#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfy n MET 2 N 0.00 0.00 -2.79 2.12 0.00 -1.26 -4.58 117.12 110.61 2kfy n MET 2 Ca 0.00 -0.46 -0.02 0.00 -0.00 0.00 0.00 57.70 57.23 2kfy n MET 2 Cb 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 33.22 33.07 2kfy n MET 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2kfy n LEU 3 N 0.01 1.79 0.00 -0.89 7.94 -1.26 -2.68 117.00 121.90 2kfy n LEU 3 Ca -0.00 -3.13 0.00 0.00 -1.11 0.00 0.00 56.01 51.76 2kfy n LEU 3 Cb 0.59 0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.97 2kfy n LEU 3 CO -0.00 1.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.99 2kfy n GLY 4 N -0.61 2.08 0.24 -3.96 0.00 -1.23 -4.95 105.19 96.76 2kfy n GLY 4 Ca 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2kfy n GLY 4 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kfy n PRO 5 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -1.75 135.00 133.58 2kfy n PRO 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kfy n PRO 5 Cb 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2kfy n PRO 5 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kfy n GLU 6 N -0.02 -0.27 -3.49 -0.52 1.02 -1.26 -5.09 120.64 111.00 2kfy n GLU 6 Ca 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2kfy n GLU 6 Cb 0.00 -0.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 2kfy n GLU 6 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfy n GLY 7 N -0.00 -1.44 3.77 0.62 0.00 -0.72 -4.73 105.19 102.69 2kfy n GLY 7 Ca 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 -0.20 0.00 -0.02 0.00 -1.09 -3.51 107.32 102.49 2kfy s GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.72 2kfy s GLY 8 CO 0.00 -0.02 0.85 1.18 0.00 0.00 0.00 173.10 175.12 2kfy n GLU 9 N -0.45 0.00 -4.44 2.90 1.02 -1.15 -4.90 120.64 113.61 2kfy n GLU 9 Ca -0.06 -0.72 -0.21 0.00 -0.02 0.00 0.00 57.16 56.15 2kfy n GLU 9 Cb 0.60 -0.36 -0.11 0.00 -0.02 0.00 0.00 31.44 31.56 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 -0.71 2.01 -0.31 0.62 0.00 -1.02 -4.98 107.32 102.94 2kfy s GLY 10 Ca 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 44.72 42.67 2kfy s GLY 10 CO 0.00 -1.82 2.46 0.69 0.00 0.00 0.00 173.10 174.43 2kfy n PHE 11 N -0.66 1.26 -4.15 1.90 3.72 -1.26 -4.67 117.46 113.61 2kfy n PHE 11 Ca -0.03 -1.83 -0.17 0.00 -0.05 0.00 0.00 57.45 55.37 2kfy n PHE 11 Cb 0.66 -1.14 -0.12 0.00 -0.94 0.00 0.00 39.48 37.94 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 -1.73 0.95 0.05 -4.37 1.01 -1.26 -1.40 120.40 113.65 2kfy s VAL 12 Ca 0.42 -1.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2kfy s VAL 12 Cb 0.28 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2kfy s VAL 12 CO -0.08 -0.26 -0.04 0.68 0.00 0.00 0.00 175.10 175.40 2kfy s VAL 13 N -1.28 0.28 0.36 2.92 -7.23 -0.96 -1.58 120.40 112.90 2kfy s VAL 13 Ca -0.04 -1.69 -0.05 0.00 -1.81 0.00 0.00 61.98 58.39 2kfy s VAL 13 Cb -0.10 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 2kfy s VAL 13 CO 0.02 -0.90 0.64 -0.54 -0.31 0.00 0.00 175.10 174.01 2kfy s LYS 14 N -3.52 3.62 -0.01 4.82 1.02 0.52 -0.82 119.74 125.38 2kfy s LYS 14 Ca 0.04 0.09 -0.02 0.00 0.02 0.00 0.00 55.97 56.10 2kfy s LYS 14 Cb 0.05 