#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfj s LEU 2 N 0.00 6.31 0.00 1.53 2.34 -1.26 -4.67 118.68 122.94 2kfj s LEU 2 Ca 0.00 -2.20 0.02 0.00 0.06 0.00 0.00 54.13 52.01 2kfj s LEU 2 Cb 0.00 -2.23 0.03 0.00 -0.56 0.00 0.00 46.19 43.43 2kfj s LEU 2 CO 0.00 -0.76 0.76 0.61 -1.06 0.00 0.00 176.35 175.90 2kfj n GLY 3 N 4.66 0.78 3.83 -3.48 0.00 -1.26 -5.13 105.19 104.59 2kfj n GLY 3 Ca 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.57 -0.04 0.05 1.61 0.01 -1.26 -4.57 113.70 108.93 2kfj s SER 4 Ca 0.02 -0.83 0.08 0.00 1.31 0.00 0.00 55.95 56.53 2kfj s SER 4 Cb 0.02 0.67 -0.03 0.00 0.21 0.00 0.00 66.02 66.89 2kfj s SER 4 CO -0.01 -1.30 -0.23 -0.63 0.41 0.00 0.00 173.24 171.48 2kfj s ILE 5 N -2.54 1.86 -0.02 1.44 1.01 -0.86 -4.89 121.20 117.20 2kfj s ILE 5 Ca 0.17 -1.29 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 2kfj s ILE 5 Cb -0.04 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 2kfj s ILE 5 CO 0.08 0.25 0.10 -0.22 0.00 0.00 0.00 174.94 175.15 2kfj s LEU 6 N -1.25 4.01 -0.15 2.97 1.98 -1.26 -1.11 118.68 123.88 2kfj s LEU 6 Ca 0.09 0.21 0.00 0.00 -2.89 0.00 0.00 54.13 51.54 2kfj s LEU 6 Cb -0.09 -2.31 0.02 0.00 0.66 0.00 0.00 46.19 44.47 2kfj s LEU 6 CO 0.02 0.28 -0.15 -0.36 -1.89 0.00 0.00 176.35 174.26 2kfj s PHE 7 N -1.20 2.22 -0.98 5.38 0.40 0.18 0.59 117.98 124.57 2kfj s PHE 7 Ca 0.23 -1.25 -0.04 0.00 -0.60 0.00 0.00 56.93 55.27 2kfj s PHE 7 Cb -0.12 -1.62 0.26 0.00 0.51 0.00 0.00 43.02 42.05 2kfj s PHE 7 CO 0.14 -0.68 1.01 2.89 0.70 0.00 0.00 175.22 179.28 2kfj n ARG 8 N 4.75 3.25 -1.39 0.44 1.85 -0.82 0.84 116.66 125.56 2kfj n ARG 8 Ca -0.17 -4.51 -0.52 0.00 -1.00 0.00 0.00 57.85 51.65 2kfj n ARG 8 Cb 0.50 -2.46 -0.09 0.00 -1.05 0.00 0.00 32.46 29.36 2kfj n ARG 8 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2kfj n ILE 9 N 2.11 0.10 -3.69 8.89 -0.00 0.53 -3.18 119.36 124.12 2kfj n ILE 9 Ca 0.24 -0.18 -0.38 0.00 -0.00 0.00 0.00 62.75 62.43 2kfj n ILE 9 Cb 0.37 -1.26 -0.12 0.00 -0.00 0.00 0.00 39.64 38.64 2kfj n ILE 9 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 2kfj s SER 10 N 7.26 5.43 0.05 4.38 0.01 0.95 -0.61 113.70 131.17 2kfj s SER 10 Ca 1.14 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2kfj s SER 10 Cb -1.06 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 63.20 2kfj s SER 10 CO 0.53 -0.17 0.00 0.00 0.41 0.00 0.00 173.24 174.02 2kfj n TYR 11 N 4.96 -1.73 -0.03 2.43 9.36 0.97 -0.16 117.16 132.95 2kfj n TYR 11 Ca -0.14 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 60.94 2kfj n TYR 11 Cb 0.49 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.13 2kfj n TYR 11 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 2kfj h ASN 12 N 0.00 -1.55 0.00 2.98 -1.24 -1.67 -3.33 115.58 110.77 2kfj h ASN 12 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.21 2kfj h ASN 