#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 -2.94 1.53 4.77 -1.26 -4.77 117.00 114.16 2kfj n LEU 2 Ca 0.00 0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 56.11 2kfj n LEU 2 Cb 0.00 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 39.93 2kfj n LEU 2 CO 0.00 -0.03 0.21 0.61 -1.33 0.00 0.00 177.39 176.85 2kfj n GLY 3 N -0.49 5.67 3.04 -0.72 0.00 -1.26 -5.03 105.19 106.40 2kfj n GLY 3 Ca -0.02 -2.78 -0.15 0.00 0.00 0.00 0.00 46.02 43.07 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 -0.26 -1.08 -3.95 1.61 7.64 -1.26 -3.82 113.62 112.50 2kfj n SER 4 Ca 0.32 -2.81 -0.11 0.00 1.01 0.00 0.00 58.87 57.28 2kfj n SER 4 Cb 0.40 2.11 -0.12 0.00 -1.01 0.00 0.00 64.21 65.58 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 -2.91 0.13 0.18 0.44 1.01 0.39 -4.89 121.20 115.56 2kfj s ILE 5 Ca 0.29 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 2kfj s ILE 5 Cb -0.00 -0.22 -0.07 0.00 0.01 0.00 0.00 42.46 42.18 2kfj s ILE 5 CO 0.21 -0.29 0.51 -0.22 0.00 0.00 0.00 174.94 175.15 2kfj s LEU 6 N -0.93 4.25 -0.14 2.97 1.98 -1.25 -0.79 118.68 124.76 2kfj s LEU 6 Ca -0.09 0.92 -0.00 0.00 -2.89 0.00 0.00 54.13 52.06 2kfj s LEU 6 Cb -0.06 -3.43 0.03 0.00 0.66 0.00 0.00 46.19 43.38 2kfj s LEU 6 CO -0.01 0.02 -0.10 -0.36 -1.89 0.00 0.00 176.35 174.02 2kfj s PHE 7 N -1.64 1.83 -0.26 5.38 0.40 0.23 0.88 117.98 124.79 2kfj s PHE 7 Ca 0.42 -1.03 -0.21 0.00 -0.60 0.00 0.00 56.93 55.51 2kfj s PHE 7 Cb -0.13 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 2kfj s PHE 7 CO 0.20 -0.60 0.68 1.03 0.70 0.00 0.00 175.22 177.23 2kfj s ARG 8 N 1.60 4.09 -0.73 0.44 1.81 -0.84 -0.69 118.95 124.62 2kfj s ARG 8 Ca 0.04 0.60 -0.15 0.00 -1.72 0.00 0.00 55.73 54.50 2kfj s ARG 8 Cb -0.13 -3.66 0.19 0.00 -0.45 0.00 0.00 34.95 30.89 2kfj s ARG 8 CO -0.09 -0.47 0.68 0.42 -0.68 0.00 0.00 175.30 175.15 2kfj s ILE 9 N 2.62 5.47 -0.35 1.52 -1.09 -1.11 0.90 121.20 129.16 2kfj s ILE 9 Ca 0.28 -2.16 -0.21 0.00 -2.23 0.00 0.00 60.65 56.33 2kfj s ILE 9 Cb -0.15 -4.42 0.00 0.00 -1.58 0.00 0.00 42.46 36.31 2kfj s ILE 9 CO 0.09 -0.98 0.68 -0.94 -1.23 0.00 0.00 174.94 172.57 2kfj s SER 10 N 2.62 6.48 0.36 3.58 1.04 -0.85 -0.53 113.70 126.40 2kfj s SER 10 Ca 0.13 0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.86 2kfj s SER 10 Cb -0.17 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 2kfj s SER 10 CO -0.05 -0.62 0.13 -0.47 0.98 0.00 0.00 173.24 173.21 2kfj s TYR 11 N 2.82 1.76 0.53 5.02 5.04 0.06 0.31 117.35 132.89 2kfj s TYR 11 Ca 0.27 -1.25 0.47 0.00 -2.44 0.00 0.00 57.07 54.11 2kfj s TYR 11 Cb -0.14 -1.09 1.61 0.00 0.35 0.00 0.00 41.96 42.69 2kfj s TYR 11 CO 0.15 -0.31 1.47 -1.71 -1.34 0.00 0.00 175.55 173.81 2kfj n ASN 12 N -1.08 0.00 0.00 4.32 5.15 -1.26 -1.56 115.26 120.83 2kfj n ASN 12 Ca -0.03 0.93 0.00 0.00 -0.60 0.00 0.00 54.58 54.88 2kfj n ASN 12 Cb 0.65 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 