#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 -3.87 1.53 -0.00 -1.26 -4.69 117.00 108.72 2kfj n LEU 2 Ca 0.00 -1.01 -0.31 0.00 -0.00 0.00 0.00 56.01 54.69 2kfj n LEU 2 Cb 0.00 -0.25 0.01 0.00 -0.00 0.00 0.00 43.42 43.18 2kfj n LEU 2 CO 0.00 -0.67 -0.23 0.61 -0.00 0.00 0.00 177.39 177.11 2kfj n GLY 3 N 1.71 -1.14 3.61 1.47 0.00 -1.26 -4.95 105.19 104.62 2kfj n GLY 3 Ca 0.07 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 2kfj n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfj s SER 4 N -3.14 0.02 0.06 1.61 0.01 -1.26 -4.40 113.70 106.59 2kfj s SER 4 Ca 0.14 -0.99 0.08 0.00 1.31 0.00 0.00 55.95 56.50 2kfj s SER 4 Cb -0.08 0.62 -0.03 0.00 0.21 0.00 0.00 66.02 66.74 2kfj s SER 4 CO 0.90 -1.21 -0.23 -0.63 0.41 0.00 0.00 173.24 172.48 2kfj s ILE 5 N -3.79 1.85 0.02 1.44 1.01 -0.83 -4.92 121.20 115.99 2kfj s ILE 5 Ca 0.22 -1.34 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 2kfj s ILE 5 Cb -0.01 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2kfj s ILE 5 CO 0.10 0.21 0.12 -0.22 0.00 0.00 0.00 174.94 175.16 2kfj s LEU 6 N -1.35 4.06 -0.22 2.97 1.98 -1.25 -0.51 118.68 124.35 2kfj s LEU 6 Ca 0.09 0.18 0.01 0.00 -2.89 0.00 0.00 54.13 51.52 2kfj s LEU 6 Cb -0.09 -2.50 0.05 0.00 0.66 0.00 0.00 46.19 44.31 2kfj s LEU 6 CO 0.02 0.23 -0.09 -0.36 -1.89 0.00 0.00 176.35 174.27 2kfj s PHE 7 N -1.31 2.58 -1.04 5.38 0.40 0.68 0.12 117.98 124.80 2kfj s PHE 7 Ca 0.27 -1.78 -0.15 0.00 -0.60 0.00 0.00 56.93 54.67 2kfj s PHE 7 Cb -0.12 -1.68 0.18 0.00 0.51 0.00 0.00 43.02 41.90 2kfj s PHE 7 CO 0.19 -0.78 1.18 0.50 0.70 0.00 0.00 175.22 177.00 2kfj s ARG 8 N 1.34 3.86 0.89 0.44 3.52 0.13 0.91 118.95 130.04 2kfj s ARG 8 Ca -0.04 -2.37 -0.11 0.00 -0.13 0.00 0.00 55.73 53.09 2kfj s ARG 8 Cb -0.18 -4.84 0.13 0.00 -1.56 0.00 0.00 34.95 28.50 2kfj s ARG 8 CO -0.07 -1.62 1.11 0.42 -0.81 0.00 0.00 175.30 174.33 2kfj s ILE 9 N 1.33 2.58 -0.28 4.11 1.09 0.20 -0.37 121.20 129.86 2kfj s ILE 9 Ca 0.34 0.19 -0.21 0.00 -1.10 0.00 0.00 60.65 59.86 2kfj s ILE 9 Cb -0.06 -2.45 0.09 0.00 -1.06 0.00 0.00 42.46 38.98 2kfj s ILE 9 CO -0.06 -0.25 0.78 -0.94 -0.10 0.00 0.00 174.94 174.38 2kfj s SER 10 N -3.03 -0.75 0.31 3.58 1.04 0.81 0.47 113.70 116.14 2kfj s SER 10 Ca 0.64 1.32 -0.02 0.00 0.48 0.00 0.00 55.95 58.38 2kfj s SER 10 Cb -0.20 1.33 -0.01 0.00 0.10 0.00 0.00 66.02 67.24 2kfj s SER 10 CO 0.58 -0.22 0.41 -0.47 0.98 0.00 0.00 173.24 174.52 2kfj s TYR 11 N 0.84 1.08 0.56 5.02 5.04 -0.67 0.19 117.35 129.40 2kfj s TYR 11 Ca -0.04 -1.28 0.46 0.00 -2.44 0.00 0.00 57.07 53.77 2kfj s TYR 11 Cb -0.05 -0.18 1.56 0.00 0.35 0.00 0.00 41.96 43.64 2kfj s TYR 11 CO -0.08 -1.03 1.49 -1.71 -1.34 0.00 0.00 175.55 172.88 2kfj n ASN 12 N -1.18 0.00 0.00 4.32 2.85 -1.26 -2.62 115.26 117.38 2kfj n ASN 12 Ca 0.02 0.94 0.00 0.00 -0.11 0.00 0.00 54.58 55.42 2kfj n ASN 