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.81 2kfy s LYS 14 CO -0.08 0.07 0.05 -1.17 -0.92 0.00 0.00 175.35 173.30 2kfy s LEU 15 N -3.95 1.87 0.13 3.17 2.96 -0.21 -2.74 118.68 119.91 2kfy s LEU 15 Ca 0.46 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 54.15 2kfy s LEU 15 Cb -0.10 0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.84 2kfy s LEU 15 CO 0.34 -0.15 0.30 -0.13 -1.32 0.00 0.00 176.35 175.39 2kfy s ARG 16 N -0.59 1.06 0.00 1.98 0.52 -0.85 -1.32 118.95 119.74 2kfy s ARG 16 Ca -0.07 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 2kfy s ARG 16 Cb -0.04 0.40 0.00 0.00 0.52 0.00 0.00 34.95 35.83 2kfy s ARG 16 CO 0.00 -0.39 0.00 0.41 0.02 0.00 0.00 175.30 175.34 2kfy n GLY 17 N -0.18 -0.04 1.32 -3.53 0.00 -1.26 -0.95 105.19 100.55 2kfy n GLY 17 Ca -0.12 -2.25 0.17 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.76 -4.05 0.99 4.77 -1.18 -4.88 117.00 111.89 2kfy n LEU 18 Ca 0.00 1.71 -0.26 0.00 -0.03 0.00 0.00 56.01 57.43 2kfy n LEU 18 Cb 0.00 -4.19 0.11 0.00 -2.33 0.00 0.00 43.42 37.00 2kfy n LEU 18 CO 0.00 -3.02 -0.73 -2.65 -1.33 0.00 0.00 177.39 169.65 2kfy n PRO 19 N -4.10 -1.20 0.00 3.23 -0.02 -1.26 -4.73 135.00 126.92 2kfy n PRO 19 Ca -0.02 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 2kfy n PRO 19 Cb 0.61 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 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 -4.00 0.00 -3.96 6.00 5.03 -1.26 -4.60 117.44 114.65 2kfy n TRP 20 Ca 0.01 0.00 -0.10 0.00 3.03 0.00 0.00 57.50 60.45 2kfy n TRP 20 Cb 0.50 -0.09 -0.07 0.00 -1.03 0.00 0.00 31.31 30.62 2kfy n TRP 20 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2kfy s SER 21 N -2.14 0.01 0.35 -0.99 1.04 -1.26 -1.54 113.70 109.17 2kfy s SER 21 Ca 0.00 -0.88 -0.14 0.00 0.48 0.00 0.00 55.95 55.41 2kfy s SER 21 Cb 0.00 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.62 2kfy s SER 21 CO 0.00 -0.94 0.69 0.00 0.98 0.00 0.00 173.24 173.98 2kfy s SER 23 N -3.08 0.36 0.54 0.00 0.01 -1.26 -5.06 113.70 105.21 2kfy s SER 23 Ca 0.18 -0.84 0.34 0.00 1.31 0.00 0.00 55.95 56.95 2kfy s SER 23 Cb -0.04 0.23 1.51 0.00 0.21 0.00 0.00 66.02 67.93 2kfy s SER 23 CO 0.12 -0.60 2.02 -0.37 0.41 0.00 0.00 173.24 174.83 2kfy h VAL 24 N 3.22 0.00 0.00 3.43 -1.51 -1.99 -2.71 116.25 116.69 2kfy h VAL 24 Ca -0.34 -0.38 -0.13 0.00 -1.23 0.00 0.00 66.70 64.62 2kfy h VAL 24 Cb 1.16 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 2kfy h VAL 24 CO 0.60 0.00 -0.67 -0.33 -1.23 0.00 0.00 177.57 175.94 2kfy h GLU 25 N 0.00 0.00 0.23 5.19 5.08 -1.99 -2.95 114.58 120.13 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 0.40 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.68 2kfy h GLU 25 CO 0.00 0.58 -1.49 -0.44 -1.00 0.00 0.00 179.01 176.65 2kfy h ASP 26 N 0.00 0.75 0.09 1.42 3.32 -1.92 -2.82 116.42 117.26 2kfy h ASP 26 Ca -0.02 -0.84 -0.09 0.00 0.02 0.00 0.00 57.03 56.10 2kfy h ASP 26 Cb 1.