#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 1.44 0.00 1.53 1.43 -1.26 -4.96 118.68 116.86 2kfj s LEU 2 Ca 0.00 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2kfj s LEU 2 Cb 0.00 0.71 0.00 0.00 0.03 0.00 0.00 46.19 46.93 2kfj s LEU 2 CO 0.00 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.88 2kfj n GLY 3 N 1.77 1.02 1.97 -3.19 0.00 -1.26 -5.14 105.19 100.37 2kfj n GLY 3 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 2kfj n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfj n SER 4 N 0.00 -1.05 -4.10 1.61 7.64 -1.26 -4.60 113.62 111.86 2kfj n SER 4 Ca 0.00 -1.65 -0.20 0.00 1.01 0.00 0.00 58.87 58.04 2kfj n SER 4 Cb 0.00 1.73 -0.14 0.00 -1.01 0.00 0.00 64.21 64.79 2kfj n SER 4 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kfj s ILE 5 N -2.42 0.97 -0.07 0.44 1.01 -0.94 -4.91 121.20 115.28 2kfj s ILE 5 Ca 0.10 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 2kfj s ILE 5 Cb -0.02 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.54 2kfj s ILE 5 CO 0.05 0.07 0.26 -0.22 0.00 0.00 0.00 174.94 175.10 2kfj s LEU 6 N -0.82 4.43 -0.20 2.97 2.96 -1.02 -1.54 118.68 125.46 2kfj s LEU 6 Ca 0.02 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.61 2kfj s LEU 6 Cb -0.07 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.33 2kfj s LEU 6 CO 0.01 0.37 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.90 2kfj s PHE 7 N -1.02 2.85 -0.71 5.38 0.40 -1.09 0.94 117.98 124.73 2kfj s PHE 7 Ca 0.19 -1.42 -0.22 0.00 -0.60 0.00 0.00 56.93 54.88 2kfj s PHE 7 Cb -0.14 -1.99 0.07 0.00 0.51 0.00 0.00 43.02 41.48 2kfj s PHE 7 CO 0.08 -0.72 1.02 0.50 0.70 0.00 0.00 175.22 176.80 2kfj s ARG 8 N 1.35 3.19 -0.30 0.44 3.52 -0.43 -2.59 118.95 124.13 2kfj s ARG 8 Ca 0.05 -0.91 -0.21 0.00 -0.13 0.00 0.00 55.73 54.53 2kfj s ARG 8 Cb -0.14 -4.34 -0.01 0.00 -1.56 0.00 0.00 34.95 28.91 2kfj s ARG 8 CO -0.09 -1.85 0.65 0.42 -0.81 0.00 0.00 175.30 173.62 2kfj s ILE 9 N 4.05 4.92 -0.07 4.11 1.09 0.09 0.51 121.20 135.90 2kfj s ILE 9 Ca 0.25 0.93 -0.13 0.00 -1.10 0.00 0.00 60.65 60.60 2kfj s ILE 9 Cb -0.14 -4.02 -0.05 0.00 -1.06 0.00 0.00 42.46 37.19 2kfj s ILE 9 CO 0.08 -0.14 0.33 -0.55 -0.10 0.00 0.00 174.94 174.55 2kfj s SER 10 N 1.62 6.63 -0.25 3.58 0.15 -0.65 0.97 113.70 125.74 2kfj s SER 10 Ca 0.26 0.75 -0.17 0.00 0.70 0.00 0.00 55.95 57.49 2kfj s SER 10 Cb -0.15 -2.20 0.07 0.00 -1.71 0.00 0.00 66.02 62.03 2kfj s SER 10 CO 0.12 0.28 0.63 -0.47 1.20 0.00 0.00 173.24 174.99 2kfj s TYR 11 N -0.63 -0.87 -0.48 3.44 6.14 -1.17 0.51 117.35 124.28 2kfj s TYR 11 Ca 0.20 1.87 0.00 0.00 0.64 0.00 0.00 57.07 59.78 2kfj s TYR 11 Cb -0.15 0.45 0.00 0.00 0.42 0.00 0.00 41.96 42.68 2kfj s TYR 11 CO 0.09 -0.44 0.00 0.09 0.64 