#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 0.27 -3.76 1.53 4.32 -1.26 -4.59 117.00 113.51 2kfj n LEU 2 Ca 0.00 0.11 -0.42 0.00 -0.02 0.00 0.00 56.01 55.68 2kfj n LEU 2 Cb 0.00 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 2kfj n LEU 2 CO 0.00 -0.03 2.50 0.61 -1.22 0.00 0.00 177.39 179.26 2kfj n GLY 3 N 1.26 4.51 3.44 -0.72 0.00 -1.26 -4.86 105.19 107.57 2kfj n GLY 3 Ca -0.04 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 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 2.59 0.11 0.09 1.61 0.01 -1.26 -4.17 113.70 112.68 2kfj s SER 4 Ca 0.45 -1.15 0.08 0.00 1.31 0.00 0.00 55.95 56.64 2kfj s SER 4 Cb 0.13 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.85 2kfj s SER 4 CO -0.07 -1.05 -0.20 -0.63 0.41 0.00 0.00 173.24 171.70 2kfj s ILE 5 N -3.96 1.65 0.06 1.44 1.01 0.10 -4.90 121.20 116.59 2kfj s ILE 5 Ca 0.29 -1.49 0.02 0.00 0.00 0.00 0.00 60.65 59.47 2kfj s ILE 5 Cb 0.02 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 2kfj s ILE 5 CO 0.11 -0.05 0.10 -0.22 0.00 0.00 0.00 174.94 174.88 2kfj s LEU 6 N -1.82 3.92 -0.42 2.97 0.20 -1.26 0.11 118.68 122.37 2kfj s LEU 6 Ca 0.06 0.07 0.04 0.00 0.69 0.00 0.00 54.13 54.99 2kfj s LEU 6 Cb -0.10 -2.51 0.11 0.00 -0.43 0.00 0.00 46.19 43.26 2kfj s LEU 6 CO 0.04 0.20 0.15 -0.36 -0.29 0.00 0.00 176.35 176.09 2kfj s PHE 7 N -1.36 3.51 -1.21 5.38 0.40 0.25 0.12 117.98 125.07 2kfj s PHE 7 Ca 0.29 -3.06 -0.13 0.00 -0.60 0.00 0.00 56.93 53.43 2kfj s PHE 7 Cb -0.12 -2.90 -0.06 0.00 0.51 0.00 0.00 43.02 40.45 2kfj s PHE 7 CO 0.21 -0.86 2.32 -2.13 0.70 0.00 0.00 175.22 175.46 2kfj n ARG 8 N 3.76 2.58 -0.83 0.44 0.63 0.63 -0.21 116.66 123.66 2kfj n ARG 8 Ca 0.04 -2.05 -0.34 0.00 -0.92 0.00 0.00 57.85 54.59 2kfj n ARG 8 Cb 0.38 -2.87 0.11 0.00 0.45 0.00 0.00 32.46 30.52 2kfj n ARG 8 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2kfj n ILE 9 N 4.69 0.00 -3.64 5.15 5.41 0.32 -2.29 119.36 129.00 2kfj n ILE 9 Ca 0.57 -0.26 -0.04 0.00 1.00 0.00 0.00 62.75 64.02 2kfj n ILE 9 Cb 0.29 -0.42 -0.07 0.00 -0.71 0.00 0.00 39.64 38.73 2kfj n ILE 9 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2kfj s SER 10 N -1.64 -0.53 0.27 4.38 0.15 0.77 -0.01 113.70 117.08 2kfj s SER 10 Ca 0.51 0.88 -0.03 0.00 0.70 0.00 0.00 55.95 58.00 2kfj s SER 10 Cb -0.14 1.17 -0.02 0.00 -1.71 0.00 0.00 66.02 65.32 2kfj s SER 10 CO 0.70 -0.14 0.33 -0.47 1.20 0.00 0.00 173.24 174.86 2kfj s TYR 11 N 1.18 1.00 0.58 3.44 5.04 -0.84 0.17 117.35 127.92 2kfj s TYR 11 Ca -0.07 -1.22 0.42 0.00 -2.44 0.00 0.00 57.07 53.75 2kfj s TYR 11 Cb -0.04 -0.26 1.43 0.00 0.35 0.00 0.00 41.96 43.45 2kfj s TYR 11 CO -0.14 -0.89 1.47 -0.97 -1.34 0.00 0.00 175.55 173.68 2kfj h ASN 12 N 2.33 0.00 0.00 4.32 -1.24 -1.97 -2.54 115.58 116.48 2kfj h ASN 12 Ca -0.30 