12 Cb 0.62 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.20 2kfj n ASN 12 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2kfj n SER 13 N -3.76 0.00 -1.21 1.20 2.88 -1.26 -5.08 113.62 106.39 2kfj n SER 13 Ca 0.40 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.92 2kfj n SER 13 Cb 1.91 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 65.36 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 0.04 -3.82 -1.46 1.02 -1.08 -5.14 120.64 110.21 2kfj n GLU 14 Ca 0.00 -0.31 -0.36 0.00 -0.02 0.00 0.00 57.16 56.47 2kfj n GLU 14 Cb 0.00 0.26 -0.12 0.00 -0.02 0.00 0.00 31.44 31.56 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 -2.19 4.34 0.50 -3.67 1.01 -1.26 -1.68 121.20 118.25 2kfj s ILE 15 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2kfj s ILE 15 Cb 0.00 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 2kfj s ILE 15 CO 0.03 0.36 0.17 -0.36 0.00 0.00 0.00 174.94 175.13 2kfj s PHE 16 N 1.41 1.94 0.04 3.97 0.08 0.18 -4.95 117.98 120.64 2kfj s PHE 16 Ca 0.05 -0.84 0.04 0.00 0.12 0.00 0.00 56.93 56.30 2kfj s PHE 16 Cb -0.15 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 2kfj s PHE 16 CO 0.03 -0.00 -0.12 0.95 -0.10 0.00 0.00 175.22 175.98 2kfj s THR 17 N -2.79 0.94 -0.13 0.64 -4.23 -1.26 0.60 115.64 109.41 2kfj s THR 17 Ca 0.22 -1.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.69 2kfj s THR 17 Cb 0.01 -0.88 0.06 0.00 1.34 0.00 0.00 72.50 73.03 2kfj s THR 17 CO 0.13 -0.10 0.27 -0.22 -0.54 0.00 0.00 174.62 174.16 2kfj s LEU 18 N -1.23 -0.17 -0.15 4.79 1.98 0.26 -4.90 118.68 119.25 2kfj s LEU 18 Ca -0.01 0.60 -0.29 0.00 -2.89 0.00 0.00 54.13 51.53 2kfj s LEU 18 Cb -0.08 0.74 -0.02 0.00 0.66 0.00 0.00 46.19 47.50 2kfj s LEU 18 CO 0.01 -0.22 1.24 -0.22 -1.89 0.00 0.00 176.35 175.26 2kfj s LEU 19 N 2.18 4.19 -0.15 -0.68 1.98 -1.26 -0.23 118.68 124.71 2kfj s LEU 19 Ca -0.01 1.69 0.00 0.00 -2.89 0.00 0.00 54.13 52.92 2kfj s LEU 19 Cb -0.12 -3.54 0.03 0.00 0.66 0.00 0.00 46.19 43.23 2kfj s LEU 19 CO -0.09 -0.73 -0.09 0.54 -1.89 0.00 0.00 176.35 174.10 2kfj s VAL 20 N 3.26 1.32 1.12 1.68 0.11 0.33 -4.95 120.40 123.27 2kfj s VAL 20 Ca 0.54 -0.62 -0.15 0.00 -2.93 0.00 0.00 61.98 58.82 2kfj s VAL 20 Cb -0.22 -1.36 0.20 0.00 -1.53 0.00 0.00 36.38 33.46 2kfj s VAL 20 CO 0.15 0.28 0.62 -0.62 -3.33 0.00 0.00 175.10 172.21 2kfj n GLU 21 N 4.83 -1.86 -0.34 1.54 4.71 -1.26 -1.96 120.64 126.30 2kfj n GLU 21 Ca -0.14 -0.51 0.05 0.00 -0.01 0.00 0.00 57.16 56.54 2kfj n GLU 21 Cb 0.49 -1.99 0.18 0.00 -1.01 0.00 0.00 31.44 29.11 2kfj n GLU 21 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2kfj n LYS 22 N -3.65 2.47 -0.04 3.49 5.02 -1.26 -3.61 118.16 120.59 2kfj n LYS 22 Ca 0.03 -1.46 -0.05 0.00 -2.02 0.00 0.00 58.31 54.81 2kfj n LYS 22 Cb 0.57 -1.63 -0.04 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 0.43 0.46 -1.54 -0.18 3.14 -1.26 -4.91 118.33 114.46 2kfj n VAL 23 Ca 0.13 -0.22 -0.22 0.00 -2.96 0.00 0.00 64.34 61.07 2kfj n VAL 23 Cb 0.54 -0.81 -0.10 0.00 -1.06 0.00 0.00 33.84 32.42 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 -2.52 0.95 -0.52 1.45 7.02 -1.24 -4.87 117.44 117.72 2kfj n TRP 24 Ca -0.13 0.05 -0.22 0.00 -1.02 0.00 0.00 57.50 56.18 2kfj n TRP 24 Cb 0.68 -2.21 0.17 0.00 -2.42 0.00 0.00 31.31 27.53 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 14.96 -3.01 -0.29 -0.99 6.94 -1.26 -3.97 115.26 127.64 2kfj n ASN 25 Ca 0.50 -0.39 0.22 0.00 -0.02 0.00 0.00 54.58 54.90 2kfj n ASN 25 Cb 0.37 -0.83 0.53 0.00 -2.36 0.00 0.00 39.78 37.48 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 -2.67 0.57 0.00 -2.53 -0.00 -1.89 0.54 116.94 110.95 2kfj h PHE 26 Ca -0.32 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.67 2kfj h PHE 26 Cb 0.95 -0.17 0.00 0.00 -0.00 0.00 0.00 35.95 36.74 2kfj h PHE 26 CO -2.44 0.09 0.00 -3.47 -0.00 0.00 0.00 178.31 172.49 2kfj n ASP 27 N -4.55 0.00 0.21 -0.68 -0.08 -1.26 -0.32 116.55 109.87 2kfj n ASP 27 Ca 0.23 0.83 0.17 0.00 -1.51 0.00 0.00 54.79 54.51 2kfj n ASP 27 Cb 0.84 -0.40 0.72 0.00 2.34 0.00 0.00 41.12 44.62 2kfj n ASP 27 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2kfj h ASP 28 N 0.00 0.00 0.44 1.67 3.45 -1.73 0.52 116.42 120.77 2kfj h ASP 28 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 2kfj h ASP 28 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2kfj h ASP 28 CO 0.00 0.00 -0.21 0.25 -1.57 0.00 0.00 179.24 177.71 2kfj h LEU 29 N 0.00 -0.50 -2.48 1.55 5.85 0.37 0.34 115.31 120.45 2kfj h LEU 29 Ca 0.11 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2kfj h LEU 29 Cb 1.04 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2kfj h LEU 29 CO -0.00 -0.08 0.16 0.40 -0.34 0.00 0.00 178.44 178.58 2kfj h ILE 30 N -1.08 0.10 0.00 4.05 1.08 0.15 0.53 117.51 122.34 2kfj h ILE 30 Ca -0.06 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.34 2kfj h ILE 30 Cb 0.53 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2kfj h ILE 30 CO 0.10 0.00 -1.21 0.23 -0.69 0.00 0.00 178.15 176.58 2kfj n MET 31 N -3.16 0.61 -0.13 2.37 2.81 -0.50 -2.17 117.12 116.95 2kfj n MET 31 Ca -0.02 0.15 -0.12 0.00 -1.81 0.00 0.00 57.70 55.90 2kfj n MET 31 Cb 0.23 -1.81 -0.01 0.00 -0.71 0.00 0.00 33.22 30.93 2kfj n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kfj h ALA 32 N 1.76 0.63 0.13 3.04 0.00 0.42 -0.99 119.26 124.24 2kfj h ALA 32 Ca -0.07 -0.43 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 2kfj h ALA 32 Cb 1.25 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2kfj h ALA 32 CO 0.02 0.68 -1.14 0.82 0.00 0.00 0.00 179.25 179.63 2kfj h ILE 33 N 0.79 1.27 0.00 0.00 5.03 -1.57 -3.22 117.51 119.80 2kfj h ILE 33 Ca 0.08 -2.48 0.00 0.00 -0.12 0.00 0.00 64.86 62.34 2kfj h ILE 