0.00 0.00 175.55 175.93 2kfj n ASN 12 N 3.77 -5.30 0.00 4.32 3.02 -1.26 -0.02 115.26 119.79 2kfj n ASN 12 Ca -0.18 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2kfj n ASN 12 Cb 0.57 -3.21 0.00 0.00 -0.61 0.00 0.00 39.78 36.54 2kfj n ASN 12 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2kfj n SER 13 N -0.78 -1.47 -1.34 6.41 2.88 -1.26 -5.06 113.62 113.00 2kfj n SER 13 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2kfj n SER 13 Cb 0.44 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -2.49 1.72 -3.77 -1.46 -0.58 0.97 -5.13 120.64 109.91 2kfj n GLU 14 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2kfj n GLU 14 Cb 0.00 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.72 2kfj n GLU 14 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2kfj s ILE 15 N 1.22 -0.05 0.20 -3.67 -1.09 -1.26 -3.05 121.20 113.51 2kfj s ILE 15 Ca 0.00 0.18 0.08 0.00 -2.23 0.00 0.00 60.65 58.68 2kfj s ILE 15 Cb 0.00 -0.14 -0.05 0.00 -1.58 0.00 0.00 42.46 40.69 2kfj s ILE 15 CO 0.00 0.07 -0.16 0.12 -1.23 0.00 0.00 174.94 173.74 2kfj s PHE 16 N 0.98 1.81 0.05 3.97 5.36 0.27 -4.95 117.98 125.47 2kfj s PHE 16 Ca -0.08 -0.51 0.07 0.00 -0.96 0.00 0.00 56.93 55.45 2kfj s PHE 16 Cb -0.11 -0.85 -0.03 0.00 -0.34 0.00 0.00 43.02 41.69 2kfj s PHE 16 CO -0.04 0.40 -0.19 0.95 -1.46 0.00 0.00 175.22 174.88 2kfj s THR 17 N -2.66 2.73 -0.27 0.12 -4.23 -1.26 -0.73 115.64 109.35 2kfj s THR 17 Ca 0.22 -1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 2kfj s THR 17 Cb -0.03 -2.15 0.15 0.00 1.34 0.00 0.00 72.50 71.81 2kfj s THR 17 CO 0.08 0.33 0.41 -0.22 -0.54 0.00 0.00 174.62 174.68 2kfj s LEU 18 N -1.46 -0.78 -0.46 4.79 1.98 -1.07 -4.95 118.68 116.73 2kfj s LEU 18 Ca 0.14 0.09 -0.27 0.00 -2.89 0.00 0.00 54.13 51.20 2kfj s LEU 18 Cb -0.10 1.24 -0.04 0.00 0.66 0.00 0.00 46.19 47.94 2kfj s LEU 18 CO 0.05 -0.31 2.07 -0.22 -1.89 0.00 0.00 176.35 176.04 2kfj s LEU 19 N 2.58 3.39 -0.28 -0.68 1.98 -1.26 -2.69 118.68 121.72 2kfj s LEU 19 Ca 0.12 1.00 -0.06 0.00 -2.89 0.00 0.00 54.13 52.30 2kfj s LEU 19 Cb -0.14 -2.88 0.01 0.00 0.66 0.00 0.00 46.19 43.84 2kfj s LEU 19 CO -0.21 -2.33 0.06 0.54 -1.89 0.00 0.00 176.35 172.52 2kfj s VAL 20 N 9.46 3.88 1.10 1.68 0.11 -0.59 -5.01 120.40 131.04 2kfj s VAL 20 Ca 0.84 -0.67 -0.12 0.00 -2.93 0.00 0.00 61.98 59.10 2kfj s VAL 20 Cb -0.19 -2.97 0.24 0.00 -1.53 0.00 0.00 36.38 31.93 2kfj s VAL 20 CO 0.27 0.12 1.00 -0.62 -3.33 0.00 0.00 175.10 172.54 2kfj n GLU 21 N 4.85 -1.86 -0.11 1.54 -0.58 -1.26 -2.22 120.64 121.00 2kfj n GLU 21 Ca -0.15 -0.50 0.04 0.00 -0.42 0.00 0.00 57.16 56.13 2kfj n GLU 21 Cb 0.48 -2.20 0.13 0.00 -0.57 0.00 0.00 31.44 29.29 2kfj n GLU 21 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2kfj