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2kfj h ASN 12 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2kfj h ASN 12 CO 0.42 0.00 0.00 -0.24 -1.29 0.00 0.00 177.43 176.32 2kfj n SER 13 N -3.68 0.00 -1.68 1.15 2.88 -1.26 -5.07 113.62 105.97 2kfj n SER 13 Ca 0.37 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.86 2kfj n SER 13 Cb 1.84 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 65.29 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 0.25 -3.52 -1.46 1.02 -0.96 -5.15 120.64 110.82 2kfj n GLU 14 Ca 0.00 -0.95 -0.37 0.00 -0.02 0.00 0.00 57.16 55.82 2kfj n GLU 14 Cb 0.00 0.92 -0.07 0.00 -0.02 0.00 0.00 31.44 32.27 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 -2.57 5.27 0.29 -3.67 -1.09 -1.26 -1.99 121.20 116.17 2kfj s ILE 15 Ca 0.10 0.62 0.06 0.00 -2.23 0.00 0.00 60.65 59.20 2kfj s ILE 15 Cb -0.00 -3.66 -0.06 0.00 -1.58 0.00 0.00 42.46 37.16 2kfj s ILE 15 CO 0.07 0.41 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.80 2kfj s PHE 16 N 0.23 1.95 -0.03 3.97 0.08 0.99 -4.96 117.98 120.21 2kfj s PHE 16 Ca 0.19 -0.76 0.02 0.00 0.12 0.00 0.00 56.93 56.49 2kfj s PHE 16 Cb -0.14 -1.15 0.01 0.00 -0.57 0.00 0.00 43.02 41.17 2kfj s PHE 16 CO 0.06 0.22 -0.06 0.95 -0.10 0.00 0.00 175.22 176.29 2kfj s THR 17 N -3.08 0.57 -0.15 0.64 -4.23 -1.25 0.12 115.64 108.26 2kfj s THR 17 Ca 0.31 -0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.59 2kfj s THR 17 Cb 0.05 -0.55 0.05 0.00 1.34 0.00 0.00 72.50 73.39 2kfj s THR 17 CO 0.12 0.20 0.01 -0.22 -0.54 0.00 0.00 174.62 174.20 2kfj s LEU 18 N 0.48 1.08 -0.63 4.79 1.98 0.71 -4.90 118.68 122.18 2kfj s LEU 18 Ca -0.06 -0.58 -0.27 0.00 -2.89 0.00 0.00 54.13 50.33 2kfj s LEU 18 Cb -0.10 -0.61 0.01 0.00 0.66 0.00 0.00 46.19 46.15 2kfj s LEU 18 CO 0.00 -0.25 1.53 -0.22 -1.89 0.00 0.00 176.35 175.52 2kfj s LEU 19 N 1.85 3.29 0.13 -0.68 1.98 -1.26 0.85 118.68 124.83 2kfj s LEU 19 Ca 0.01 0.08 0.02 0.00 -2.89 0.00 0.00 54.13 51.36 2kfj s LEU 19 Cb -0.15 -2.73 -0.04 0.00 0.66 0.00 0.00 46.19 43.93 2kfj s LEU 19 CO -0.07 -1.97 0.24 0.54 -1.89 0.00 0.00 176.35 173.19 2kfj s VAL 20 N 6.98 5.19 0.56 1.68 0.11 0.30 -4.96 120.40 130.26 2kfj s VAL 20 Ca 0.52 -0.68 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 2kfj s VAL 20 Cb -0.11 -3.63 0.03 0.00 -1.53 0.00 0.00 36.38 31.13 2kfj s VAL 20 CO 0.20 -0.03 0.81 -1.61 -3.33 0.00 0.00 175.10 171.14 2kfj s GLU 21 N -3.02 2.67 -0.07 1.54 0.41 -1.26 0.01 118.70 118.98 2kfj s GLU 21 Ca 0.34 -0.49 0.09 0.00 -0.41 0.00 0.00 54.97 54.49 2kfj s GLU 21 Cb -0.11 -2.41 0.37 0.00 -1.78 0.00 0.00 34.13 30.19 2kfj s GLU 21 CO 0.27 -0.70 1.18 1.63 -0.49 0.00 0.00 175.26 177.16 2kfj n LYS 22 N -2.42 2.45 -0.02 1.61 5.02 -1.26 -3.68 118.16 119.86 2kfj n LYS 22 Ca 0.06 -1.44 -0.03 0.00 -2.02 0.00 0.00 