#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfj n LEU 2 N 0.00 0.17 -3.85 1.53 4.32 -1.26 -4.74 117.00 113.18 2kfj n LEU 2 Ca 0.00 -0.21 -0.42 0.00 -0.02 0.00 0.00 56.01 55.35 2kfj n LEU 2 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2kfj n LEU 2 CO 0.00 0.04 1.73 0.61 -1.22 0.00 0.00 177.39 178.56 2kfj n GLY 3 N 1.66 5.01 0.68 -0.72 0.00 -1.26 -4.89 105.19 105.67 2kfj n GLY 3 Ca -0.00 -2.29 -0.01 0.00 0.00 0.00 0.00 46.02 43.72 2kfj n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfj n SER 4 N 2.67 -0.33 -4.10 1.61 7.64 -1.26 -4.57 113.62 115.29 2kfj n SER 4 Ca 0.38 -1.19 -0.17 0.00 1.01 0.00 0.00 58.87 58.91 2kfj n SER 4 Cb 0.34 0.54 -0.13 0.00 -1.01 0.00 0.00 64.21 63.95 2kfj n SER 4 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kfj s ILE 5 N -2.56 0.83 0.12 0.44 1.01 -0.60 -4.96 121.20 115.47 2kfj s ILE 5 Ca 0.04 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 2kfj s ILE 5 Cb -0.01 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 2kfj s ILE 5 CO 0.01 -0.15 0.36 -0.22 0.00 0.00 0.00 174.94 174.94 2kfj s LEU 6 N -1.27 4.29 -0.18 2.97 1.98 -1.21 -1.19 118.68 124.07 2kfj s LEU 6 Ca -0.03 0.60 0.01 0.00 -2.89 0.00 0.00 54.13 51.82 2kfj s LEU 6 Cb -0.08 -3.19 0.03 0.00 0.66 0.00 0.00 46.19 43.61 2kfj s LEU 6 CO 0.01 0.09 -0.16 -0.36 -1.89 0.00 0.00 176.35 174.05 2kfj s PHE 7 N -1.58 2.55 -1.10 5.38 0.40 -0.53 0.12 117.98 123.21 2kfj s PHE 7 Ca 0.38 -1.55 -0.17 0.00 -0.60 0.00 0.00 56.93 55.00 2kfj s PHE 7 Cb -0.12 -1.76 0.14 0.00 0.51 0.00 0.00 43.02 41.78 2kfj s PHE 7 CO 0.23 -0.76 1.35 1.03 0.70 0.00 0.00 175.22 177.78 2kfj s ARG 8 N 1.36 3.86 -0.36 0.44 0.52 0.91 -2.76 118.95 122.92 2kfj s ARG 8 Ca 0.03 -2.11 -0.28 0.00 -0.52 0.00 0.00 55.73 52.84 2kfj s ARG 8 Cb -0.14 -5.08 -0.02 0.00 0.52 0.00 0.00 34.95 30.23 2kfj s ARG 8 CO -0.11 -1.85 1.76 0.42 0.02 0.00 0.00 175.30 175.54 2kfj s ILE 9 N 2.50 3.51 0.05 1.52 1.09 0.19 -0.19 121.20 129.89 2kfj s ILE 9 Ca 0.40 0.51 -0.17 0.00 -1.10 0.00 0.00 60.65 60.29 2kfj s ILE 9 Cb -0.03 -3.73 -0.06 0.00 -1.06 0.00 0.00 42.46 37.58 2kfj s ILE 9 CO -0.03 -0.49 0.50 -0.44 -0.10 0.00 0.00 174.94 174.38 2kfj s SER 10 N 6.02 6.94 0.06 3.58 0.01 0.12 -0.14 113.70 130.28 2kfj s SER 10 Ca 0.77 1.13 0.01 0.00 1.31 0.00 0.00 55.95 59.16 2kfj s SER 10 Cb -0.21 -2.31 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 2kfj s SER 10 CO 0.32 0.28 0.03 0.00 0.41 0.00 0.00 173.24 174.28 2kfj n TYR 11 N 1.65 -0.02 -2.17 2.43 9.36 0.13 0.19 117.16 128.73 2kfj n TYR 11 Ca -0.11 -0.42 -0.30 0.00 3.32 0.00 0.00 57.90 60.38 2kfj n TYR 11 Cb 0.51 0.01 -0.05 0.00 -0.63 0.00 0.00 39.34 39.19 2kfj n TYR 11 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2kfj s ASN 12 N -1.39 5.44 0.00 2.98 0.01 -1.25 -3.06 114.94 117.68 2kfj s ASN 12 Ca 0.04 -1.12 0.00 0.00 -0.71 0.00 0.00 52.86 51.07 2kfj s ASN 12 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2kfj s