#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 1.78 1.06 2.12 0.00 -1.26 -4.96 119.30 118.04 2kfy s MET 2 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 55.69 54.28 2kfy s MET 2 Cb 0.00 0.53 0.22 0.00 0.00 0.00 0.00 34.83 35.58 2kfy s MET 2 CO 0.00 -0.78 1.07 -0.51 0.00 0.00 0.00 175.02 174.80 2kfy s LEU 3 N -3.03 1.40 0.02 0.18 1.43 -1.26 -4.95 118.68 112.47 2kfy s LEU 3 Ca 0.19 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 2kfy s LEU 3 Cb -0.03 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2kfy s LEU 3 CO 0.11 -3.55 0.00 0.61 0.23 0.00 0.00 176.35 173.74 2kfy n GLY 4 N -0.21 -0.44 0.27 -3.19 0.00 -1.26 -4.93 105.19 95.43 2kfy n GLY 4 Ca 0.05 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.33 2kfy n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kfy h PRO 5 N 0.00 0.00 -3.30 1.61 0.11 -2.09 -3.44 132.00 124.89 2kfy h PRO 5 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2kfy h PRO 5 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 2kfy h PRO 5 CO 0.00 0.00 0.11 -2.00 -0.21 0.00 0.00 178.00 175.90 2kfy s GLU 6 N -3.86 1.89 0.14 1.05 2.12 -1.26 -5.20 118.70 113.58 2kfy s GLU 6 Ca -0.03 -1.29 -0.12 0.00 0.36 0.00 0.00 54.97 53.89 2kfy s GLU 6 Cb 0.09 0.56 0.04 0.00 0.26 0.00 0.00 34.13 35.08 2kfy s GLU 6 CO 0.27 -0.85 0.57 0.41 -0.54 0.00 0.00 175.26 175.12 2kfy n GLY 7 N -0.48 1.03 3.89 -1.50 0.00 -1.26 -4.84 105.19 102.03 2kfy n GLY 7 Ca -0.04 -1.08 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 2kfy n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfy s GLY 8 N -2.64 0.18 0.00 -0.02 0.00 -1.24 -5.05 107.32 98.55 2kfy s GLY 8 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.41 2kfy s GLY 8 CO 0.04 2.42 0.00 -1.84 0.00 0.00 0.00 173.10 173.72 2kfy n GLU 9 N -0.71 0.00 -3.12 2.90 0.28 -1.24 -4.83 120.64 113.92 2kfy n GLU 9 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2kfy n GLU 9 Cb 0.59 -0.12 0.00 0.00 1.43 0.00 0.00 31.44 33.35 2kfy n GLU 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kfy n GLY 10 N 0.00 -1.26 2.19 -1.84 0.00 -1.19 -4.62 105.19 98.46 2kfy n GLY 10 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 2kfy n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kfy n PHE 11 N 1.00 -0.07 -3.85 1.61 3.01 -1.26 -4.80 117.46 113.11 2kfy n PHE 11 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 2kfy n PHE 11 Cb 0.00 -1.58 -0.10 0.00 -0.01 0.00 0.00 39.48 37.79 2kfy n PHE 11 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2kfy s VAL 12 N -2.27 0.07 0.03 -4.37 1.01 -1.26 0.39 120.40 114.00 2kfy s VAL 12 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2kfy s VAL 12 Cb 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 2kfy s VAL 12 CO 0.00 -0.30 0.03 0.68 0.00 0.00 0.00 175.10 175.51 2kfy s VAL 13 N -1.15 0.15 0.50 2.92 -7.23 -0.47 -1.72 120.40 113.39 2kfy s VAL 13 Ca -0.12 -1.20 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 2kfy s VAL 13 Cb -0.06 -0.85 -0.06 0.00 0.56 0.00 0.00 36.38 35.96 2kfy s VAL 13 CO 0.02 -0.66 0.90 -0.54 -0.31 0.00 0.00 175.10 174.51 2kfy s LYS 14 N -2.56 3.78 -0.04 4.82 1.02 0.11 -0.45 119.74 126.41 2kfy s LYS 14 Ca -0.05 0.68 -0.02 0.00 0.02 0.00 0.00 55.97 56.59 2kfy s LYS 14 Cb -0.02 -2.23 0.03 0.00 -0.52 0.00 0.00 37.83 35.09 2kfy s LYS 14 CO -0.05 -0.25 0.09 -1.17 -0.92 0.00 0.00 175.35 173.05 2kfy s LEU 15 N -4.30 1.15 0.03 3.17 1.98 -0.35 -2.76 118.68 117.61 2kfy s LEU 15 Ca 0.54 0.18 -0.20 0.00 -2.89 0.00 0.00 54.13 51.77 2kfy s LEU 15 Cb -0.10 0.22 0.04 0.00 0.66 0.00 0.00 46.19 47.01 2kfy s LEU 15 CO 0.37 -0.10 0.45 0.00 -1.89 0.00 0.00 176.35 175.19 2kfy s ARG 16 N 0.76 0.94 0.00 1.98 1.70 -1.15 -1.15 118.95 122.02 2kfy s ARG 16 Ca -0.06 -0.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 2kfy s ARG 16 Cb -0.08 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 2kfy s ARG 16 CO -0.03 -0.32 0.00 0.41 -1.08 0.00 0.00 175.30 174.28 2kfy n GLY 17 N 0.59 0.77 1.48 3.88 0.00 -1.26 -1.49 105.19 109.15 2kfy n GLY 17 Ca -0.19 -1.86 0.18 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.04 -4.05 0.99 4.77 -1.19 -4.40 117.00 112.08 2kfy n LEU 18 Ca 0.00 2.41 -0.15 0.00 -0.03 0.00 0.00 56.01 58.24 2kfy n LEU 18 Cb 0.00 -3.50 -0.06 0.00 -2.33 0.00 0.00 43.42 37.53 2kfy n LEU 18 CO 0.00 -2.39 1.03 -2.65 -1.33 0.00 0.00 177.39 172.05 2kfy n PRO 19 N -4.40 0.03 -0.50 3.23 -0.02 -1.26 -4.00 135.00 128.08 2kfy n PRO 19 Ca -0.09 -0.75 0.00 0.00 -2.02 0.00 0.00 63.50 60.65 2kfy n PRO 19 Cb 0.70 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 10.01 0.00 -3.53 6.00 5.03 -1.26 -4.87 117.44 128.83 2kfy n TRP 20 Ca 0.23 0.00 -0.14 0.00 3.03 0.00 0.00 57.50 60.63 2kfy n TRP 20 Cb 0.42 -1.32 -0.04 0.00 -1.03 0.00 0.00 31.31 29.34 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 -1.26 -0.50 0.35 -0.99 0.15 -1.26 -4.51 113.70 105.69 2kfy s SER 21 Ca 0.00 0.19 -0.16 0.00 0.70 0.00 0.00 55.95 56.67 2kfy s SER 21 Cb 0.00 0.53 0.06 0.00 -1.71 0.00 0.00 66.02 64.90 2kfy s SER 21 CO 0.00 -0.78 0.84 0.00 1.20 0.00 0.00 173.24 174.50 2kfy s SER 23 N -3.15 0.17 0.60 0.00 1.04 -1.26 -5.04 113.70 106.07 2kfy s SER 23 Ca 0.17 -1.23 0.37 0.00 0.48 0.00 0.00 55.95 55.75 2kfy s SER 23 Cb -0.05 0.49 1.85 0.00 0.10 0.00 0.00 66.02 68.42 2kfy s SER 23 CO 0.11 -1.01 2.17 -0.37 0.98 0.00 0.00 173.24 175.12 2kfy h VAL 24 N 2.41 0.11 0.00 5.02 -1.51 -1.97 -2.19 116.25 118.12 2kfy h VAL 24 Ca -0.31 -0.29 -0.18 0.00 -1.23 0.00 0.00 66.70 64.69 2kfy h VAL 24 Cb 1.25 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 31.64 2kfy h VAL 24 CO 0.44 0.02 -0.91 -0.33 -1.23 0.00 0.00 177.57 175.57 2kfy h GLU 25 N 0.00 0.00 0.13 5.19 5.08 -1.96 -2.87 114.58 120.15 2kfy h GLU 25 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 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 0.75 -1.23 -0.44 -1.00 0.00 0.00 179.01 177.09 2kfy h ASP 26 N 0.00 0.58 0.00 1.42 3.32 -1.81 -2.79 116.42 117.14 2kfy h ASP 26 Ca -0.04 -0.58 -0.18 0.00 0.02 0.00 0.00 57.03 56.25 2kfy h ASP 26 Cb 1.65 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 41.01 2kfy h ASP 26 CO 0.10 1.43 -0.64 1.62 -1.72 0.00 0.00 179.24 180.03 2kfy h VAL 27 N 0.14 1.32 0.00 -1.35 3.04 -1.57 -2.05 116.25 115.78 2kfy h VAL 27 Ca -0.15 -1.91 -0.06 0.00 -1.01 0.00 0.00 66.70 63.57 2kfy h VAL 27 Cb 1.93 