12 Cb 0.00 0.62 0.00 0.00 0.73 0.00 0.00 38.32 39.67 2kfj h ASN 12 CO 0.00 -0.45 -0.10 -1.20 -1.29 0.00 0.00 177.43 174.40 2kfj n SER 13 N -5.43 0.24 -4.73 1.15 7.64 -1.26 -5.08 113.62 106.14 2kfj n SER 13 Ca -0.04 -1.34 -0.23 0.00 1.01 0.00 0.00 58.87 58.27 2kfj n SER 13 Cb 0.37 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.46 2kfj n SER 13 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kfj s GLU 14 N -0.16 2.60 -0.02 1.43 2.02 -1.25 -5.14 118.70 118.18 2kfj s GLU 14 Ca 0.01 -1.21 -0.05 0.00 0.02 0.00 0.00 54.97 53.74 2kfj s GLU 14 Cb 0.01 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.87 2kfj s GLU 14 CO 0.00 0.39 0.10 0.42 0.02 0.00 0.00 175.26 176.20 2kfj s ILE 15 N -2.16 0.05 -0.12 -1.63 -1.09 -1.26 -0.02 121.20 114.97 2kfj s ILE 15 Ca 0.32 -0.39 -0.26 0.00 -2.23 0.00 0.00 60.65 58.09 2kfj s ILE 15 Cb -0.07 -0.28 0.06 0.00 -1.58 0.00 0.00 42.46 40.59 2kfj s ILE 15 CO 0.22 -0.21 0.62 0.12 -1.23 0.00 0.00 174.94 174.45 2kfj s PHE 16 N -0.69 -0.62 0.22 3.97 5.36 0.22 -4.99 117.98 121.45 2kfj s PHE 16 Ca -0.08 1.25 0.07 0.00 -0.96 0.00 0.00 56.93 57.21 2kfj s PHE 16 Cb -0.05 0.31 -0.04 0.00 -0.34 0.00 0.00 43.02 42.90 2kfj s PHE 16 CO 0.00 -0.48 0.11 0.95 -1.46 0.00 0.00 175.22 174.35 2kfj s THR 17 N -0.62 4.16 -0.30 0.12 -4.23 -1.26 0.20 115.64 113.71 2kfj s THR 17 Ca -0.07 -1.40 -0.13 0.00 -1.18 0.00 0.00 61.69 58.91 2kfj s THR 17 Cb -0.02 -3.19 0.15 0.00 1.34 0.00 0.00 72.50 70.78 2kfj s THR 17 CO 0.06 -0.25 0.83 -0.22 -0.54 0.00 0.00 174.62 174.50 2kfj s LEU 18 N -3.45 -0.84 -0.04 4.79 1.98 0.25 -4.88 118.68 116.48 2kfj s LEU 18 Ca 0.31 1.14 -0.30 0.00 -2.89 0.00 0.00 54.13 52.40 2kfj s LEU 18 Cb -0.08 1.95 -0.03 0.00 0.66 0.00 0.00 46.19 48.69 2kfj s LEU 18 CO 0.23 -0.16 1.11 -0.22 -1.89 0.00 0.00 176.35 175.42 2kfj s LEU 19 N 2.66 4.30 -0.10 -0.68 1.98 -1.26 -0.65 118.68 124.94 2kfj s LEU 19 Ca -0.04 1.75 -0.00 0.00 -2.89 0.00 0.00 54.13 52.96 2kfj s LEU 19 Cb -0.09 -3.56 0.02 0.00 0.66 0.00 0.00 46.19 43.22 2kfj s LEU 19 CO -0.18 -0.47 -0.08 0.54 -1.89 0.00 0.00 176.35 174.27 2kfj s VAL 20 N 1.73 1.01 1.01 1.68 0.11 -0.26 -4.96 120.40 120.72 2kfj s VAL 20 Ca 0.54 -0.30 -0.12 0.00 -2.93 0.00 0.00 61.98 59.17 2kfj s VAL 20 Cb -0.23 -1.01 0.20 0.00 -1.53 0.00 0.00 36.38 33.80 2kfj s VAL 20 CO 0.23 0.36 1.08 -1.61 -3.33 0.00 0.00 175.10 171.84 2kfj s GLU 21 N 1.54 0.29 -0.04 1.54 2.02 -1.26 -2.03 118.70 120.75 2kfj s GLU 21 Ca 0.02 1.07 0.09 0.00 0.02 0.00 0.00 54.97 56.16 2kfj s GLU 21 Cb -0.13 -1.68 0.34 0.00 0.10 0.00 0.00 34.13 32.76 2kfj s GLU 21 CO -0.06 -2.98 1.19 1.63 0.02 0.00 0.00 175.26 175.06 2kfj n LYS 22 N -4.42 2.21 -0.05 1.61 5.02 -1.26 -3.55 118.16 117.71 2kfj n LYS 22 Ca 0.07 -1.35 -0.06 0.00 -2.02 0.00 0.00 58.31 54.95 2kfj n LYS 22 Cb 0.54 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.65 -1.55 -0.18 3.14 -1.26 -4.91 118.33 114.66 2kfj n VAL 23 Ca 0.12 -0.33 -0.37 0.00 -2.96 0.00 0.00 64.34 60.80 2kfj n VAL 23 Cb 0.45 -0.83 -0.04 0.00 -1.06 0.00 0.00 33.84 32.36 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 1.39 -0.16 1.45 8.01 -1.23 -4.91 117.44 119.43 2kfj n TRP 24 Ca -0.18 0.13 -0.11 0.00 -1.31 0.00 0.00 57.50 56.04 2kfj n TRP 24 Cb 0.77 -2.62 0.10 0.00 -2.01 0.00 0.00 31.31 27.55 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 15.40 -2.52 0.26 -0.99 0.23 -1.26 -4.11 115.26 122.27 2kfj n ASN 25 Ca 0.39 -0.31 0.09 0.00 -0.53 0.00 0.00 54.58 54.22 2kfj n ASN 25 Cb 0.51 -0.40 0.67 0.00 -2.08 0.00 0.00 39.78 38.48 2kfj n ASN 25 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 2kfj h PHE 26 N -2.46 0.00 0.27 -2.53 -5.15 -1.89 0.34 116.94 105.52 2kfj h PHE 26 Ca -0.14 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.62 2kfj h PHE 26 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.64 2kfj h PHE 26 CO 0.00 0.06 -0.13 0.22 -2.00 0.00 0.00 178.31 176.47 2kfj h ASP 27 N 0.00 -0.30 -0.66 -0.68 3.58 -1.93 -1.64 116.42 114.79 2kfj h ASP 27 Ca -0.00 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.54 2kfj h ASP 27 Cb 0.13 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 2kfj h ASP 27 CO 0.01 -0.14 0.43 0.44 -2.88 0.00 0.00 179.24 177.10 2kfj h ASP 28 N -0.51 0.51 -0.43 2.28 5.19 -1.83 0.19 116.42 121.82 2kfj h ASP 28 Ca -0.04 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.44 2kfj h ASP 28 Cb 0.27 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.63 2kfj h ASP 28 CO 0.06 0.32 0.14 0.25 -3.12 0.00 0.00 179.24 176.88 2kfj h LEU 29 N 0.57 0.13 0.11 1.55 5.85 -0.30 1.32 115.31 124.54 2kfj h LEU 29 Ca 0.29 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 2kfj h LEU 29 Cb 0.41 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2kfj h LEU 29 CO -0.09 0.10 -0.05 0.40 -0.34 0.00 0.00 178.44 178.46 2kfj h ILE 30 N 0.30 1.09 0.00 4.05 1.08 -0.09 -2.77 117.51 121.16 2kfj h ILE 30 Ca 0.20 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 2kfj h ILE 30 Cb 0.21 1.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2kfj h ILE 30 CO -0.22 0.25 0.00 0.24 -0.69 0.00 0.00 178.15 177.73 2kfj h MET 31 N -0.69 0.00 0.07 2.37 2.86 -0.39 0.32 114.93 119.47 2kfj h MET 31 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2kfj h MET 31 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2kfj h MET 31 CO 0.03 0.00 -0.03 0.00 1.06 0.00 0.00 176.91 177.96 2kfj h ALA 32 N 2.00 -0.23 -0.03 6.32 0.00 0.19 -3.08 119.26 124.44 2kfj h ALA 32 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kfj h ALA 32 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kfj h ALA 32 CO 0.00 -0.22 -0.03 0.82 0.00 0.00 0.00 179.25 179.82 2kfj h ILE 33 N -0.35 1.04 0.00 0.00 5.03 -1.25 0.31 117.51 122.30 2kfj h ILE 33 Ca -0.01 -0.18 0.00 0.00 -0.12 0.00 0.00 64.86 64.55 2kfj h ILE 33 Cb 0.07 1.