ASN 12 CO 0.03 -2.52 0.00 -0.24 -1.51 0.00 0.00 177.10 172.86 2kfj n SER 13 N 12.89 -3.14 -4.45 -1.22 2.88 -1.26 -4.98 113.62 114.35 2kfj n SER 13 Ca 0.40 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.71 2kfj n SER 13 Cb 0.47 -1.54 -0.10 0.00 -0.75 0.00 0.00 64.21 62.30 2kfj n SER 13 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2kfj s GLU 14 N -0.71 1.61 0.00 -1.46 2.12 -1.17 -5.15 118.70 113.95 2kfj s GLU 14 Ca 0.00 -1.71 0.01 0.00 0.36 0.00 0.00 54.97 53.62 2kfj s GLU 14 Cb 0.00 -1.70 -0.01 0.00 0.26 0.00 0.00 34.13 32.69 2kfj s GLU 14 CO 0.00 0.32 -0.03 0.42 -0.54 0.00 0.00 175.26 175.43 2kfj s ILE 15 N -2.45 0.19 0.05 -3.70 -1.09 -1.26 0.22 121.20 113.15 2kfj s ILE 15 Ca 0.28 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.43 2kfj s ILE 15 Cb -0.05 -0.20 -0.03 0.00 -1.58 0.00 0.00 42.46 40.60 2kfj s ILE 15 CO 0.13 -0.05 -0.05 0.12 -1.23 0.00 0.00 174.94 173.86 2kfj s PHE 16 N -0.33 0.54 0.13 3.97 2.19 0.80 -4.98 117.98 120.30 2kfj s PHE 16 Ca -0.02 -0.73 0.09 0.00 0.33 0.00 0.00 56.93 56.59 2kfj s PHE 16 Cb -0.03 -0.35 -0.04 0.00 -1.31 0.00 0.00 43.02 41.29 2kfj s PHE 16 CO -0.00 -0.21 -0.16 0.95 1.83 0.00 0.00 175.22 177.63 2kfj s THR 17 N -2.48 2.91 -0.24 0.12 -4.23 -1.26 -0.63 115.64 109.83 2kfj s THR 17 Ca -0.03 -1.54 -0.17 0.00 -1.18 0.00 0.00 61.69 58.77 2kfj s THR 17 Cb -0.02 -2.36 0.07 0.00 1.34 0.00 0.00 72.50 71.52 2kfj s THR 17 CO -0.04 0.05 0.61 -0.22 -0.54 0.00 0.00 174.62 174.49 2kfj s LEU 18 N -2.29 -0.56 -0.30 4.79 0.20 -1.11 -4.95 118.68 114.45 2kfj s LEU 18 Ca 0.19 1.29 -0.23 0.00 0.69 0.00 0.00 54.13 56.08 2kfj s LEU 18 Cb -0.10 2.09 -0.00 0.00 -0.43 0.00 0.00 46.19 47.74 2kfj s LEU 18 CO 0.11 -0.22 0.76 -0.22 -0.29 0.00 0.00 176.35 176.49 2kfj s LEU 19 N 1.09 4.09 -0.25 -0.68 1.98 -1.26 -1.46 118.68 122.19 2kfj s LEU 19 Ca -0.06 0.66 -0.02 0.00 -2.89 0.00 0.00 54.13 51.82 2kfj s LEU 19 Cb -0.05 -3.03 0.02 0.00 0.66 0.00 0.00 46.19 43.79 2kfj s LEU 19 CO -0.11 -0.57 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.05 2kfj s VAL 20 N 2.87 2.98 0.96 1.68 1.01 -0.34 -5.01 120.40 124.56 2kfj s VAL 20 Ca 0.31 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 2kfj s VAL 20 Cb -0.14 -2.52 0.17 0.00 0.00 0.00 0.00 36.38 33.89 2kfj s VAL 20 CO 0.12 0.19 1.09 -1.61 0.00 0.00 0.00 175.10 174.88 2kfj s GLU 21 N 1.34 0.71 -0.07 2.72 2.02 -1.26 -1.56 118.70 122.61 2kfj s GLU 21 Ca 0.00 0.80 0.09 0.00 0.02 0.00 0.00 54.97 55.89 2kfj s GLU 21 Cb -0.17 -1.75 0.37 0.00 0.10 0.00 0.00 34.13 32.69 2kfj s GLU 21 CO -0.04 -2.61 1.19 1.63 0.02 0.00 0.00 175.26 175.45 2kfj n LYS 22 N -4.13 2.46 -0.02 1.61 5.02 -1.26 -3.68 118.16 118.15 2kfj n LYS 22 Ca 0.06 -1.46 -0.03 0.00 -2.02 0.00 0.00 58.31 54.86 2kfj n LYS 22 Cb 0.55 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 2kfj n LYS 22 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2kfj n VAL 23 N 0.43 0.27 -1.16 -0.18 3.14 -1.26 -5.04 118.33 114.53 2kfj n VAL 23 Ca 0.13 -0.11 -0.37 0.00 -2.96 0.00 0.00 64.34 61.03 2kfj n VAL 23 Cb 0.54 -0.70 0.05 0.00 -1.06 0.00 0.00 33.84 32.67 2kfj n VAL 23 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 2kfj n TRP 24 N -2.57 -2.58 -3.87 1.45 8.01 -1.24 -4.99 117.44 111.65 2kfj n TRP 24 Ca -0.08 0.27 -0.12 0.00 -1.31 0.00 0.00 57.50 56.26 2kfj n TRP 24 Cb 0.59 -1.72 -0.01 0.00 -2.01 0.00 0.00 31.31 28.17 2kfj n TRP 24 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2kfj n ASN 25 N 1.40 2.02 0.26 -0.99 6.94 -1.26 -4.90 115.26 118.73 2kfj n ASN 25 Ca 0.06 -1.87 0.09 0.00 -0.02 0.00 0.00 54.58 52.84 2kfj n ASN 25 Cb 0.51 0.04 0.66 0.00 -2.36 0.00 0.00 39.78 38.63 2kfj n ASN 25 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 2kfj h PHE 26 N 0.74 0.00 0.22 -2.53 -5.15 -1.92 0.41 116.94 108.71 2kfj h PHE 26 Ca -0.16 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.60 2kfj h PHE 26 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.73 2kfj h PHE 26 CO 0.00 0.02 -0.11 0.22 -2.00 0.00 0.00 178.31 176.44 2kfj h ASP 27 N 0.00 -0.25 -0.77 -0.68 3.58 -1.94 -2.03 116.42 114.34 2kfj h ASP 27 Ca -0.00 0.01 0.17 0.00 0.42 0.00 0.00 57.03 57.63 2kfj h ASP 27 Cb 0.04 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 2kfj h ASP 27 CO 0.00 0.01 0.52 0.44 -2.88 0.00 0.00 179.24 177.33 2kfj h ASP 28 N -0.68 0.31 0.75 2.28 3.45 -1.91 0.15 116.42 120.76 2kfj h ASP 28 Ca -0.03 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.41 2kfj h ASP 28 Cb 0.23 -0.04 0.01 0.00 -0.56 0.00 0.00 39.33 38.97 2kfj h ASP 28 CO 0.05 0.15 -0.36 0.25 -1.57 0.00 0.00 179.24 177.76 2kfj h LEU 29 N 0.32 -0.86 -0.54 1.55 5.85 -0.21 0.91 115.31 122.33 2kfj h LEU 29 Ca 0.38 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.22 2kfj h LEU 29 Cb 1.01 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 2kfj h LEU 29 CO -0.11 -0.61 0.13 0.40 -0.34 0.00 0.00 178.44 177.91 2kfj h ILE 30 N -1.01 0.71 -0.27 4.05 1.08 -0.56 0.17 117.51 121.67 2kfj h ILE 30 Ca -0.10 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 2kfj h ILE 30 Cb 0.78 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 2kfj h ILE 30 CO 0.17 0.05 0.12 0.24 -0.69 0.00 0.00 178.15 178.04 2kfj h MET 31 N 0.27 0.37 0.31 2.37 2.86 -0.59 0.17 114.93 120.69 2kfj h MET 31 Ca 0.27 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2kfj h MET 31 Cb 0.37 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2kfj h MET 31 CO -0.34 0.30 -0.15 0.00 1.06 0.00 0.00 176.91 177.78 2kfj h ALA 32 N 1.76 -0.41 -0.65 6.32 0.00 0.38 0.49 119.26 127.14 2kfj h ALA 32 Ca 0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2kfj h ALA 32 Cb 0.06 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2kfj h ALA 32 CO -0.01 -0.72 0.10 0.82 0.00 0.00 0.00 179.25 179.45 2kfj h ILE 33 N -0.45 1.26 0.00 0.00 5.03 -0.90 0.13 117.51 122.57 2kfj h ILE 33 Ca -0.04 -1.03 0.00 0.00 -0.12 0.00 0.00 