#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 3.86 0.11 1.53 0.05 -1.26 -4.87 118.68 118.10 2kfj s LEU 2 Ca 0.00 1.93 0.00 0.00 0.05 0.00 0.00 54.13 56.11 2kfj s LEU 2 Cb 0.00 -4.55 0.00 0.00 -2.05 0.00 0.00 46.19 39.59 2kfj s LEU 2 CO 0.00 -0.76 0.00 0.61 -0.55 0.00 0.00 176.35 175.65 2kfj n GLY 3 N -0.24 -1.86 3.24 -3.48 0.00 -1.26 -5.16 105.19 96.43 2kfj n GLY 3 Ca 0.09 0.51 -0.14 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.33 0.84 0.04 1.61 1.04 -1.26 -4.23 113.70 110.41 2kfj s SER 4 Ca 0.00 -1.29 0.03 0.00 0.48 0.00 0.00 55.95 55.17 2kfj s SER 4 Cb 0.00 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 2kfj s SER 4 CO 0.00 -0.71 -0.10 -0.63 0.98 0.00 0.00 173.24 172.78 2kfj s ILE 5 N -3.86 0.78 0.04 -1.02 1.01 -1.01 -4.86 121.20 112.29 2kfj s ILE 5 Ca 0.32 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.96 2kfj s ILE 5 Cb 0.07 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 2kfj s ILE 5 CO 0.08 -0.22 -0.03 -0.22 0.00 0.00 0.00 174.94 174.56 2kfj s LEU 6 N -1.40 3.36 -0.16 2.97 1.98 -0.88 -0.89 118.68 123.67 2kfj s LEU 6 Ca -0.05 -0.14 0.02 0.00 -2.89 0.00 0.00 54.13 51.07 2kfj s LEU 6 Cb -0.09 -2.01 0.01 0.00 0.66 0.00 0.00 46.19 44.77 2kfj s LEU 6 CO 0.01 0.23 -0.21 -0.36 -1.89 0.00 0.00 176.35 174.14 2kfj s PHE 7 N -1.16 2.67 -0.99 5.38 0.40 0.13 0.15 117.98 124.57 2kfj s PHE 7 Ca 0.21 -1.45 -0.12 0.00 -0.60 0.00 0.00 56.93 54.98 2kfj s PHE 7 Cb -0.11 -1.83 0.24 0.00 0.51 0.00 0.00 43.02 41.83 2kfj s PHE 7 CO 0.13 -0.69 0.97 0.50 0.70 0.00 0.00 175.22 176.83 2kfj s ARG 8 N 1.04 3.92 -0.22 0.44 3.52 0.41 -0.41 118.95 127.65 2kfj s ARG 8 Ca -0.02 -2.82 -0.29 0.00 -0.13 0.00 0.00 55.73 52.48 2kfj s ARG 8 Cb -0.14 -4.53 -0.06 0.00 -1.56 0.00 0.00 34.95 28.65 2kfj s ARG 8 CO -0.07 -1.30 2.20 -0.89 -0.81 0.00 0.00 175.30 174.43 2kfj n ILE 9 N 3.43 0.35 -3.63 4.11 -0.00 0.15 -2.46 119.36 121.31 2kfj n ILE 9 Ca 0.20 -0.41 -0.40 0.00 -0.00 0.00 0.00 62.75 62.14 2kfj n ILE 9 Cb 0.43 -2.41 -0.11 0.00 -0.00 0.00 0.00 39.64 37.56 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 7.92 5.61 0.10 4.38 0.01 0.79 -1.67 113.70 130.84 2kfj s SER 10 Ca 1.01 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2kfj s SER 10 Cb -0.42 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2kfj s SER 10 CO 0.38 -0.46 0.00 -1.22 0.41 0.00 0.00 173.24 172.35 2kfj n TYR 11 N 4.92 -1.73 0.01 2.43 4.01 0.65 -0.03 117.16 127.43 2kfj n TYR 11 Ca -0.11 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.52 2kfj n TYR 11 Cb 0.44 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.41 2kfj n TYR 11 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 2kfj h ASN 12 N 0.00 0.01 0.00 7.72 -1.24 -1.98 -3.36 115.58 116.73 2kfj h ASN 12 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2kfj h ASN 12 Cb 0.00 