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.92 2kfj h ILE 33 CO 0.01 0.06 0.00 0.59 -0.68 0.00 0.00 178.15 178.13 2kfj n ASN 34 N -4.48 0.20 -0.09 1.72 5.03 0.11 -0.44 115.26 117.32 2kfj n ASN 34 Ca -0.02 0.57 -0.09 0.00 0.87 0.00 0.00 54.58 55.90 2kfj n ASN 34 Cb 0.13 -0.60 -0.13 0.00 -1.02 0.00 0.00 39.78 38.16 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 -1.74 0.94 0.04 6.41 2.88 0.99 -3.47 113.62 119.65 2kfj n SER 35 Ca 0.02 -0.01 -0.13 0.00 -1.33 0.00 0.00 58.87 57.42 2kfj n SER 35 Cb 0.12 0.82 -0.02 0.00 -0.75 0.00 0.00 64.21 64.37 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 0.52 -0.00 -1.46 1.79 -0.41 -2.87 116.57 114.13 2kfj h LYS 36 Ca -0.46 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 57.55 2kfj h LYS 36 Cb 2.02 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.78 2kfj h LYS 36 CO 0.02 1.09 -0.25 0.44 -1.08 0.00 0.00 179.45 179.67 2kfj n ILE 37 N -3.84 0.00 -0.43 1.86 -5.35 0.41 -3.97 119.36 108.04 2kfj n ILE 37 Ca -0.06 -0.03 0.40 0.00 -0.27 0.00 0.00 62.75 62.79 2kfj n ILE 37 Cb 0.75 0.00 0.68 0.00 -1.74 0.00 0.00 39.64 39.34 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 0.31 0.00 -0.99 7.28 4.64 -1.54 0.31 113.55 123.56 2kfj h SER 38 Ca 0.00 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.61 2kfj h SER 38 Cb 0.46 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.37 2kfj h SER 38 CO 0.00 0.00 0.08 -1.13 -0.87 0.00 0.00 176.83 174.91 2kfj h ASN 39 N 0.00 -0.39 -3.83 4.97 -1.24 -1.79 -3.37 115.58 109.93 2kfj h ASN 39 Ca 0.68 0.28 -0.51 0.00 0.71 0.00 0.00 56.30 57.46 2kfj h ASN 39 Cb 3.07 0.46 0.03 0.00 0.73 0.00 0.00 38.32 42.61 2kfj h ASN 39 CO -0.01 -0.36 0.51 0.42 -1.29 0.00 0.00 177.43 176.70 2kfj s THR 40 N -5.95 3.29 -0.55 -3.57 -4.23 0.11 -4.95 115.64 99.78 2kfj s THR 40 Ca -0.12 1.29 0.03 0.00 -1.18 0.00 0.00 61.69 61.71 2kfj s THR 40 Cb 0.30 -3.82 0.41 0.00 1.34 0.00 0.00 72.50 70.72 2kfj s THR 40 CO 0.78 0.30 1.46 1.41 -0.54 0.00 0.00 174.62 178.03 2kfj n HIS 41 N 1.05 3.18 -0.00 3.99 8.25 -1.26 -4.54 115.22 125.89 2kfj n HIS 41 Ca -0.01 -2.76 -0.01 0.00 -0.26 0.00 0.00 57.72 54.69 2kfj n HIS 41 Cb 0.44 -0.55 -0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.57 0.05 0.00 1.59 -5.35 -1.26 -5.13 119.36 108.70 2kfj n ILE 42 Ca 0.46 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.92 2kfj n ILE 42 Cb 0.58 -1.04 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 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 -2.79 0.00 -3.03 7.28 7.64 -1.26 -5.17 113.62 116.29 2kfj n SER 43 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2kfj n SER 43 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.01 0.67 -3.48 1.43 -0.04 -1.26 -5.04 135.00 126.26 2kfj n PRO 44 