64.86 63.67 2kfj h ILE 33 Cb 0.34 0.64 0.00 0.00 -3.03 0.00 0.00 36.82 34.78 2kfj h ILE 33 CO 0.07 0.39 0.00 0.78 -0.68 0.00 0.00 178.15 178.70 2kfj h ASN 34 N 1.01 0.00 0.18 1.72 -0.26 -0.35 0.26 115.58 118.13 2kfj h ASN 34 Ca 0.20 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.59 2kfj h ASN 34 Cb 0.43 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.67 2kfj h ASN 34 CO 0.01 0.00 -2.00 -0.24 -1.06 0.00 0.00 177.43 174.14 2kfj n SER 35 N -2.38 1.82 0.05 5.81 2.88 0.17 -1.71 113.62 120.27 2kfj n SER 35 Ca 0.01 0.21 -0.11 0.00 -1.33 0.00 0.00 58.87 57.66 2kfj n SER 35 Cb 0.20 -0.62 0.01 0.00 -0.75 0.00 0.00 64.21 63.06 2kfj n SER 35 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2kfj h LYS 36 N 0.05 0.40 -0.01 -1.46 6.56 -0.30 -2.91 116.57 118.89 2kfj h LYS 36 Ca -0.42 -0.35 0.00 0.00 -1.06 0.00 0.00 60.65 58.82 2kfj h LYS 36 Cb 2.03 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 33.77 2kfj h LYS 36 CO 0.07 1.00 -0.22 0.44 -2.06 0.00 0.00 179.45 178.68 2kfj n ILE 37 N -3.81 0.00 -0.05 1.86 -5.35 0.86 -4.18 119.36 108.68 2kfj n ILE 37 Ca -0.05 -0.24 0.24 0.00 -0.27 0.00 0.00 62.75 62.43 2kfj n ILE 37 Cb 0.74 0.77 0.59 0.00 -1.74 0.00 0.00 39.64 40.00 2kfj n ILE 37 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2kfj h SER 38 N 2.23 0.00 -1.95 7.28 4.64 -1.12 0.13 113.55 124.77 2kfj h SER 38 Ca 0.00 0.00 0.57 0.00 -0.47 0.00 0.00 61.79 61.89 2kfj h SER 38 Cb 0.63 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.64 2kfj h SER 38 CO 0.00 0.00 1.41 -1.13 -0.87 0.00 0.00 176.83 176.24 2kfj h ASN 39 N 0.00 0.00 -3.56 4.97 -1.24 -1.78 -2.97 115.58 111.00 2kfj h ASN 39 Ca 0.33 0.00 -0.78 0.00 0.71 0.00 0.00 56.30 56.57 2kfj h ASN 39 Cb 2.00 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 40.80 2kfj h ASN 39 CO -0.00 0.00 -0.02 0.42 -1.29 0.00 0.00 177.43 176.54 2kfj s THR 40 N -4.86 5.47 -0.33 -3.57 -4.23 0.46 -4.91 115.64 103.67 2kfj s THR 40 Ca -0.05 -2.12 -0.02 0.00 -1.18 0.00 0.00 61.69 58.32 2kfj s THR 40 Cb 0.27 -4.42 0.12 0.00 1.34 0.00 0.00 72.50 69.80 2kfj s THR 40 CO 0.89 -0.97 2.41 1.41 -0.54 0.00 0.00 174.62 177.82 2kfj n HIS 41 N 4.44 1.39 -0.01 3.99 8.25 -1.12 -3.91 115.22 128.24 2kfj n HIS 41 Ca 0.04 -1.89 -0.03 0.00 -0.26 0.00 0.00 57.72 55.57 2kfj n HIS 41 Cb 0.44 -1.14 -0.01 0.00 1.12 0.00 0.00 29.99 30.40 2kfj n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2kfj n ILE 42 N 0.74 0.24 -2.93 1.59 -5.35 -1.26 -5.04 119.36 107.36 2kfj n ILE 42 Ca 0.37 -0.02 0.03 0.00 -0.27 0.00 0.00 62.75 62.86 2kfj n ILE 42 Cb 0.59 -1.55 0.00 0.00 -1.74 0.00 0.00 39.64 36.94 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2kfj s SER 43 N -5.34 -0.43 0.23 7.28 0.15 -1.25 -5.17 113.70 109.16 2kfj s SER 43 Ca -0.05 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2kfj s SER 43 Cb 0.02 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2kfj s SER 43 CO 0.06 -0.06 0.00 -0.81 1.20 0.00 