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.06 2kfj h ASN 12 CO 0.00 0.02 -0.33 -0.24 -1.29 0.00 0.00 177.43 175.59 2kfj n SER 13 N -5.08 0.00 -4.41 1.15 2.88 -1.26 -5.10 113.62 101.81 2kfj n SER 13 Ca -0.06 -1.66 -0.29 0.00 -1.33 0.00 0.00 58.87 55.54 2kfj n SER 13 Cb 0.05 -0.13 -0.13 0.00 -0.75 0.00 0.00 64.21 63.25 2kfj n SER 13 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kfj s GLU 14 N 0.00 1.46 -0.03 -1.46 0.41 -1.26 -5.13 118.70 112.69 2kfj s GLU 14 Ca 0.00 -1.33 -0.01 0.00 -0.41 0.00 0.00 54.97 53.22 2kfj s GLU 14 Cb 0.00 -1.93 0.03 0.00 -1.78 0.00 0.00 34.13 30.45 2kfj s GLU 14 CO 0.00 0.45 0.06 0.42 -0.49 0.00 0.00 175.26 175.70 2kfj s ILE 15 N -1.08 -0.05 0.04 -1.63 -1.09 -1.26 -0.25 121.20 115.88 2kfj s ILE 15 Ca 0.15 0.17 -0.10 0.00 -2.23 0.00 0.00 60.65 58.63 2kfj s ILE 15 Cb -0.10 -0.11 0.01 0.00 -1.58 0.00 0.00 42.46 40.68 2kfj s ILE 15 CO 0.07 0.07 0.22 0.12 -1.23 0.00 0.00 174.94 174.18 2kfj s PHE 16 N 0.89 0.02 -0.08 3.97 5.36 -0.67 -5.00 117.98 122.46 2kfj s PHE 16 Ca -0.07 -0.22 0.03 0.00 -0.96 0.00 0.00 56.93 55.72 2kfj s PHE 16 Cb -0.10 -0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.56 2kfj s PHE 16 CO -0.03 -0.44 -0.19 0.95 -1.46 0.00 0.00 175.22 174.05 2kfj s THR 17 N -2.53 2.60 -0.05 0.12 -4.23 -1.26 0.35 115.64 110.64 2kfj s THR 17 Ca -0.05 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2kfj s THR 17 Cb -0.01 -2.02 0.02 0.00 1.34 0.00 0.00 72.50 71.83 2kfj s THR 17 CO -0.04 0.56 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.35 2kfj s LEU 18 N -0.07 1.21 -0.41 4.79 0.20 0.45 -4.96 118.68 119.89 2kfj s LEU 18 Ca -0.04 -0.13 -0.25 0.00 0.69 0.00 0.00 54.13 54.40 2kfj s LEU 18 Cb -0.14 -0.46 0.02 0.00 -0.43 0.00 0.00 46.19 45.18 2kfj s LEU 18 CO 0.04 -0.08 0.89 -0.22 -0.29 0.00 0.00 176.35 176.69 2kfj s LEU 19 N 1.10 4.05 -0.20 -0.68 1.98 -1.26 0.18 118.68 123.85 2kfj s LEU 19 Ca -0.08 0.29 -0.03 0.00 -2.89 0.00 0.00 54.13 51.42 2kfj s LEU 19 Cb -0.14 -3.16 -0.01 0.00 0.66 0.00 0.00 46.19 43.54 2kfj s LEU 19 CO -0.01 -0.92 -0.08 0.54 -1.89 0.00 0.00 176.35 173.99 2kfj s VAL 20 N 3.50 3.16 1.07 1.68 0.11 -0.06 -4.99 120.40 124.87 2kfj s VAL 20 Ca 0.36 -0.57 -0.12 0.00 -2.93 0.00 0.00 61.98 58.71 2kfj s VAL 20 Cb -0.11 -2.41 0.23 0.00 -1.53 0.00 0.00 36.38 32.56 2kfj s VAL 20 CO 0.22 0.46 1.06 -1.61 -3.33 0.00 0.00 175.10 171.90 2kfj s GLU 21 N 1.22 -0.13 -0.13 1.54 0.41 -1.26 -2.40 118.70 117.94 2kfj s GLU 21 Ca 0.02 0.88 0.10 0.00 -0.41 0.00 0.00 54.97 55.56 2kfj s GLU 21 Cb -0.14 -1.64 0.53 0.00 -1.78 0.00 0.00 34.13 31.09 2kfj s GLU 21 CO -0.03 -3.21 1.33 1.63 -0.49 0.00 0.00 175.26 174.50 2kfj n LYS 22 N -4.56 3.38 0.00 1.61 5.02 -1.26 -3.43 118.16 118.92 2kfj n LYS 22 Ca 0.05 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.31 2kfj n LYS 22 Cb 0.55 