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2kfj n PRO 44 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 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 -0.28 -2.00 0.52 -5.25 -1.26 -4.98 121.20 107.73 2kfj s ILE 45 Ca 0.00 -0.37 0.22 0.00 -0.99 0.00 0.00 60.65 59.51 2kfj s ILE 45 Cb 0.00 -0.83 0.62 0.00 2.95 0.00 0.00 42.46 45.21 2kfj s ILE 45 CO 0.00 -0.40 1.82 1.07 -1.79 0.00 0.00 174.94 175.64 2kfj n THR 46 N 5.30 0.00 -4.21 8.37 5.66 -1.26 -4.63 114.28 123.51 2kfj n THR 46 Ca -0.05 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.67 2kfj n THR 46 Cb 0.47 -0.37 -0.17 0.00 -1.55 0.00 0.00 70.33 68.71 2kfj n THR 46 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2kfj s LYS 47 N -2.00 1.99 -0.16 1.09 -0.14 -1.26 -4.76 119.74 114.50 2kfj s LYS 47 Ca 0.33 -0.46 0.01 0.00 -1.36 0.00 0.00 55.97 54.48 2kfj s LYS 47 Cb 0.15 -1.81 0.02 0.00 -1.68 0.00 0.00 37.83 34.52 2kfj s LYS 47 CO 0.25 -0.15 -0.16 0.96 -0.76 0.00 0.00 175.35 175.49 2kfj s ILE 48 N 1.27 1.71 -0.89 2.17 -4.36 -1.17 -4.94 121.20 114.99 2kfj s ILE 48 Ca -0.01 -0.72 -0.20 0.00 -0.26 0.00 0.00 60.65 59.46 2kfj s ILE 48 Cb -0.14 -1.58 0.11 0.00 1.25 0.00 0.00 42.46 42.11 2kfj s ILE 48 CO -0.05 0.48 1.12 -0.54 0.24 0.00 0.00 174.94 176.19 2kfj s LYS 49 N 1.42 3.51 0.29 0.37 1.02 -1.11 0.15 119.74 125.39 2kfj s LYS 49 Ca 0.05 -1.55 -0.16 0.00 0.02 0.00 0.00 55.97 54.32 2kfj s LYS 49 Cb -0.13 -4.84 -0.09 0.00 -0.52 0.00 0.00 37.83 32.26 2kfj s LYS 49 CO -0.11 -1.81 0.72 1.52 -0.92 0.00 0.00 175.35 174.75 2kfj s TYR 50 N 3.10 3.44 0.59 3.18 1.13 0.22 -0.25 117.35 128.75 2kfj s TYR 50 Ca 0.32 1.24 -0.14 0.00 -1.41 0.00 0.00 57.07 57.07 2kfj s TYR 50 Cb -0.07 -2.54 -0.04 0.00 -1.10 0.00 0.00 41.96 38.21 2kfj s TYR 50 CO -0.06 0.16 1.03 -1.14 -2.51 0.00 0.00 175.55 173.03 2kfj s GLN 51 N -2.72 3.52 0.37 -3.49 0.74 -1.11 -0.12 119.66 116.84 2kfj s GLN 51 Ca 0.51 1.00 0.01 0.00 0.05 0.00 0.00 55.36 56.93 2kfj s GLN 51 Cb -0.12 -2.07 -0.00 0.00 1.10 0.00 0.00 33.01 31.92 2kfj s GLN 51 CO 0.18 -0.63 0.03 -0.40 -0.55 0.00 0.00 175.29 173.92 2kfj n ASP 52 N -2.18 2.62 -0.12 6.67 5.68 -0.12 -4.88 116.55 124.22 2kfj n ASP 52 Ca 0.07 -2.69 -0.08 0.00 -0.50 0.00 0.00 54.79 51.59 2kfj n ASP 52 Cb 0.54 0.39 -0.00 0.00 -1.14 0.00 0.00 41.12 40.91 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 0.51 -0.53 0.11 4.11 -1.91 -0.65 114.58 116.23 2kfj h GLU 53 Ca -0.30 -0.04 0.15 0.00 0.07 0.00 0.00 59.36 59.25 2kfj h GLU 53 Cb 0.96 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2kfj h GLU 53 CO 0.50 0.36 0.59 0.22 0.07 0.00 0.00 179.01 180.74 2kfj h ASP 54 N 0.52 0.00 0.00 3.06 1.82 -2.01 -3.44 116.42 116.37 2kfj h ASP 54 Ca 0.14 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2kfj h ASP 54 Cb -0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.97 2kfj h ASP 54 