0.00 173.24 173.63 2kfj n PRO 44 N 4.24 0.66 -4.40 5.44 -0.04 -1.26 -5.05 135.00 134.59 2kfj n PRO 44 Ca 0.07 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.20 2kfj n PRO 44 Cb 0.61 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.92 2kfj n PRO 44 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2kfj s ILE 45 N -0.23 2.80 -2.51 0.52 -5.25 -1.26 -4.97 121.20 110.31 2kfj s ILE 45 Ca 0.00 -0.72 0.23 0.00 -0.99 0.00 0.00 60.65 59.18 2kfj s ILE 45 Cb 0.00 -2.20 0.41 0.00 2.95 0.00 0.00 42.46 43.62 2kfj s ILE 45 CO 0.00 0.50 1.49 0.35 -1.79 0.00 0.00 174.94 175.49 2kfj n THR 46 N 4.18 0.22 -3.82 8.37 -2.24 -1.26 -4.77 114.28 114.96 2kfj n THR 46 Ca -0.19 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 60.99 2kfj n THR 46 Cb 0.51 0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 69.39 2kfj n THR 46 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2kfj s LYS 47 N -1.78 0.09 0.02 -0.78 0.00 -1.26 -4.96 119.74 111.07 2kfj s LYS 47 Ca 0.34 0.17 0.06 0.00 0.00 0.00 0.00 55.97 56.54 2kfj s LYS 47 Cb 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 37.83 38.00 2kfj s LYS 47 CO 0.30 -0.05 -0.18 0.96 0.00 0.00 0.00 175.35 176.38 2kfj s ILE 48 N 0.32 1.39 -0.51 3.79 -4.36 -1.18 -4.94 121.20 115.71 2kfj s ILE 48 Ca -0.02 -0.97 -0.05 0.00 -0.26 0.00 0.00 60.65 59.35 2kfj s ILE 48 Cb -0.03 -1.21 0.13 0.00 1.25 0.00 0.00 42.46 42.60 2kfj s ILE 48 CO -0.01 0.21 0.34 -0.75 0.24 0.00 0.00 174.94 174.97 2kfj s LYS 49 N -0.88 2.37 0.42 0.37 2.20 -1.17 0.18 119.74 123.23 2kfj s LYS 49 Ca 0.06 -2.06 -0.15 0.00 -0.36 0.00 0.00 55.97 53.46 2kfj s LYS 49 Cb -0.08 -3.76 -0.08 0.00 -1.51 0.00 0.00 37.83 32.40 2kfj s LYS 49 CO 0.01 -1.15 0.85 1.52 -0.36 0.00 0.00 175.35 176.22 2kfj s TYR 50 N 0.78 3.41 0.46 4.03 1.13 0.13 -1.28 117.35 126.02 2kfj s TYR 50 Ca 0.11 1.30 -0.18 0.00 -1.41 0.00 0.00 57.07 56.88 2kfj s TYR 50 Cb -0.22 -2.63 -0.09 0.00 -1.10 0.00 0.00 41.96 37.91 2kfj s TYR 50 CO -0.03 -0.13 0.95 -1.14 -2.51 0.00 0.00 175.55 172.69 2kfj s GLN 51 N -3.59 4.08 0.38 -3.49 0.74 0.12 0.01 119.66 117.90 2kfj s GLN 51 Ca 0.56 1.01 0.02 0.00 0.05 0.00 0.00 55.36 57.00 2kfj s GLN 51 Cb -0.10 -2.18 0.02 0.00 1.10 0.00 0.00 33.01 31.86 2kfj s GLN 51 CO 0.25 -0.13 0.20 -3.47 -0.55 0.00 0.00 175.29 171.59 2kfj n ASP 52 N -1.07 2.45 0.16 6.67 2.03 -0.98 -4.79 116.55 121.01 2kfj n ASP 52 Ca 0.07 -2.39 0.13 0.00 0.52 0.00 0.00 54.79 53.11 2kfj n ASP 52 Cb 0.54 0.05 0.45 0.00 -0.72 0.00 0.00 41.12 41.44 2kfj n ASP 52 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2kfj h GLU 53 N 0.00 0.00 -0.66 -0.67 4.11 -1.92 -2.50 114.58 112.95 2kfj h GLU 53 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2kfj h GLU 53 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2kfj h GLU 53 CO 0.41 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.02 2kfj n ASP 54 N -2.50 3.28 -3.62 3.06 4.64 -1.26 -4.88 116.55 115.27 2kfj n ASP 