#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 0.91 0.35 2.12 -2.45 -1.26 -5.19 119.30 113.79 2kfy s MET 2 Ca 0.00 -0.71 -0.05 0.00 -1.25 0.00 0.00 55.69 53.68 2kfy s MET 2 Cb 0.00 0.39 0.02 0.00 1.25 0.00 0.00 34.83 36.49 2kfy s MET 2 CO 0.00 -0.32 0.54 1.47 1.05 0.00 0.00 175.02 177.77 2kfy n LEU 3 N 0.11 0.00 0.00 4.11 -0.00 -1.26 -5.19 117.00 114.76 2kfy n LEU 3 Ca -0.17 -2.75 0.01 0.00 -0.00 0.00 0.00 56.01 53.10 2kfy n LEU 3 Cb 0.62 2.77 0.01 0.00 -0.00 0.00 0.00 43.42 46.82 2kfy n LEU 3 CO 0.20 -0.69 0.64 0.61 -0.00 0.00 0.00 177.39 178.15 2kfy n GLY 4 N -0.56 0.54 0.00 1.47 0.00 -1.26 -5.01 105.19 100.37 2kfy n GLY 4 Ca -0.01 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.54 0.43 -3.97 1.61 -0.04 -1.26 -4.82 135.00 126.41 2kfy n PRO 5 Ca 0.01 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2kfy n PRO 5 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.32 1.98 0.14 0.54 -1.05 -1.26 -5.19 118.70 111.54 2kfy s GLU 6 Ca 0.24 -1.55 -0.23 0.00 -0.15 0.00 0.00 54.97 53.27 2kfy s GLU 6 Cb 0.13 0.52 0.08 0.00 -0.44 0.00 0.00 34.13 34.42 2kfy s GLU 6 CO 0.27 -0.86 1.10 0.20 0.95 0.00 0.00 175.26 176.91 2kfy s GLY 7 N -3.14 0.08 0.00 -3.83 0.00 -1.26 -5.04 107.32 94.12 2kfy s GLY 7 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.67 2kfy s GLY 7 CO 0.15 3.38 0.00 0.61 0.00 0.00 0.00 173.10 177.24 2kfy n GLY 8 N -0.76 0.35 0.14 0.20 0.00 -1.26 -4.95 105.19 98.91 2kfy n GLY 8 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.26 0.00 -3.46 1.61 1.02 -1.26 -5.08 120.64 113.21 2kfy n GLU 9 Ca 0.00 -0.47 -0.12 0.00 -0.02 0.00 0.00 57.16 56.55 2kfy n GLU 9 Cb 0.00 -0.37 -0.03 0.00 -0.02 0.00 0.00 31.44 31.03 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 -0.20 -0.57 -1.02 0.62 0.00 -1.26 -4.92 107.32 99.97 2kfy s GLY 10 Ca 0.00 0.78 -0.05 0.00 0.00 0.00 0.00 44.72 45.45 2kfy s GLY 10 CO 0.00 0.35 2.58 0.69 0.00 0.00 0.00 173.10 176.73 2kfy n PHE 11 N -0.11 2.18 -4.16 1.90 3.72 -1.26 -4.51 117.46 115.22 2kfy n PHE 11 Ca -0.15 -2.52 -0.16 0.00 -0.05 0.00 0.00 57.45 54.57 2kfy n PHE 11 Cb 0.63 -1.72 -0.11 0.00 -0.94 0.00 0.00 39.48 37.33 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 -1.22 0.96 0.24 -4.37 1.01 -1.26 -1.82 120.40 113.94 2kfy s VAL 12 Ca 0.57 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2kfy s VAL 12 Cb 0.25 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2kfy s VAL 12 CO -0.13 -0.40 0.15 0.68 0.00 0.00 0.00 175.10 175.40 2kfy s VAL 13 N -1.83 0.12 0.31 2.92 -7.23 -0.79 -1.94 120.40 111.95 2kfy s VAL 13 Ca 0.01 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.26 2kfy s VAL 13 Cb -0.07 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2kfy s VAL 13 CO 0.01 0.00 0.14 -0.54 -0.31 0.00 0.00 175.10 174.40 2kfy s LYS 14 N -4.01 2.50 -0.00 4.82 1.02 0.85 -0.55 119.74 124.36 2kfy s LYS 14 Ca 0.39 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.98 2kfy s LYS 14 Cb 0.06 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 2kfy s LYS 14 CO 0.15 0.22 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.62 2kfy s LEU 15 N -3.82 1.87 -0.02 3.17 1.98 -0.42 -2.47 118.68 