58.31 54.88 2kfj n LYS 22 Cb 0.59 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.29 -1.54 -0.18 3.14 -1.26 -4.92 118.33 114.26 2kfj n VAL 23 Ca 0.13 -0.12 -0.30 0.00 -2.96 0.00 0.00 64.34 61.09 2kfj n VAL 23 Cb 0.54 -0.71 -0.07 0.00 -1.06 0.00 0.00 33.84 32.54 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 -2.59 1.17 -0.46 1.45 8.01 -1.24 -4.88 117.44 118.89 2kfj n TRP 24 Ca -0.09 0.11 -0.28 0.00 -1.31 0.00 0.00 57.50 55.93 2kfj n TRP 24 Cb 0.60 -2.48 0.23 0.00 -2.01 0.00 0.00 31.31 27.65 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 15.44 -2.87 0.16 -0.99 6.94 -1.26 -4.13 115.26 128.55 2kfj n ASN 25 Ca 0.45 -0.41 0.19 0.00 -0.02 0.00 0.00 54.58 54.79 2kfj n ASN 25 Cb 0.43 -1.01 0.77 0.00 -2.36 0.00 0.00 39.78 37.61 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 -2.82 0.00 0.00 -2.53 -0.00 -1.90 0.72 116.94 110.40 2kfj h PHE 26 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.50 2kfj h PHE 26 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.18 2kfj h PHE 26 CO -1.53 0.00 0.00 -3.47 -0.00 0.00 0.00 178.31 173.31 2kfj n ASP 27 N -3.52 0.00 0.32 -0.68 -0.08 -1.26 -1.24 116.55 110.09 2kfj n ASP 27 Ca 0.04 0.67 0.19 0.00 -1.51 0.00 0.00 54.79 54.19 2kfj n ASP 27 Cb 0.53 -0.49 1.03 0.00 2.34 0.00 0.00 41.12 44.54 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 0.43 1.67 3.45 -1.76 -1.67 116.42 118.55 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 -0.49 -0.81 1.55 5.85 0.41 -0.61 115.31 121.21 2kfj h LEU 29 Ca 0.01 -0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.90 2kfj h LEU 29 Cb 0.29 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.33 2kfj h LEU 29 CO -0.00 -0.05 0.29 0.40 -0.34 0.00 0.00 178.44 178.74 2kfj h ILE 30 N -1.13 0.53 0.00 4.05 1.08 -0.28 1.11 117.51 122.86 2kfj h ILE 30 Ca -0.06 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 2kfj h ILE 30 Cb 0.47 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.34 2kfj h ILE 30 CO 0.10 0.07 -0.16 0.24 -0.69 0.00 0.00 178.15 177.70 2kfj h MET 31 N 0.36 0.00 0.47 2.37 2.86 -1.40 -0.32 114.93 119.28 2kfj h MET 31 Ca 0.47 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.09 2kfj h MET 31 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2kfj h MET 31 CO -0.50 0.16 -0.23 0.00 1.06 0.00 0.00 176.91 177.40 2kfj h ALA 32 N 1.84 -0.64 -0.33 6.32 0.00 0.29 -1.67 119.26 125.08 2kfj h ALA 32 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2kfj h ALA 32 Cb 0.55 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2kfj h ALA 32 CO 0.02 -0.71 0.05 0.82 0.00 0.00 0.00 179.25 179.43 2kfj h ILE 33 N -0.92 1.24 -0.11 0.00 5.03 -1.26 -1.58 117.51 119.91 2kfj h ILE 33 Ca -0.07 -0.82 0.03 0.00 -0.12 0.00 0.00 64.86 63.89 2kfj h ILE 33 Cb 0.59 1.15 -0.00 0.00 -3.03 0.00 0.00 36.82 