54 Ca 0.03 -2.37 -0.27 0.00 -1.38 0.00 0.00 54.79 50.80 2kfj n ASP 54 Cb 0.35 -0.51 0.01 0.00 -1.04 0.00 0.00 41.12 39.93 2kfj n ASP 54 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2kfj n GLY 55 N 0.62 -0.49 3.01 0.27 0.00 -0.94 -4.95 105.19 102.71 2kfj n GLY 55 Ca 0.15 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 2kfj n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfj s ASP 56 N -2.99 1.78 0.35 1.61 -0.00 -1.26 -4.91 116.67 111.24 2kfj s ASP 56 Ca 0.53 -0.29 -0.29 0.00 -0.00 0.00 0.00 52.55 52.50 2kfj s ASP 56 Cb -0.27 -0.82 -0.11 0.00 -0.00 0.00 0.00 42.92 41.73 2kfj s ASP 56 CO 0.65 0.02 1.39 -0.36 -0.00 0.00 0.00 175.17 176.86 2kfj s PHE 57 N 0.76 2.86 -0.00 4.23 0.08 -1.26 -2.31 117.98 122.34 2kfj s PHE 57 Ca -0.13 1.30 0.00 0.00 0.12 0.00 0.00 56.93 58.22 2kfj s PHE 57 Cb -0.15 -3.82 0.00 0.00 -0.57 0.00 0.00 43.02 38.47 2kfj s PHE 57 CO 0.03 -2.35 -0.01 0.14 -0.10 0.00 0.00 175.22 172.92 2kfj s VAL 58 N -1.07 0.07 0.69 -0.44 -7.23 0.10 -4.94 120.40 107.57 2kfj s VAL 58 Ca 0.51 -0.02 -0.16 0.00 -1.81 0.00 0.00 61.98 60.49 2kfj s VAL 58 Cb -0.43 -0.07 0.02 0.00 0.56 0.00 0.00 36.38 36.46 2kfj s VAL 58 CO 0.57 0.03 1.22 -0.69 -0.31 0.00 0.00 175.10 175.91 2kfj s VAL 59 N 0.04 2.33 -0.06 1.32 1.01 -1.26 0.22 120.40 124.00 2kfj s VAL 59 Ca -0.00 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 2kfj s VAL 59 Cb -0.01 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.55 2kfj s VAL 59 CO -0.00 -0.07 0.08 -0.22 0.00 0.00 0.00 175.10 174.88 2kfj s LEU 60 N -4.83 0.14 0.00 3.92 2.96 0.49 -4.71 118.68 116.65 2kfj s LEU 60 Ca 0.76 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2kfj s LEU 60 Cb -0.31 -0.10 0.02 0.00 0.50 0.00 0.00 46.19 46.31 2kfj s LEU 60 CO 0.42 -0.26 0.77 0.61 -1.32 0.00 0.00 176.35 176.57 2kfj n GLY 61 N 5.30 0.76 3.69 7.98 0.00 -1.26 -3.10 105.19 118.56 2kfj n GLY 61 Ca -0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 2kfj n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfj s SER 62 N -0.57 0.26 0.33 1.61 0.01 -1.26 -4.99 113.70 109.10 2kfj s SER 62 Ca 0.02 -1.18 0.22 0.00 1.31 0.00 0.00 55.95 56.31 2kfj s SER 62 Cb 0.02 0.75 0.19 0.00 0.21 0.00 0.00 66.02 67.19 2kfj s SER 62 CO -0.01 -1.48 1.39 -0.78 0.41 0.00 0.00 173.24 172.77 2kfj h ASP 63 N 2.06 0.00 0.83 2.44 3.58 -1.96 -2.51 116.42 120.87 2kfj h ASP 63 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2kfj h ASP 63 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2kfj h ASP 63 CO 0.38 0.09 -0.01 1.21 -2.88 0.00 0.00 179.24 178.03 2kfj n GLU 64 N -2.98 0.16 -0.01 0.28 2.13 -1.26 -0.41 120.64 118.55 2kfj n GLU 64 Ca 0.02 -0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.88 2kfj n GLU 64 Cb 0.58 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.70 2kfj n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kfj n ASP 65 N -1.42 2.56 0.02 4.31 10.43 -1.18 -3.42 116.55 127.86 2kfj n ASP 65 