118.97 2kfy s LEU 15 Ca 0.36 -0.02 -0.12 0.00 -2.89 0.00 0.00 54.13 51.45 2kfy s LEU 15 Cb -0.05 -0.09 0.02 0.00 0.66 0.00 0.00 46.19 46.73 2kfy s LEU 15 CO 0.23 -0.00 0.26 -0.13 -1.89 0.00 0.00 176.35 174.82 2kfy s ARG 16 N 0.13 0.57 0.00 1.98 0.52 -1.14 -1.22 118.95 119.79 2kfy s ARG 16 Ca -0.01 -0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 2kfy s ARG 16 Cb -0.03 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.70 2kfy s ARG 16 CO -0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.58 2kfy n GLY 17 N 1.57 0.36 1.52 -3.53 0.00 -1.26 -0.92 105.19 102.93 2kfy n GLY 17 Ca -0.21 -1.82 0.08 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.36 -4.43 0.99 4.77 -1.21 -4.42 117.00 111.35 2kfy n LEU 18 Ca 0.00 2.62 -0.14 0.00 -0.03 0.00 0.00 56.01 58.46 2kfy n LEU 18 Cb 0.00 -3.13 -0.12 0.00 -2.33 0.00 0.00 43.42 37.84 2kfy n LEU 18 CO 0.00 -1.41 1.47 -2.65 -1.33 0.00 0.00 177.39 173.46 2kfy n PRO 19 N -3.43 0.17 -0.39 3.23 -0.02 -1.26 -3.74 135.00 129.55 2kfy n PRO 19 Ca -0.04 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 60.94 2kfy n PRO 19 Cb 0.57 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2kfy n PRO 19 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2kfy n TRP 20 N 11.20 0.00 -3.57 6.00 5.03 -1.26 -4.85 117.44 129.98 2kfy n TRP 20 Ca 0.44 0.00 -0.11 0.00 3.03 0.00 0.00 57.50 60.86 2kfy n TRP 20 Cb 0.34 -1.16 -0.04 0.00 -1.03 0.00 0.00 31.31 29.42 2kfy n TRP 20 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2kfy s SER 21 N -1.08 -0.33 0.28 -0.99 0.15 -1.25 -3.33 113.70 107.15 2kfy s SER 21 Ca 0.00 -0.20 -0.21 0.00 0.70 0.00 0.00 55.95 56.24 2kfy s SER 21 Cb 0.00 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 2kfy s SER 21 CO 0.00 -0.87 0.78 0.00 1.20 0.00 0.00 173.24 174.35 2kfy s SER 23 N -2.97 0.17 0.59 0.00 0.15 -1.26 -5.02 113.70 105.37 2kfy s SER 23 Ca 0.12 -1.15 0.37 0.00 0.70 0.00 0.00 55.95 56.00 2kfy s SER 23 Cb -0.05 0.38 1.83 0.00 -1.71 0.00 0.00 66.02 66.47 2kfy s SER 23 CO 0.07 -0.83 2.17 -0.37 1.20 0.00 0.00 173.24 175.48 2kfy h VAL 24 N 2.68 0.13 0.00 4.45 -1.51 -1.97 -2.00 116.25 118.02 2kfy h VAL 24 Ca -0.34 -0.30 -0.11 0.00 -1.23 0.00 0.00 66.70 64.72 2kfy h VAL 24 Cb 1.22 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 31.63 2kfy h VAL 24 CO 0.53 0.03 -0.71 -0.33 -1.23 0.00 0.00 177.57 175.85 2kfy h GLU 25 N 0.00 0.00 0.18 5.19 5.08 -1.95 -2.98 114.58 120.09 2kfy h GLU 25 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 2kfy h GLU 25 Cb 0.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 2kfy h GLU 25 CO 0.00 0.43 -1.62 -0.44 -1.00 0.00 0.00 179.01 176.38 2kfy h ASP 26 N 0.00 0.59 -0.06 1.42 3.32 -1.78 -2.84 116.42 117.07 2kfy h ASP 26 Ca -0.04 -0.80 -0.11 0.00 0.02 0.00 0.00 57.03 56.10 2kfy h ASP 26 Cb 1.41 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2kfy h ASP 26 CO 0.06 1.66 -0.31 1.62 -1.72 0.00 0.00 179.24 180.55 2kfy h VAL 27 N 0.10 1.28 0.00 -1.35 3.04 -1.53 -1.77 116.25 116.03 2kfy h VAL 27 Ca -0.29 -1.39 -0.10 0.00 -1.01 0.00 0.00 66.70 63.91 2kfy h VAL 27 Cb 2.09 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 32.77 2kfy h VAL 