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.49 0.14 -3.08 -0.18 3.14 -1.26 -4.93 118.33 112.65 2kfj n VAL 23 Ca 0.18 -0.46 -0.45 0.00 -2.96 0.00 0.00 64.34 60.65 2kfj n VAL 23 Cb 0.81 1.11 -0.03 0.00 -1.06 0.00 0.00 33.84 34.66 2kfj n VAL 23 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 2kfj s TRP 24 N -0.14 3.17 0.92 1.45 0.52 -1.22 -5.03 118.94 118.61 2kfj s TRP 24 Ca 0.00 -1.28 -0.12 0.00 0.02 0.00 0.00 56.10 54.72 2kfj s TRP 24 Cb 0.00 -4.08 0.19 0.00 -1.15 0.00 0.00 33.47 28.42 2kfj s TRP 24 CO 0.00 -1.32 0.42 0.27 0.02 0.00 0.00 176.95 176.34 2kfj n ASN 25 N 6.03 -2.97 0.17 2.95 2.04 -1.26 -4.01 115.26 118.20 2kfj n ASN 25 Ca 0.06 -0.43 0.15 0.00 -0.44 0.00 0.00 54.58 53.92 2kfj n ASN 25 Cb 0.46 -0.69 0.73 0.00 -2.53 0.00 0.00 39.78 37.74 2kfj n ASN 25 CO 0.00 0.00 0.00 2.19 -0.44 0.00 0.00 177.26 179.01 2kfj h PHE 26 N -2.76 0.00 0.00 -2.53 -0.00 -1.92 0.27 116.94 110.01 2kfj h PHE 26 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.78 2kfj h PHE 26 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.60 2kfj h PHE 26 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 178.31 174.84 2kfj n ASP 27 N -4.24 0.00 -0.21 -0.68 2.03 -1.26 -0.56 116.55 111.63 2kfj n ASP 27 Ca 0.02 0.70 0.24 0.00 0.52 0.00 0.00 54.79 56.28 2kfj n ASP 27 Cb 0.31 -0.36 0.62 0.00 -0.72 0.00 0.00 41.12 40.98 2kfj n ASP 27 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kfj h ASP 28 N 0.00 0.20 0.81 1.67 3.32 -1.81 0.12 116.42 120.73 2kfj h ASP 28 Ca 0.00 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2kfj h ASP 28 Cb 0.00 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.55 2kfj h ASP 28 CO 0.00 0.07 -0.39 0.25 -1.72 0.00 0.00 179.24 177.45 2kfj h LEU 29 N 0.19 -0.92 -1.57 1.55 5.85 -0.42 1.28 115.31 121.27 2kfj h LEU 29 Ca 0.45 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.34 2kfj h LEU 29 Cb 1.45 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.67 2kfj h LEU 29 CO -0.10 -0.65 0.49 0.40 -0.34 0.00 0.00 178.44 178.25 2kfj h ILE 30 N -1.12 0.82 0.00 4.05 1.08 0.52 0.46 117.51 123.32 2kfj h ILE 30 Ca -0.11 -0.15 -0.08 0.00 -0.39 0.00 0.00 64.86 64.12 2kfj h ILE 30 Cb 0.84 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2kfj h ILE 30 CO 0.18 0.08 -0.40 0.24 -0.69 0.00 0.00 178.15 177.56 2kfj h MET 31 N 0.44 0.00 -0.08 2.37 2.86 -0.39 -0.24 114.93 119.89 2kfj h MET 31 Ca 0.36 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.97 2kfj h MET 31 Cb 0.78 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 2kfj h MET 31 CO -0.12 0.40 -0.04 0.00 1.06 0.00 0.00 176.91 178.21 2kfj h ALA 32 N 1.60 0.11 -0.15 6.32 0.00 0.64 -0.36 119.26 127.42 2kfj h ALA 32 Ca -0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 2kfj h ALA 32 Cb 1.11 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2kfj h ALA 32 CO 0.05 -0.12 -0.74 0.82 0.00 