Ca 0.10 0.00 0.04 0.00 2.57 0.00 0.00 54.79 57.50 2kfj n ASP 65 Cb 0.30 1.41 -0.09 0.00 1.84 0.00 0.00 41.12 44.58 2kfj n ASP 65 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 2kfj n TRP 66 N -1.92 0.64 -0.09 1.24 -0.00 -0.95 -3.41 117.44 112.95 2kfj n TRP 66 Ca -0.03 0.20 -0.21 0.00 -0.00 0.00 0.00 57.50 57.46 2kfj n TRP 66 Cb 0.33 -0.91 -0.12 0.00 -0.00 0.00 0.00 31.31 30.61 2kfj n TRP 66 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 2kfj h ASN 67 N 0.00 0.04 -0.22 5.87 -1.24 -0.95 -3.09 115.58 115.99 2kfj h ASN 67 Ca -0.13 -0.60 0.06 0.00 0.71 0.00 0.00 56.30 56.34 2kfj h ASN 67 Cb 1.39 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.42 2kfj h ASN 67 CO 0.02 1.47 0.19 0.58 -1.29 0.00 0.00 177.43 178.41 2kfj h VAL 68 N -0.91 0.65 0.04 2.57 2.07 -1.73 0.36 116.25 119.31 2kfj h VAL 68 Ca -0.32 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 66.97 2kfj h VAL 68 Cb 1.34 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2kfj h VAL 68 CO -0.16 0.00 -1.01 0.00 0.02 0.00 0.00 177.57 176.42 2kfj h ALA 69 N 1.82 0.34 0.26 1.67 0.00 -1.68 -3.00 119.26 118.67 2kfj h ALA 69 Ca 0.10 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2kfj h ALA 69 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kfj h ALA 69 CO -0.00 0.92 -0.13 0.87 0.00 0.00 0.00 179.25 180.91 2kfj h LYS 70 N 0.13 -0.34 -0.09 0.00 1.57 -0.36 -2.37 116.57 115.11 2kfj h LYS 70 Ca -0.08 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2kfj h LYS 70 Cb 1.68 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 34.06 2kfj h LYS 70 CO 0.16 0.02 0.43 1.05 -0.57 0.00 0.00 179.45 180.54 2kfj h GLU 71 N -0.88 0.00 0.03 3.15 4.11 -0.73 0.85 114.58 121.11 2kfj h GLU 71 Ca -0.04 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.14 2kfj h GLU 71 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2kfj h GLU 71 CO 0.06 0.00 -1.32 1.98 0.07 0.00 0.00 179.01 179.80 2kfj h MET 72 N 0.00 0.06 -0.45 1.06 4.05 -1.36 -3.33 114.93 114.97 2kfj h MET 72 Ca 0.04 -0.11 0.04 0.00 -0.28 0.00 0.00 59.70 59.39 2kfj h MET 72 Cb 0.90 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.70 2kfj h MET 72 CO -0.00 0.89 0.22 -0.07 0.23 0.00 0.00 176.91 178.19 2kfj h LEU 73 N 0.02 0.32 -1.71 3.39 3.38 0.13 0.53 115.31 121.37 2kfj h LEU 73 Ca -0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2kfj h LEU 73 Cb 1.90 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.61 2kfj h LEU 73 CO 0.13 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.89 2kfj h ALA 74 N 1.24 1.00 0.00 1.53 0.00 -1.62 0.11 119.26 121.52 2kfj h ALA 74 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.81 2kfj h ALA 74 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2kfj h ALA 74 CO -0.14 0.00 -2.12 0.39 0.00 0.00 0.00 179.25 177.38 2kfj n GLU 75 N -2.43 0.67 -0.27 0.00 1.02 0.11 -4.03 120.64 115.72 2kfj n GLU 75 Ca -0.02 0.05 0.05 0.00 -0.02 0.00 0.00 57.16 57.22 2kfj n