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2kfy h ASP 26 CO 0.08 1.67 -0.28 -0.37 -1.72 0.00 0.00 179.24 178.61 2kfy h VAL 27 N 0.13 1.26 0.00 -1.35 -1.51 -1.62 -2.31 116.25 110.85 2kfy h VAL 27 Ca -0.25 -1.24 -0.12 0.00 -1.23 0.00 0.00 66.70 63.85 2kfy h VAL 27 Cb 2.13 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 32.73 2kfy h VAL 27 CO 0.25 0.38 -0.62 0.06 -1.23 0.00 0.00 177.57 176.41 2kfy h GLN 28 N 0.28 0.00 0.00 5.19 3.07 -1.62 -2.90 115.11 119.13 2kfy h GLN 28 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.73 2kfy h GLN 28 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.20 2kfy h GLN 28 CO 0.05 0.57 -0.24 -0.97 0.09 0.00 0.00 178.83 178.32 2kfy h ASN 29 N 0.00 0.00 0.50 0.06 -1.24 -1.20 -3.22 115.58 110.47 2kfy h ASN 29 Ca -0.01 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.70 2kfy h ASN 29 Cb 1.46 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.47 2kfy h ASN 29 CO 0.07 0.24 -1.65 0.15 -1.29 0.00 0.00 177.43 174.96 2kfy h PHE 30 N 0.00 0.10 -1.31 0.67 3.57 -1.38 -3.36 116.94 115.24 2kfy h PHE 30 Ca -0.00 -0.07 -0.75 0.00 3.53 0.00 0.00 57.97 60.67 2kfy h PHE 30 Cb 0.62 -0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.22 2kfy h PHE 30 CO 0.00 1.13 2.22 1.28 -2.23 0.00 0.00 178.31 180.72 2kfy n LEU 31 N -3.17 7.74 -4.58 0.59 4.32 -1.10 -5.00 117.00 115.80 2kfy n LEU 31 Ca -0.17 -4.89 -0.36 0.00 -0.02 0.00 0.00 56.01 50.57 2kfy n LEU 31 Cb 1.04 -1.37 0.07 0.00 -1.62 0.00 0.00 43.42 41.54 2kfy n LEU 31 CO 0.45 1.94 0.41 -0.24 -1.22 0.00 0.00 177.39 178.74 2kfy n SER 32 N 1.95 0.13 0.00 -1.43 2.88 -1.26 -1.96 113.62 113.93 2kfy n SER 32 Ca 0.57 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 2kfy n SER 32 Cb 0.27 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 2kfy n SER 32 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kfy n ASP 33 N -1.03 0.00 -3.28 -3.46 8.00 -1.26 -4.94 116.55 110.58 2kfy n ASP 33 Ca 0.13 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.47 2kfy n ASP 33 Cb 0.49 -1.78 0.10 0.00 -0.02 0.00 0.00 41.12 39.91 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 -2.27 0.39 -0.46 0.00 2.01 -1.26 -5.07 115.64 108.98 2kfy s THR 35 Ca 0.42 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 61.38 2kfy s THR 35 Cb -0.02 -0.55 0.44 0.00 0.01 0.00 0.00 72.50 72.38 2kfy s THR 35 CO 0.29 -0.46 1.48 -0.38 -0.69 0.00 0.00 174.62 174.86 2kfy n ILE 36 N 1.42 2.90 0.00 1.82 -0.00 -1.26 -4.09 119.36 120.15 2kfy n ILE 36 Ca -0.23 -3.96 0.00 0.00 -0.00 0.00 0.00 62.75 58.57 2kfy n ILE 36 Cb 0.55 -1.17 0.00 0.00 -0.00 0.00 0.00 39.64 39.02 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 -0.73 0.00 -1.24 1.39 -0.00 -1.19 -1.64 115.22 111.81 2kfy n HIS 37 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 2kfy n HIS 37 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.78 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 0.36 0.00 0.00 0.26 8.00 -1.26 -4.89 116.55 119.01 2kfy n ASP 38 Ca 0.00 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.71 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 0.00 0.98 0.00 0.44 0.00 -0.65 -4.21 105.19 101.75 2kfy n GLY 39 Ca 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 46.02 44.68 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 2.04 1.67 -0.70 4.61 0.00 -1.26 -1.51 120.51 125.37 2kfy n ALA 40 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2kfy n ALA 40 Cb 0.00 -1.03 0.13 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.71 2.32 -0.97 0.00 