27 CO 0.20 0.44 -0.50 0.06 -1.01 0.00 0.00 177.57 176.76 2kfy h GLN 28 N 0.45 0.00 0.00 4.17 3.07 -1.65 -1.23 115.11 119.93 2kfy h GLN 28 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 2kfy h GLN 28 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.32 2kfy h GLN 28 CO 0.06 0.50 0.00 -0.97 0.09 0.00 0.00 178.83 178.51 2kfy h ASN 29 N 0.00 0.00 0.00 0.06 -1.24 -1.16 -3.29 115.58 109.95 2kfy h ASN 29 Ca -0.00 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.85 2kfy h ASN 29 Cb 1.19 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.21 2kfy h ASN 29 CO 0.06 0.00 -1.75 0.33 -1.29 0.00 0.00 177.43 174.78 2kfy n PHE 30 N -2.45 0.00 -1.36 0.67 7.35 -0.72 -4.47 117.46 116.48 2kfy n PHE 30 Ca 0.02 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.48 2kfy n PHE 30 Cb 0.27 -0.50 -0.09 0.00 0.35 0.00 0.00 39.48 39.51 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 -2.29 6.22 0.00 -2.13 4.32 -0.49 -4.73 117.00 117.89 2kfy n LEU 31 Ca -0.14 -3.84 0.00 0.00 -0.02 0.00 0.00 56.01 52.00 2kfy n LEU 31 Cb 0.72 -1.30 0.01 0.00 -1.62 0.00 0.00 43.42 41.23 2kfy n LEU 31 CO 0.26 1.74 0.13 -1.20 -1.22 0.00 0.00 177.39 177.10 2kfy n SER 32 N 1.45 0.00 0.00 -1.43 7.64 -1.26 -1.30 113.62 118.72 2kfy n SER 32 Ca 0.48 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2kfy n SER 32 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2kfy n SER 32 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kfy n ASP 33 N -0.51 0.42 -4.04 6.43 8.00 -1.26 -5.11 116.55 120.47 2kfy n ASP 33 Ca 0.00 -1.16 -0.24 0.00 0.71 0.00 0.00 54.79 54.10 2kfy n ASP 33 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 -3.28 1.00 -0.36 0.00 2.01 -1.26 -5.00 115.64 108.75 2kfy s THR 35 Ca 0.27 -1.25 0.05 0.00 0.31 0.00 0.00 61.69 61.07 2kfy s THR 35 Cb 0.03 -0.98 0.45 0.00 0.01 0.00 0.00 72.50 72.01 2kfy s THR 35 CO 0.16 -0.25 1.31 -0.38 -0.69 0.00 0.00 174.62 174.77 2kfy n ILE 36 N 1.33 2.68 0.00 1.82 5.41 -1.26 -3.83 119.36 125.51 2kfy n ILE 36 Ca -0.21 -4.12 0.00 0.00 1.00 0.00 0.00 62.75 59.42 2kfy n ILE 36 Cb 0.54 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 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 -0.71 0.00 0.00 1.39 -0.00 -1.19 -2.75 115.22 111.95 2kfy n HIS 37 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.18 2kfy n HIS 37 Cb 0.89 -0.49 0.00 0.00 -0.00 0.00 0.00 29.99 30.39 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 -4.93 116.55 118.61 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 -0.63 3.33 0.06 0.44 0.00 -1.11 -4.73 105.19 102.55 2kfy n GLY 39 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 1.13 -1.08 4.61 0.00 -1.26 -4.81 120.51 119.09 2kfy n ALA 40 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.08 2kfy n ALA 40 Cb 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 1.97 -0.40 0.00 0.00 -1.26 -4.61 120.51 116.21 2kfy n ALA 41 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.84 2kfy n ALA 41 Cb 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.69 0.05 3.81 0.00 0.00 -1.23 -4.82 105.19 102.31 2kfy n GLY 42 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.30 3.88 0.14 1.61 