0.00 0.00 179.25 179.26 2kfj h ILE 33 N -0.21 1.30 0.00 0.00 5.03 -1.34 -2.23 117.51 120.06 2kfj h ILE 33 Ca 0.02 -1.98 0.00 0.00 -0.12 0.00 0.00 64.86 62.77 2kfj h ILE 33 Cb 0.50 1.97 0.00 0.00 -3.03 0.00 0.00 36.82 36.26 2kfj h ILE 33 CO 0.01 0.62 0.00 0.78 -0.68 0.00 0.00 178.15 178.89 2kfj h ASN 34 N 0.49 0.00 0.04 1.72 -0.26 -1.01 0.14 115.58 116.70 2kfj h ASN 34 Ca -0.04 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.50 2kfj h ASN 34 Cb 1.35 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.60 2kfj h ASN 34 CO 0.15 0.00 -1.05 0.28 -1.06 0.00 0.00 177.43 175.75 2kfj h SER 35 N 0.00 0.14 -0.19 5.81 0.02 -0.67 -2.61 113.55 116.05 2kfj h SER 35 Ca 0.00 -0.75 -0.02 0.00 -0.84 0.00 0.00 61.79 60.18 2kfj h SER 35 Cb 0.24 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2kfj h SER 35 CO 0.00 1.44 0.02 0.11 -1.14 0.00 0.00 176.83 177.26 2kfj h LYS 36 N -0.73 0.32 0.00 3.45 6.56 -0.99 -1.75 116.57 123.42 2kfj h LYS 36 Ca -0.26 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 2kfj h LYS 36 Cb 1.41 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.04 2kfj h LYS 36 CO -0.06 0.49 0.00 0.44 -2.06 0.00 0.00 179.45 178.26 2kfj n ILE 37 N -4.74 0.74 0.26 1.86 -5.35 0.47 -2.72 119.36 109.87 2kfj n ILE 37 Ca -0.04 0.19 0.15 0.00 -0.27 0.00 0.00 62.75 62.77 2kfj n ILE 37 Cb 0.20 -0.87 0.79 0.00 -1.74 0.00 0.00 39.64 38.02 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 -0.99 7.28 0.87 -0.90 -2.50 113.55 117.30 2kfj h SER 38 Ca 0.00 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.79 2kfj h SER 38 Cb 0.31 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.08 2kfj h SER 38 CO 0.00 0.00 -0.13 -1.13 -0.53 0.00 0.00 176.83 175.04 2kfj h ASN 39 N 0.00 -0.74 -0.36 6.23 -1.24 -1.66 1.19 115.58 119.00 2kfj h ASN 39 Ca 0.00 0.29 -0.16 0.00 0.71 0.00 0.00 56.30 57.14 2kfj h ASN 39 Cb 0.27 0.56 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 2kfj h ASN 39 CO 0.00 -0.34 -0.38 0.00 -1.29 0.00 0.00 177.43 175.42 2kfj h THR 40 N 0.00 1.28 -6.47 -3.57 1.03 -1.76 -3.46 112.91 99.96 2kfj h THR 40 Ca 0.53 -1.56 -0.50 0.00 -0.01 0.00 0.00 66.41 64.87 2kfj h THR 40 Cb 0.94 1.44 -0.19 0.00 -1.07 0.00 0.00 68.15 69.27 2kfj h THR 40 CO -0.98 0.52 -0.76 0.00 -0.01 0.00 0.00 175.52 174.29 2kfj n HIS 41 N -4.09 -1.74 -0.00 0.00 1.44 0.41 -4.76 115.22 106.47 2kfj n HIS 41 Ca -0.03 0.71 -0.01 0.00 -2.01 0.00 0.00 57.72 56.39 2kfj n HIS 41 Cb 0.54 -2.84 -0.00 0.00 0.12 0.00 0.00 29.99 27.80 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 -4.23 0.05 -3.09 0.61 -6.64 -1.26 -5.02 119.36 99.78 2kfj n ILE 42 Ca 0.06 -0.02 0.04 0.00 -1.77 0.00 0.00 62.75 61.07 2kfj n ILE 42 Cb 0.50 -0.60 0.00 0.00 -1.44 0.00 0.00 39.64 38.09 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 2kfj s SER 43 N -4.16 -0.79 0.22 7.28 1.04 -1.26 -5.17 