35.52 2kfj h ILE 33 CO 0.11 0.27 0.35 0.78 -0.68 0.00 0.00 178.15 178.98 2kfj h ASN 34 N 0.37 0.00 -0.03 1.72 -0.26 -1.06 0.54 115.58 116.86 2kfj h ASN 34 Ca 0.10 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.59 2kfj h ASN 34 Cb 0.35 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.63 2kfj h ASN 34 CO 0.01 0.00 -0.95 -1.28 -1.06 0.00 0.00 177.43 174.15 2kfj h SER 35 N 0.00 0.89 -0.09 5.81 0.87 -0.29 0.29 113.55 121.03 2kfj h SER 35 Ca 0.05 -0.72 -0.04 0.00 -1.23 0.00 0.00 61.79 59.86 2kfj h SER 35 Cb 0.75 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2kfj h SER 35 CO -0.00 1.49 -0.10 0.11 -0.53 0.00 0.00 176.83 177.79 2kfj h LYS 36 N 0.38 0.23 0.00 2.24 6.56 0.10 -2.71 116.57 123.37 2kfj h LYS 36 Ca -0.11 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.36 2kfj h LYS 36 Cb 1.60 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.27 2kfj h LYS 36 CO 0.19 0.66 0.00 0.44 -2.06 0.00 0.00 179.45 178.68 2kfj n ILE 37 N -4.66 0.12 -0.04 1.86 -5.35 -0.11 -3.55 119.36 107.62 2kfj n ILE 37 Ca -0.07 0.03 0.24 0.00 -0.27 0.00 0.00 62.75 62.68 2kfj n ILE 37 Cb 0.33 -0.58 0.59 0.00 -1.74 0.00 0.00 39.64 38.24 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 -1.94 7.28 0.87 -0.08 0.14 113.55 119.82 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 0.27 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 2kfj h SER 38 CO 0.00 0.00 1.40 -1.13 -0.53 0.00 0.00 176.83 176.57 2kfj h ASN 39 N 0.00 0.00 -3.77 6.23 -1.24 -1.76 -2.92 115.58 112.12 2kfj h ASN 39 Ca 0.33 0.00 -0.67 0.00 0.71 0.00 0.00 56.30 56.67 2kfj h ASN 39 Cb 1.98 0.00 -0.38 0.00 0.73 0.00 0.00 38.32 40.65 2kfj h ASN 39 CO -0.00 0.00 -0.61 0.28 -1.29 0.00 0.00 177.43 175.81 2kfj s THR 40 N -4.86 2.83 -0.37 -3.57 -1.32 0.47 -4.95 115.64 103.88 2kfj s THR 40 Ca -0.05 -2.46 -0.01 0.00 -1.21 0.00 0.00 61.69 57.96 2kfj s THR 40 Cb 0.27 -2.98 0.28 0.00 -1.51 0.00 0.00 72.50 68.55 2kfj s THR 40 CO 0.89 -0.69 1.96 1.57 -2.21 0.00 0.00 174.62 176.13 2kfj n HIS 41 N 4.11 1.86 -0.09 9.09 -0.00 -1.10 -3.90 115.22 125.19 2kfj n HIS 41 Ca 0.02 -2.06 -0.10 0.00 0.46 0.00 0.00 57.72 56.05 2kfj n HIS 41 Cb 0.40 -1.00 -0.13 0.00 -0.12 0.00 0.00 29.99 29.14 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 0.03 1.19 0.00 3.57 -5.35 -1.26 -4.96 119.36 112.58 2kfj n ILE 42 Ca 0.36 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2kfj n ILE 42 Cb 0.67 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2kfj n SER 43 N -2.76 0.00 -3.03 7.28 2.88 -1.25 -5.18 113.62 111.56 2kfj n SER 43 Ca -0.31 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 2kfj n SER 43 Cb 1.