#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 0.00 -4.03 1.53 4.77 -1.26 -4.47 117.00 113.54 2kfj n LEU 2 Ca 0.00 -1.04 -0.31 0.00 -0.03 0.00 0.00 56.01 54.63 2kfj n LEU 2 Cb 0.00 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2kfj n LEU 2 CO 0.00 -0.80 -0.02 0.61 -1.33 0.00 0.00 177.39 175.85 2kfj n GLY 3 N 0.87 -0.41 3.18 -0.72 0.00 -1.26 -4.95 105.19 101.90 2kfj n GLY 3 Ca 0.09 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 2kfj n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfj s SER 4 N -3.56 1.10 0.01 1.61 1.04 -1.26 -3.22 113.70 109.41 2kfj s SER 4 Ca 0.54 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.92 2kfj s SER 4 Cb -0.28 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 2kfj s SER 4 CO 0.88 -0.51 -0.03 -0.63 0.98 0.00 0.00 173.24 173.93 2kfj s ILE 5 N -3.66 0.18 0.09 -1.02 1.01 -0.53 -4.90 121.20 112.36 2kfj s ILE 5 Ca 0.15 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 2kfj s ILE 5 Cb 0.06 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 42.27 2kfj s ILE 5 CO -0.03 -0.12 0.32 -0.22 0.00 0.00 0.00 174.94 174.90 2kfj s LEU 6 N -0.51 4.32 -0.14 2.97 1.98 -1.06 -0.33 118.68 125.90 2kfj s LEU 6 Ca -0.04 0.55 0.01 0.00 -2.89 0.00 0.00 54.13 51.75 2kfj s LEU 6 Cb -0.04 -3.06 0.02 0.00 0.66 0.00 0.00 46.19 43.77 2kfj s LEU 6 CO -0.00 0.13 -0.14 -0.36 -1.89 0.00 0.00 176.35 174.09 2kfj s PHE 7 N -1.52 2.12 -0.36 5.38 0.40 0.14 0.97 117.98 125.11 2kfj s PHE 7 Ca 0.36 -1.16 -0.22 0.00 -0.60 0.00 0.00 56.93 55.31 2kfj s PHE 7 Cb -0.13 -1.56 0.01 0.00 0.51 0.00 0.00 43.02 41.85 2kfj s PHE 7 CO 0.22 -0.64 0.71 1.03 0.70 0.00 0.00 175.22 177.25 2kfj s ARG 8 N 1.42 3.70 -0.54 0.44 0.52 -0.90 -0.70 118.95 122.88 2kfj s ARG 8 Ca 0.03 0.17 -0.19 0.00 -0.52 0.00 0.00 55.73 55.22 2kfj s ARG 8 Cb -0.13 -3.82 0.08 0.00 0.52 0.00 0.00 34.95 31.60 2kfj s ARG 8 CO -0.09 -0.81 0.63 0.42 0.02 0.00 0.00 175.30 175.46 2kfj s ILE 9 N 2.92 4.90 -0.30 1.52 -1.09 -1.09 0.43 121.20 128.49 2kfj s ILE 9 Ca 0.28 -0.79 -0.14 0.00 -2.23 0.00 0.00 60.65 57.77 2kfj s ILE 9 Cb -0.14 -4.36 -0.03 0.00 -1.58 0.00 0.00 42.46 36.36 2kfj s ILE 9 CO 0.16 -0.91 0.33 -0.55 -1.23 0.00 0.00 174.94 172.74 2kfj s SER 10 N 3.09 6.17 0.40 3.58 0.15 -0.45 0.14 113.70 126.79 2kfj s SER 10 Ca 0.12 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.81 2kfj s SER 10 Cb -0.22 -2.19 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2kfj s SER 10 CO 0.09 -0.23 0.16 -0.47 1.20 0.00 0.00 173.24 173.99 2kfj s TYR 11 N 1.99 1.77 0.56 3.44 5.04 -1.08 -0.16 117.35 128.90 2kfj s TYR 11 Ca 0.12 -1.38 0.47 0.00 -2.44 0.00 0.00 57.07 53.84 2kfj s TYR 11 Cb -0.16 -1.06 1.61 0.00 0.35 0.00 0.00 41.96 42.70 2kfj s TYR 11 CO 0.11 -0.43 1.51 0.09 -1.34 0.00 0.00 175.55 175.48 2kfj n ASN 12 N -1.39 0.00 0.00 4.32 4.13 -1.26 -2.58 115.26 118.48 