113.70 110.86 2kfj s SER 43 Ca -0.01 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2kfj s SER 43 Cb 0.00 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.49 2kfj s SER 43 CO 0.02 -0.13 0.00 -0.81 0.98 0.00 0.00 173.24 173.30 2kfj n PRO 44 N 4.88 0.66 -4.27 4.02 -0.04 -1.26 -5.09 135.00 133.90 2kfj n PRO 44 Ca 0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 2kfj n PRO 44 Cb 0.58 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.92 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 1.59 0.00 0.52 -5.25 -1.26 -5.02 121.20 111.55 2kfj s ILE 45 Ca 0.00 -1.59 0.00 0.00 -0.99 0.00 0.00 60.65 58.07 2kfj s ILE 45 Cb 0.00 -1.53 0.00 0.00 2.95 0.00 0.00 42.46 43.88 2kfj s ILE 45 CO 0.00 -0.17 0.42 0.35 -1.79 0.00 0.00 174.94 173.75 2kfj n THR 46 N 0.91 0.00 -4.10 8.37 -2.24 -1.26 -4.86 114.28 111.10 2kfj n THR 46 Ca -0.18 -0.49 -0.22 0.00 -2.27 0.00 0.00 64.05 60.88 2kfj n THR 46 Cb 0.55 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.14 1.02 -0.08 -0.78 1.02 -1.26 -4.91 119.74 114.61 2kfj s LYS 47 Ca 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 55.97 55.89 2kfj s LYS 47 Cb 0.00 -1.07 0.01 0.00 -0.52 0.00 0.00 37.83 36.25 2kfj s LYS 47 CO 0.00 -0.14 -0.16 0.96 -0.92 0.00 0.00 175.35 175.09 2kfj s ILE 48 N 1.23 1.43 -0.40 2.17 -4.36 -1.16 -4.85 121.20 115.26 2kfj s ILE 48 Ca -0.06 -0.65 -0.12 0.00 -0.26 0.00 0.00 60.65 59.57 2kfj s ILE 48 Cb -0.14 -1.28 0.04 0.00 1.25 0.00 0.00 42.46 42.33 2kfj s ILE 48 CO -0.02 0.42 0.26 -0.75 0.24 0.00 0.00 174.94 175.09 2kfj s LYS 49 N 0.63 2.84 0.07 0.37 2.20 -1.18 0.25 119.74 124.92 2kfj s LYS 49 Ca -0.15 -1.15 -0.02 0.00 -0.36 0.00 0.00 55.97 54.30 2kfj s LYS 49 Cb -0.16 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 2kfj s LYS 49 CO 0.04 -0.78 0.25 1.52 -0.36 0.00 0.00 175.35 176.02 2kfj s TYR 50 N 1.57 3.52 0.67 4.03 1.13 0.05 0.51 117.35 128.82 2kfj s TYR 50 Ca 0.03 0.35 -0.11 0.00 -1.41 0.00 0.00 57.07 55.92 2kfj s TYR 50 Cb -0.20 -1.84 -0.01 0.00 -1.10 0.00 0.00 41.96 38.82 2kfj s TYR 50 CO 0.07 0.56 1.05 -1.14 -2.51 0.00 0.00 175.55 173.58 2kfj s GLN 51 N -2.44 3.13 0.43 -3.49 0.74 -0.74 -0.55 119.66 116.74 2kfj s GLN 51 Ca 0.35 0.93 0.05 0.00 0.05 0.00 0.00 55.36 56.74 2kfj s GLN 51 Cb -0.13 -2.02 -0.05 0.00 1.10 0.00 0.00 33.01 31.91 2kfj s GLN 51 CO 0.26 -0.95 0.02 -0.51 -0.55 0.00 0.00 175.29 173.56 2kfj s ASP 52 N -3.79 3.66 0.13 6.67 1.01 -0.93 -4.84 116.67 118.59 2kfj s ASP 52 Ca 0.58 -1.48 -0.19 0.00 0.71 0.00 0.00 52.55 52.16 2kfj s ASP 52 Cb -0.13 -0.01 -0.02 0.00 1.01 0.00 0.00 42.92 43.77 2kfj s ASP 52 CO 0.53 -0.63 1.72 1.05 0.21 0.00 0.00 175.17 178.05 2kfj h GLU 53 N 1.69 0.06 -0.12 8.23 -0.00 -1.93 0.17 114.58 122.68 2kfj h GLU 53 Ca -0.43 -0.00 0.04 0.00 -0.00 0.00 0.00 59.36 58.96 2kfj h GLU 53 Cb 1.27 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 30.00 2kfj h GLU 53 CO 0.76 0.04 0.39 0.22 -0.00 0.00 0.00 179.01 180.42 2kfj h ASP 54 N 0.06 0.00 0.00 3.06 1.82 -2.02 -3.44 116.42 115.91 2kfj h ASP 54 Ca 0.10 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 2kfj h ASP 54 Cb 0.