33 Cb 0.92 2.95 0.00 0.00 -3.03 0.00 0.00 36.82 37.66 2kfj h ILE 33 CO 0.09 0.71 0.00 0.78 -0.68 0.00 0.00 178.15 179.05 2kfj h ASN 34 N -0.32 0.00 0.48 1.72 -0.26 -1.46 0.14 115.58 115.88 2kfj h ASN 34 Ca -0.23 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.22 2kfj h ASN 34 Cb 1.72 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 39.00 2kfj h ASN 34 CO 0.11 0.00 -1.29 -1.28 -1.06 0.00 0.00 177.43 173.91 2kfj h SER 35 N 0.00 0.58 -0.00 5.81 0.87 -1.19 -1.09 113.55 118.52 2kfj h SER 35 Ca 0.00 -0.60 -0.03 0.00 -1.23 0.00 0.00 61.79 59.93 2kfj h SER 35 Cb 0.01 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2kfj h SER 35 CO 0.00 1.46 -0.12 0.11 -0.53 0.00 0.00 176.83 177.75 2kfj h LYS 36 N 0.12 0.09 0.00 2.24 6.56 -0.84 -3.06 116.57 121.67 2kfj h LYS 36 Ca -0.17 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 2kfj h LYS 36 Cb 2.00 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 33.69 2kfj h LYS 36 CO 0.22 0.85 0.00 0.44 -2.06 0.00 0.00 179.45 178.90 2kfj n ILE 37 N -4.61 0.23 0.15 1.86 -5.35 -0.27 -3.31 119.36 108.05 2kfj n ILE 37 Ca -0.10 0.06 0.17 0.00 -0.27 0.00 0.00 62.75 62.62 2kfj n ILE 37 Cb 0.44 -0.69 0.63 0.00 -1.74 0.00 0.00 39.64 38.27 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 -1.08 -0.18 113.55 118.50 2kfj h SER 38 Ca 0.00 0.00 0.56 0.00 -1.23 0.00 0.00 61.79 61.12 2kfj h SER 38 Cb 0.15 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.04 2kfj h SER 38 CO 0.00 0.00 1.41 -0.55 -0.53 0.00 0.00 176.83 177.16 2kfj h ASN 39 N 0.00 0.00 -3.74 6.23 7.08 -1.78 -3.08 115.58 120.29 2kfj h ASN 39 Ca 0.16 0.00 -0.67 0.00 -3.08 0.00 0.00 56.30 52.71 2kfj h ASN 39 Cb 1.36 0.00 -0.39 0.00 -2.08 0.00 0.00 38.32 37.21 2kfj h ASN 39 CO -0.00 0.00 -0.74 0.28 -2.08 0.00 0.00 177.43 174.89 2kfj s THR 40 N -4.86 2.30 -0.30 6.14 -1.32 -0.08 -4.95 115.64 112.57 2kfj s THR 40 Ca -0.05 -2.09 0.02 0.00 -1.21 0.00 0.00 61.69 58.37 2kfj s THR 40 Cb 0.27 -2.58 0.41 0.00 -1.51 0.00 0.00 72.50 69.08 2kfj s THR 40 CO 0.89 -0.41 1.63 0.00 -2.21 0.00 0.00 174.62 174.52 2kfj n HIS 41 N 4.33 1.94 -0.01 9.09 1.44 -1.16 -4.00 115.22 126.85 2kfj n HIS 41 Ca -0.02 -1.45 -0.17 0.00 -2.01 0.00 0.00 57.72 54.07 2kfj n HIS 41 Cb 0.42 -0.73 -0.14 0.00 0.12 0.00 0.00 29.99 29.66 2kfj n HIS 41 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 2kfj n ILE 42 N -0.48 1.71 0.00 0.61 -5.35 -1.26 -4.92 119.36 109.67 2kfj n ILE 42 Ca 0.38 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2kfj n ILE 42 Cb 1.17 -1.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 2kfj n ILE 42 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2kfj n SER 43 N -3.32 0.00 -3.03 7.28 7.64 -1.26 -5.18 113.62 115.75 2kfj n SER 43 Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2kfj n SER 43 Cb 1.