2kfj n ASN 12 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2kfj n SER 13 N -3.78 0.00 0.00 1.20 2.88 -1.26 -5.09 113.62 107.56 2kfj n SER 13 Ca 0.41 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2kfj n SER 13 Cb 1.90 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 65.36 2kfj n SER 13 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2kfj n GLU 14 N -0.48 0.00 -3.35 -1.46 0.28 -0.60 -5.14 120.64 109.89 2kfj n GLU 14 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 2kfj n GLU 14 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 2kfj n GLU 14 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2kfj s ILE 15 N -2.48 5.09 0.24 3.84 -1.09 -1.26 -0.76 121.20 124.79 2kfj s ILE 15 Ca 0.00 0.97 0.02 0.00 -2.23 0.00 0.00 60.65 59.41 2kfj s ILE 15 Cb 0.00 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2kfj s ILE 15 CO 0.00 0.41 0.18 0.33 -1.23 0.00 0.00 174.94 174.63 2kfj n PHE 16 N 3.02 -1.13 -3.75 3.97 7.35 0.30 -4.84 117.46 122.38 2kfj n PHE 16 Ca -0.09 -1.02 -0.17 0.00 -0.76 0.00 0.00 57.45 55.41 2kfj n PHE 16 Cb 0.52 -0.20 -0.17 0.00 0.35 0.00 0.00 39.48 39.98 2kfj n PHE 16 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2kfj s THR 17 N -1.18 -0.04 -0.12 -2.13 -4.23 -1.25 -2.77 115.64 103.92 2kfj s THR 17 Ca 0.14 0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.89 2kfj s THR 17 Cb -0.01 -0.13 0.04 0.00 1.34 0.00 0.00 72.50 73.74 2kfj s THR 17 CO 0.09 0.13 0.05 -0.22 -0.54 0.00 0.00 174.62 174.13 2kfj s LEU 18 N 1.45 0.51 -0.40 4.79 1.98 0.13 -4.95 118.68 122.20 2kfj s LEU 18 Ca -0.04 -0.35 -0.29 0.00 -2.89 0.00 0.00 54.13 50.56 2kfj s LEU 18 Cb -0.13 -0.33 0.02 0.00 0.66 0.00 0.00 46.19 46.41 2kfj s LEU 18 CO -0.03 -0.28 1.20 -0.22 -1.89 0.00 0.00 176.35 175.13 2kfj s LEU 19 N 2.05 3.74 -0.10 -0.68 1.98 -1.26 -0.60 118.68 123.81 2kfj s LEU 19 Ca 0.03 0.80 0.04 0.00 -2.89 0.00 0.00 54.13 52.10 2kfj s LEU 19 Cb -0.14 -3.54 -0.00 0.00 0.66 0.00 0.00 46.19 43.16 2kfj s LEU 19 CO -0.06 -1.17 -0.23 0.54 -1.89 0.00 0.00 176.35 173.54 2kfj s VAL 20 N 4.42 2.13 0.95 1.68 0.11 0.03 -4.99 120.40 124.72 2kfj s VAL 20 Ca 0.51 -1.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.45 2kfj s VAL 20 Cb -0.11 -1.81 0.16 0.00 -1.53 0.00 0.00 36.38 33.09 2kfj s VAL 20 CO 0.26 0.56 1.09 -1.61 -3.33 0.00 0.00 175.10 172.07 2kfj s GLU 21 N 0.32 0.81 -0.02 1.54 2.02 -1.26 -0.46 118.70 121.65 2kfj s GLU 21 Ca -0.18 0.67 0.08 0.00 0.02 0.00 0.00 54.97 55.56 2kfj s GLU 21 Cb -0.18 -1.77 0.27 0.00 0.10 0.00 0.00 34.13 32.56 2kfj s GLU 21 CO 0.09 -2.51 1.17 1.63 0.02 0.00 0.00 175.26 175.65 2kfj n LYS 22 N -4.05 1.86 -0.04 1.61 5.02 -1.25 -3.45 118.16 117.87 2kfj n LYS 22 Ca 0.06 -1.10 -0.05 0.00 -2.02 0.00 0.00 58.31 55.20 2kfj n LYS 22 Cb 0.56 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 34.17 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 