0.11 -1.26 -1.89 120.40 122.69 2kfy s VAL 43 Ca 0.00 0.61 -0.14 0.00 -2.93 0.00 0.00 61.98 59.52 2kfy s VAL 43 Cb 0.00 -3.32 0.02 0.00 -1.53 0.00 0.00 36.38 31.55 2kfy s VAL 43 CO 0.00 -0.80 0.37 -1.00 -3.33 0.00 0.00 175.10 170.34 2kfy s HIS 44 N -3.03 -0.03 0.20 1.54 3.76 -0.83 -4.93 115.29 111.95 2kfy s HIS 44 Ca 0.59 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 55.10 2kfy s HIS 44 Cb -0.14 0.18 -0.02 0.00 1.11 0.00 0.00 32.58 33.70 2kfy s HIS 44 CO 0.55 -0.71 0.29 -0.06 -0.85 0.00 0.00 174.74 173.96 2kfy s PHE 45 N -3.85 0.62 0.00 1.40 0.08 -1.26 -2.82 117.98 112.15 2kfy s PHE 45 Ca 0.07 -0.95 0.04 0.00 0.12 0.00 0.00 56.93 56.21 2kfy s PHE 45 Cb 0.02 -0.14 -0.01 0.00 -0.57 0.00 0.00 43.02 42.31 2kfy s PHE 45 CO -0.08 -0.77 -0.14 0.42 -0.10 0.00 0.00 175.22 174.55 2kfy s ILE 46 N -4.04 1.07 0.29 0.64 1.01 -1.01 -4.91 121.20 114.26 2kfy s ILE 46 Ca 0.25 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 2kfy s ILE 46 Cb 0.03 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.61 2kfy s ILE 46 CO 0.06 0.23 0.71 -0.72 0.00 0.00 0.00 174.94 175.23 2kfy s TYR 47 N -0.44 -0.10 0.27 3.97 -0.85 -1.26 -3.74 117.35 115.20 2kfy s TYR 47 Ca 0.04 -0.38 -0.04 0.00 -0.52 0.00 0.00 57.07 56.17 2kfy s TYR 47 Cb -0.06 0.69 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 2kfy s TYR 47 CO -0.00 -1.27 0.37 0.95 -1.52 0.00 0.00 175.55 174.07 2kfy s THR 48 N -3.69 0.00 -2.00 -3.49 -4.23 -1.26 -4.69 115.64 96.28 2kfy s THR 48 Ca 0.12 -1.68 0.18 0.00 -1.18 0.00 0.00 61.69 59.13 2kfy s THR 48 Cb -0.05 -2.46 0.51 0.00 1.34 0.00 0.00 72.50 71.84 2kfy s THR 48 CO 0.08 0.00 1.50 -2.11 -0.54 0.00 0.00 174.62 173.55 2kfy n ARG 49 N -0.43 0.66 -2.42 3.99 -4.01 -1.26 -3.43 116.66 109.75 2kfy n ARG 49 Ca 0.01 0.00 -0.03 0.00 -1.04 0.00 0.00 57.85 56.79 2kfy n ARG 49 Cb 0.63 -1.43 0.10 0.00 -3.04 0.00 0.00 32.46 28.72 2kfy n ARG 49 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2kfy n GLU 50 N -0.93 1.16 0.00 2.89 2.13 -1.26 -5.11 120.64 119.51 2kfy n GLU 50 Ca 0.14 -1.14 0.00 0.00 0.66 0.00 0.00 57.16 56.81 2kfy n GLU 50 Cb 0.06 0.43 0.00 0.00 0.27 0.00 0.00 31.44 32.20 2kfy n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kfy n GLY 51 N -1.32 1.37 0.06 8.31 0.00 -1.22 -5.05 105.19 107.33 2kfy n GLY 51 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2kfy n GLY 51 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kfy n ARG 52 N 0.00 0.00 -0.21 1.61 0.00 -1.26 -4.99 116.66 111.81 2kfy n ARG 52 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.85 57.33 2kfy n ARG 52 Cb 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 32.46 31.99 2kfy n ARG 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2kfy n GLN 53 N 0.00 0.00 -3.51 2.89 1.13 -1.26 -4.82 117.38 111.81 2kfy n GLN 53 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 2kfy n GLN 53 Cb 0.52 -3.85 -0.02 0.00 0.11 0.00 0.00 30.24 27.00 2kfy n GLN 53 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2kfy s SER 54 N -1.80 -0.35 0.00 1.08 0.15 -1.25 -4.67 113.70 106.87 2kfy s SER 54 Ca 0.00 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2kfy s SER 54 Cb 0.00 