2kfj n ASN 12 Ca -0.03 0.95 0.00 0.00 1.68 0.00 0.00 54.58 57.18 2kfj n ASN 12 Cb 0.64 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 2kfj n ASN 12 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kfj n SER 13 N -3.80 0.00 -1.83 6.41 2.88 -1.26 -5.10 113.62 110.91 2kfj n SER 13 Ca 0.41 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.90 2kfj n SER 13 Cb 1.94 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 65.40 2kfj n SER 13 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kfj n GLU 14 N 0.00 0.43 -2.42 -1.46 1.02 -1.07 -5.14 120.64 112.01 2kfj n GLU 14 Ca 0.00 -1.09 -0.42 0.00 -0.02 0.00 0.00 57.16 55.63 2kfj n GLU 14 Cb 0.00 1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 32.61 2kfj n GLU 14 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2kfj s ILE 15 N -2.60 3.86 0.09 -3.67 -1.09 -1.26 -2.64 121.20 113.89 2kfj s ILE 15 Ca 0.09 1.44 0.01 0.00 -2.23 0.00 0.00 60.65 59.97 2kfj s ILE 15 Cb -0.01 -3.92 0.01 0.00 -1.58 0.00 0.00 42.46 36.95 2kfj s ILE 15 CO 0.07 0.17 0.09 0.33 -1.23 0.00 0.00 174.94 174.37 2kfj n PHE 16 N 3.22 -1.75 -3.83 3.97 7.35 0.38 -4.83 117.46 121.98 2kfj n PHE 16 Ca 0.06 -0.39 -0.16 0.00 -0.76 0.00 0.00 57.45 56.21 2kfj n PHE 16 Cb 0.46 -0.08 -0.16 0.00 0.35 0.00 0.00 39.48 40.05 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 -0.24 0.03 -0.20 -2.13 -4.23 -1.25 -2.69 115.64 104.93 2kfj s THR 17 Ca 0.07 0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.70 2kfj s THR 17 Cb -0.01 -0.15 0.08 0.00 1.34 0.00 0.00 72.50 73.76 2kfj s THR 17 CO 0.04 0.11 0.17 -0.22 -0.54 0.00 0.00 174.62 174.18 2kfj s LEU 18 N 1.07 0.09 -0.26 4.79 1.98 0.12 -4.94 118.68 121.53 2kfj s LEU 18 Ca -0.09 -0.44 -0.29 0.00 -2.89 0.00 0.00 54.13 50.42 2kfj s LEU 18 Cb -0.13 0.11 -0.01 0.00 0.66 0.00 0.00 46.19 46.82 2kfj s LEU 18 CO -0.03 -0.34 1.41 -0.22 -1.89 0.00 0.00 176.35 175.28 2kfj s LEU 19 N 2.24 3.91 -0.15 -0.68 1.98 -1.26 -0.68 118.68 124.05 2kfj s LEU 19 Ca 0.05 1.39 0.01 0.00 -2.89 0.00 0.00 54.13 52.69 2kfj s LEU 19 Cb -0.16 -3.54 0.02 0.00 0.66 0.00 0.00 46.19 43.17 2kfj s LEU 19 CO -0.13 -1.12 -0.16 0.54 -1.89 0.00 0.00 176.35 173.59 2kfj s VAL 20 N 4.60 1.68 1.13 1.68 0.11 0.55 -4.98 120.40 125.16 2kfj s VAL 20 Ca 0.62 -0.71 -0.13 0.00 -2.93 0.00 0.00 61.98 58.83 2kfj s VAL 20 Cb -0.20 -1.55 0.26 0.00 -1.53 0.00 0.00 36.38 33.36 2kfj s VAL 20 CO 0.25 0.48 1.04 -1.61 -3.33 0.00 0.00 175.10 171.93 2kfj s GLU 21 N 1.32 -0.63 -0.06 1.54 2.02 -1.26 -1.46 118.70 120.16 2kfj s GLU 21 Ca 0.02 0.85 0.09 0.00 0.02 0.00 0.00 54.97 55.95 2kfj s GLU 21 Cb -0.13 -1.59 0.36 0.00 0.10 0.00 0.00 34.13 32.88 2kfj s GLU 21 CO -0.09 -3.54 1.18 1.63 0.02 0.00 0.00 175.26 174.47 2kfj n LYS 22 N -4.79 2.43 -0.03 1.61 5.02 -1.20 -3.64 118.16 117.57 2kfj n LYS 22 Ca 0.04 -1.43 -0.04 0.00 -2.02 0.00 0.00 58.31 