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.48 2kfj n SER 43 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2kfj n PRO 44 N 0.00 0.66 -3.88 -1.46 -0.04 -1.26 -5.06 135.00 123.95 2kfj n PRO 44 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2kfj n PRO 44 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 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 1.17 -0.96 0.52 -5.25 -1.26 -4.97 121.20 110.23 2kfj s ILE 45 Ca 0.00 -0.84 0.28 0.00 -0.99 0.00 0.00 60.65 59.10 2kfj s ILE 45 Cb 0.00 -1.44 0.21 0.00 2.95 0.00 0.00 42.46 44.18 2kfj s ILE 45 CO 0.00 -0.02 1.82 1.07 -1.79 0.00 0.00 174.94 176.03 2kfj n THR 46 N 4.83 0.08 -4.71 8.37 5.66 -1.26 -4.74 114.28 122.52 2kfj n THR 46 Ca -0.11 -0.04 -0.25 0.00 -3.05 0.00 0.00 64.05 60.60 2kfj n THR 46 Cb 0.46 -0.40 -0.16 0.00 -1.55 0.00 0.00 70.33 68.68 2kfj n THR 46 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2kfj s LYS 47 N -3.02 1.59 0.47 1.09 -2.85 -1.26 -4.87 119.74 110.90 2kfj s LYS 47 Ca 0.13 -0.52 0.03 0.00 -1.00 0.00 0.00 55.97 54.61 2kfj s LYS 47 Cb 0.18 -1.39 -0.03 0.00 -2.06 0.00 0.00 37.83 34.53 2kfj s LYS 47 CO 0.57 0.19 0.02 0.96 0.10 0.00 0.00 175.35 177.18 2kfj s ILE 48 N 0.15 1.32 -0.25 3.79 -4.36 -1.17 -4.95 121.20 115.73 2kfj s ILE 48 Ca -0.05 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.32 2kfj s ILE 48 Cb -0.11 -2.40 0.08 0.00 1.25 0.00 0.00 42.46 41.28 2kfj s ILE 48 CO 0.02 0.00 0.07 -0.75 0.24 0.00 0.00 174.94 174.52 2kfj s LYS 49 N -3.82 0.60 0.01 0.37 2.20 -1.00 -0.09 119.74 118.01 2kfj s LYS 49 Ca 0.15 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 2kfj s LYS 49 Cb 0.04 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 2kfj s LYS 49 CO 0.08 -0.83 0.21 1.52 -0.36 0.00 0.00 175.35 175.97 2kfj s TYR 50 N 1.81 3.54 0.26 4.03 1.13 0.28 0.45 117.35 128.85 2kfj s TYR 50 Ca 0.04 0.37 -0.30 0.00 -1.41 0.00 0.00 57.07 55.78 2kfj s TYR 50 Cb -0.17 -1.84 -0.10 0.00 -1.10 0.00 0.00 41.96 38.75 2kfj s TYR 50 CO -0.19 0.62 1.33 -1.14 -2.51 0.00 0.00 175.55 173.66 2kfj s GLN 51 N -2.06 4.36 0.14 -3.49 0.74 -0.98 -0.76 119.66 117.60 2kfj s GLN 51 Ca 0.29 2.16 0.01 0.00 0.05 0.00 0.00 55.36 57.88 2kfj s GLN 51 Cb -0.13 -3.13 0.02 0.00 1.10 0.00 0.00 33.01 30.88 2kfj s GLN 51 CO 0.20 -0.25 0.19 -3.47 -0.55 0.00 0.00 175.29 171.42 2kfj n ASP 52 N 1.86 0.41 -0.00 6.67 2.03 0.03 -4.88 116.55 122.67 2kfj n ASP 52 Ca 0.04 -1.31 -0.08 0.00 0.52 0.00 0.00 54.79 53.96 2kfj n ASP 52 Cb 0.42 -0.11 0.09 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.55 0.00 -0.67 -0.00 -1.91 -2.22 114.58 110.34 2kfj h GLU 53 Ca -0.06 -0.30 0.00 0.00 -0.00 0.00 0.00 59.36 59.00 2kfj h GLU 53 Cb 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.03 2kfj h GLU 53 CO 0.08 0.89 0.00 0.22 -0.00 0.00 0.00 179.01 180.20 2kfj h ASP 54 N 0.45 0.00 0.00 3.06 -0.00 -2.01 -3.45 116.42 114.47 2kfj h ASP 54 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.06 