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2kfj h ASP 54 CO -0.18 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.06 2kfj n GLY 55 N -1.31 0.82 3.78 -0.78 0.00 0.59 -5.06 105.19 103.24 2kfj n GLY 55 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.17 6.18 0.38 1.61 1.11 -1.26 -4.75 116.67 117.77 2kfj s ASP 56 Ca 0.00 0.32 -0.26 0.00 0.18 0.00 0.00 52.55 52.78 2kfj s ASP 56 Cb 0.00 -2.03 -0.09 0.00 1.07 0.00 0.00 42.92 41.87 2kfj s ASP 56 CO 0.00 0.29 1.23 0.72 1.18 0.00 0.00 175.17 178.59 2kfj s PHE 57 N -0.33 3.04 0.01 4.23 -0.12 -1.26 -2.18 117.98 121.37 2kfj s PHE 57 Ca 0.11 1.50 0.00 0.00 -0.05 0.00 0.00 56.93 58.49 2kfj s PHE 57 Cb -0.12 -3.52 -0.01 0.00 -0.63 0.00 0.00 43.02 38.75 2kfj s PHE 57 CO 0.01 -1.57 -0.01 0.14 -0.05 0.00 0.00 175.22 173.74 2kfj s VAL 58 N -1.29 0.07 0.63 -2.49 -7.23 0.28 -4.94 120.40 105.43 2kfj s VAL 58 Ca 0.54 -0.26 -0.18 0.00 -1.81 0.00 0.00 61.98 60.27 2kfj s VAL 58 Cb -0.35 -0.11 -0.02 0.00 0.56 0.00 0.00 36.38 36.46 2kfj s VAL 58 CO 0.44 -0.12 1.23 -0.69 -0.31 0.00 0.00 175.10 175.65 2kfj s VAL 59 N -0.39 2.45 -0.17 1.32 1.01 -1.26 -0.77 120.40 122.59 2kfj s VAL 59 Ca -0.04 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 2kfj s VAL 59 Cb -0.03 -3.05 0.08 0.00 0.00 0.00 0.00 36.38 33.38 2kfj s VAL 59 CO -0.00 -0.07 0.22 -0.22 0.00 0.00 0.00 175.10 175.03 2kfj s LEU 60 N -4.32 -0.16 0.00 3.92 2.96 0.14 -4.76 118.68 116.45 2kfj s LEU 60 Ca 0.78 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.77 2kfj s LEU 60 Cb -0.32 0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.84 2kfj s LEU 60 CO 0.37 -0.29 0.73 0.61 -1.32 0.00 0.00 176.35 176.45 2kfj n GLY 61 N 5.33 0.79 3.57 7.98 0.00 -1.26 -2.98 105.19 118.62 2kfj n GLY 61 Ca -0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.48 0.23 0.15 1.61 1.04 -1.26 -5.00 113.70 109.98 2kfj s SER 62 Ca 0.01 -1.13 0.06 0.00 0.48 0.00 0.00 55.95 55.37 2kfj s SER 62 Cb 0.01 0.63 -0.10 0.00 0.10 0.00 0.00 66.02 66.66 2kfj s SER 62 CO -0.01 -1.23 1.33 -0.78 0.98 0.00 0.00 173.24 173.54 2kfj h ASP 63 N 2.20 0.05 0.64 7.02 3.58 -1.95 -0.60 116.42 127.36 2kfj h ASP 63 Ca -0.28 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2kfj h ASP 63 Cb 1.25 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2kfj h ASP 63 CO 0.37 0.96 0.00 1.21 -2.88 0.00 0.00 179.24 178.91 2kfj n GLU 64 N -3.47 0.15 -0.00 0.28 2.13 -1.26 0.62 120.64 119.09 2kfj n GLU 64 Ca -0.01 0.39 0.04 0.00 0.66 0.00 0.00 57.16 58.25 2kfj n GLU 64 Cb 0.88 -1.79 -0.06 0.00 0.27 0.00 0.00 31.44 30.74 