0.34 0.55 -1.54 -0.18 3.14 -1.26 -4.93 118.33 114.45 2kfj n VAL 23 Ca 0.10 -0.30 -0.40 0.00 -2.96 0.00 0.00 64.34 60.78 2kfj n VAL 23 Cb 0.33 -0.81 -0.05 0.00 -1.06 0.00 0.00 33.84 32.24 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 -2.44 1.40 -0.68 1.45 7.02 -1.22 -4.90 117.44 118.07 2kfj n TRP 24 Ca -0.14 0.14 -0.31 0.00 -1.02 0.00 0.00 57.50 56.17 2kfj n TRP 24 Cb 0.74 -2.60 0.27 0.00 -2.42 0.00 0.00 31.31 27.30 2kfj n TRP 24 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2kfj s ASN 25 N 10.61 -0.47 0.28 -0.99 4.22 -1.26 -4.27 114.94 123.04 2kfj s ASN 25 Ca 1.06 0.66 0.01 0.00 -2.14 0.00 0.00 52.86 52.44 2kfj s ASN 25 Cb -0.44 -0.88 0.65 0.00 1.28 0.00 0.00 41.25 41.85 2kfj s ASN 25 CO 0.34 -4.98 1.68 2.19 -2.04 0.00 0.00 177.10 174.29 2kfj h PHE 26 N -3.16 0.48 0.85 1.54 -5.15 -1.91 1.22 116.94 110.81 2kfj h PHE 26 Ca -0.42 0.04 -0.04 0.00 -0.20 0.00 0.00 57.97 57.36 2kfj h PHE 26 Cb 1.31 -0.08 0.01 0.00 0.22 0.00 0.00 35.95 37.42 2kfj h PHE 26 CO -3.26 -0.09 -0.41 0.22 -2.00 0.00 0.00 178.31 172.77 2kfj h ASP 27 N 0.32 -0.96 -0.00 -0.68 3.58 -1.89 0.15 116.42 116.94 2kfj h ASP 27 Ca 0.52 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.99 2kfj h ASP 27 Cb 0.97 0.25 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 2kfj h ASP 27 CO -0.55 -0.65 0.03 -0.78 -2.88 0.00 0.00 179.24 174.40 2kfj h ASP 28 N -1.20 0.00 0.34 2.28 1.82 -1.50 -1.67 116.42 116.49 2kfj h ASP 28 Ca -0.12 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 2kfj h ASP 28 Cb 0.88 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.89 2kfj h ASP 28 CO 0.19 0.00 -0.16 0.25 -1.61 0.00 0.00 179.24 177.91 2kfj h LEU 29 N 0.00 -0.38 -0.68 2.28 5.85 0.24 -2.05 115.31 120.57 2kfj h LEU 29 Ca 0.00 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.84 2kfj h LEU 29 Cb 0.06 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.08 2kfj h LEU 29 CO -0.00 0.07 0.11 0.40 -0.34 0.00 0.00 178.44 178.68 2kfj h ILE 30 N -1.10 0.52 0.00 4.05 1.08 -0.11 0.91 117.51 122.85 2kfj h ILE 30 Ca -0.05 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 2kfj h ILE 30 Cb 0.38 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.42 2kfj h ILE 30 CO 0.08 0.04 -0.06 0.24 -0.69 0.00 0.00 178.15 177.75 2kfj h MET 31 N 0.22 0.00 0.73 2.37 2.86 -1.39 -0.64 114.93 119.07 2kfj h MET 31 Ca 0.37 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.98 2kfj h MET 31 Cb 0.62 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.28 2kfj h MET 31 CO -0.51 0.06 -0.35 0.00 1.06 0.00 0.00 176.91 177.18 2kfj h ALA 32 N 1.94 -1.11 -0.50 6.32 0.00 0.16 -1.78 119.26 124.29 2kfj h ALA 32 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kfj h ALA 32 Cb 0.17 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2kfj h ALA 32 CO 0.01 -1.04 0.31 0.82 0.00 0.00 0.00 179.25 179.36 2kfj h ILE 33 N -1.11 1.09 -0.14 0.00 5.03 -1.25 0.96 117.51 122.09 2kfj h ILE 33 Ca -0.10 -0.22 0.04 0.00 -0.12 0.00 0.00 64.86 64.46 2kfj h ILE 33 Cb 0.75 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 34.93 2kfj h ILE 33 CO 0.16 0.12 0.41 0.78 -0.68 0.00 0.00 178.15 178.94 2kfj h ASN 34 N 0.63 0.00 0.10 1.72 -0.26 -1.08 0.61 115.58 117.30 2kfj h ASN 34 Ca 0.19 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.70 2kfj h ASN 34 Cb -0.02 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.26 2kfj h ASN 34 CO -0.07 0.00 -1.00 -1.28 -1.06 0.00 0.00 177.43 174.03 2kfj h SER 35 N 0.00 0.71 -0.15 5.81 0.87 0.12 0.14 113.55 121.05 2kfj h SER 35 Ca 0.06 -0.84 -0.12 0.00 -1.23 0.00 0.00 61.79 59.66 2kfj h SER 35 Cb 0.89 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2kfj h SER 35 CO -0.00 1.47 -0.32 0.11 -0.53 0.00 0.00 176.83 177.56 2kfj h LYS 36 N 0.04 0.64 -0.01 2.24 6.56 0.30 -2.06 116.57 124.29 2kfj h LYS 36 Ca -0.15 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2kfj h LYS 36 Cb 1.71 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.36 2kfj h LYS 36 CO 0.19 0.88 -0.07 0.44 -2.06 0.00 0.00 179.45 178.83 2kfj n ILE 37 N -4.07 0.00 0.27 1.86 -5.35 0.28 -3.90 119.36 108.46 2kfj n ILE 37 Ca -0.01 -0.20 0.15 0.00 -0.27 0.00 0.00 62.75 62.43 2kfj n ILE 37 Cb 0.47 0.39 0.81 0.00 -1.74 0.00 0.00 39.64 39.58 2kfj n ILE 37 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2kfj h SER 38 N 1.85 0.00 0.00 7.28 0.87 0.04 -3.02 113.55 120.56 2kfj h SER 38 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kfj h SER 38 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2kfj h SER 38 CO 0.00 0.00 0.00 -3.20 -0.53 0.00 0.00 176.83 173.10 2kfj n ASN 39 N -2.68 0.00 0.25 6.23 5.15 -1.25 -2.14 115.26 120.82 2kfj n ASN 39 Ca -0.02 0.91 -0.16 0.00 -0.60 0.00 0.00 54.58 54.72 2kfj n ASN 39 Cb 0.22 -0.41 -0.08 0.00 -0.53 0.00 0.00 39.78 38.98 2kfj n ASN 39 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfj h THR 40 N 0.00 0.37 -4.52 -0.44 1.03 -1.88 -3.46 112.91 104.00 2kfj h THR 40 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 2kfj h THR 40 Cb 0.00 0.37 0.09 0.00 -1.07 0.00 0.00 68.15 67.54 2kfj h THR 40 CO 0.00 0.00 -0.54 1.57 -0.01 0.00 0.00 175.52 176.54 2kfj n HIS 41 N -5.43 -2.09 -0.00 0.00 -0.00 -0.91 -4.88 115.22 101.91 2kfj n HIS 41 Ca -0.10 0.68 -0.01 0.00 -0.00 0.00 0.00 57.72 58.29 2kfj n HIS 41 Cb 0.33 -4.20 -0.00 0.00 -0.00 0.00 0.00 29.99 26.12 2kfj n HIS 41 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2kfj n ILE 42 N -4.48 0.04 -3.33 3.57 -6.64 -1.26 -4.98 119.36 102.28 2kfj n ILE 42 Ca -0.04 -0.01 -0.12 0.00 -1.77 0.00 0.00 62.75 60.81 2kfj n ILE 42 Cb 0.57 -0.73 -0.06 0.00 -1.44 0.00 0.00 39.64 37.98 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2kfj s SER 43 N -4.28 0.63 0.23 7.28 0.15 -1.26 -5.15 113.70 111.30 2kfj s SER 43 Ca -0.01 