0.00 -1.26 -4.54 120.51 115.35 2kfy n ALA 41 Ca 0.02 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.44 2kfy n ALA 41 Cb 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.85 0.14 3.80 0.00 0.00 -0.57 -4.62 105.19 103.10 2kfy n GLY 42 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.01 3.32 0.02 1.61 0.11 -1.21 -2.54 120.40 121.70 2kfy s VAL 43 Ca 0.00 0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 59.32 2kfy s VAL 43 Cb 0.00 -3.15 0.03 0.00 -1.53 0.00 0.00 36.38 31.73 2kfy s VAL 43 CO 0.00 -0.56 0.34 -1.00 -3.33 0.00 0.00 175.10 170.55 2kfy s HIS 44 N -3.10 -0.18 0.12 1.54 3.76 -1.12 -4.92 115.29 111.39 2kfy s HIS 44 Ca 0.60 0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 55.56 2kfy s HIS 44 Cb -0.15 0.13 0.02 0.00 1.11 0.00 0.00 32.58 33.69 2kfy s HIS 44 CO 0.55 -0.47 0.33 -0.06 -0.85 0.00 0.00 174.74 174.24 2kfy s PHE 45 N -1.96 -0.01 -0.05 1.40 0.08 -1.26 -3.01 117.98 113.17 2kfy s PHE 45 Ca -0.09 -0.35 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 2kfy s PHE 45 Cb -0.03 0.13 0.03 0.00 -0.57 0.00 0.00 43.02 42.58 2kfy s PHE 45 CO 0.01 -0.67 0.02 0.42 -0.10 0.00 0.00 175.22 174.90 2kfy s ILE 46 N -3.85 0.16 0.27 0.64 1.09 -0.74 -4.94 121.20 113.83 2kfy s ILE 46 Ca 0.06 0.24 -0.05 0.00 -1.10 0.00 0.00 60.65 59.80 2kfy s ILE 46 Cb 0.03 -0.35 0.02 0.00 -1.06 0.00 0.00 42.46 41.10 2kfy s ILE 46 CO -0.09 0.21 0.44 0.00 -0.10 0.00 0.00 174.94 175.39 2kfy n TYR 47 N 5.06 -1.46 -4.24 3.97 0.18 -1.26 -0.78 117.16 118.62 2kfy n TYR 47 Ca -0.08 -1.62 -0.15 0.00 1.88 0.00 0.00 57.90 57.92 2kfy n TYR 47 Cb 0.50 0.50 -0.09 0.00 -0.38 0.00 0.00 39.34 39.87 2kfy n TYR 47 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2kfy s THR 48 N -2.59 0.04 0.65 -3.48 -4.23 -1.14 -4.79 115.64 100.10 2kfy s THR 48 Ca 0.18 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.10 2kfy s THR 48 Cb -0.02 -2.50 0.42 0.00 1.34 0.00 0.00 72.50 71.74 2kfy s THR 48 CO 0.13 0.00 2.33 0.08 -0.54 0.00 0.00 174.62 176.63 2kfy h ARG 49 N 2.42 0.00 -0.02 3.99 -0.00 -2.03 -1.10 114.38 117.64 2kfy h ARG 49 Ca -0.32 0.00 0.01 0.00 -0.00 0.00 0.00 59.98 59.66 2kfy h ARG 49 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.21 2kfy h ARG 49 CO 0.47 0.00 0.13 0.93 -0.00 0.00 0.00 179.97 181.51 2kfy h GLU 50 N 0.00 0.00 0.00 0.08 5.08 -2.01 -3.46 114.58 114.27 2kfy h GLU 50 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kfy h GLU 50 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2kfy h GLU 50 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2kfy n GLY 51 N -1.17 0.92 3.30 -3.84 0.00 -0.42 -5.09 105.19 98.90 2kfy n GLY 51 Ca -0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2kfy n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfy s ARG 52 N -0.27 1.11 0.80 1.61 0.52 -1.26 -4.89 118.95 116.56 2kfy s ARG 52 Ca 0.00 -1.22 -0.12 0.00 -0.52 0.00 0.00 55.73 53.86 2kfy s ARG 52 Cb 0.00 0.35 0.08 0.00 0.52 0.00 0.00 34.95 35.90 2kfy s ARG 52 CO 0.00 -0.39 1.16 -0.65 0.02 0.00 0.00 175.30 175.44 2kfy s GLN 53 N -3.98 1.83 0.00 3.54 -1.52 -0.59 -2.86 119.66 116.08 2kfy s GLN 53 Ca 0.18 1.55 0.00 0.00 -1.95 0.00 0.00 55.36 55.14 2kfy s GLN 53 Cb 0.04 -1.82 0.00 0.00 -0.22 0.00 0.00 33.01 