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 2kfj n SER 43 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2kfj n PRO 44 N 0.00 0.67 -3.99 1.43 -0.04 -1.26 -5.03 135.00 126.77 2kfj n PRO 44 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2kfj n PRO 44 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 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 -0.22 2.17 0.47 0.52 -5.25 -1.26 -4.94 121.20 112.69 2kfj s ILE 45 Ca 0.00 -2.29 0.33 0.00 -0.99 0.00 0.00 60.65 57.70 2kfj s ILE 45 Cb 0.00 -2.60 0.36 0.00 2.95 0.00 0.00 42.46 43.17 2kfj s ILE 45 CO 0.00 -0.61 2.18 0.71 -1.79 0.00 0.00 174.94 175.42 2kfj h THR 46 N 6.57 0.33 -4.19 8.37 1.35 -1.96 -3.42 112.91 119.96 2kfj h THR 46 Ca -0.05 -0.29 -0.69 0.00 -0.55 0.00 0.00 66.41 64.83 2kfj h THR 46 Cb 1.02 1.21 -0.25 0.00 -1.73 0.00 0.00 68.15 68.40 2kfj h THR 46 CO 0.52 0.05 -0.85 -1.59 -0.25 0.00 0.00 175.52 173.40 2kfj s LYS 47 N -4.19 1.92 0.07 4.72 -2.85 -1.26 -4.92 119.74 113.22 2kfj s LYS 47 Ca -0.03 -1.05 0.02 0.00 -1.00 0.00 0.00 55.97 53.91 2kfj s LYS 47 Cb 0.13 -2.06 -0.03 0.00 -2.06 0.00 0.00 37.83 33.81 2kfj s LYS 47 CO 0.53 0.53 -0.08 0.96 0.10 0.00 0.00 175.35 177.38 2kfj s ILE 48 N -0.84 0.65 -0.13 3.79 -5.25 -1.18 -4.99 121.20 113.26 2kfj s ILE 48 Ca 0.13 -1.48 -0.00 0.00 -0.99 0.00 0.00 60.65 58.31 2kfj s ILE 48 Cb -0.10 -1.12 -0.01 0.00 2.95 0.00 0.00 42.46 44.18 2kfj s ILE 48 CO 0.03 -0.59 -0.13 -0.75 -1.79 0.00 0.00 174.94 171.71 2kfj s LYS 49 N -2.60 3.37 0.11 0.37 2.20 -1.16 0.12 119.74 122.15 2kfj s LYS 49 Ca 0.00 -0.69 0.10 0.00 -0.36 0.00 0.00 55.97 55.02 2kfj s LYS 49 Cb -0.03 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 2kfj s LYS 49 CO -0.02 0.20 -0.24 1.52 -0.36 0.00 0.00 175.35 176.45 2kfj s TYR 50 N 0.39 2.38 0.43 4.03 1.13 0.83 -0.12 117.35 126.42 2kfj s TYR 50 Ca -0.11 -0.35 -0.22 0.00 -1.41 0.00 0.00 57.07 54.99 2kfj s TYR 50 Cb -0.16 -1.31 -0.10 0.00 -1.10 0.00 0.00 41.96 39.30 2kfj s TYR 50 CO 0.05 0.31 1.00 -1.14 -2.51 0.00 0.00 175.55 173.27 2kfj s GLN 51 N -1.92 4.10 0.22 -3.49 0.74 -1.07 -0.40 119.66 117.85 2kfj s GLN 51 Ca 0.15 1.29 0.01 0.00 0.05 0.00 0.00 55.36 56.85 2kfj s GLN 51 Cb -0.10 -2.27 0.01 0.00 1.10 0.00 0.00 33.01 31.74 2kfj s GLN 51 CO 0.06 -0.16 0.05 -0.40 -0.55 0.00 0.00 175.29 174.29 2kfj n ASP 52 N -0.54 2.37 0.16 6.67 5.68 -1.26 -4.85 116.55 124.79 2kfj n ASP 52 Ca 0.07 -1.92 0.05 0.00 -0.50 0.00 0.00 54.79 52.49 2kfj n ASP 52 Cb 0.52 0.11 0.48 0.00 -1.14 0.00 0.00 41.12 41.09 2kfj n ASP 52 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2kfj h GLU 53 N 0.00 0.16 -0.13 0.11 4.11 -1.92 0.16 114.58 117.07 2kfj h GLU 53 Ca -0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.23 2kfj h GLU 53 Cb 0.55 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kfj h GLU 53 CO 0.28 0.24 0.00 -0.25 0.07 0.00 0.00 179.01 179.35 2kfj n ASP 54 N -4.37 