CO -0.03 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.21 2kfj n GLY 55 N -1.53 0.89 3.96 -0.78 0.00 -0.25 -5.08 105.19 102.39 2kfj n GLY 55 Ca 0.10 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2kfj n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfj s ASP 56 N -2.04 5.31 -0.11 1.61 2.15 -1.26 -4.81 116.67 117.52 2kfj s ASP 56 Ca 0.00 -0.64 -0.08 0.00 0.43 0.00 0.00 52.55 52.26 2kfj s ASP 56 Cb 0.00 -0.44 -0.04 0.00 -0.30 0.00 0.00 42.92 42.13 2kfj s ASP 56 CO 0.00 -0.82 0.18 -0.36 -0.17 0.00 0.00 175.17 174.00 2kfj s PHE 57 N -2.46 3.60 -0.00 -5.34 0.40 -1.26 -0.95 117.98 111.97 2kfj s PHE 57 Ca 0.52 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 57.44 2kfj s PHE 57 Cb -0.07 -2.01 -0.00 0.00 0.51 0.00 0.00 43.02 41.45 2kfj s PHE 57 CO 0.31 0.69 -0.01 0.14 0.70 0.00 0.00 175.22 177.05 2kfj s VAL 58 N -0.92 0.11 0.44 -0.44 -7.23 0.82 -4.94 120.40 108.24 2kfj s VAL 58 Ca 0.16 -0.06 -0.25 0.00 -1.81 0.00 0.00 61.98 60.02 2kfj s VAL 58 Cb -0.13 -0.10 -0.08 0.00 0.56 0.00 0.00 36.38 36.63 2kfj s VAL 58 CO 0.05 0.03 1.27 0.54 -0.31 0.00 0.00 175.10 176.68 2kfj s VAL 59 N -0.03 2.69 -0.18 1.32 0.11 -1.26 0.70 120.40 123.75 2kfj s VAL 59 Ca 0.01 0.58 -0.01 0.00 -2.93 0.00 0.00 61.98 59.62 2kfj s VAL 59 Cb -0.01 -3.32 0.05 0.00 -1.53 0.00 0.00 36.38 31.57 2kfj s VAL 59 CO -0.00 0.05 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.59 2kfj s LEU 60 N -2.73 1.56 0.00 2.54 2.96 0.39 -4.79 118.68 118.62 2kfj s LEU 60 Ca 0.61 -0.79 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 2kfj s LEU 60 Cb -0.36 -0.81 0.07 0.00 0.50 0.00 0.00 46.19 45.60 2kfj s LEU 60 CO 0.45 -0.24 0.85 0.61 -1.32 0.00 0.00 176.35 176.69 2kfj n GLY 61 N 4.92 0.76 3.22 7.98 0.00 -1.26 -3.01 105.19 117.79 2kfj n GLY 61 Ca -0.10 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.81 0.00 0.38 1.61 0.01 -1.26 -4.96 113.70 108.68 2kfj s SER 62 Ca 0.06 -0.43 0.10 0.00 1.31 0.00 0.00 55.95 56.99 2kfj s SER 62 Cb 0.06 0.34 0.76 0.00 0.21 0.00 0.00 66.02 67.40 2kfj s SER 62 CO -0.03 -0.66 1.89 -2.24 0.41 0.00 0.00 173.24 172.61 2kfj h ASP 63 N 3.04 0.17 0.39 2.44 2.03 -1.95 0.17 116.42 122.71 2kfj h ASP 63 Ca -0.33 -0.04 -0.15 0.00 -0.73 0.00 0.00 57.03 55.78 2kfj h ASP 63 Cb 1.20 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.64 2kfj h ASP 63 CO 0.51 0.39 -0.65 -0.33 -1.03 0.00 0.00 179.24 178.12 2kfj h GLU 64 N 0.17 0.24 0.00 4.15 5.08 -1.96 1.34 114.58 123.60 2kfj h GLU 64 Ca 0.03 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2kfj h GLU 64 Cb 0.45 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2kfj h GLU 64 CO 0.03 0.80 -0.28 -0.44 -1.00 0.00 0.00 179.01 178.12 2kfj h ASP 65 N 0.17 0.00 0.00 1.42 3.45 -1.74 0.25 116.42 119.97 2kfj h ASP 65 Ca -0.01 -0.08 -0.13 0.00 0.43 0.00 0.00 57.03 57.23 2kfj h ASP 65 Cb 1.17 