31.01 2kfy s GLN 53 CO 0.00 -2.03 0.26 -1.13 -0.25 0.00 0.00 175.29 172.15 2kfy n SER 54 N -3.36 0.00 -0.46 5.90 3.41 0.04 -4.83 113.62 114.32 2kfy n SER 54 Ca 0.12 -1.00 -0.01 0.00 -0.26 0.00 0.00 58.87 57.72 2kfy n SER 54 Cb 0.51 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 2kfy n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfy n GLY 55 N 0.00 0.62 7.00 5.00 0.00 -1.18 -4.86 105.19 111.77 2kfy n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.16 1.61 -0.58 -1.26 -4.74 120.64 112.51 2kfy n GLU 56 Ca -0.04 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.61 2kfy n GLU 56 Cb 0.40 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.26 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 7.83 -0.47 -2.67 0.62 0.00 -0.44 -1.80 120.51 123.57 2kfy n ALA 57 Ca 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 53.44 52.27 2kfy n ALA 57 Cb 0.00 0.85 -0.08 0.00 0.00 0.00 0.00 19.45 20.23 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 -3.76 0.73 -0.22 0.00 0.40 -1.16 -1.04 117.98 112.93 2kfy s PHE 58 Ca 0.18 -1.03 -0.04 0.00 -0.60 0.00 0.00 56.93 55.44 2kfy s PHE 58 Cb -0.01 -0.18 0.10 0.00 0.51 0.00 0.00 43.02 43.43 2kfy s PHE 58 CO 0.13 -0.80 0.23 0.08 0.70 0.00 0.00 175.22 175.56 2kfy s VAL 59 N -4.08 -0.33 0.58 -0.44 1.01 -0.00 -2.77 120.40 114.37 2kfy s VAL 59 Ca 0.29 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 2kfy s VAL 59 Cb 0.03 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2kfy s VAL 59 CO 0.09 -0.25 1.10 -1.61 0.00 0.00 0.00 175.10 174.43 2kfy s GLU 60 N 2.32 3.21 0.04 2.72 2.02 -1.05 -2.26 118.70 125.70 2kfy s GLU 60 Ca 0.07 1.45 0.00 0.00 0.02 0.00 0.00 54.97 56.51 2kfy s GLU 60 Cb -0.16 -2.00 -0.00 0.00 0.10 0.00 0.00 34.13 32.07 2kfy s GLU 60 CO -0.15 -0.93 0.01 1.28 0.02 0.00 0.00 175.26 175.49 2kfy n LEU 61 N -1.75 0.00 -0.03 1.80 4.77 -0.50 -3.20 117.00 118.10 2kfy n LEU 61 Ca 0.10 -0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 55.78 2kfy n LEU 61 Cb 0.52 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.64 2kfy n LEU 61 CO 0.45 -0.05 -0.70 0.61 -1.33 0.00 0.00 177.39 176.37 2kfy n GLY 62 N 1.98 -0.40 3.47 -0.72 0.00 -1.26 -4.04 105.19 104.23 2kfy n GLY 62 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.61 -0.06 0.51 1.61 0.01 -1.26 -5.03 113.70 105.88 2kfy s SER 63 Ca -0.04 -0.89 0.15 0.00 1.31 0.00 0.00 55.95 56.49 2kfy s SER 63 Cb 0.04 0.52 1.24 0.00 0.21 0.00 0.00 66.02 68.03 2kfy s SER 63 CO 0.34 -1.03 2.14 -0.08 0.41 0.00 0.00 173.24 175.02 2kfy h GLU 64 N 2.36 0.04 0.00 12.44 4.81 -1.94 -1.59 114.58 130.69 2kfy h GLU 64 Ca -0.29 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 2kfy h GLU 64 Cb 1.24 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2kfy h GLU 64 CO 0.41 0.03 -0.27 0.22 -0.73 0.00 0.00 179.01 178.66 2kfy h ASP 65 N 0.04 0.00 0.22 1.04 3.58 -1.99 -2.02 116.42 117.29 2kfy h ASP 65 Ca 0.01 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.18 2kfy h ASP 65 Cb -0.00 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.07 2kfy h ASP 65 CO -0.00 0.27 -1.19 0.44 -2.88 0.00 0.00 179.24 175.88 2kfy h ASP 66 N 0.00 0.77 -0.34 2.28 3.32 -1.67 -2.30 116.42 118.47 2kfy h ASP 66 Ca -0.00 -0.70 -0.14 