0.89 -0.97 3.06 8.00 -1.26 -4.85 116.55 117.04 2kfj n ASP 54 Ca -0.01 -1.80 -0.11 0.00 0.71 0.00 0.00 54.79 53.57 2kfj n ASP 54 Cb 0.19 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.86 1.09 3.40 0.44 0.00 0.56 -4.89 105.19 106.66 2kfj n GLY 55 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 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 6.20 -0.39 1.61 1.11 -1.26 -4.74 116.67 116.97 2kfj s ASP 56 Ca 0.00 -1.21 -0.42 0.00 0.18 0.00 0.00 52.55 51.10 2kfj s ASP 56 Cb 0.00 -2.30 -0.17 0.00 1.07 0.00 0.00 42.92 41.52 2kfj s ASP 56 CO 0.00 -1.02 1.82 2.22 1.18 0.00 0.00 175.17 179.37 2kfj n PHE 57 N 6.27 1.77 -5.19 4.23 1.16 -1.26 -4.05 117.46 120.38 2kfj n PHE 57 Ca -0.08 0.74 -0.32 0.00 -1.87 0.00 0.00 57.45 55.92 2kfj n PHE 57 Cb 0.44 -2.37 -0.16 0.00 -1.61 0.00 0.00 39.48 35.78 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 4.23 2.26 0.83 1.97 -7.23 0.47 -4.91 120.40 118.02 2kfj s VAL 58 Ca 1.05 -1.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.10 2kfj s VAL 58 Cb -1.25 -1.83 0.10 0.00 0.56 0.00 0.00 36.38 33.96 2kfj s VAL 58 CO 0.69 0.57 1.18 0.54 -0.31 0.00 0.00 175.10 177.77 2kfj s VAL 59 N -0.31 2.17 -0.18 1.32 0.11 -1.26 -0.12 120.40 122.13 2kfj s VAL 59 Ca 0.01 0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2kfj s VAL 59 Cb -0.13 -2.36 0.08 0.00 -1.53 0.00 0.00 36.38 32.45 2kfj s VAL 59 CO 0.02 -0.06 0.21 -0.22 -3.33 0.00 0.00 175.10 171.73 2kfj s LEU 60 N -5.97 -0.10 0.00 2.54 2.96 0.31 -4.72 118.68 113.70 2kfj s LEU 60 Ca 0.70 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 2kfj s LEU 60 Cb -0.26 0.38 0.03 0.00 0.50 0.00 0.00 46.19 46.84 2kfj s LEU 60 CO 0.53 -0.31 0.75 0.61 -1.32 0.00 0.00 176.35 176.61 2kfj n GLY 61 N 5.32 0.80 3.61 7.98 0.00 -1.26 -3.07 105.19 118.56 2kfj n GLY 61 Ca -0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 2kfj n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfj s SER 62 N -0.55 0.29 0.16 1.61 1.04 -1.26 -4.98 113.70 110.00 2kfj s SER 62 Ca 0.03 -1.16 0.08 0.00 0.48 0.00 0.00 55.95 55.37 2kfj s SER 62 Cb 0.03 0.67 -0.08 0.00 0.10 0.00 0.00 66.02 66.74 2kfj s SER 62 CO -0.01 -1.31 1.35 -2.24 0.98 0.00 0.00 173.24 172.01 2kfj h ASP 63 N 2.14 0.00 0.80 7.02 3.04 -1.96 0.20 116.42 127.67 2kfj h ASP 63 Ca -0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 2kfj h ASP 63 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2kfj h ASP 63 CO 0.37 0.91 0.00 1.21 -2.04 0.00 0.00 179.24 179.69 2kfj n GLU 64 N -3.44 0.17 -0.00 4.15 2.13 -1.26 0.68 120.64 123.07 2kfj n GLU 64 Ca -0.00 0.36 0.04 0.00 0.66 0.00 0.00 57.16 58.22 2kfj n GLU 64 Cb 0.87 -1.80 -0.06 0.00 0.27 0.00 0.00 31.44 30.72 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 -2.12 1.84 0.02 4.31 9.92 -1.13 -3.28 116.55 126.10 2kfj n ASP 65 Ca 0.03 -0.31 0.04 0.00 -0.53 0.00 0.00 54.79 