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2kfy s SER 54 CO 0.00 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.46 2kfy n GLY 55 N -0.23 0.48 3.17 9.45 0.00 -1.21 -4.65 105.19 112.20 2kfy n GLY 55 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2kfy n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kfy s GLU 56 N 0.00 0.73 0.26 1.61 2.02 -1.26 -4.16 118.70 117.90 2kfy s GLU 56 Ca 0.00 -0.80 -0.21 0.00 0.02 0.00 0.00 54.97 53.98 2kfy s GLU 56 Cb 0.00 0.29 0.05 0.00 0.10 0.00 0.00 34.13 34.58 2kfy s GLU 56 CO 0.00 -0.21 0.87 0.00 0.02 0.00 0.00 175.26 175.94 2kfy s ALA 57 N -3.12 -1.28 0.18 5.21 0.00 -0.36 -2.40 121.76 119.99 2kfy s ALA 57 Ca -0.01 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.65 2kfy s ALA 57 Cb 0.02 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 2kfy s ALA 57 CO -0.07 -1.03 -0.05 -0.06 0.00 0.00 0.00 175.76 174.55 2kfy s PHE 58 N -2.89 1.34 -0.20 0.00 0.08 -1.13 -1.30 117.98 113.89 2kfy s PHE 58 Ca 0.15 -0.87 -0.04 0.00 0.12 0.00 0.00 56.93 56.29 2kfy s PHE 58 Cb -0.04 -0.74 0.09 0.00 -0.57 0.00 0.00 43.02 41.76 2kfy s PHE 58 CO 0.07 -0.02 0.19 0.08 -0.10 0.00 0.00 175.22 175.43 2kfy s VAL 59 N -3.43 -0.25 0.48 -0.44 1.01 0.28 -1.97 120.40 116.08 2kfy s VAL 59 Ca 0.22 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 2kfy s VAL 59 Cb 0.04 -0.68 -0.08 0.00 0.00 0.00 0.00 36.38 35.66 2kfy s VAL 59 CO 0.04 -0.27 1.07 -1.61 0.00 0.00 0.00 175.10 174.33 2kfy s GLU 60 N 2.27 3.75 0.06 2.72 2.02 -0.79 -1.89 118.70 126.84 2kfy s GLU 60 Ca 0.06 1.48 0.00 0.00 0.02 0.00 0.00 54.97 56.53 2kfy s GLU 60 Cb -0.16 -2.17 -0.00 0.00 0.10 0.00 0.00 34.13 31.90 2kfy s GLU 60 CO -0.14 -0.49 0.01 1.28 0.02 0.00 0.00 175.26 175.95 2kfy n LEU 61 N -0.87 0.00 -0.10 1.80 4.77 -0.75 -3.19 117.00 118.66 2kfy n LEU 61 Ca 0.09 -0.45 -0.11 0.00 -0.03 0.00 0.00 56.01 55.51 2kfy n LEU 61 Cb 0.51 0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.58 2kfy n LEU 61 CO 0.42 -0.07 -1.14 0.61 -1.33 0.00 0.00 177.39 175.88 2kfy n GLY 62 N 2.61 -0.78 3.61 -0.72 0.00 -1.25 -4.11 105.19 104.55 2kfy n GLY 62 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -5.50 -0.06 0.52 1.61 0.01 -1.26 -5.03 113.70 103.99 2kfy s SER 63 Ca -0.14 -0.93 0.17 0.00 1.31 0.00 0.00 55.95 56.36 2kfy s SER 63 Cb 0.06 0.61 1.28 0.00 0.21 0.00 0.00 66.02 68.18 2kfy s SER 63 CO 0.71 -1.17 2.12 -0.08 0.41 0.00 0.00 173.24 175.23 2kfy h GLU 64 N 2.22 0.02 0.00 12.44 4.81 -1.96 -1.51 114.58 130.61 2kfy h GLU 64 Ca -0.26 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 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 0.35 0.01 -0.30 0.22 -0.73 0.00 0.00 179.01 178.56 2kfy h ASP 65 N 0.02 0.00 0.34 1.04 3.58 -1.99 -2.05 116.42 117.36 2kfy h ASP 65 Ca 0.05 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.20 2kfy h ASP 65 Cb 0.18 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.26 2kfy h ASP 65 CO -0.00 0.30 -1.29 0.44 -2.88 0.00 0.00 179.24 175.81 2kfy h ASP 66 N 0.00 0.70 -0.44 2.28 3.32 -1.65 -2.41 116.42 118.22 2kfy h ASP 66 Ca -0.00 -0.70 -0.11 0.00 0.02 0.00 0.00 57.03 56.24 2kfy h ASP 66 Cb 0.66 