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 33.08 2kfy h VAL 27 CO 0.21 0.59 -0.28 0.06 -1.01 0.00 0.00 177.57 177.15 2kfy h GLN 28 N 0.45 0.00 0.00 4.17 3.07 -1.61 -0.90 115.11 120.30 2kfy h GLN 28 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 2kfy h GLN 28 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.77 2kfy h GLN 28 CO 0.12 0.28 -0.19 -0.97 0.09 0.00 0.00 178.83 178.17 2kfy h ASN 29 N 0.00 0.00 0.06 0.06 -1.24 -1.19 -3.31 115.58 109.96 2kfy h ASN 29 Ca -0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.79 2kfy h ASN 29 Cb 0.83 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.84 2kfy h ASN 29 CO 0.04 0.19 -2.16 0.33 -1.29 0.00 0.00 177.43 174.53 2kfy n PHE 30 N -3.32 0.08 -2.29 0.67 7.35 -0.80 -4.28 117.46 114.88 2kfy n PHE 30 Ca 0.00 0.03 -0.38 0.00 -0.76 0.00 0.00 57.45 56.35 2kfy n PHE 30 Cb 0.42 -0.82 0.02 0.00 0.35 0.00 0.00 39.48 39.46 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 -2.58 6.88 0.00 -2.13 7.99 -0.40 -4.84 117.00 121.92 2kfy n LEU 31 Ca -0.20 -5.12 0.00 0.00 -0.01 0.00 0.00 56.01 50.68 2kfy n LEU 31 Cb 0.91 -0.98 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 2kfy n LEU 31 CO 0.44 1.96 0.09 -1.54 -1.51 0.00 0.00 177.39 176.83 2kfy n SER 32 N -0.37 0.00 0.00 -1.43 3.41 -1.24 -1.12 113.62 112.87 2kfy n SER 32 Ca 0.48 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2kfy n SER 32 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.51 1.07 -4.60 4.04 8.00 -1.26 -5.08 116.55 118.21 2kfy n ASP 33 Ca 0.00 -1.34 -0.24 0.00 0.71 0.00 0.00 54.79 53.92 2kfy n ASP 33 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kfy n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfy n THR 35 N -1.67 0.00 -2.38 0.00 -1.04 -1.26 -5.02 114.28 102.91 2kfy n THR 35 Ca -0.02 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.05 61.58 2kfy n THR 35 Cb 0.58 0.81 -0.01 0.00 -1.82 0.00 0.00 70.33 69.88 2kfy n THR 35 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2kfy n ILE 36 N -0.95 -0.60 0.00 12.58 5.41 -1.26 -1.93 119.36 132.60 2kfy n ILE 36 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2kfy n ILE 36 Cb 0.00 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 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 -3.38 0.00 0.00 1.39 -0.00 -1.14 -3.04 115.22 109.04 2kfy n HIS 37 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2kfy n HIS 37 Cb 0.61 -0.48 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 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 -0.87 -4.90 116.55 119.04 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 -0.89 3.17 0.07 0.44 0.00 -0.81 -4.74 105.19 102.43 2kfy n GLY 39 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 1.15 -1.02 4.61 0.00 -1.26 -4.81 120.51 119.18 2kfy n ALA 40 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 53.44 53.11 2kfy n ALA 40 Cb 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 19.45 19.45 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 1.91 -0.34 0.00 0.00 -1.26 -4.62 120.51 116.19 2kfy n ALA 41 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.99 2kfy n ALA 41 Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.60 0.13 