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 -2.06 1.91 0.03 4.31 9.92 -1.13 -3.28 116.55 126.24 2kfj n ASP 65 Ca 0.02 -0.29 0.03 0.00 -0.53 0.00 0.00 54.79 54.03 2kfj n ASP 65 Cb 0.20 1.25 -0.08 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 -1.57 0.76 -0.12 1.24 -0.00 -0.25 -3.74 117.44 113.76 2kfj n TRP 66 Ca -0.00 0.24 -0.25 0.00 -0.00 0.00 0.00 57.50 57.49 2kfj n TRP 66 Cb 0.20 -0.97 -0.11 0.00 -0.00 0.00 0.00 31.31 30.43 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 -2.74 1.91 0.11 5.87 3.02 0.20 -3.06 115.26 120.57 2kfj n ASN 67 Ca -0.09 0.37 0.19 0.00 -0.03 0.00 0.00 54.58 55.03 2kfj n ASN 67 Cb 0.77 -0.89 0.67 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.97 0.20 0.13 2.41 2.07 -1.69 0.65 116.25 119.05 2kfj h VAL 68 Ca -0.51 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 66.68 2kfj h VAL 68 Cb 1.47 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2kfj h VAL 68 CO -0.30 0.00 -1.70 0.00 0.02 0.00 0.00 177.57 175.59 2kfj h ALA 69 N 1.21 0.26 0.15 1.67 0.00 -1.71 -3.32 119.26 117.52 2kfj h ALA 69 Ca 0.19 -1.22 0.02 0.00 0.00 0.00 0.00 54.91 53.90 2kfj h ALA 69 Cb 1.35 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 2kfj h ALA 69 CO -0.00 1.04 -0.33 0.87 0.00 0.00 0.00 179.25 180.83 2kfj h LYS 70 N -0.11 -0.55 -0.07 0.00 1.57 0.28 0.26 116.57 117.96 2kfj h LYS 70 Ca -0.36 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.48 2kfj h LYS 70 Cb 1.92 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 34.35 2kfj h LYS 70 CO 0.08 -0.37 0.40 0.93 -0.57 0.00 0.00 179.45 179.93 2kfj h GLU 71 N -0.57 0.00 0.15 3.15 5.08 -1.13 0.54 114.58 121.80 2kfj h GLU 71 Ca 0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.08 2kfj h GLU 71 Cb 0.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.84 2kfj h GLU 71 CO -0.17 0.00 -1.40 1.98 -1.00 0.00 0.00 179.01 178.42 2kfj h MET 72 N 0.00 0.33 -0.78 2.33 4.05 -0.63 -3.32 114.93 116.90 2kfj h MET 72 Ca 0.03 -0.56 0.19 0.00 -0.28 0.00 0.00 59.70 59.08 2kfj h MET 72 Cb 0.84 0.21 -0.13 0.00 -0.80 0.00 0.00 31.60 31.72 2kfj h MET 72 CO -0.00 1.24 0.13 -0.07 0.23 0.00 0.00 176.91 178.44 2kfj h LEU 73 N 0.09 -0.12 -1.47 3.39 3.38 0.14 1.47 115.31 122.17 2kfj h LEU 73 Ca -0.20 0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2kfj h LEU 73 Cb 2.03 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 43.02 2kfj h LEU 73 CO 0.21 -0.12 0.37 0.00 0.09 0.00 0.00 178.44 178.98 2kfj h ALA 74 N 1.70 1.64 0.00 1.53 0.00 -1.64 1.43 119.26 123.91 2kfj h ALA 74 Ca 0.45 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 2kfj h ALA 74 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2kfj h ALA 74 CO -0.61 0.32 -0.31 0.93 0.00 0.00 0.00 179.25 179.57 2kfj h GLU 75 N 0.72 0.00 0.00 0.00 4.39 0.14 -3.05 114.58 116.78 2kfj h GLU 75 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2kfj