54.86 2kfj n LYS 22 Cb 0.54 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.42 0.36 -1.48 -0.18 3.14 -1.26 -4.96 118.33 114.37 2kfj n VAL 23 Ca 0.13 -0.16 -0.45 0.00 -2.96 0.00 0.00 64.34 60.89 2kfj n VAL 23 Cb 0.53 -0.77 -0.07 0.00 -1.06 0.00 0.00 33.84 32.47 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 -2.55 1.39 -0.37 1.45 7.02 -1.24 -4.89 117.44 118.26 2kfj n TRP 24 Ca -0.11 0.24 -0.30 0.00 -1.02 0.00 0.00 57.50 56.31 2kfj n TRP 24 Cb 0.63 -2.54 0.29 0.00 -2.42 0.00 0.00 31.31 27.27 2kfj n TRP 24 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2kfj n ASN 25 N 11.51 -3.82 -0.32 -0.99 6.94 -1.26 -4.43 115.26 122.89 2kfj n ASN 25 Ca 0.44 -0.93 0.09 0.00 -0.02 0.00 0.00 54.58 54.16 2kfj n ASN 25 Cb 0.28 -0.99 0.30 0.00 -2.36 0.00 0.00 39.78 37.00 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 -3.49 1.01 0.52 -2.53 -0.00 -1.90 0.30 116.94 110.86 2kfj h PHE 26 Ca -0.40 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 57.58 2kfj h PHE 26 Cb 1.31 -0.32 0.00 0.00 -0.00 0.00 0.00 35.95 36.94 2kfj h PHE 26 CO 0.00 0.40 -0.26 0.22 -0.00 0.00 0.00 178.31 178.67 2kfj h ASP 27 N 0.88 -0.62 -0.42 -0.68 3.58 -1.89 0.18 116.42 117.45 2kfj h ASP 27 Ca 0.47 0.02 0.12 0.00 0.42 0.00 0.00 57.03 58.06 2kfj h ASP 27 Cb 0.56 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 2kfj h ASP 27 CO -0.23 -0.43 0.39 0.44 -2.88 0.00 0.00 179.24 176.52 2kfj h ASP 28 N -0.71 0.00 0.64 2.28 3.32 -1.78 -0.86 116.42 119.31 2kfj h ASP 28 Ca -0.07 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2kfj h ASP 28 Cb 0.55 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.11 2kfj h ASP 28 CO 0.11 0.00 -0.31 0.25 -1.72 0.00 0.00 179.24 177.57 2kfj h LEU 29 N 0.00 -0.73 -1.59 1.55 5.85 0.27 0.84 115.31 121.51 2kfj h LEU 29 Ca 0.20 0.03 0.23 0.00 0.84 0.00 0.00 57.88 59.17 2kfj h LEU 29 Cb 0.97 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 2kfj h LEU 29 CO -0.00 -0.39 0.62 0.40 -0.34 0.00 0.00 178.44 178.73 2kfj h ILE 30 N -1.14 0.63 0.00 4.05 1.08 0.44 0.92 117.51 123.48 2kfj h ILE 30 Ca -0.09 -0.11 -0.09 0.00 -0.39 0.00 0.00 64.86 64.18 2kfj h ILE 30 Cb 0.66 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 2kfj h ILE 30 CO 0.14 0.06 -0.47 0.24 -0.69 0.00 0.00 178.15 177.43 2kfj h MET 31 N 0.32 0.00 -0.42 2.37 2.86 -1.01 -1.67 114.93 117.39 2kfj h MET 31 Ca 0.48 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 58.02 2kfj h MET 31 Cb 1.