n LYS 22 N -4.59 1.54 -0.00 3.49 5.02 -1.26 -2.98 118.16 119.38 2kfj n LYS 22 Ca 0.05 -0.84 0.03 0.00 -2.02 0.00 0.00 58.31 55.54 2kfj n LYS 22 Cb 0.54 -1.20 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 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 0.17 0.00 -2.06 -0.18 3.14 -1.26 -4.91 118.33 113.23 2kfj n VAL 23 Ca 0.09 -0.29 -0.37 0.00 -2.96 0.00 0.00 64.34 60.81 2kfj n VAL 23 Cb 0.20 0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 33.78 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 -1.87 1.71 1.41 1.45 0.52 -1.16 -4.95 118.94 116.04 2kfj s TRP 24 Ca 0.01 0.73 -0.23 0.00 0.02 0.00 0.00 56.10 56.63 2kfj s TRP 24 Cb 0.05 -4.10 0.36 0.00 -1.15 0.00 0.00 33.47 28.63 2kfj s TRP 24 CO 0.29 -2.20 0.96 0.54 0.02 0.00 0.00 176.95 176.55 2kfj s ASN 25 N 7.96 -0.93 0.31 2.95 4.22 -1.26 -4.32 114.94 123.87 2kfj s ASN 25 Ca 0.67 0.72 0.07 0.00 -2.14 0.00 0.00 52.86 52.18 2kfj s ASN 25 Cb -0.11 -0.99 0.80 0.00 1.28 0.00 0.00 41.25 42.23 2kfj s ASN 25 CO 0.17 -5.26 1.74 2.19 -2.04 0.00 0.00 177.10 173.89 2kfj h PHE 26 N -3.36 0.98 0.67 1.54 -0.00 -1.93 0.62 116.94 115.46 2kfj h PHE 26 Ca -0.41 0.04 -0.03 0.00 -0.00 0.00 0.00 57.97 57.56 2kfj h PHE 26 Cb 1.33 -0.28 0.01 0.00 -0.00 0.00 0.00 35.95 37.00 2kfj h PHE 26 CO -3.52 0.11 -0.32 -0.44 -0.00 0.00 0.00 178.31 174.15 2kfj h ASP 27 N 0.62 -0.76 -0.26 -0.68 3.45 -1.93 0.24 116.42 117.10 2kfj h ASP 27 Ca 0.61 0.03 0.08 0.00 0.43 0.00 0.00 57.03 58.17 2kfj h ASP 27 Cb 1.07 0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 2kfj h ASP 27 CO -0.45 -0.49 0.35 -0.78 -1.57 0.00 0.00 179.24 176.30 2kfj h ASP 28 N -1.00 0.00 0.41 6.45 1.82 -1.63 0.21 116.42 122.68 2kfj h ASP 28 Ca -0.09 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.53 2kfj h ASP 28 Cb 0.69 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.70 2kfj h ASP 28 CO 0.15 0.00 -0.20 0.25 -1.61 0.00 0.00 179.24 177.83 2kfj h LEU 29 N 0.00 -0.47 -1.54 2.28 5.85 0.77 0.72 115.31 122.92 2kfj h LEU 29 Ca 0.13 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2kfj h LEU 29 Cb 0.83 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 2kfj h LEU 29 CO -0.00 -0.05 0.34 0.40 -0.34 0.00 0.00 178.44 178.79 2kfj h ILE 30 N -1.03 1.08 0.00 4.05 1.08 0.56 -0.26 117.51 122.99 2kfj h ILE 30 Ca -0.06 -0.21 -0.14 0.00 -0.39 0.00 0.00 64.86 64.06 2kfj h ILE 30 Cb 0.53 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 2kfj h ILE 30 CO 0.09 0.11 -0.69 0.24 -0.69 0.00 0.00 178.15 177.22 2kfj h MET 31 N 0.62 0.00 0.93 2.37 2.86 -0.62 -2.10 114.93 118.99 2kfj h MET 31 Ca 0.20 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.79 2kfj h MET 31 Cb 0.03 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.70 