3.79 0.00 0.00 -1.21 -4.82 105.19 102.47 2kfy n GLY 42 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.32 3.55 0.04 1.61 0.11 -1.26 -1.69 120.40 122.44 2kfy s VAL 43 Ca 0.00 0.50 -0.13 0.00 -2.93 0.00 0.00 61.98 59.42 2kfy s VAL 43 Cb 0.00 -3.10 0.02 0.00 -1.53 0.00 0.00 36.38 31.77 2kfy s VAL 43 CO 0.00 -0.66 0.29 -1.00 -3.33 0.00 0.00 175.10 170.41 2kfy s HIS 44 N -2.97 -0.09 0.10 1.54 3.76 -0.98 -4.91 115.29 111.75 2kfy s HIS 44 Ca 0.60 -0.04 -0.13 0.00 -0.15 0.00 0.00 55.06 55.34 2kfy s HIS 44 Cb -0.16 0.09 0.02 0.00 1.11 0.00 0.00 32.58 33.64 2kfy s HIS 44 CO 0.56 -0.49 0.30 -0.06 -0.85 0.00 0.00 174.74 174.20 2kfy s PHE 45 N -2.51 -0.04 0.01 1.40 0.08 -1.26 -2.94 117.98 112.71 2kfy s PHE 45 Ca -0.05 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.70 2kfy s PHE 45 Cb -0.01 0.11 -0.01 0.00 -0.57 0.00 0.00 43.02 42.54 2kfy s PHE 45 CO -0.03 -0.62 -0.04 0.42 -0.10 0.00 0.00 175.22 174.85 2kfy s ILE 46 N -3.75 0.26 0.20 0.64 1.09 -1.05 -4.97 121.20 113.62 2kfy s ILE 46 Ca 0.03 -0.34 -0.23 0.00 -1.10 0.00 0.00 60.65 59.01 2kfy s ILE 46 Cb 0.03 -0.26 0.05 0.00 -1.06 0.00 0.00 42.46 41.23 2kfy s ILE 46 CO -0.11 -0.06 0.90 -0.72 -0.10 0.00 0.00 174.94 174.86 2kfy s TYR 47 N -0.40 -0.11 0.06 3.97 -0.85 -1.13 -4.32 117.35 114.57 2kfy s TYR 47 Ca -0.02 -0.25 -0.08 0.00 -0.52 0.00 0.00 57.07 56.20 2kfy s TYR 47 Cb -0.03 0.67 -0.01 0.00 0.38 0.00 0.00 41.96 42.97 2kfy s TYR 47 CO -0.00 -0.97 0.15 0.95 -1.52 0.00 0.00 175.55 174.16 2kfy s THR 48 N -3.29 0.14 -0.20 -3.49 -4.23 -0.22 -4.91 115.64 99.45 2kfy s THR 48 Ca 0.13 -1.16 -0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2kfy s THR 48 Cb -0.03 -1.19 0.03 0.00 1.34 0.00 0.00 72.50 72.65 2kfy s THR 48 CO 0.04 -0.64 0.06 -2.11 -0.54 0.00 0.00 174.62 171.43 2kfy n ARG 49 N 0.27 -2.58 -4.23 3.99 -4.01 -1.26 -1.23 116.66 107.60 2kfy n ARG 49 Ca -0.16 0.01 -0.36 0.00 -1.04 0.00 0.00 57.85 56.30 2kfy n ARG 49 Cb 0.61 -4.13 -0.08 0.00 -3.04 0.00 0.00 32.46 25.82 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 -2.45 -0.80 0.00 2.89 1.02 -1.26 -4.75 120.64 115.29 2kfy n GLU 50 Ca 0.01 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2kfy n GLU 50 Cb 0.45 -3.98 0.00 0.00 -0.02 0.00 0.00 31.44 27.90 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 -1.44 1.00 3.31 0.62 0.00 -0.36 -5.13 105.19 103.19 2kfy n GLY 51 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2kfy n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kfy s ARG 52 N 0.00 0.99 -0.02 1.61 1.70 -1.15 -5.03 118.95 117.05 2kfy s ARG 52 Ca 0.00 -0.57 0.07 0.00 -0.47 0.00 0.00 55.73 54.76 2kfy s ARG 52 Cb 0.00 0.43 -0.24 0.00 -0.57 0.00 0.00 34.95 34.58 2kfy s ARG 52 CO 0.00 -0.36 0.75 1.96 -1.08 0.00 0.00 175.30 176.57 2kfy h GLN 53 N 2.68 0.07 -0.82 3.89 1.08 -1.79 -0.55 115.11 119.66 2kfy h GLN 53 Ca -0.33 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 56.69 2kfy h GLN 53 Cb 1.23 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.67 2kfy h GLN 53 CO 0.46 0.74 -0.06 0.43 -0.95 0.00 0.00 178.83 179.45 2kfy n SER 54 N -3.20 -1.84 -0.03 1.46 7.64 -1.26 -2.82 113.62 113.57 2kfy n SER 54 Ca -0.16 