GLU 75 Cb 0.05 -1.60 0.17 0.00 -0.02 0.00 0.00 31.44 30.04 2kfj n GLU 75 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kfj n ASN 76 N -2.76 2.39 -2.92 1.62 3.02 0.14 -4.86 115.26 111.90 2kfj n ASN 76 Ca -0.24 -2.17 -0.09 0.00 -0.03 0.00 0.00 54.58 52.04 2kfj n ASN 76 Cb 1.04 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.82 2kfj n ASN 76 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2kfj n ASN 77 N 0.43 -1.28 -4.50 6.41 3.02 -0.53 -4.86 115.26 113.93 2kfj n ASN 77 Ca 0.12 0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.49 2kfj n ASN 77 Cb 0.45 -1.21 -0.12 0.00 -0.61 0.00 0.00 39.78 38.29 2kfj n ASN 77 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2kfj s GLU 78 N -5.46 2.17 -0.09 3.52 -1.05 -0.99 -5.01 118.70 111.78 2kfj s GLU 78 Ca 0.17 -0.94 0.13 0.00 -0.15 0.00 0.00 54.97 54.19 2kfj s GLU 78 Cb -0.10 -2.27 0.41 0.00 -0.44 0.00 0.00 34.13 31.73 2kfj s GLU 78 CO 0.21 0.55 1.33 1.63 0.95 0.00 0.00 175.26 179.92 2kfj n LYS 79 N 1.40 2.86 -3.25 -4.83 4.76 -1.26 -4.48 118.16 113.36 2kfj n LYS 79 Ca -0.16 -2.44 -0.14 0.00 -2.87 0.00 0.00 58.31 52.71 2kfj n LYS 79 Cb 0.52 -1.55 -0.04 0.00 -1.84 0.00 0.00 35.03 32.13 2kfj n LYS 79 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 2kfj n PHE 80 N -0.08 0.22 -3.85 2.13 1.16 -1.26 -3.35 117.46 112.43 2kfj n PHE 80 Ca 0.16 -1.30 -0.10 0.00 -1.87 0.00 0.00 57.45 54.35 2kfj n PHE 80 Cb 0.66 -0.05 -0.06 0.00 -1.61 0.00 0.00 39.48 38.42 2kfj n PHE 80 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2kfj s LEU 81 N 0.00 0.76 -0.09 5.98 1.98 0.12 -4.83 118.68 122.60 2kfj s LEU 81 Ca 0.07 -0.67 -0.01 0.00 -2.89 0.00 0.00 54.13 50.64 2kfj s LEU 81 Cb 0.00 1.47 0.03 0.00 0.66 0.00 0.00 46.19 48.35 2kfj s LEU 81 CO 0.05 -0.90 -0.05 0.21 -1.89 0.00 0.00 176.35 173.78 2kfj s ASN 82 N -2.91 1.87 0.30 3.68 2.47 -1.26 -0.06 114.94 119.02 2kfj s ASN 82 Ca 0.11 -0.21 0.09 0.00 0.42 0.00 0.00 52.86 53.27 2kfj s ASN 82 Cb 0.02 -0.67 -0.04 0.00 -1.45 0.00 0.00 41.25 39.11 2kfj s ASN 82 CO -0.04 -0.14 0.03 -0.63 -3.72 0.00 0.00 177.10 172.60 2kfj s ILE 83 N 1.71 3.18 -0.03 -5.21 -1.09 0.73 0.11 121.20 120.60 2kfj s ILE 83 Ca 0.03 -1.88 0.05 0.00 -2.23 0.00 0.00 60.65 56.61 2kfj s ILE 83 Cb -0.13 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.89 2kfj s ILE 83 CO -0.06 -0.30 -0.16 -0.60 -1.23 0.00 0.00 174.94 172.59 2kfj s ARG 84 N -3.72 1.54 -0.32 2.79 3.52 -0.41 0.10 118.95 122.46 2kfj s ARG 84 Ca 0.33 -0.58 -0.02 0.00 -0.13 0.00 0.00 55.73 55.33 2kfj s ARG 84 Cb -0.04 -1.40 0.11 0.00 -1.56 0.00 0.00 34.95 32.06 2kfj s ARG 84 CO 0.20 0.28 0.15 -0.51 -0.81 0.00 0.00 175.30 174.62 2kfj s LEU 85 N -0.13 1.10 0.00 -0.88 1.43 0.50 -3.07 118.68 117.64 2kfj s LEU 85 Ca 0.01 -1.66 0.00 0.00 -1.03 0.00 0.00 54.13 51.44 2kfj s LEU 85 Cb -0.09 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.63 2kfj s LEU 85 CO 0.01 -0.39 0.25 0.00 0.23 0.00 0.00 176.35 176.45