0.00 0.02 0.00 0.00 57.03 56.21 2kfy h ASP 66 Cb 0.69 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2kfy h ASP 66 CO 0.04 1.51 -0.29 1.62 -1.72 0.00 0.00 179.24 180.40 2kfy h VAL 67 N 0.25 1.27 -0.17 -1.35 3.04 -1.37 0.01 116.25 117.94 2kfy h VAL 67 Ca -0.16 -1.45 0.01 0.00 -1.01 0.00 0.00 66.70 64.08 2kfy h VAL 67 Cb 1.86 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 2kfy h VAL 67 CO 0.22 0.49 0.10 0.11 -1.01 0.00 0.00 177.57 177.47 2kfy h LYS 68 N 0.73 0.20 0.00 4.17 1.57 -1.42 -2.53 116.57 119.29 2kfy h LYS 68 Ca 0.08 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2kfy h LYS 68 Cb 0.85 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2kfy h LYS 68 CO 0.07 0.13 -0.32 0.52 -0.57 0.00 0.00 179.45 179.29 2kfy h MET 69 N 0.20 0.00 0.00 3.15 2.86 -1.18 -2.63 114.93 117.33 2kfy h MET 69 Ca 0.07 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 2kfy h MET 69 Cb -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2kfy h MET 69 CO -0.03 0.32 -0.51 0.00 1.06 0.00 0.00 176.91 177.74 2kfy h ALA 70 N 1.68 1.00 0.00 6.32 0.00 -0.73 -2.95 119.26 124.59 2kfy h ALA 70 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kfy h ALA 70 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kfy h ALA 70 CO 0.04 0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 179.85 2kfy h LEU 71 N 0.00 0.00 0.00 0.00 3.38 -1.08 -3.23 115.31 114.37 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 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 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 -2.33 0.14 -0.72 1.13 4.76 -1.11 -2.59 118.16 117.44 2kfy n LYS 72 Ca 0.05 0.19 0.04 0.00 -2.87 0.00 0.00 58.31 55.73 2kfy n LYS 72 Cb 0.44 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.20 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 -1.29 0.53 0.33 1.97 0.00 -1.22 -4.94 118.16 113.53 2kfy n LYS 73 Ca 0.05 -2.00 0.05 0.00 -0.00 0.00 0.00 58.31 56.41 2kfy n LYS 73 Cb 0.09 -0.75 0.27 0.00 -0.00 0.00 0.00 35.03 34.63 2kfy n LYS 73 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2kfy h ASP 74 N 0.46 0.00 0.00 -5.58 2.03 -1.65 -2.63 116.42 109.06 2kfy h ASP 74 Ca -0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2kfy h ASP 74 Cb 1.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.89 2kfy h ASP 74 CO 0.03 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.78 2kfy n ARG 75 N -2.61 0.00 -0.04 4.15 1.74 -1.26 -0.74 116.66 117.90 2kfy n ARG 75 Ca -0.01 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 2kfy n ARG 75 Cb 0.79 -0.25 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 2kfy n ARG 75 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2kfy n GLU 76 N 0.00 0.33 -4.28 5.56 0.28 -0.99 -4.39 120.64 117.15 2kfy n GLU 76 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 2kfy n GLU 76 Cb 0.41 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.17 2kfy n GLU 76 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kfy s SER 77 N -1.00 2.18 0.58 -1.84 0.01 -1.26 -1.23 113.70 111.14 2kfy s SER 77 Ca 0.00 -0.89 0.37 0.00 1.31 0.00 0.00 55.95 56.74 2kfy s SER 77 Cb 0.00 -0.09 1.69 0.00 0.21 0.00 0.00 66.02 67.83 2kfy s SER 77 CO 0.00 -0.16 2.10 0.24 0.41 0.00 0.00 