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2kfy n SER 54 Cb 1.03 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 2kfy n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfy n GLY 55 N 0.10 0.16 7.00 0.23 0.00 -1.26 -5.00 105.19 106.42 2kfy n GLY 55 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 -3.67 1.61 -0.58 -1.26 -4.80 120.64 111.95 2kfy n GLU 56 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2kfy n GLU 56 Cb 0.08 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.94 2kfy n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kfy n ALA 57 N 8.19 -0.74 -2.65 0.62 0.00 -0.30 -2.52 120.51 123.11 2kfy n ALA 57 Ca 0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 53.44 51.96 2kfy n ALA 57 Cb 0.00 1.10 -0.08 0.00 0.00 0.00 0.00 19.45 20.47 2kfy n ALA 57 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kfy s PHE 58 N -3.04 0.86 -0.17 0.00 0.08 -1.15 -1.21 117.98 113.35 2kfy s PHE 58 Ca 0.22 -1.12 -0.04 0.00 0.12 0.00 0.00 56.93 56.11 2kfy s PHE 58 Cb -0.02 -0.23 0.08 0.00 -0.57 0.00 0.00 43.02 42.29 2kfy s PHE 58 CO 0.16 -0.83 0.27 0.08 -0.10 0.00 0.00 175.22 174.80 2kfy s VAL 59 N -3.98 -0.42 0.38 -0.44 1.01 0.40 -2.31 120.40 115.05 2kfy s VAL 59 Ca 0.32 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.16 2kfy s VAL 59 Cb 0.03 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.73 2kfy s VAL 59 CO 0.12 -0.02 0.96 -1.61 0.00 0.00 0.00 175.10 174.54 2kfy s GLU 60 N 2.41 4.37 0.16 2.72 2.02 -0.68 -1.37 118.70 128.33 2kfy s GLU 60 Ca 0.05 1.25 0.00 0.00 0.02 0.00 0.00 54.97 56.29 2kfy s GLU 60 Cb -0.14 -2.47 -0.00 0.00 0.10 0.00 0.00 34.13 31.62 2kfy s GLU 60 CO -0.11 0.08 0.01 1.28 0.02 0.00 0.00 175.26 176.55 2kfy n LEU 61 N -0.09 0.00 -0.09 1.80 4.77 0.16 -2.90 117.00 120.65 2kfy n LEU 61 Ca 0.05 -1.05 -0.09 0.00 -0.03 0.00 0.00 56.01 54.88 2kfy n LEU 61 Cb 0.52 0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 41.65 2kfy n LEU 61 CO 0.41 -0.15 -1.09 0.61 -1.33 0.00 0.00 177.39 175.83 2kfy n GLY 62 N 2.51 -0.86 3.56 -0.72 0.00 -1.26 -4.21 105.19 104.21 2kfy n GLY 62 Ca -0.06 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.26 0.14 0.48 1.61 0.01 -1.26 -5.03 113.70 104.39 2kfy s SER 63 Ca -0.10 -1.08 0.15 0.00 1.31 0.00 0.00 55.95 56.22 2kfy s SER 63 Cb 0.05 0.61 1.14 0.00 0.21 0.00 0.00 66.02 68.03 2kfy s SER 63 CO 0.73 -1.19 2.09 -0.08 0.41 0.00 0.00 173.24 175.20 2kfy h GLU 64 N 2.23 0.05 0.00 12.44 4.81 -1.95 -2.09 114.58 130.07 2kfy h GLU 64 Ca -0.27 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 2kfy h GLU 64 Cb 1.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2kfy h GLU 64 CO 0.37 0.10 -0.40 0.22 -0.73 0.00 0.00 179.01 178.57 2kfy h ASP 65 N 0.05 0.00 0.28 1.04 3.58 -2.00 -2.31 116.42 117.07 2kfy h ASP 65 Ca 0.01 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.21 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 0.01 0.40 -1.06 0.44 -2.88 0.00 0.00 179.24 176.15 2kfy h ASP 66 N 0.00 0.64 -0.35 2.28 3.32 -1.74 -2.39 116.42 118.18 2kfy h ASP 66 Ca -0.00 -0.55 -0.15 0.00 0.02 0.00 0.00 57.03 56.34 2kfy h ASP 66 Cb 0.82 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2kfy h ASP 66 CO 