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.70 2kfj s SER 43 Cb 0.00 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 2kfj s SER 43 CO 0.02 -0.30 0.00 -0.81 1.20 0.00 0.00 173.24 173.34 2kfj n PRO 44 N 4.82 0.66 -3.51 5.44 -0.04 -1.26 -5.08 135.00 136.02 2kfj n PRO 44 Ca 0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.33 2kfj n PRO 44 Cb 0.48 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.31 -0.71 0.52 -5.25 -1.26 -4.99 121.20 108.97 2kfj s ILE 45 Ca 0.00 -0.09 0.25 0.00 -0.99 0.00 0.00 60.65 59.82 2kfj s ILE 45 Cb 0.00 -0.65 0.11 0.00 2.95 0.00 0.00 42.46 44.87 2kfj s ILE 45 CO 0.00 -0.18 1.46 0.35 -1.79 0.00 0.00 174.94 174.78 2kfj n THR 46 N 5.32 0.36 -4.11 8.37 -2.24 -1.26 -4.73 114.28 115.98 2kfj n THR 46 Ca -0.06 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.14 2kfj n THR 46 Cb 0.50 -0.22 -0.14 0.00 -2.10 0.00 0.00 70.33 68.36 2kfj n THR 46 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kfj s LYS 47 N -3.13 3.33 0.34 -0.78 -0.14 -1.26 -4.76 119.74 113.34 2kfj s LYS 47 Ca 0.08 -0.66 0.05 0.00 -1.36 0.00 0.00 55.97 54.08 2kfj s LYS 47 Cb 0.14 -2.87 -0.07 0.00 -1.68 0.00 0.00 37.83 33.35 2kfj s LYS 47 CO 0.68 -0.11 0.02 0.96 -0.76 0.00 0.00 175.35 176.15 2kfj s ILE 48 N 1.21 1.49 -0.25 2.17 -4.36 -1.17 -4.93 121.20 115.36 2kfj s ILE 48 Ca 0.02 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2kfj s ILE 48 Cb -0.14 -2.79 0.07 0.00 1.25 0.00 0.00 42.46 40.84 2kfj s ILE 48 CO -0.03 -0.05 0.00 -0.54 0.24 0.00 0.00 174.94 174.56 2kfj s LYS 49 N -3.81 1.25 0.09 0.37 1.02 -1.15 -0.01 119.74 117.50 2kfj s LYS 49 Ca 0.35 -0.96 -0.04 0.00 0.02 0.00 0.00 55.97 55.34 2kfj s LYS 49 Cb 0.08 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.91 2kfj s LYS 49 CO 0.16 -0.70 0.30 1.52 -0.92 0.00 0.00 175.35 175.70 2kfj s TYR 50 N 1.49 3.51 0.41 3.18 1.13 0.33 0.91 117.35 128.31 2kfj s TYR 50 Ca -0.01 0.46 -0.23 0.00 -1.41 0.00 0.00 57.07 55.88 2kfj s TYR 50 Cb -0.18 -1.92 -0.09 0.00 -1.10 0.00 0.00 41.96 38.66 2kfj s TYR 50 CO -0.10 0.52 1.01 -1.14 -2.51 0.00 0.00 175.55 173.33 2kfj s GLN 51 N -2.42 4.17 0.16 -3.49 0.74 0.66 -0.52 119.66 118.96 2kfj s GLN 51 Ca 0.36 1.35 0.01 0.00 0.05 0.00 0.00 55.36 57.14 2kfj s GLN 51 Cb -0.13 -2.40 0.01 0.00 1.10 0.00 0.00 33.01 31.60 2kfj s GLN 51 CO 0.24 -0.11 0.11 -3.47 -0.55 0.00 0.00 175.29 171.51 2kfj n ASP 52 N -0.30 1.59 0.13 6.67 2.03 -1.24 -4.80 116.55 120.63 2kfj n ASP 52 Ca 0.06 -1.56 0.01 0.00 0.52 0.00 0.00 54.79 53.81 2kfj n ASP 52 Cb 0.51 -0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.24 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 0.19 -0.55 -0.67 -0.00 -1.91 -1.05 114.58 110.58 2kfj h GLU 53 Ca -0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 2kfj h GLU 53 Cb 0.37 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.11 2kfj h GLU 53 CO 0.16 0.46 0.00 -3.47 -0.00 0.00 0.00 179.01 