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 2kfj h MET 31 CO -0.16 0.44 -0.15 0.00 1.06 0.00 0.00 176.91 178.09 2kfj h ALA 32 N 1.56 0.58 0.10 6.32 0.00 0.81 -0.68 119.26 127.94 2kfj h ALA 32 Ca -0.01 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.29 2kfj h ALA 32 Cb 1.35 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 19.02 2kfj h ALA 32 CO 0.06 0.50 -1.07 0.82 0.00 0.00 0.00 179.25 179.56 2kfj h ILE 33 N 0.66 1.34 0.00 0.00 5.03 -1.26 -2.86 117.51 120.41 2kfj h ILE 33 Ca 0.10 -2.39 0.00 0.00 -0.12 0.00 0.00 64.86 62.45 2kfj h ILE 33 Cb 0.70 2.72 0.00 0.00 -3.03 0.00 0.00 36.82 37.22 2kfj h ILE 33 CO 0.05 0.72 0.00 0.59 -0.68 0.00 0.00 178.15 178.83 2kfj n ASN 34 N -3.91 0.38 -0.02 1.72 5.03 -0.63 -0.22 115.26 117.60 2kfj n ASN 34 Ca -0.13 0.64 -0.08 0.00 0.87 0.00 0.00 54.58 55.87 2kfj n ASN 34 Cb 0.91 -0.70 -0.14 0.00 -1.02 0.00 0.00 39.78 38.83 2kfj n ASN 34 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2kfj n SER 35 N -1.97 0.84 0.07 6.41 2.88 -0.27 -1.89 113.62 119.70 2kfj n SER 35 Ca 0.01 0.40 -0.17 0.00 -1.33 0.00 0.00 58.87 57.78 2kfj n SER 35 Cb 0.10 -0.02 -0.14 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.00 0.27 0.00 -1.46 6.56 -0.80 -3.26 116.57 117.88 2kfj h LYS 36 Ca -0.29 -0.46 0.00 0.00 -1.06 0.00 0.00 60.65 58.84 2kfj h LYS 36 Cb 2.00 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 33.84 2kfj h LYS 36 CO 0.08 1.15 -0.38 0.44 -2.06 0.00 0.00 179.45 178.68 2kfj n ILE 37 N -3.48 0.23 0.21 1.86 -5.35 0.69 -3.56 119.36 109.96 2kfj n ILE 37 Ca -0.15 -0.15 0.13 0.00 -0.27 0.00 0.00 62.75 62.32 2kfj n ILE 37 Cb 1.04 -0.16 0.72 0.00 -1.74 0.00 0.00 39.64 39.51 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 0.00 0.00 -1.95 7.28 0.87 -1.42 -2.53 113.55 115.81 2kfj h SER 38 Ca 0.00 0.00 0.57 0.00 -1.23 0.00 0.00 61.79 61.13 2kfj h SER 38 Cb 0.63 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.51 2kfj h SER 38 CO 0.00 0.00 1.40 -0.55 -0.53 0.00 0.00 176.83 177.15 2kfj h ASN 39 N 0.00 0.00 0.00 6.23 -1.07 -1.75 0.47 115.58 119.46 2kfj h ASN 39 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.29 2kfj h ASN 39 Cb 0.08 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.32 2kfj h ASN 39 CO 0.00 -0.00 -0.60 0.71 0.07 0.00 0.00 177.43 177.60 2kfj h THR 40 N 0.00 0.72 -4.49 6.14 1.35 -1.78 -3.49 112.91 111.36 2kfj h THR 40 Ca 0.93 -1.72 -0.25 0.00 -0.55 0.00 0.00 66.41 64.82 2kfj h THR 40 Cb 3.72 1.54 0.11 0.00 -1.73 0.00 0.00 68.15 71.79 2kfj h THR 40 CO -0.02 0.24 -0.52 1.57 -0.25 0.00 0.00 175.52 176.55 2kfj n HIS 41 N -4.57 -1.71 0.00 4.73 -0.00 0.16 -4.92 115.22 108.92 2kfj n HIS 41 Ca -0.16 0.68 0.00 0.00 0.46 0.00 0.00 57.72 58.70 2kfj n HIS 41 Cb 0.42 -4.04 0.00 0.00 -0.12 0.00 0.00 29.99 26.25 2kfj n HIS 41 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2kfj n ILE 42 N -3.57 0.00 -3.05 3.57 -5.35 -1.26 -5.04 119.36 104.66 2kfj n ILE 42 Ca -0.13 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.38 2kfj n ILE 42 Cb 0.59 -0.74 -0.00 0.00 -1.74 0.00 0.00 39.64 37.75 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 -4.35 -0.94 0.21 7.28 0.15 -1.26 -5.17 113.70 109.62 2kfj s SER 43 Ca 0.00 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2kfj