173.24 175.82 2kfy h MET 78 N 3.17 0.00 0.00 12.44 0.00 -1.87 -3.45 114.93 125.22 2kfy h MET 78 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.31 2kfy h MET 78 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.80 2kfy h MET 78 CO 0.55 0.00 0.00 0.41 0.00 0.00 0.00 176.91 177.87 2kfy n GLY 79 N -0.30 0.70 0.00 8.32 0.00 -1.26 -4.94 105.19 107.71 2kfy n GLY 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.70 1.61 -0.00 -1.26 -5.13 115.22 106.74 2kfy n HIS 80 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2kfy n HIS 80 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 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 0.70 0.12 1.57 6.06 -1.26 -5.15 118.95 120.99 2kfy s ARG 81 Ca 0.00 0.16 -0.30 0.00 -2.50 0.00 0.00 55.73 53.09 2kfy s ARG 81 Cb 0.00 0.32 -0.07 0.00 0.06 0.00 0.00 34.95 35.26 2kfy s ARG 81 CO 0.00 -0.17 1.23 -0.47 -2.50 0.00 0.00 175.30 173.39 2kfy s TYR 82 N -0.79 3.40 0.37 5.12 5.04 -1.26 -2.48 117.35 126.75 2kfy s TYR 82 Ca -0.09 1.29 0.05 0.00 -2.44 0.00 0.00 57.07 55.89 2kfy s TYR 82 Cb -0.04 -3.47 -0.07 0.00 0.35 0.00 0.00 41.96 38.74 2kfy s TYR 82 CO 0.04 -1.43 0.04 0.42 -1.34 0.00 0.00 175.55 173.28 2kfy s ILE 83 N 0.62 1.56 -0.01 3.14 -1.09 -0.36 -3.10 121.20 121.96 2kfy s ILE 83 Ca 0.57 -2.00 -0.08 0.00 -2.23 0.00 0.00 60.65 56.92 2kfy s ILE 83 Cb -0.32 -2.88 0.01 0.00 -1.58 0.00 0.00 42.46 37.69 2kfy s ILE 83 CO 0.32 0.00 0.16 -1.61 -1.23 0.00 0.00 174.94 172.58 2kfy s GLU 84 N -3.81 0.45 0.02 2.79 2.02 -0.13 -3.86 118.70 116.19 2kfy s GLU 84 Ca 0.35 -0.26 -0.10 0.00 0.02 0.00 0.00 54.97 54.98 2kfy s GLU 84 Cb 0.09 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.52 2kfy s GLU 84 CO 0.17 -0.10 0.20 0.08 0.02 0.00 0.00 175.26 175.62 2kfy s VAL 85 N -1.10 0.10 0.01 2.63 1.01 0.08 -2.02 120.40 121.10 2kfy s VAL 85 Ca -0.12 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 2kfy s VAL 85 Cb -0.06 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.61 2kfy s VAL 85 CO 0.02 -0.43 0.62 0.12 0.00 0.00 0.00 175.10 175.42 2kfy s PHE 86 N -2.15 -0.57 0.52 5.22 2.19 -1.11 -4.60 117.98 117.48 2kfy s PHE 86 Ca -0.08 0.83 -0.20 0.00 0.33 0.00 0.00 56.93 57.80 2kfy s PHE 86 Cb -0.03 0.41 -0.07 0.00 -1.31 0.00 0.00 43.02 42.02 2kfy s PHE 86 CO -0.02 -0.65 1.10 0.21 1.83 0.00 0.00 175.22 177.69 2kfy s LYS 87 N -1.88 3.54 0.30 10.12 2.20 -1.26 -0.35 119.74 132.40 2kfy s LYS 87 Ca -0.08 1.52 0.07 0.00 -0.36 0.00 0.00 55.97 57.12 2kfy s LYS 87 Cb -0.01 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.23 2kfy s LYS 87 CO 0.03 -0.68 0.24 0.45 -0.36 0.00 0.00 175.35 175.04 2kfy n SER 88 N -1.13 -0.52 0.00 1.43 2.88 -0.62 -4.56 113.62 111.10 2kfy n SER 88 Ca 0.11 -2.94 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 2kfy n SER 88 Cb 0.51 1.45 0.00 0.00 -0.75 0.00 0.00 64.21 65.43 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 -0.58 0.00 0.00 0.66 1.44 -1.26 -2.43 115.22 113.05 2kfy n HIS 89 Ca 0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 2kfy n HIS 89 Cb 0.54 0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.69 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 -0.12 -1.40 0.63 -1.26 -4.72 116.66 109.78 2kfy n ARG 90 