0.05 1.37 -0.35 1.62 -1.72 0.00 0.00 179.24 180.21 2kfy h VAL 67 N 0.24 1.27 -0.30 -1.35 3.04 -1.37 -1.15 116.25 116.64 2kfy h VAL 67 Ca -0.12 -1.52 -0.01 0.00 -1.01 0.00 0.00 66.70 64.05 2kfy h VAL 67 Cb 1.71 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 32.32 2kfy h VAL 67 CO 0.19 0.51 0.17 0.11 -1.01 0.00 0.00 177.57 177.53 2kfy h LYS 68 N 0.74 0.41 0.00 4.17 1.57 -1.46 -2.66 116.57 119.35 2kfy h LYS 68 Ca 0.07 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2kfy h LYS 68 Cb 0.92 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2kfy h LYS 68 CO 0.09 0.35 -0.27 0.52 -0.57 0.00 0.00 179.45 179.57 2kfy h MET 69 N 0.37 0.00 -0.01 3.15 2.86 -1.27 -2.44 114.93 117.60 2kfy h MET 69 Ca 0.11 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.59 2kfy h MET 69 Cb 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2kfy h MET 69 CO -0.02 0.27 -0.71 0.00 1.06 0.00 0.00 176.91 177.51 2kfy h ALA 70 N 1.73 0.81 0.00 6.32 0.00 -1.03 -3.09 119.26 124.00 2kfy h ALA 70 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2kfy h ALA 70 Cb 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kfy h ALA 70 CO 0.03 0.87 0.00 -0.07 0.00 0.00 0.00 179.25 180.08 2kfy h LEU 71 N 0.03 0.00 0.00 0.00 3.38 -1.09 -3.20 115.31 114.43 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 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kfy h LEU 71 CO 0.10 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.92 2kfy n LYS 72 N -2.65 0.03 -0.95 1.13 4.76 -1.09 -2.54 118.16 116.85 2kfy n LYS 72 Ca 0.04 0.31 0.04 0.00 -2.87 0.00 0.00 58.31 55.83 2kfy n LYS 72 Cb 0.42 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.45 0.47 0.00 1.97 0.00 -1.21 -4.93 118.16 113.01 2kfy n LYS 73 Ca 0.03 -2.13 0.00 0.00 -0.00 0.00 0.00 58.31 56.21 2kfy n LYS 73 Cb 0.10 -0.61 0.00 0.00 -0.00 0.00 0.00 35.03 34.52 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 0.00 -0.83 -5.58 5.68 -1.05 -1.64 116.55 112.98 2kfy n ASP 74 Ca 0.09 0.11 -0.02 0.00 -0.50 0.00 0.00 54.79 54.46 2kfy n ASP 74 Cb 0.90 -0.11 -0.03 0.00 -1.14 0.00 0.00 41.12 40.75 2kfy n ASP 74 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2kfy n ARG 75 N -0.98 0.00 0.00 0.11 1.85 -1.26 -1.64 116.66 114.74 2kfy n ARG 75 Ca 0.00 -0.77 0.00 0.00 -1.00 0.00 0.00 57.85 56.08 2kfy n ARG 75 Cb 0.16 0.14 0.00 0.00 -1.05 0.00 0.00 32.46 31.71 2kfy n ARG 75 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2kfy n GLU 76 N 0.06 0.61 -3.90 2.89 -0.58 -0.65 -4.63 120.64 114.44 2kfy n GLU 76 Ca -0.10 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.54 2kfy n GLU 76 Cb 0.69 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.46 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 0.12 0.06 1.62 0.15 -1.26 -1.69 113.70 111.30 2kfy s SER 77 Ca 0.00 -0.41 0.24 0.00 0.70 0.00 0.00 55.95 56.48 2kfy s SER 77 Cb 0.00 0.22 0.98 0.00 -1.71 0.00 0.00 66.02 65.50 2kfy s SER 77 CO 0.00 -0.46 1.76 0.23 1.20 0.00 0.00 173.24 175.97 2kfy n MET 78 N 1.03 0.06 0.00 5.44 2.81 -1.22 -4.85 117.12 120.39 2kfy n MET 78 Ca -0.20 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 2kfy n MET 78 Cb 0.57 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 