2kfj h ASP 54 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.28 2kfj h ASP 54 CO 0.08 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.93 2kfj n GLY 55 N -1.00 0.72 3.99 -0.78 0.00 -0.83 -5.05 105.19 102.23 2kfj n GLY 55 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.00 4.03 -0.23 1.61 2.15 -1.26 -4.75 116.67 115.22 2kfj s ASP 56 Ca 0.00 -0.32 -0.10 0.00 0.43 0.00 0.00 52.55 52.56 2kfj s ASP 56 Cb 0.00 0.05 -0.05 0.00 -0.30 0.00 0.00 42.92 42.62 2kfj s ASP 56 CO 0.00 -2.09 0.15 -0.36 -0.17 0.00 0.00 175.17 172.70 2kfj s PHE 57 N -3.30 3.30 0.05 -5.34 0.08 -1.26 -0.79 117.98 110.71 2kfj s PHE 57 Ca 0.69 0.18 0.08 0.00 0.12 0.00 0.00 56.93 57.99 2kfj s PHE 57 Cb -0.04 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2kfj s PHE 57 CO 0.46 0.05 -0.23 0.14 -0.10 0.00 0.00 175.22 175.54 2kfj s VAL 58 N 1.02 1.86 0.31 -0.44 -7.23 0.06 -4.94 120.40 111.04 2kfj s VAL 58 Ca 0.07 -1.30 -0.28 0.00 -1.81 0.00 0.00 61.98 58.65 2kfj s VAL 58 Cb -0.13 -1.61 -0.09 0.00 0.56 0.00 0.00 36.38 35.10 2kfj s VAL 58 CO 0.04 0.25 1.10 0.54 -0.31 0.00 0.00 175.10 176.72 2kfj s VAL 59 N -0.83 3.50 -0.21 1.32 0.11 -1.26 1.00 120.40 124.03 2kfj s VAL 59 Ca 0.09 1.43 -0.01 0.00 -2.93 0.00 0.00 61.98 60.56 2kfj s VAL 59 Cb -0.09 -3.88 0.06 0.00 -1.53 0.00 0.00 36.38 30.94 2kfj s VAL 59 CO 0.02 0.28 -0.00 -0.22 -3.33 0.00 0.00 175.10 171.85 2kfj s LEU 60 N -1.72 1.81 0.00 2.54 2.96 0.87 -4.80 118.68 120.35 2kfj s LEU 60 Ca 0.47 -1.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.43 2kfj s LEU 60 Cb -0.30 -0.85 0.08 0.00 0.50 0.00 0.00 46.19 45.61 2kfj s LEU 60 CO 0.39 -0.28 0.88 0.61 -1.32 0.00 0.00 176.35 176.63 2kfj n GLY 61 N 4.88 0.73 3.51 7.98 0.00 -1.26 -3.07 105.19 117.96 2kfj n GLY 61 Ca -0.10 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.88 0.35 0.32 1.61 1.04 -1.26 -5.00 113.70 109.87 2kfj s SER 62 Ca 0.06 -1.22 0.13 0.00 0.48 0.00 0.00 55.95 55.40 2kfj s SER 62 Cb 0.07 0.60 0.51 0.00 0.10 0.00 0.00 66.02 67.30 2kfj s SER 62 CO -0.03 -1.18 1.68 -2.24 0.98 0.00 0.00 173.24 172.45 2kfj h ASP 63 N 2.24 0.00 -0.40 7.02 2.03 -1.95 0.72 116.42 126.07 2kfj h ASP 63 Ca -0.28 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.90 2kfj h ASP 63 Cb 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 2kfj h ASP 63 CO 0.39 0.51 -0.20 -0.08 -1.03 0.00 0.00 179.24 178.84 2kfj h GLU 64 N 0.00 0.90 0.00 4.15 4.81 -1.97 1.45 114.58 123.92 2kfj h GLU 64 Ca -0.01 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2kfj h GLU 64 Cb 0.97 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2kfj h GLU 64 CO 0.07 1.01 -0.44 -0.44 -0.73 0.00 0.00 179.01 178.48 2kfj h ASP 65 N 0.78 0.00 0.52 1.04 3.32 -1.86 0.23 116.42 120.45 2kfj h ASP 65 Ca 0.11 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 