s SER 43 Cb 0.00 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 2kfj s SER 43 CO 0.00 -0.13 0.00 -0.81 1.20 0.00 0.00 173.24 173.50 2kfj n PRO 44 N 4.52 0.68 -3.76 5.44 -0.04 -1.26 -5.06 135.00 135.52 2kfj n PRO 44 Ca 0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 2kfj n PRO 44 Cb 0.59 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.21 0.83 -0.52 0.52 -5.25 -1.26 -4.97 121.20 110.34 2kfj s ILE 45 Ca 0.00 -1.07 0.22 0.00 -0.99 0.00 0.00 60.65 58.81 2kfj s ILE 45 Cb 0.00 -1.45 0.23 0.00 2.95 0.00 0.00 42.46 44.18 2kfj s ILE 45 CO 0.00 -0.43 1.67 0.35 -1.79 0.00 0.00 174.94 174.74 2kfj n THR 46 N 4.90 0.88 -5.01 8.37 -2.24 -1.26 -4.56 114.28 115.35 2kfj n THR 46 Ca -0.06 0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.71 2kfj n THR 46 Cb 0.44 -1.19 -0.16 0.00 -2.10 0.00 0.00 70.33 67.31 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 -3.30 2.32 0.25 -0.78 1.02 -1.26 -4.90 119.74 113.09 2kfj s LYS 47 Ca 0.04 -0.73 0.10 0.00 0.02 0.00 0.00 55.97 55.40 2kfj s LYS 47 Cb 0.09 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.46 2kfj s LYS 47 CO 0.36 0.22 -0.17 0.96 -0.92 0.00 0.00 175.35 175.80 2kfj s ILE 48 N 0.17 2.16 -0.25 2.17 -4.36 -1.17 -4.99 121.20 114.92 2kfj s ILE 48 Ca -0.10 -2.32 0.02 0.00 -0.26 0.00 0.00 60.65 57.99 2kfj s ILE 48 Cb -0.15 -2.19 0.06 0.00 1.25 0.00 0.00 42.46 41.43 2kfj s ILE 48 CO 0.05 -0.48 -0.08 -0.75 0.24 0.00 0.00 174.94 173.92 2kfj s LYS 49 N -3.57 1.94 0.04 0.37 2.20 -1.15 0.70 119.74 120.28 2kfj s LYS 49 Ca 0.27 -1.21 -0.00 0.00 -0.36 0.00 0.00 55.97 54.67 2kfj s LYS 49 Cb -0.03 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 2kfj s LYS 49 CO 0.11 -0.60 0.19 1.52 -0.36 0.00 0.00 175.35 176.22 2kfj s TYR 50 N 1.23 3.49 0.64 4.03 1.13 0.49 0.22 117.35 128.57 2kfj s TYR 50 Ca -0.07 0.26 -0.17 0.00 -1.41 0.00 0.00 57.07 55.68 2kfj s TYR 50 Cb -0.19 -1.76 -0.01 0.00 -1.10 0.00 0.00 41.96 38.90 2kfj s TYR 50 CO -0.06 0.60 1.16 -1.14 -2.51 0.00 0.00 175.55 173.60 2kfj s GLN 51 N -2.35 2.76 0.25 -3.49 0.74 -0.51 -0.10 119.66 116.97 2kfj s GLN 51 Ca 0.32 1.63 0.01 0.00 0.05 0.00 0.00 55.36 57.38 2kfj s GLN 51 Cb -0.13 -1.92 0.01 0.00 1.10 0.00 0.00 33.01 32.07 2kfj s GLN 51 CO 0.25 -1.33 0.11 -3.47 -0.55 0.00 0.00 175.29 170.31 2kfj n ASP 52 N -2.11 2.18 0.24 6.67 -0.08 0.40 -4.80 116.55 119.04 2kfj n ASP 52 Ca 0.12 -1.97 0.14 0.00 -1.51 0.00 0.00 54.79 51.58 2kfj n ASP 52 Cb 0.51 0.06 0.41 0.00 2.34 0.00 0.00 41.12 44.43 2kfj n ASP 52 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2kfj h GLU 53 N 0.00 0.00 -0.30 -0.67 4.11 -1.95 -2.55 114.58 113.21 2kfj h GLU 53 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2kfj h GLU 53 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2kfj h GLU 53 CO 0.29 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.12 