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2kfy h ASP 66 CO 0.04 1.53 -0.14 1.62 -1.72 0.00 0.00 179.24 180.57 2kfy h VAL 67 N 0.17 1.27 -0.38 -1.35 3.04 -1.34 0.16 116.25 117.82 2kfy h VAL 67 Ca -0.18 -1.27 -0.01 0.00 -1.01 0.00 0.00 66.70 64.23 2kfy h VAL 67 Cb 1.98 1.18 -0.02 0.00 -2.01 0.00 0.00 31.29 32.43 2kfy h VAL 67 CO 0.23 0.43 0.21 0.11 -1.01 0.00 0.00 177.57 177.54 2kfy h LYS 68 N 0.70 0.53 0.00 4.17 1.57 -1.45 -2.75 116.57 119.34 2kfy h LYS 68 Ca 0.11 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2kfy h LYS 68 Cb 0.69 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2kfy h LYS 68 CO 0.05 0.43 -0.42 0.52 -0.57 0.00 0.00 179.45 179.46 2kfy h MET 69 N 0.48 0.00 0.00 3.15 2.86 -1.29 -2.62 114.93 117.51 2kfy h MET 69 Ca 0.13 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 2kfy h MET 69 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2kfy h MET 69 CO -0.02 0.42 -0.43 0.00 1.06 0.00 0.00 176.91 177.94 2kfy h ALA 70 N 1.58 1.29 0.00 6.32 0.00 -0.78 -2.61 119.26 125.06 2kfy h ALA 70 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kfy h ALA 70 Cb 0.89 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kfy h ALA 70 CO 0.05 0.53 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 2kfy h LEU 71 N 0.00 0.00 0.00 0.00 3.38 -1.18 -3.20 115.31 114.31 2kfy h LEU 71 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kfy h LEU 71 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2kfy h LEU 71 CO 0.06 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.88 2kfy n LYS 72 N -2.77 0.10 -0.46 1.13 4.76 -0.98 -2.64 118.16 117.29 2kfy n LYS 72 Ca 0.04 0.21 0.05 0.00 -2.87 0.00 0.00 58.31 55.75 2kfy n LYS 72 Cb 0.46 -1.50 0.09 0.00 -1.84 0.00 0.00 35.03 32.24 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 -1.40 0.74 0.00 1.97 0.00 -1.21 -4.91 118.16 113.36 2kfy n LYS 73 Ca 0.05 -2.09 0.00 0.00 -0.00 0.00 0.00 58.31 56.27 2kfy n LYS 73 Cb 0.14 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 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 -0.68 0.00 -0.09 -5.58 5.68 -1.08 -1.45 116.55 113.34 2kfy n ASP 74 Ca 0.10 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 2kfy n ASP 74 Cb 0.73 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 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 -0.73 0.00 0.00 0.11 0.63 -1.25 -2.77 116.66 112.65 2kfy n ARG 75 Ca 0.00 -0.25 0.00 0.00 -0.92 0.00 0.00 57.85 56.68 2kfy n ARG 75 Cb 0.01 -0.21 0.00 0.00 0.45 0.00 0.00 32.46 32.71 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 0.37 -3.93 -0.14 -0.58 -0.53 -4.50 120.64 111.33 2kfy n GLU 76 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 2kfy n GLU 76 Cb 0.52 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.28 2kfy n GLU 76 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kfy s SER 77 N -1.40 0.15 0.00 1.62 0.15 -1.26 -0.55 113.70 112.41 2kfy s SER 77 Ca 0.00 -0.38 0.22 0.00 0.70 0.00 0.00 55.95 56.48 2kfy s SER 77 Cb 0.00 0.15 0.93 0.00 -1.71 0.00 0.00 66.02 65.39 2kfy s SER 77 CO 0.00 -0.34 1.69 0.23 1.20 0.00 0.00 173.24 176.02 2kfy n MET 78 N 1.50 0.02 0.00 5.44 2.81 -1.06 -4.83 117.12 