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 0.91 0.62 0.00 3.03 0.00 -1.26 -4.95 105.19 103.54 2kfy n GLY 79 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2kfy n GLY 79 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfy n HIS 80 N 0.00 0.00 -3.67 1.61 -0.00 -1.26 -5.14 115.22 106.76 2kfy n HIS 80 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2kfy n HIS 80 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.92 2kfy n HIS 80 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 2kfy s ARG 81 N 0.00 0.90 0.09 1.57 6.06 -1.26 -5.14 118.95 121.16 2kfy s ARG 81 Ca 0.00 -0.33 -0.31 0.00 -2.50 0.00 0.00 55.73 52.59 2kfy s ARG 81 Cb 0.00 0.40 -0.08 0.00 0.06 0.00 0.00 34.95 35.33 2kfy s ARG 81 CO 0.00 -0.30 1.47 -0.47 -2.50 0.00 0.00 175.30 173.50 2kfy s TYR 82 N -2.31 2.99 0.28 5.12 5.04 -1.26 -3.40 117.35 123.81 2kfy s TYR 82 Ca -0.06 0.76 0.10 0.00 -2.44 0.00 0.00 57.07 55.43 2kfy s TYR 82 Cb -0.01 -3.76 -0.05 0.00 0.35 0.00 0.00 41.96 38.48 2kfy s TYR 82 CO -0.01 -2.82 -0.16 0.42 -1.34 0.00 0.00 175.55 171.64 2kfy s ILE 83 N 1.66 2.24 0.07 3.14 -1.09 -0.68 -3.20 121.20 123.33 2kfy s ILE 83 Ca 0.67 -2.31 -0.09 0.00 -2.23 0.00 0.00 60.65 56.69 2kfy s ILE 83 Cb -0.37 -2.34 -0.00 0.00 -1.58 0.00 0.00 42.46 38.17 2kfy s ILE 83 CO 0.30 -0.39 0.18 -1.61 -1.23 0.00 0.00 174.94 172.19 2kfy s GLU 84 N -3.57 0.77 0.03 2.79 2.02 -0.56 -3.70 118.70 116.48 2kfy s GLU 84 Ca 0.29 -0.84 -0.03 0.00 0.02 0.00 0.00 54.97 54.41 2kfy s GLU 84 Cb -0.02 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.51 2kfy s GLU 84 CO 0.14 -0.23 0.04 0.08 0.02 0.00 0.00 175.26 175.30 2kfy s VAL 85 N -3.34 0.14 0.07 2.63 1.01 -0.65 -2.95 120.40 117.31 2kfy s VAL 85 Ca 0.01 -1.15 -0.21 0.00 0.00 0.00 0.00 61.98 60.63 2kfy s VAL 85 Cb 0.03 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.66 2kfy s VAL 85 CO -0.08 -0.63 0.51 0.12 0.00 0.00 0.00 175.10 175.02 2kfy s PHE 86 N -2.44 -0.40 0.55 5.22 2.19 -1.11 -4.64 117.98 117.34 2kfy s PHE 86 Ca -0.07 0.36 -0.18 0.00 0.33 0.00 0.00 56.93 57.37 2kfy s PHE 86 Cb -0.02 0.36 -0.05 0.00 -1.31 0.00 0.00 43.02 41.99 2kfy s PHE 86 CO -0.04 -0.68 1.08 0.21 1.83 0.00 0.00 175.22 177.62 2kfy s LYS 87 N -2.82 3.41 0.26 10.12 2.20 -1.26 0.06 119.74 131.70 2kfy s LYS 87 Ca -0.03 1.42 0.01 0.00 -0.36 0.00 0.00 55.97 57.00 2kfy s LYS 87 Cb -0.00 -2.03 -0.03 0.00 -1.51 0.00 0.00 37.83 34.25 2kfy s LYS 87 CO -0.05 -0.76 0.23 0.45 -0.36 0.00 0.00 175.35 174.86 2kfy s SER 88 N -2.16 0.72 0.00 1.43 0.15 -0.70 -4.53 113.70 108.60 2kfy s SER 88 Ca 0.68 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.83 2kfy s SER 88 Cb -0.19 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2kfy s SER 88 CO 0.29 -0.97 0.40 0.00 1.20 0.00 0.00 173.24 174.15 2kfy n HIS 89 N -0.42 0.00 0.00 3.44 1.44 -1.26 -3.19 115.22 115.22 2kfy n HIS 89 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 2kfy n HIS 89 Cb 0.64 0.09 0.00 0.00 0.12 0.00 0.00 29.99 30.84 2kfy n HIS 89 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kfy n ARG 90 N 0.00 0.00 -0.17 -1.40 1.74 -1.26 -3.62 116.66 111.95 2kfy n ARG 90 