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 2kfy n ARG 90 Cb 0.47 -0.74 0.00 0.00 0.45 0.00 0.00 32.46 32.64 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 1.27 -0.45 5.15 2.02 -1.97 -0.99 112.91 117.94 2kfy h THR 91 Ca 0.00 -1.50 -0.12 0.00 0.77 0.00 0.00 66.41 65.56 2kfy h THR 91 Cb 0.00 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2kfy h THR 91 CO 0.00 0.50 -0.19 -0.08 0.37 0.00 0.00 175.52 176.12 2kfy h GLU 92 N 0.77 0.93 -0.36 6.66 4.81 -1.93 -2.92 114.58 122.55 2kfy h GLU 92 Ca 0.08 -0.40 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2kfy h GLU 92 Cb 0.91 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 2kfy h GLU 92 CO 0.08 1.05 0.22 1.98 -0.73 0.00 0.00 179.01 181.62 2kfy h MET 93 N 0.77 0.44 -0.11 1.92 4.05 -1.89 -2.56 114.93 117.55 2kfy h MET 93 Ca 0.10 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.44 2kfy h MET 93 Cb 0.76 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 2kfy h MET 93 CO 0.06 0.29 -0.19 0.22 0.23 0.00 0.00 176.91 177.52 2kfy h ASP 94 N 0.45 0.17 -0.00 1.39 3.58 -1.17 -2.10 116.42 118.75 2kfy h ASP 94 Ca 0.14 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 2kfy h ASP 94 Cb -0.03 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 2kfy h ASP 94 CO -0.05 0.38 -0.00 -0.25 -2.88 0.00 0.00 179.24 176.44 2kfy h TRP 95 N 0.17 0.01 0.00 0.28 7.01 -1.26 -3.24 115.95 118.91 2kfy h TRP 95 Ca 0.03 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2kfy h TRP 95 Cb 0.44 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 2kfy h TRP 95 CO 0.01 0.51 -0.06 -0.24 -2.79 0.00 0.00 178.44 175.87 2kfy h VAL 96 N -0.49 0.00 0.00 2.65 3.04 -1.48 -1.67 116.25 118.30 2kfy h VAL 96 Ca 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2kfy h VAL 96 Cb 0.51 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2kfy h VAL 96 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.74 2kfy n LEU 97 N -2.79 0.00 0.00 3.16 7.99 -0.79 -3.40 117.00 121.16 2kfy n LEU 97 Ca 0.04 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 2kfy n LEU 97 Cb 0.50 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2kfy n LEU 97 CO 0.33 -0.05 0.13 0.29 -1.51 0.00 0.00 177.39 176.57 2kfy n LYS 98 N -1.17 0.06 -3.66 3.23 5.02 -1.06 -5.07 118.16 115.51 2kfy n LYS 98 Ca 0.12 -0.27 -0.10 0.00 -2.02 0.00 0.00 58.31 56.04 2kfy n LYS 98 Cb 0.13 -0.56 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 2kfy n LYS 98 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2kfy s HIS 99 N -0.05 -0.27 0.17 2.13 2.46 -0.65 -5.08 115.29 114.00 2kfy s HIS 99 Ca 0.00 -0.05 -0.17 0.00 0.47 0.00 0.00 55.06 55.30 2kfy s HIS 99 Cb 0.00 0.51 0.03 0.00 -0.13 0.00 0.00 32.58 33.00 2kfy s HIS 99 CO 0.00 -0.96 0.48 -1.54 -2.47 0.00 0.00 174.74 170.25 2kfy s SER 100 N -2.84 -0.26 0.00 9.88 1.04 -1.26 -4.33 113.70 115.92 2kfy s SER 100 Ca 0.07 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2kfy s SER 100 Cb -0.02 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2kfy s SER 100 CO -0.04 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2kfy n GLY 101 N -0.30 -1.47 0.00 7.32 0.00 -1.26 -5.17 105.19 104.30 2kfy n GLY 101 Ca -0.12 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27