2kfj n ASP 54 N -3.03 1.52 -0.33 3.06 8.00 -1.26 -4.85 116.55 119.66 2kfj n ASP 54 Ca 0.03 -2.02 -0.04 0.00 0.71 0.00 0.00 54.79 53.46 2kfj n ASP 54 Cb 0.42 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 2kfj n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfj n GLY 55 N 0.89 0.52 3.85 0.44 0.00 -0.96 -4.96 105.19 104.96 2kfj n GLY 55 Ca 0.09 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.23 5.84 0.14 1.61 1.11 -1.26 -4.81 116.67 117.07 2kfj s ASP 56 Ca 0.00 0.03 -0.30 0.00 0.18 0.00 0.00 52.55 52.46 2kfj s ASP 56 Cb 0.00 -1.64 -0.06 0.00 1.07 0.00 0.00 42.92 42.28 2kfj s ASP 56 CO 0.00 0.10 0.97 -0.36 1.18 0.00 0.00 175.17 177.06 2kfj s PHE 57 N -1.63 3.82 0.02 4.23 0.08 -1.26 -0.45 117.98 122.79 2kfj s PHE 57 Ca 0.32 1.80 0.03 0.00 0.12 0.00 0.00 56.93 59.20 2kfj s PHE 57 Cb -0.11 -3.06 -0.01 0.00 -0.57 0.00 0.00 43.02 39.26 2kfj s PHE 57 CO 0.25 0.18 -0.08 0.14 -0.10 0.00 0.00 175.22 175.61 2kfj s VAL 58 N -0.19 0.62 0.92 -0.44 -7.23 0.86 -4.92 120.40 110.01 2kfj s VAL 58 Ca 0.46 -0.66 -0.11 0.00 -1.81 0.00 0.00 61.98 59.86 2kfj s VAL 58 Cb -0.24 -0.59 0.14 0.00 0.56 0.00 0.00 36.38 36.25 2kfj s VAL 58 CO 0.31 -0.05 1.09 -0.69 -0.31 0.00 0.00 175.10 175.45 2kfj s VAL 59 N -0.67 2.56 -0.27 1.32 1.01 -1.26 0.18 120.40 123.28 2kfj s VAL 59 Ca -0.02 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 2kfj s VAL 59 Cb -0.06 -2.52 0.14 0.00 0.00 0.00 0.00 36.38 33.94 2kfj s VAL 59 CO 0.00 -0.24 0.53 -0.22 0.00 0.00 0.00 175.10 175.17 2kfj s LEU 60 N -6.39 -1.01 0.00 3.92 2.96 0.22 -4.56 118.68 113.82 2kfj s LEU 60 Ca 0.64 0.98 0.01 0.00 -0.22 0.00 0.00 54.13 55.55 2kfj s LEU 60 Cb -0.20 1.82 0.02 0.00 0.50 0.00 0.00 46.19 48.34 2kfj s LEU 60 CO 0.58 -0.25 0.73 0.61 -1.32 0.00 0.00 176.35 176.71 2kfj n GLY 61 N 5.41 0.80 2.33 7.98 0.00 -1.26 -3.05 105.19 117.39 2kfj n GLY 61 Ca -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 0.02 -1.15 0.11 1.61 7.64 -1.26 -4.94 113.62 115.66 2kfj n SER 62 Ca -0.02 -2.17 -0.00 0.00 1.01 0.00 0.00 58.87 57.69 2kfj n SER 62 Cb 0.61 2.03 -0.02 0.00 -1.01 0.00 0.00 64.21 65.82 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 1.30 0.00 0.77 6.43 -0.00 -1.96 -1.40 116.42 121.57 2kfj h ASP 63 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.83 2kfj h ASP 63 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.13 2kfj h ASP 63 CO 0.26 0.65 0.00 -1.84 -0.00 0.00 0.00 179.24 178.31 2kfj n GLU 64 N -3.25 0.20 -0.00 0.28 0.28 -1.26 0.78 120.64 117.66 2kfj n GLU 64 Ca 0.01 0.41 0.04 0.00 -0.16 0.00 0.00 57.16 57.46 2kfj n GLU 64 Cb 0.80 -1.87 -0.06 0.00 1.43 0.00 0.00 31.44 31.75 2kfj n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kfj n ASP 65 N -2.24 1.68 0.02 -1.84 8.00 -1.16 -3.34 116.55 117.68 2kfj n ASP 65 Ca 0.02 -0.36 0.05 0.00 0.71 0.00 0.00 54.79 55.21 2kfj n ASP 65 