h GLU 75 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2kfj h GLU 75 CO -0.05 0.31 -0.90 0.09 -1.16 0.00 0.00 179.01 177.31 2kfj n ASN 76 N -3.20 0.64 -3.14 1.42 3.02 0.31 -4.95 115.26 109.36 2kfj n ASN 76 Ca 0.02 -0.06 -0.22 0.00 -0.03 0.00 0.00 54.58 54.30 2kfj n ASN 76 Cb 0.64 0.57 0.06 0.00 -0.61 0.00 0.00 39.78 40.43 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 -2.06 -5.97 -3.99 6.41 3.02 0.47 -4.99 115.26 108.15 2kfj n ASN 77 Ca 0.02 -0.41 -0.29 0.00 -0.03 0.00 0.00 54.58 53.88 2kfj n ASN 77 Cb 0.45 -4.66 -0.17 0.00 -0.61 0.00 0.00 39.78 34.79 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 -5.99 2.03 0.00 3.52 -1.05 -0.83 -4.97 118.70 111.41 2kfj s GLU 78 Ca 0.44 -0.46 0.21 0.00 -0.15 0.00 0.00 54.97 55.01 2kfj s GLU 78 Cb -0.20 -1.89 0.97 0.00 -0.44 0.00 0.00 34.13 32.58 2kfj s GLU 78 CO 0.55 -0.20 1.66 1.17 0.95 0.00 0.00 175.26 179.39 2kfj n LYS 79 N 4.68 1.38 -4.35 -4.83 3.00 -1.26 -4.67 118.16 112.11 2kfj n LYS 79 Ca -0.16 -0.57 -0.30 0.00 -0.00 0.00 0.00 58.31 57.27 2kfj n LYS 79 Cb 0.50 -1.36 -0.04 0.00 0.00 0.00 0.00 35.03 34.13 2kfj n LYS 79 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 2kfj n PHE 80 N -0.22 0.42 -3.66 5.64 -1.74 -1.26 -2.07 117.46 114.57 2kfj n PHE 80 Ca 0.16 -2.47 -0.10 0.00 -0.56 0.00 0.00 57.45 54.47 2kfj n PHE 80 Cb 0.21 -0.39 -0.05 0.00 1.52 0.00 0.00 39.48 40.77 2kfj n PHE 80 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2kfj s LEU 81 N 0.00 0.51 -0.09 5.98 1.98 0.40 -4.70 118.68 122.76 2kfj s LEU 81 Ca 0.14 -0.36 0.02 0.00 -2.89 0.00 0.00 54.13 51.04 2kfj s LEU 81 Cb -0.01 1.75 0.01 0.00 0.66 0.00 0.00 46.19 48.60 2kfj s LEU 81 CO 0.09 -0.84 -0.14 0.21 -1.89 0.00 0.00 176.35 173.78 2kfj s ASN 82 N -2.81 2.18 0.10 3.68 2.47 -1.26 -0.45 114.94 118.85 2kfj s ASN 82 Ca 0.03 -0.37 0.10 0.00 0.42 0.00 0.00 52.86 53.05 2kfj s ASN 82 Cb 0.02 -0.98 -0.04 0.00 -1.45 0.00 0.00 41.25 38.81 2kfj s ASN 82 CO -0.12 0.02 -0.27 -0.63 -3.72 0.00 0.00 177.10 172.39 2kfj s ILE 83 N 0.86 2.22 -0.12 -5.21 -1.09 -1.03 -1.79 121.20 115.04 2kfj s ILE 83 Ca -0.10 -1.64 -0.03 0.00 -2.23 0.00 0.00 60.65 56.66 2kfj s ILE 83 Cb -0.15 -1.94 -0.03 0.00 -1.58 0.00 0.00 42.46 38.76 2kfj s ILE 83 CO 0.01 0.18 -0.03 -0.60 -1.23 0.00 0.00 174.94 173.27 2kfj s ARG 84 N -1.78 3.35 -0.25 2.79 6.06 0.18 -0.15 118.95 129.15 2kfj s ARG 84 Ca 0.13 -0.49 0.00 0.00 -2.50 0.00 0.00 55.73 52.88 2kfj s ARG 84 Cb -0.10 -2.84 0.07 0.00 0.06 0.00 0.00 34.95 32.14 2kfj s ARG 84 CO 0.05 0.43 -0.01 -0.51 -2.50 0.00 0.00 175.30 172.76 2kfj s LEU 85 N -0.15 2.57 0.00 -0.88 1.02 0.96 -3.08 118.68 119.12 2kfj s LEU 85 Ca 0.03 -1.29 0.00 0.00 0.02 0.00 0.00 54.13 52.89 2kfj s LEU 85 Cb -0.13 -1.11 0.00 0.00 0.02 0.00 0.00 46.19 44.98 2kfj s LEU 85 CO 0.02 -0.28 0.30 0.00 0.02 0.00 0.00 176.35 176.41