176.16 2kfj n ASP 54 N -4.15 2.44 -1.03 3.06 4.64 -1.26 -4.85 116.55 115.40 2kfj n ASP 54 Ca -0.01 -2.19 -0.12 0.00 -1.38 0.00 0.00 54.79 51.09 2kfj n ASP 54 Cb 0.37 -0.39 -0.05 0.00 -1.04 0.00 0.00 41.12 40.01 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 0.71 1.13 3.50 0.27 0.00 -0.40 -4.89 105.19 105.51 2kfj n GLY 55 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.21 6.31 -0.24 1.61 1.01 -1.26 -4.71 116.67 117.18 2kfj s ASP 56 Ca 0.00 -0.50 -0.38 0.00 0.71 0.00 0.00 52.55 52.37 2kfj s ASP 56 Cb 0.00 -2.39 -0.14 0.00 1.01 0.00 0.00 42.92 41.40 2kfj s ASP 56 CO 0.00 -1.10 1.82 2.22 0.21 0.00 0.00 175.17 178.32 2kfj n PHE 57 N 7.02 2.10 -4.40 4.23 1.16 -1.26 -3.66 117.46 122.65 2kfj n PHE 57 Ca -0.01 0.37 -0.26 0.00 -1.87 0.00 0.00 57.45 55.68 2kfj n PHE 57 Cb 0.47 -2.52 -0.13 0.00 -1.61 0.00 0.00 39.48 35.69 2kfj n PHE 57 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 2kfj s VAL 58 N 4.02 1.95 0.42 1.97 -7.23 0.32 -4.94 120.40 116.91 2kfj s VAL 58 Ca 0.98 -1.59 -0.23 0.00 -1.81 0.00 0.00 61.98 59.33 2kfj s VAL 58 Cb -0.96 -1.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.16 2kfj s VAL 58 CO 0.61 0.05 1.06 0.54 -0.31 0.00 0.00 175.10 177.04 2kfj s VAL 59 N -1.07 3.69 -0.05 1.32 0.11 -1.26 0.12 120.40 123.27 2kfj s VAL 59 Ca 0.10 1.24 -0.00 0.00 -2.93 0.00 0.00 61.98 60.38 2kfj s VAL 59 Cb -0.10 -3.61 0.03 0.00 -1.53 0.00 0.00 36.38 31.16 2kfj s VAL 59 CO 0.05 -0.05 -0.00 -0.22 -3.33 0.00 0.00 175.10 171.55 2kfj s LEU 60 N -2.84 0.90 0.00 2.54 2.96 0.98 -4.77 118.68 118.45 2kfj s LEU 60 Ca 0.60 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 2kfj s LEU 60 Cb -0.21 -0.35 0.00 0.00 0.50 0.00 0.00 46.19 46.13 2kfj s LEU 60 CO 0.26 -0.14 0.71 0.61 -1.32 0.00 0.00 176.35 176.47 2kfj n GLY 61 N 4.60 0.28 3.56 7.98 0.00 -1.26 -3.05 105.19 117.29 2kfj n GLY 61 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2kfj n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfj n SER 62 N 0.00 -2.08 0.09 1.61 7.64 -1.26 -4.98 113.62 114.63 2kfj n SER 62 Ca -0.19 -2.57 -0.04 0.00 1.01 0.00 0.00 58.87 57.07 2kfj n SER 62 Cb 0.56 3.51 -0.01 0.00 -1.01 0.00 0.00 64.21 67.26 2kfj n SER 62 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2kfj h ASP 63 N 1.90 0.00 -0.42 6.43 3.58 -1.96 -1.38 116.42 124.58 2kfj h ASP 63 Ca -0.31 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.02 2kfj h ASP 63 Cb 1.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 2kfj h ASP 63 CO 0.40 0.84 -0.15 1.05 -2.88 0.00 0.00 179.24 178.50 2kfj h GLU 64 N 0.00 0.90 0.00 0.28 4.11 -1.97 1.34 114.58 119.25 2kfj h GLU 64 Ca -0.01 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 59.08 2kfj h GLU 64 Cb 1.52 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2kfj h GLU 64 CO 0.11 0.99 -0.35 -0.25 0.07 0.00 0.00 179.01 179.58 2kfj n ASP 65 N -4.13 0.71 0.02 3.06 10.43 -1.20 -0.08 