54.01 2kfj n ASP 65 Cb 0.25 1.22 -0.10 0.00 -0.64 0.00 0.00 41.12 41.85 2kfj n ASP 65 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2kfj n TRP 66 N -1.54 0.57 -0.12 1.24 -0.00 0.05 -3.38 117.44 114.25 2kfj n TRP 66 Ca -0.00 0.18 -0.26 0.00 -0.00 0.00 0.00 57.50 57.42 2kfj n TRP 66 Cb 0.19 -0.89 -0.11 0.00 -0.00 0.00 0.00 31.31 30.50 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 -2.65 1.91 0.19 5.87 5.15 0.22 -3.45 115.26 122.49 2kfj n ASN 67 Ca -0.10 0.38 0.13 0.00 -0.60 0.00 0.00 54.58 54.40 2kfj n ASN 67 Cb 0.76 -0.89 0.69 0.00 -0.53 0.00 0.00 39.78 39.81 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 -1.00 0.00 0.17 3.44 2.07 -1.68 0.58 116.25 119.82 2kfj h VAL 68 Ca -0.52 -0.03 -0.34 0.00 0.82 0.00 0.00 66.70 66.63 2kfj h VAL 68 Cb 1.45 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2kfj h VAL 68 CO -0.32 0.00 -1.68 0.00 0.02 0.00 0.00 177.57 175.59 2kfj h ALA 69 N 2.02 0.18 0.39 1.67 0.00 -1.70 -3.31 119.26 118.51 2kfj h ALA 69 Ca 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 54.91 53.77 2kfj h ALA 69 Cb 0.05 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kfj h ALA 69 CO 0.00 1.04 -0.19 0.87 0.00 0.00 0.00 179.25 180.97 2kfj h LYS 70 N 0.10 -0.51 -0.98 0.00 1.57 -0.97 -2.43 116.57 113.36 2kfj h LYS 70 Ca -0.31 0.03 0.28 0.00 -1.87 0.00 0.00 60.65 58.79 2kfj h LYS 70 Cb 2.08 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 34.47 2kfj h LYS 70 CO 0.18 -0.21 0.99 1.05 -0.57 0.00 0.00 179.45 180.89 2kfj h GLU 71 N -0.82 0.00 0.25 3.15 4.11 -1.38 1.44 114.58 121.33 2kfj h GLU 71 Ca -0.05 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.04 2kfj h GLU 71 Cb 0.54 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.83 2kfj h GLU 71 CO 0.09 0.00 -1.48 1.98 0.07 0.00 0.00 179.01 179.67 2kfj h MET 72 N 0.00 0.55 0.07 1.06 4.05 -1.54 -3.19 114.93 115.93 2kfj h MET 72 Ca 0.46 -0.92 0.01 0.00 -0.28 0.00 0.00 59.70 58.97 2kfj h MET 72 Cb 2.44 0.34 -0.03 0.00 -0.80 0.00 0.00 31.60 33.55 2kfj h MET 72 CO -0.00 1.44 -0.38 -0.07 0.23 0.00 0.00 176.91 178.13 2kfj h LEU 73 N 0.15 -1.14 -1.84 3.39 -0.00 0.24 0.98 115.31 117.10 2kfj h LEU 73 Ca -0.25 0.12 0.28 0.00 -0.00 0.00 0.00 57.88 58.03 2kfj h LEU 73 Cb 2.17 0.42 -0.05 0.00 -0.00 0.00 0.00 40.66 43.20 2kfj h LEU 73 CO 0.28 -0.39 0.71 0.00 -0.00 0.00 0.00 178.44 179.03 2kfj h ALA 74 N -0.82 2.76 -0.00 1.53 0.00 -1.64 1.36 119.26 122.45 2kfj h ALA 74 Ca -0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2kfj h ALA 74 Cb 0.54 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kfj h ALA 74 CO -0.21 -1.07 -0.78 0.93 0.00 0.00 0.00 179.25 178.11 2kfj h GLU 75 N 0.11 0.04 -0.40 0.00 5.08 -0.60 -2.74 114.58 116.06 2kfj h GLU 75 Ca 0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2kfj h GLU 75 Cb 1.79 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.05 