121.00 2kfy n MET 78 Ca -0.23 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 2kfy n MET 78 Cb 0.55 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 0.71 1.27 0.00 3.03 0.00 -1.26 -4.92 105.19 104.02 2kfy n GLY 79 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.60 1.61 8.25 -1.26 -5.12 115.22 115.09 2kfy n HIS 80 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 2kfy n HIS 80 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 0.89 0.28 -0.41 6.06 -1.26 -5.16 118.95 119.35 2kfy s ARG 81 Ca 0.00 0.49 -0.29 0.00 -2.50 0.00 0.00 55.73 53.43 2kfy s ARG 81 Cb 0.00 0.42 -0.10 0.00 0.06 0.00 0.00 34.95 35.34 2kfy s ARG 81 CO 0.00 -0.21 1.20 -0.47 -2.50 0.00 0.00 175.30 173.32 2kfy s TYR 82 N -0.54 3.35 0.26 5.12 5.04 -1.26 -2.57 117.35 126.74 2kfy s TYR 82 Ca -0.06 1.53 0.05 0.00 -2.44 0.00 0.00 57.07 56.15 2kfy s TYR 82 Cb -0.03 -3.47 -0.05 0.00 0.35 0.00 0.00 41.96 38.77 2kfy s TYR 82 CO 0.05 -1.18 -0.03 0.42 -1.34 0.00 0.00 175.55 173.47 2kfy s ILE 83 N -0.94 1.33 0.03 3.14 -1.09 0.29 -3.28 121.20 120.67 2kfy s ILE 83 Ca 0.48 -2.07 -0.06 0.00 -2.23 0.00 0.00 60.65 56.77 2kfy s ILE 83 Cb -0.35 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.12 2kfy s ILE 83 CO 0.45 -0.31 0.10 -1.61 -1.23 0.00 0.00 174.94 172.33 2kfy s GLU 84 N -3.80 0.55 -0.03 2.79 2.02 -0.10 -3.63 118.70 116.49 2kfy s GLU 84 Ca 0.29 -0.66 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 2kfy s GLU 84 Cb 0.05 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.51 2kfy s GLU 84 CO 0.10 -0.13 0.08 0.08 0.02 0.00 0.00 175.26 175.41 2kfy s VAL 85 N -2.25 -0.02 0.07 2.63 1.01 -1.12 -2.87 120.40 117.85 2kfy s VAL 85 Ca -0.08 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.01 2kfy s VAL 85 Cb -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 2kfy s VAL 85 CO -0.03 0.03 -0.11 0.12 0.00 0.00 0.00 175.10 175.11 2kfy s PHE 86 N 0.43 0.96 0.34 5.22 2.19 -1.03 -4.60 117.98 121.50 2kfy s PHE 86 Ca -0.03 -0.53 -0.26 0.00 0.33 0.00 0.00 56.93 56.44 2kfy s PHE 86 Cb -0.05 -0.55 -0.10 0.00 -1.31 0.00 0.00 43.02 41.02 2kfy s PHE 86 CO -0.02 -0.01 0.99 0.21 1.83 0.00 0.00 175.22 178.22 2kfy s LYS 87 N -1.94 4.46 0.31 10.12 2.20 -1.26 -0.10 119.74 133.53 2kfy s LYS 87 Ca -0.03 1.42 0.07 0.00 -0.36 0.00 0.00 55.97 57.07 2kfy s LYS 87 Cb -0.08 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.46 2kfy s LYS 87 CO 0.01 0.15 0.28 0.45 -0.36 0.00 0.00 175.35 175.87 2kfy n SER 88 N 0.41 -0.71 -0.10 1.43 2.88 -0.82 -4.70 113.62 112.01 2kfy n SER 88 Ca 0.03 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.51 2kfy n SER 88 Cb 0.50 1.64 0.00 0.00 -0.75 0.00 0.00 64.21 65.59 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 -0.60 0.00 0.00 0.66 1.44 -1.26 -4.30 115.22 111.17 2kfy n HIS 89 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 2kfy n HIS 89 Cb 0.57 0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.75 2kfy n HIS 89 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2kfy n ARG 90 N 0.00 0.00 -0.15 -1.40 0.63 -1.26 -4.03 116.66 110.45 2kfy n ARG 90 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 2kfy n ARG 90 Cb 0.52 -0.41 