Cb 0.24 1.19 -0.10 0.00 -0.02 0.00 0.00 41.12 42.43 2kfj n ASP 65 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2kfj n TRP 66 N -1.49 0.56 -0.07 1.24 -0.00 -0.54 -3.51 117.44 113.63 2kfj n TRP 66 Ca 0.00 0.18 -0.14 0.00 -0.00 0.00 0.00 57.50 57.53 2kfj n TRP 66 Cb 0.17 -0.88 -0.14 0.00 -0.00 0.00 0.00 31.31 30.47 2kfj n TRP 66 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 2kfj n ASN 67 N -2.64 1.18 0.27 5.87 5.15 0.23 -2.78 115.26 122.55 2kfj n ASN 67 Ca -0.09 0.09 0.15 0.00 -0.60 0.00 0.00 54.58 54.13 2kfj n ASN 67 Cb 0.74 -0.00 0.75 0.00 -0.53 0.00 0.00 39.78 40.74 2kfj n ASN 67 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2kfj h VAL 68 N 0.01 0.33 0.08 3.44 2.07 -1.69 0.19 116.25 120.69 2kfj h VAL 68 Ca -0.48 -0.54 -0.32 0.00 0.82 0.00 0.00 66.70 66.19 2kfj h VAL 68 Cb 2.06 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 2kfj h VAL 68 CO 0.02 0.09 -1.72 0.00 0.02 0.00 0.00 177.57 175.97 2kfj n ALA 69 N -2.19 0.85 -0.31 1.67 0.00 -1.23 -3.09 120.51 116.21 2kfj n ALA 69 Ca -0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.83 2kfj n ALA 69 Cb 0.26 -0.62 0.08 0.00 0.00 0.00 0.00 19.45 19.17 2kfj n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kfj h LYS 70 N -0.36 1.11 0.00 0.00 1.57 -1.32 -0.13 116.57 117.45 2kfj h LYS 70 Ca -0.40 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 2kfj h LYS 70 Cb 1.75 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.81 2kfj h LYS 70 CO -0.04 0.76 -0.15 0.93 -0.57 0.00 0.00 179.45 180.39 2kfj h GLU 71 N 1.13 0.00 0.00 3.15 4.39 -0.78 -2.59 114.58 119.88 2kfj h GLU 71 Ca 0.30 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.84 2kfj h GLU 71 Cb -0.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2kfj h GLU 71 CO -0.06 0.15 -0.75 1.98 -1.16 0.00 0.00 179.01 179.16 2kfj h MET 72 N 0.00 0.00 -0.75 2.33 4.05 -1.00 -3.15 114.93 116.41 2kfj h MET 72 Ca -0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2kfj h MET 72 Cb 0.64 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.40 2kfj h MET 72 CO 0.02 0.75 0.35 -0.07 0.23 0.00 0.00 176.91 178.20 2kfj h LEU 73 N 0.00 0.98 -1.52 3.39 3.38 -0.84 0.49 115.31 121.19 2kfj h LEU 73 Ca -0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2kfj h LEU 73 Cb 1.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2kfj h LEU 73 CO 0.10 0.84 -0.25 0.00 0.09 0.00 0.00 178.44 179.22 2kfj h ALA 74 N 1.31 1.54 0.00 1.53 0.00 -1.58 1.10 119.26 123.16 2kfj h ALA 74 Ca 0.26 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2kfj h ALA 74 Cb 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2kfj h ALA 74 CO -0.03 0.31 -1.06 0.93 0.00 0.00 0.00 179.25 179.40 2kfj h GLU 75 N 0.00 0.00 0.00 0.00 5.08 -1.16 -3.24 114.58 115.26 2kfj h GLU 75 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kfj h GLU 75 