116.55 125.35 2kfj n ASP 65 Ca 0.01 0.30 0.04 0.00 2.57 0.00 0.00 54.79 57.71 2kfj n ASP 65 Cb 0.41 -0.24 -0.10 0.00 1.84 0.00 0.00 41.12 43.03 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 -2.13 0.57 -0.11 1.24 -0.00 -0.52 -3.30 117.44 113.20 2kfj n TRP 66 Ca 0.04 0.18 -0.21 0.00 -0.00 0.00 0.00 57.50 57.51 2kfj n TRP 66 Cb 0.43 -0.88 -0.09 0.00 -0.00 0.00 0.00 31.31 30.76 2kfj n TRP 66 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2kfj n ASN 67 N -2.65 1.88 0.17 5.87 3.02 0.46 -2.87 115.26 121.14 2kfj n ASN 67 Ca -0.09 0.42 0.12 0.00 -0.03 0.00 0.00 54.58 55.00 2kfj n ASN 67 Cb 0.74 -0.90 0.60 0.00 -0.61 0.00 0.00 39.78 39.61 2kfj n ASN 67 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2kfj h VAL 68 N -1.00 0.00 0.10 2.41 2.07 -0.66 0.36 116.25 119.53 2kfj h VAL 68 Ca -0.39 -0.05 -0.33 0.00 0.82 0.00 0.00 66.70 66.75 2kfj h VAL 68 Cb 1.28 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2kfj h VAL 68 CO -0.24 0.00 -1.76 0.00 0.02 0.00 0.00 177.57 175.59 2kfj h ALA 69 N 2.05 0.35 0.49 1.67 0.00 -1.69 -3.28 119.26 118.85 2kfj h ALA 69 Ca 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 54.91 53.58 2kfj h ALA 69 Cb 0.07 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2kfj h ALA 69 CO 0.00 1.11 -0.23 0.87 0.00 0.00 0.00 179.25 180.99 2kfj h LYS 70 N -0.19 -0.63 -0.79 0.00 1.57 -1.06 -2.77 116.57 112.70 2kfj h LYS 70 Ca -0.39 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 58.66 2kfj h LYS 70 Cb 1.86 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 34.28 2kfj h LYS 70 CO 0.03 -0.39 0.85 0.93 -0.57 0.00 0.00 179.45 180.29 2kfj h GLU 71 N -1.15 0.00 -0.11 3.15 5.08 -0.55 0.99 114.58 121.99 2kfj h GLU 71 Ca -0.07 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.10 2kfj h GLU 71 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2kfj h GLU 71 CO 0.11 0.00 -0.69 1.98 -1.00 0.00 0.00 179.01 179.41 2kfj h MET 72 N 0.00 0.67 -0.81 2.33 4.05 -1.58 -3.20 114.93 116.38 2kfj h MET 72 Ca 0.38 -0.57 0.20 0.00 -0.28 0.00 0.00 59.70 59.43 2kfj h MET 72 Cb 2.07 0.12 -0.13 0.00 -0.80 0.00 0.00 31.60 32.86 2kfj h MET 72 CO -0.00 1.18 0.20 -0.07 0.23 0.00 0.00 176.91 178.45 2kfj h LEU 73 N 0.33 -0.00 -1.49 3.39 3.38 0.13 1.54 115.31 122.59 2kfj h LEU 73 Ca -0.05 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.16 2kfj h LEU 73 Cb 1.33 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.28 2kfj h LEU 73 CO 0.14 -0.10 0.43 0.00 0.09 0.00 0.00 178.44 179.01 2kfj h ALA 74 N 1.70 1.82 0.00 1.53 0.00 -1.54 0.68 119.26 123.46 2kfj h ALA 74 Ca 0.48 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 2kfj h ALA 74 Cb 0.90 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2kfj h ALA 74 CO -0.59 0.06 -0.75 0.93 0.00 0.00 0.00 179.25 178.90 2kfj h GLU 75 N 0.60 0.00 0.00 0.00 4.39 0.17 -3.12 114.58 116.63 2kfj h GLU 75 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2kfj