2kfj h GLU 75 CO -0.07 0.80 0.00 0.09 -1.00 0.00 0.00 179.01 178.82 2kfj n ASN 76 N -3.64 1.88 -3.74 1.42 5.03 0.45 -4.87 115.26 111.79 2kfj n ASN 76 Ca -0.01 -2.07 -0.26 0.00 0.87 0.00 0.00 54.58 53.10 2kfj n ASN 76 Cb 0.75 -0.27 -0.05 0.00 -1.02 0.00 0.00 39.78 39.19 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 0.36 -1.61 -4.52 6.41 3.02 -0.38 -4.87 115.26 113.68 2kfj n ASN 77 Ca 0.10 -0.56 -0.31 0.00 -0.03 0.00 0.00 54.58 53.78 2kfj n ASN 77 Cb 0.33 -1.44 -0.12 0.00 -0.61 0.00 0.00 39.78 37.94 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 -6.36 2.28 -0.17 3.52 -1.05 -1.10 -5.01 118.70 110.80 2kfj s GLU 78 Ca 0.51 -0.87 0.17 0.00 -0.15 0.00 0.00 54.97 54.63 2kfj s GLU 78 Cb -0.30 -2.32 0.52 0.00 -0.44 0.00 0.00 34.13 31.59 2kfj s GLU 78 CO 0.63 0.57 1.41 1.63 0.95 0.00 0.00 175.26 180.44 2kfj n LYS 79 N 1.55 2.86 -4.02 -4.83 5.02 -1.26 -4.47 118.16 113.00 2kfj n LYS 79 Ca -0.16 -2.82 -0.08 0.00 -2.02 0.00 0.00 58.31 53.24 2kfj n LYS 79 Cb 0.52 -1.82 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 2kfj n LYS 79 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2kfj s PHE 80 N -2.79 0.40 0.19 2.13 -0.12 -1.26 -3.83 117.98 112.69 2kfj s PHE 80 Ca 0.41 -0.86 0.03 0.00 -0.05 0.00 0.00 56.93 56.46 2kfj s PHE 80 Cb 0.33 -0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 2kfj s PHE 80 CO 0.09 -0.38 -0.02 -1.17 -0.05 0.00 0.00 175.22 173.70 2kfj s LEU 81 N -2.63 2.20 -0.02 -1.99 1.98 0.33 -4.84 118.68 113.71 2kfj s LEU 81 Ca 0.02 -1.16 0.03 0.00 -2.89 0.00 0.00 54.13 50.13 2kfj s LEU 81 Cb 0.04 -0.17 -0.00 0.00 0.66 0.00 0.00 46.19 46.72 2kfj s LEU 81 CO -0.08 -0.52 -0.10 0.21 -1.89 0.00 0.00 176.35 173.97 2kfj s ASN 82 N -3.21 1.22 -0.03 3.68 2.47 -1.26 0.19 114.94 117.99 2kfj s ASN 82 Ca 0.24 -0.19 0.03 0.00 0.42 0.00 0.00 52.86 53.36 2kfj s ASN 82 Cb 0.05 -0.22 0.00 0.00 -1.45 0.00 0.00 41.25 39.64 2kfj s ASN 82 CO 0.05 0.10 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.79 2kfj s ILE 83 N -0.06 0.90 0.10 -5.21 -1.09 0.50 -2.59 121.20 113.76 2kfj s ILE 83 Ca 0.01 -0.44 0.06 0.00 -2.23 0.00 0.00 60.65 58.06 2kfj s ILE 83 Cb -0.06 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 39.99 2kfj s ILE 83 CO -0.00 0.27 -0.07 -0.60 -1.23 0.00 0.00 174.94 173.32 2kfj s ARG 84 N 0.09 2.26 -0.05 2.79 3.52 0.84 -0.14 118.95 128.26 2kfj s ARG 84 Ca -0.02 -0.97 0.01 0.00 -0.13 0.00 0.00 55.73 54.62 2kfj s ARG 84 Cb -0.08 -2.38 0.02 0.00 -1.56 0.00 0.00 34.95 30.95 2kfj s ARG 84 CO 0.01 0.52 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.46 2kfj s LEU 85 N -2.26 1.19 0.00 -0.88 1.43 0.49 -3.00 118.68 115.66 2kfj s LEU 85 Ca 0.23 -0.13 0.13 0.00 -1.03 0.00 0.00 54.13 53.32 2kfj s LEU 85 Cb -0.11 -0.48 0.10 0.00 0.03 0.00 0.00 46.19 45.73 2kfj s LEU 85 CO 0.15 -0.08 0.90 0.00 0.23 0.00 0.00 176.35 177.55