2kfj h ASP 65 Cb 0.74 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2kfj h ASP 65 CO 0.06 0.07 -1.56 1.87 -1.72 0.00 0.00 179.24 177.96 2kfj n TRP 66 N -2.18 0.61 -0.12 4.55 -0.00 0.23 -3.18 117.44 117.35 2kfj n TRP 66 Ca 0.04 0.19 -0.25 0.00 -0.00 0.00 0.00 57.50 57.48 2kfj n TRP 66 Cb 0.44 -0.88 -0.11 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 -2.64 1.90 0.31 5.87 3.02 0.49 -3.75 115.26 120.46 2kfj n ASN 67 Ca -0.08 0.39 0.18 0.00 -0.03 0.00 0.00 54.58 55.05 2kfj n ASN 67 Cb 0.71 -0.91 1.01 0.00 -0.61 0.00 0.00 39.78 39.99 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 0.25 0.00 2.41 2.07 -0.70 0.15 116.25 119.43 2kfj h VAL 68 Ca -0.49 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 66.74 2kfj h VAL 68 Cb 1.43 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2kfj h VAL 68 CO -0.30 0.02 -0.75 0.00 0.02 0.00 0.00 177.57 176.56 2kfj h ALA 69 N 1.98 0.76 0.25 1.67 0.00 -1.70 -2.84 119.26 119.38 2kfj h ALA 69 Ca -0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2kfj h ALA 69 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kfj h ALA 69 CO 0.00 0.94 -0.12 0.87 0.00 0.00 0.00 179.25 180.94 2kfj h LYS 70 N 0.00 -0.33 -0.04 0.00 1.57 -0.81 -3.04 116.57 113.92 2kfj h LYS 70 Ca -0.01 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2kfj h LYS 70 Cb 1.33 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 2kfj h LYS 70 CO 0.10 -0.02 0.38 1.05 -0.57 0.00 0.00 179.45 180.39 2kfj h GLU 71 N -0.98 0.00 -0.01 3.15 4.11 -1.46 0.67 114.58 120.06 2kfj h GLU 71 Ca -0.03 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.20 2kfj h GLU 71 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2kfj h GLU 71 CO 0.06 0.00 -0.84 1.98 0.07 0.00 0.00 179.01 180.28 2kfj h MET 72 N 0.00 0.24 0.57 1.06 4.05 -1.39 -3.16 114.93 116.30 2kfj h MET 72 Ca 0.02 -0.24 -0.02 0.00 -0.28 0.00 0.00 59.70 59.18 2kfj h MET 72 Cb 0.78 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 2kfj h MET 72 CO -0.00 0.95 -0.49 -0.07 0.23 0.00 0.00 176.91 177.53 2kfj h LEU 73 N 0.14 -1.31 -2.03 3.39 -0.00 0.45 0.92 115.31 116.87 2kfj h LEU 73 Ca -0.04 0.10 0.02 0.00 -0.00 0.00 0.00 57.88 57.95 2kfj h LEU 73 Cb 1.44 0.42 -0.00 0.00 -0.00 0.00 0.00 40.66 42.52 2kfj h LEU 73 CO 0.13 -0.67 0.34 0.00 -0.00 0.00 0.00 178.44 178.23 2kfj h ALA 74 N -1.01 1.44 0.00 1.53 0.00 -1.64 1.15 119.26 120.73 2kfj h ALA 74 Ca -0.07 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 2kfj h ALA 74 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2kfj h ALA 74 CO -0.02 -0.37 -1.32 0.93 0.00 0.00 0.00 179.25 178.48 2kfj h GLU 75 N 0.00 0.00 -0.37 0.00 5.08 -0.79 -3.27 114.58 115.24 2kfj h GLU 75 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2kfj h GLU 75 