h GLU 75 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2kfj h GLU 75 CO -0.09 0.55 -0.21 0.09 -1.16 0.00 0.00 179.01 178.19 2kfj n ASN 76 N -3.19 0.42 -2.88 1.42 3.02 0.29 -4.91 115.26 109.43 2kfj n ASN 76 Ca -0.01 0.29 -0.22 0.00 -0.03 0.00 0.00 54.58 54.62 2kfj n ASN 76 Cb 0.79 -0.30 0.03 0.00 -0.61 0.00 0.00 39.78 39.69 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 -1.78 -6.04 -4.30 6.41 3.02 0.21 -4.98 115.26 107.80 2kfj n ASN 77 Ca 0.06 -0.25 -0.26 0.00 -0.03 0.00 0.00 54.58 54.09 2kfj n ASN 77 Cb 0.38 -4.87 -0.13 0.00 -0.61 0.00 0.00 39.78 34.54 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 -5.61 1.35 -0.38 3.52 -1.05 -0.90 -5.03 118.70 110.60 2kfj s GLU 78 Ca 0.27 -1.10 0.06 0.00 -0.15 0.00 0.00 54.97 54.04 2kfj s GLU 78 Cb -0.12 -1.59 0.49 0.00 -0.44 0.00 0.00 34.13 32.47 2kfj s GLU 78 CO 0.33 0.39 1.53 1.63 0.95 0.00 0.00 175.26 180.09 2kfj n LYS 79 N 1.42 2.60 -4.10 -4.83 4.76 -1.26 -4.53 118.16 112.22 2kfj n LYS 79 Ca -0.18 -3.52 -0.14 0.00 -2.87 0.00 0.00 58.31 51.60 2kfj n LYS 79 Cb 0.53 -2.08 -0.05 0.00 -1.84 0.00 0.00 35.03 31.59 2kfj n LYS 79 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 2kfj s PHE 80 N -3.50 1.03 0.06 2.13 -0.71 -1.26 -3.95 117.98 111.79 2kfj s PHE 80 Ca 0.52 -1.25 -0.04 0.00 -1.04 0.00 0.00 56.93 55.12 2kfj s PHE 80 Cb 0.43 -0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 2kfj s PHE 80 CO 0.01 -1.06 0.04 -1.17 -1.34 0.00 0.00 175.22 171.70 2kfj s LEU 81 N -3.21 2.12 -0.20 -1.99 1.98 0.25 -4.84 118.68 112.79 2kfj s LEU 81 Ca 0.31 -0.86 -0.02 0.00 -2.89 0.00 0.00 54.13 50.66 2kfj s LEU 81 Cb 0.00 0.48 0.06 0.00 0.66 0.00 0.00 46.19 47.40 2kfj s LEU 81 CO 0.19 -0.63 0.03 0.21 -1.89 0.00 0.00 176.35 174.25 2kfj s ASN 82 N -2.84 3.07 0.18 3.68 2.47 -1.26 -1.98 114.94 118.26 2kfj s ASN 82 Ca 0.05 -0.90 0.05 0.00 0.42 0.00 0.00 52.86 52.49 2kfj s ASN 82 Cb 0.06 -0.67 -0.04 0.00 -1.45 0.00 0.00 41.25 39.15 2kfj s ASN 82 CO -0.10 -0.30 0.18 -0.63 -3.72 0.00 0.00 177.10 172.52 2kfj s ILE 83 N 1.80 4.62 0.12 -5.21 -1.09 0.26 -0.25 121.20 121.45 2kfj s ILE 83 Ca -0.01 -1.08 0.10 0.00 -2.23 0.00 0.00 60.65 57.42 2kfj s ILE 83 Cb -0.17 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 2kfj s ILE 83 CO -0.09 -0.16 -0.24 -0.60 -1.23 0.00 0.00 174.94 172.62 2kfj s ARG 84 N -3.29 1.28 -0.04 2.79 3.52 0.26 -2.00 118.95 121.46 2kfj s ARG 84 Ca 0.32 -1.27 -0.02 0.00 -0.13 0.00 0.00 55.73 54.63 2kfj s ARG 84 Cb -0.10 -1.66 0.03 0.00 -1.56 0.00 0.00 34.95 31.66 2kfj s ARG 84 CO 0.25 0.39 0.06 -1.17 -0.81 0.00 0.00 175.30 174.02 2kfj s LEU 85 N -2.03 0.46 0.00 -0.88 2.96 0.15 -2.91 118.68 116.43 2kfj s LEU 85 Ca 0.11 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 2kfj s LEU 85 Cb -0.10 -0.05 0.00 0.00 0.50 0.00 0.00 46.19 46.54 2kfj s LEU 85 CO 0.05 -0.20 0.31 0.00 -1.32 0.00 0.00 176.35 175.19