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2kfy n ARG 90 Cb 0.53 -0.26 0.00 0.00 -1.02 0.00 0.00 32.46 31.72 2kfy n ARG 90 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2kfy h THR 91 N 0.00 1.27 -0.23 0.55 2.02 -1.96 0.14 112.91 114.70 2kfy h THR 91 Ca 0.00 -1.32 -0.07 0.00 0.77 0.00 0.00 66.41 65.79 2kfy h THR 91 Cb 0.00 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2kfy h THR 91 CO 0.00 0.46 -0.12 -0.08 0.37 0.00 0.00 175.52 176.15 2kfy h GLU 92 N 0.88 0.49 -0.60 6.66 4.57 -2.00 -2.95 114.58 121.63 2kfy h GLU 92 Ca 0.13 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2kfy h GLU 92 Cb 0.73 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 2kfy h GLU 92 CO 0.06 0.77 0.32 1.98 -1.18 0.00 0.00 179.01 180.95 2kfy h MET 93 N 0.20 0.85 -0.21 1.92 4.05 -1.89 -2.27 114.93 117.57 2kfy h MET 93 Ca 0.05 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.30 2kfy h MET 93 Cb 0.63 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2kfy h MET 93 CO 0.04 0.66 -0.14 0.22 0.23 0.00 0.00 176.91 177.92 2kfy h ASP 94 N 0.82 0.34 0.27 1.39 3.58 -0.78 -2.47 116.42 119.57 2kfy h ASP 94 Ca 0.21 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2kfy h ASP 94 Cb 0.07 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2kfy h ASP 94 CO -0.03 0.51 -0.13 -0.25 -2.88 0.00 0.00 179.24 176.46 2kfy h TRP 95 N 0.33 -0.33 0.00 0.28 7.01 -1.23 -3.23 115.95 118.77 2kfy h TRP 95 Ca 0.06 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.95 2kfy h TRP 95 Cb 0.45 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 2kfy h TRP 95 CO 0.01 0.03 -0.49 -0.24 -2.79 0.00 0.00 178.44 174.96 2kfy h VAL 96 N -0.85 1.00 0.00 2.65 3.04 -1.53 -0.63 116.25 119.93 2kfy h VAL 96 Ca -0.04 -1.95 0.00 0.00 -1.01 0.00 0.00 66.70 63.70 2kfy h VAL 96 Cb 0.51 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 2kfy h VAL 96 CO 0.06 0.48 0.00 0.18 -1.01 0.00 0.00 177.57 177.28 2kfy n LEU 97 N -3.45 0.00 0.00 3.16 7.99 -0.93 -2.80 117.00 120.98 2kfy n LEU 97 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 56.01 56.45 2kfy n LEU 97 Cb 0.62 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 2kfy n LEU 97 CO 0.39 -0.29 0.25 0.29 -1.51 0.00 0.00 177.39 176.52 2kfy n LYS 98 N -1.44 0.18 0.00 3.23 5.02 -0.91 -4.86 118.16 119.37 2kfy n LYS 98 Ca 0.03 -0.52 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 2kfy n LYS 98 Cb 0.11 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 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 -0.03 0.00 0.89 2.13 -0.00 -0.29 -4.87 115.22 113.05 2kfy n HIS 99 Ca 0.00 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.25 2kfy n HIS 99 Cb 0.46 0.06 0.43 0.00 -0.12 0.00 0.00 29.99 30.81 2kfy n HIS 99 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kfy n SER 100 N 0.00 0.00 -3.83 0.26 2.88 -1.12 -4.85 113.62 106.96 2kfy n SER 100 Ca 0.00 -0.40 0.04 0.00 -1.33 0.00 0.00 58.87 57.19 2kfy n SER 100 Cb 0.45 -0.03 0.01 0.00 -0.75 0.00 0.00 64.21 63.89 2kfy n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kfy n GLY 101 N -0.09 0.13 0.00 0.46 0.00 -1.26 -4.98 105.19 99.45 2kfy n GLY 101 Ca 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27