0.07 0.00 0.45 0.00 0.00 32.46 33.08 2kfy n ARG 90 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2kfy h THR 91 N 0.00 1.26 -0.40 5.15 2.02 -1.96 -0.62 112.91 118.36 2kfy h THR 91 Ca 0.00 -1.20 -0.13 0.00 0.77 0.00 0.00 66.41 65.85 2kfy h THR 91 Cb 0.00 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2kfy h THR 91 CO 0.00 0.42 -0.24 -0.08 0.37 0.00 0.00 175.52 175.99 2kfy h GLU 92 N 0.85 0.88 -0.51 6.66 4.81 -2.00 -2.93 114.58 122.33 2kfy h GLU 92 Ca 0.14 -0.40 0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2kfy h GLU 92 Cb 0.61 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 2kfy h GLU 92 CO 0.04 1.05 0.33 1.98 -0.73 0.00 0.00 179.01 181.67 2kfy h MET 93 N 0.69 0.64 0.00 1.92 4.05 -1.85 -2.13 114.93 118.25 2kfy h MET 93 Ca 0.08 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 2kfy h MET 93 Cb 0.81 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 2kfy h MET 93 CO 0.07 0.42 -0.28 0.22 0.23 0.00 0.00 176.91 177.57 2kfy h ASP 94 N 0.66 0.00 0.27 1.39 3.58 -1.12 -2.68 116.42 118.52 2kfy h ASP 94 Ca 0.19 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2kfy h ASP 94 Cb -0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2kfy h ASP 94 CO -0.06 0.28 -0.13 -0.25 -2.88 0.00 0.00 179.24 176.21 2kfy h TRP 95 N 0.00 -0.33 0.00 0.28 7.01 -1.21 -3.28 115.95 118.42 2kfy h TRP 95 Ca -0.00 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.92 2kfy h TRP 95 Cb 0.50 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 2kfy h TRP 95 CO 0.00 -0.05 -0.34 -0.24 -2.79 0.00 0.00 178.44 175.02 2kfy h VAL 96 N -1.01 0.85 0.00 2.65 3.04 -1.51 0.00 116.25 120.27 2kfy h VAL 96 Ca -0.04 -1.40 0.00 0.00 -1.01 0.00 0.00 66.70 64.25 2kfy h VAL 96 Cb 0.43 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2kfy h VAL 96 CO 0.06 0.34 0.00 0.18 -1.01 0.00 0.00 177.57 177.14 2kfy n LEU 97 N -3.56 0.00 0.00 3.16 7.99 -1.01 -2.76 117.00 120.82 2kfy n LEU 97 Ca -0.00 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 2kfy n LEU 97 Cb 0.48 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 2kfy n LEU 97 CO 0.36 -0.18 0.22 0.29 -1.51 0.00 0.00 177.39 176.57 2kfy n LYS 98 N -1.37 0.13 -0.13 3.23 5.02 -0.72 -4.86 118.16 119.45 2kfy n LYS 98 Ca 0.06 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 2kfy n LYS 98 Cb 0.14 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 2kfy n LYS 98 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2kfy n HIS 99 N -0.02 0.00 -0.95 2.13 -0.00 -0.09 -5.05 115.22 111.24 2kfy n HIS 99 Ca 0.00 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.85 2kfy n HIS 99 Cb 0.44 0.08 0.14 0.00 -0.12 0.00 0.00 29.99 30.53 2kfy n HIS 99 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2kfy n SER 100 N 0.00 0.45 0.00 0.26 3.41 -1.11 -4.93 113.62 111.70 2kfy n SER 100 Ca 0.00 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2kfy n SER 100 Cb 0.53 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2kfy n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfy n GLY 101 N 0.59 -0.59 0.00 5.00 0.00 -1.26 -4.95 105.19 103.98 2kfy n GLY 101 Ca 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27