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.92 2kfj h ASP 65 CO 0.10 0.04 -2.13 1.87 -1.57 0.00 0.00 179.24 177.55 2kfj n TRP 66 N -2.30 0.00 -0.08 4.55 -0.00 0.54 -3.69 117.44 116.45 2kfj n TRP 66 Ca 0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.33 2kfj n TRP 66 Cb 0.45 -0.68 -0.12 0.00 -0.00 0.00 0.00 31.31 30.96 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 0.06 0.02 5.87 -1.24 0.18 -2.86 115.58 117.61 2kfj h ASN 67 Ca -0.20 -0.61 -0.00 0.00 0.71 0.00 0.00 56.30 56.20 2kfj h ASN 67 Cb 1.45 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 40.48 2kfj h ASN 67 CO 0.01 1.48 -0.01 0.58 -1.29 0.00 0.00 177.43 178.21 2kfj h VAL 68 N -0.87 0.53 0.03 2.57 2.07 -0.68 -0.84 116.25 119.06 2kfj h VAL 68 Ca -0.32 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 2kfj h VAL 68 Cb 1.36 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2kfj h VAL 68 CO -0.15 0.01 -0.23 0.00 0.02 0.00 0.00 177.57 177.22 2kfj h ALA 69 N 1.99 -0.01 -0.12 1.67 0.00 -1.68 -3.17 119.26 117.94 2kfj h ALA 69 Ca -0.00 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.43 2kfj h ALA 69 Cb 0.02 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2kfj h ALA 69 CO 0.00 0.09 -0.25 0.87 0.00 0.00 0.00 179.25 179.96 2kfj h LYS 70 N -0.73 -0.32 0.00 0.00 1.57 -1.08 0.51 116.57 116.52 2kfj h LYS 70 Ca -0.04 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2kfj h LYS 70 Cb 1.11 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2kfj h LYS 70 CO 0.04 -0.21 0.28 0.93 -0.57 0.00 0.00 179.45 179.92 2kfj h GLU 71 N -0.33 0.00 0.08 3.15 4.39 -1.31 0.44 114.58 121.00 2kfj h GLU 71 Ca 0.10 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.55 2kfj h GLU 71 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2kfj h GLU 71 CO -0.30 0.00 -1.11 1.98 -1.16 0.00 0.00 179.01 178.41 2kfj h MET 72 N 0.00 0.29 -0.16 2.33 4.05 0.03 -3.30 114.93 118.18 2kfj h MET 72 Ca 0.00 -0.41 0.03 0.00 -0.28 0.00 0.00 59.70 59.04 2kfj h MET 72 Cb 0.56 0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 31.44 2kfj h MET 72 CO 0.00 1.15 -0.52 -0.07 0.23 0.00 0.00 176.91 177.70 2kfj h LEU 73 N 0.12 -1.66 -1.91 3.39 -0.00 0.47 1.32 115.31 117.03 2kfj h LEU 73 Ca -0.10 0.20 0.27 0.00 -0.00 0.00 0.00 57.88 58.24 2kfj h LEU 73 Cb 1.81 0.66 -0.04 0.00 -0.00 0.00 0.00 40.66 43.08 2kfj h LEU 73 CO 0.18 -0.47 0.67 0.00 -0.00 0.00 0.00 178.44 178.82 2kfj h ALA 74 N -0.19 2.79 0.00 1.53 0.00 -1.67 1.33 119.26 123.05 2kfj h ALA 74 Ca 0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2kfj h ALA 74 Cb 0.67 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2kfj h ALA 74 CO -0.45 -1.07 -0.75 0.93 0.00 0.00 0.00 179.25 177.92 2kfj h GLU 75 N 0.06 0.00 -0.36 0.00 5.08 0.19 -3.06 114.58 116.49 2kfj h GLU 75 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2kfj h GLU 75 