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2kfj h GLU 75 CO -0.00 0.39 0.00 0.09 -1.00 0.00 0.00 179.01 178.49 2kfj n ASN 76 N -2.99 2.51 -3.35 1.42 5.03 0.37 -4.90 115.26 113.36 2kfj n ASN 76 Ca -0.09 -1.91 -0.18 0.00 0.87 0.00 0.00 54.58 53.27 2kfj n ASN 76 Cb 0.87 -0.24 -0.03 0.00 -1.02 0.00 0.00 39.78 39.36 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 0.87 -1.45 -4.83 6.41 3.02 0.30 -4.87 115.26 114.71 2kfj n ASN 77 Ca 0.17 -0.23 -0.22 0.00 -0.03 0.00 0.00 54.58 54.27 2kfj n ASN 77 Cb 0.43 -1.33 -0.04 0.00 -0.61 0.00 0.00 39.78 38.23 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 -5.93 2.45 -0.09 3.52 -1.05 -1.17 -5.04 118.70 111.40 2kfj s GLU 78 Ca 0.35 -1.61 0.13 0.00 -0.15 0.00 0.00 54.97 53.69 2kfj s GLU 78 Cb -0.20 -2.27 0.19 0.00 -0.44 0.00 0.00 34.13 31.41 2kfj s GLU 78 CO 0.43 -0.15 1.09 1.63 0.95 0.00 0.00 175.26 179.20 2kfj n LYS 79 N -1.45 1.42 -3.83 -4.83 4.76 -1.26 -4.70 118.16 108.28 2kfj n LYS 79 Ca 0.02 -2.14 -0.09 0.00 -2.87 0.00 0.00 58.31 53.23 2kfj n LYS 79 Cb 0.62 -1.27 -0.04 0.00 -1.84 0.00 0.00 35.03 32.51 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 -2.12 -0.02 0.31 2.13 -0.12 -1.26 -4.38 117.98 112.51 2kfj s PHE 80 Ca 0.21 -0.35 0.04 0.00 -0.05 0.00 0.00 56.93 56.79 2kfj s PHE 80 Cb 0.19 0.42 -0.06 0.00 -0.63 0.00 0.00 43.02 42.93 2kfj s PHE 80 CO 0.02 -1.01 0.03 -1.17 -0.05 0.00 0.00 175.22 173.04 2kfj s LEU 81 N -2.92 2.25 -0.00 -1.99 0.20 0.34 -4.81 118.68 111.75 2kfj s LEU 81 Ca 0.13 -1.33 0.03 0.00 0.69 0.00 0.00 54.13 53.65 2kfj s LEU 81 Cb -0.02 -0.43 -0.01 0.00 -0.43 0.00 0.00 46.19 45.30 2kfj s LEU 81 CO 0.02 -0.55 -0.11 0.21 -0.29 0.00 0.00 176.35 175.63 2kfj s ASN 82 N -3.47 1.27 0.04 3.68 2.47 -1.26 -0.27 114.94 117.40 2kfj s ASN 82 Ca 0.35 -0.21 0.05 0.00 0.42 0.00 0.00 52.86 53.46 2kfj s ASN 82 Cb 0.08 -0.14 -0.02 0.00 -1.45 0.00 0.00 41.25 39.72 2kfj s ASN 82 CO 0.14 0.12 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.87 2kfj s ILE 83 N -0.30 1.13 0.19 -5.21 -1.09 -0.97 -2.33 121.20 112.62 2kfj s ILE 83 Ca 0.04 -0.97 0.10 0.00 -2.23 0.00 0.00 60.65 57.59 2kfj s ILE 83 Cb -0.04 -1.01 -0.04 0.00 -1.58 0.00 0.00 42.46 39.78 2kfj s ILE 83 CO -0.00 0.03 -0.22 -0.60 -1.23 0.00 0.00 174.94 172.93 2kfj s ARG 84 N -1.07 1.43 -0.01 2.79 3.52 0.17 -0.16 118.95 125.61 2kfj s ARG 84 Ca 0.02 -1.49 0.01 0.00 -0.13 0.00 0.00 55.73 54.14 2kfj s ARG 84 Cb -0.08 -1.64 0.01 0.00 -1.56 0.00 0.00 34.95 31.68 2kfj s ARG 84 CO 0.01 0.35 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.30 2kfj s LEU 85 N -2.70 1.74 0.00 -0.88 2.01 0.45 -2.38 118.68 116.93 2kfj s LEU 85 Ca 0.19 -0.07 0.23 0.00 0.01 0.00 0.00 54.13 54.49 2kfj s LEU 85 Cb -0.07 -0.24 0.18 0.00 0.01 0.00 0.00 46.19 46.07 2kfj s LEU 85 CO 0.09 0.00 1.22 0.00 1.01 0.00 0.00 176.35 178.67