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2kfj h GLU 75 CO 0.03 0.51 -0.65 0.09 -1.00 0.00 0.00 179.01 177.99 2kfj n ASN 76 N -3.10 0.59 -3.25 1.42 5.03 0.16 -4.95 115.26 111.15 2kfj n ASN 76 Ca -0.05 -0.18 -0.19 0.00 0.87 0.00 0.00 54.58 55.03 2kfj n ASN 76 Cb 0.84 0.36 0.08 0.00 -1.02 0.00 0.00 39.78 40.04 2kfj n ASN 76 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2kfj n ASN 77 N -1.74 -4.62 -4.51 6.41 3.02 0.36 -5.01 115.26 109.18 2kfj n ASN 77 Ca 0.04 -0.51 -0.25 0.00 -0.03 0.00 0.00 54.58 53.84 2kfj n ASN 77 Cb 0.38 -4.61 -0.10 0.00 -0.61 0.00 0.00 39.78 34.84 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 -5.86 1.73 0.00 3.52 -1.05 -0.33 -5.03 118.70 111.68 2kfj s GLU 78 Ca 0.35 -1.87 0.00 0.00 -0.15 0.00 0.00 54.97 53.30 2kfj s GLU 78 Cb -0.15 -1.60 0.00 0.00 -0.44 0.00 0.00 34.13 31.94 2kfj s GLU 78 CO 0.66 0.15 0.40 0.36 0.95 0.00 0.00 175.26 177.78 2kfj n LYS 79 N -0.71 0.31 -4.64 -4.83 0.00 -1.26 -4.59 118.16 102.44 2kfj n LYS 79 Ca -0.05 -0.40 -0.29 0.00 -0.00 0.00 0.00 58.31 57.58 2kfj n LYS 79 Cb 0.63 -0.89 -0.09 0.00 -0.00 0.00 0.00 35.03 34.67 2kfj n LYS 79 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 2kfj s PHE 80 N -0.16 2.14 0.31 5.58 -0.71 -1.26 -2.57 117.98 121.31 2kfj s PHE 80 Ca 0.00 -0.87 0.03 0.00 -1.04 0.00 0.00 56.93 55.05 2kfj s PHE 80 Cb 0.00 -1.59 -0.04 0.00 -1.21 0.00 0.00 43.02 40.18 2kfj s PHE 80 CO 0.00 0.24 0.14 -1.17 -1.34 0.00 0.00 175.22 173.08 2kfj s LEU 81 N -3.73 1.76 -0.24 -1.99 0.20 0.27 -4.86 118.68 110.10 2kfj s LEU 81 Ca 0.24 -1.53 -0.03 0.00 0.69 0.00 0.00 54.13 53.50 2kfj s LEU 81 Cb 0.06 0.07 0.08 0.00 -0.43 0.00 0.00 46.19 45.97 2kfj s LEU 81 CO 0.12 -0.84 0.07 0.21 -0.29 0.00 0.00 176.35 175.62 2kfj s ASN 82 N -3.41 3.25 0.02 3.68 2.47 -1.26 -2.13 114.94 117.57 2kfj s ASN 82 Ca 0.34 -1.09 0.01 0.00 0.42 0.00 0.00 52.86 52.54 2kfj s ASN 82 Cb 0.05 -0.59 -0.04 0.00 -1.45 0.00 0.00 41.25 39.23 2kfj s ASN 82 CO 0.16 -0.36 0.08 -0.63 -3.72 0.00 0.00 177.10 172.63 2kfj s ILE 83 N 1.87 4.64 -0.02 -5.21 -1.09 0.17 -1.42 121.20 120.13 2kfj s ILE 83 Ca 0.04 -0.52 0.07 0.00 -2.23 0.00 0.00 60.65 58.01 2kfj s ILE 83 Cb -0.17 -3.15 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2kfj s ILE 83 CO -0.17 0.29 -0.24 -0.60 -1.23 0.00 0.00 174.94 172.99 2kfj s ARG 84 N -1.91 2.17 -0.10 2.79 3.52 0.13 -1.34 118.95 124.22 2kfj s ARG 84 Ca 0.25 -0.89 -0.02 0.00 -0.13 0.00 0.00 55.73 54.93 2kfj s ARG 84 Cb -0.12 -2.10 0.04 0.00 -1.56 0.00 0.00 34.95 31.21 2kfj s ARG 84 CO 0.16 0.57 0.04 -0.51 -0.81 0.00 0.00 175.30 174.75 2kfj s LEU 85 N -0.65 0.53 0.00 -0.88 2.01 0.77 -2.93 118.68 117.53 2kfj s LEU 85 Ca 0.10 -0.25 0.10 0.00 0.01 0.00 0.00 54.13 54.09 2kfj s LEU 85 Cb -0.10 -0.35 0.60 0.00 0.01 0.00 0.00 46.19 46.35 2kfj s LEU 85 CO -0.01 -0.25 1.04 0.00 1.01 0.00 0.00 176.35 178.14