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2kfj h GLU 75 CO -0.04 0.64 0.00 0.09 -1.00 0.00 0.00 179.01 178.70 2kfj n ASN 76 N -3.24 1.74 -2.52 1.42 3.02 0.44 -4.86 115.26 111.27 2kfj n ASN 76 Ca 0.00 -2.05 -0.01 0.00 -0.03 0.00 0.00 54.58 52.50 2kfj n ASN 76 Cb 0.81 -0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 39.74 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 0.35 -1.12 -4.68 6.41 3.02 -0.34 -4.85 115.26 114.05 2kfj n ASN 77 Ca 0.10 0.47 -0.24 0.00 -0.03 0.00 0.00 54.58 54.88 2kfj n ASN 77 Cb 0.30 -1.10 -0.07 0.00 -0.61 0.00 0.00 39.78 38.30 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 -5.02 2.25 -0.05 3.52 -1.05 -1.11 -5.03 118.70 112.21 2kfj s GLU 78 Ca 0.01 -1.60 0.07 0.00 -0.15 0.00 0.00 54.97 53.29 2kfj s GLU 78 Cb -0.00 -2.08 0.10 0.00 -0.44 0.00 0.00 34.13 31.71 2kfj s GLU 78 CO 0.01 0.16 0.97 1.63 0.95 0.00 0.00 175.26 178.98 2kfj n LYS 79 N -1.04 1.41 -4.33 -4.83 5.02 -1.26 -4.49 118.16 108.63 2kfj n LYS 79 Ca -0.04 -1.63 -0.18 0.00 -2.02 0.00 0.00 58.31 54.44 2kfj n LYS 79 Cb 0.61 -1.01 -0.09 0.00 -0.02 0.00 0.00 35.03 34.52 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 -1.32 1.59 0.00 2.13 -0.12 -1.26 -4.26 117.98 114.73 2kfj s PHE 80 Ca 0.11 -1.35 -0.11 0.00 -0.05 0.00 0.00 56.93 55.53 2kfj s PHE 80 Cb 0.10 -0.86 0.01 0.00 -0.63 0.00 0.00 43.02 41.64 2kfj s PHE 80 CO 0.01 -0.50 0.22 -1.17 -0.05 0.00 0.00 175.22 173.73 2kfj s LEU 81 N -3.37 1.24 0.07 -1.99 1.98 0.20 -4.80 118.68 112.01 2kfj s LEU 81 Ca 0.36 -0.11 0.07 0.00 -2.89 0.00 0.00 54.13 51.55 2kfj s LEU 81 Cb 0.05 0.96 -0.03 0.00 0.66 0.00 0.00 46.19 47.84 2kfj s LEU 81 CO 0.17 -0.43 -0.19 0.54 -1.89 0.00 0.00 176.35 174.55 2kfj s ASN 82 N -1.47 2.22 0.24 3.68 4.22 -1.26 -1.95 114.94 120.61 2kfj s ASN 82 Ca -0.13 -0.60 0.10 0.00 -2.14 0.00 0.00 52.86 50.09 2kfj s ASN 82 Cb -0.06 -0.13 -0.05 0.00 1.28 0.00 0.00 41.25 42.29 2kfj s ASN 82 CO 0.02 0.05 -0.18 -0.63 -2.04 0.00 0.00 177.10 174.32 2kfj s ILE 83 N -1.05 2.15 -0.16 0.54 -1.09 -1.19 -2.74 121.20 117.65 2kfj s ILE 83 Ca 0.04 -2.26 0.00 0.00 -2.23 0.00 0.00 60.65 56.20 2kfj s ILE 83 Cb -0.09 -2.15 0.04 0.00 -1.58 0.00 0.00 42.46 38.67 2kfj s ILE 83 CO 0.03 -0.43 -0.09 -0.60 -1.23 0.00 0.00 174.94 172.62 2kfj s ARG 84 N -3.41 1.78 -0.12 2.79 3.52 0.65 -0.04 118.95 124.13 2kfj s ARG 84 Ca 0.25 -0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 55.28 2kfj s ARG 84 Cb -0.04 -2.06 -0.03 0.00 -1.56 0.00 0.00 34.95 31.27 2kfj s ARG 84 CO 0.11 -0.36 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.65 2kfj s LEU 85 N 1.56 3.09 0.00 -0.88 1.43 0.77 -2.77 118.68 121.87 2kfj s LEU 85 Ca 0.02 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2kfj s LEU 85 Cb -0.15 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2kfj s LEU 85 CO -0.09 0.24 0.03 0.00 0.23 0.00 0.00 176.35 176.77