2kfj h MET 31 CO -0.05 0.69 -0.44 0.00 1.06 0.00 0.00 176.91 178.16 2kfj h ALA 32 N 1.31 -1.33 -0.29 6.32 0.00 0.23 0.51 119.26 126.02 2kfj h ALA 32 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kfj h ALA 32 Cb 1.35 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2kfj h ALA 32 CO 0.09 -1.23 0.18 0.82 0.00 0.00 0.00 179.25 179.11 2kfj h ILE 33 N -1.25 1.09 -0.01 0.00 5.03 -1.55 0.34 117.51 121.16 2kfj h ILE 33 Ca -0.13 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 2kfj h ILE 33 Cb 0.95 0.70 -0.00 0.00 -3.03 0.00 0.00 36.82 35.44 2kfj h ILE 33 CO 0.21 0.09 0.27 0.78 -0.68 0.00 0.00 178.15 178.82 2kfj h ASN 34 N 0.38 0.00 0.12 1.72 -0.26 -1.29 0.44 115.58 116.68 2kfj h ASN 34 Ca 0.10 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.56 2kfj h ASN 34 Cb -0.01 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.28 2kfj h ASN 34 CO -0.02 0.00 -1.17 -1.28 -1.06 0.00 0.00 177.43 173.90 2kfj h SER 35 N 0.00 0.83 -0.21 5.81 0.87 0.13 0.35 113.55 121.33 2kfj h SER 35 Ca 0.00 -0.83 -0.16 0.00 -1.23 0.00 0.00 61.79 59.57 2kfj h SER 35 Cb 0.54 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2kfj h SER 35 CO -0.00 1.58 -0.46 0.11 -0.53 0.00 0.00 176.83 177.52 2kfj h LYS 36 N 0.19 0.77 -0.01 2.24 6.56 0.07 -2.55 116.57 123.85 2kfj h LYS 36 Ca -0.18 -0.44 0.00 0.00 -1.06 0.00 0.00 60.65 58.97 2kfj h LYS 36 Cb 1.86 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.55 2kfj h LYS 36 CO 0.22 1.07 -0.17 0.44 -2.06 0.00 0.00 179.45 178.96 2kfj n ILE 37 N -4.02 0.00 -0.69 1.86 -5.35 0.06 -4.14 119.36 107.08 2kfj n ILE 37 Ca -0.03 -0.13 0.52 0.00 -0.27 0.00 0.00 62.75 62.84 2kfj n ILE 37 Cb 0.57 0.27 0.80 0.00 -1.74 0.00 0.00 39.64 39.54 2kfj n ILE 37 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2kfj n SER 38 N -0.59 0.00 -0.35 7.28 2.88 0.12 0.41 113.62 123.39 2kfj n SER 38 Ca 0.14 0.97 0.05 0.00 -1.33 0.00 0.00 58.87 58.71 2kfj n SER 38 Cb 0.32 -0.49 0.13 0.00 -0.75 0.00 0.00 64.21 63.43 2kfj n SER 38 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2kfj h ASN 39 N 0.00 -0.90 -2.31 -3.46 -1.24 -1.79 -3.23 115.58 102.65 2kfj h ASN 39 Ca 0.92 0.29 -0.54 0.00 0.71 0.00 0.00 56.30 57.68 2kfj h ASN 39 Cb 3.68 0.60 -0.08 0.00 0.73 0.00 0.00 38.32 43.25 2kfj h ASN 39 CO -0.02 -0.32 1.08 0.42 -1.29 0.00 0.00 177.43 177.30 2kfj s THR 40 N -6.26 3.72 -0.73 -3.57 -4.23 0.17 -4.85 115.64 99.89 2kfj s THR 40 Ca -0.15 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.71 2kfj s THR 40 Cb 0.26 -4.92 0.42 0.00 1.34 0.00 0.00 72.50 69.60 2kfj s THR 40 CO 0.78 -1.85 2.04 1.57 -0.54 0.00 0.00 174.62 176.61 2kfj n HIS 41 N 9.40 3.15 0.00 3.99 -0.00 -1.22 -4.19 115.22 126.35 2kfj n HIS 41 Ca 0.04 -2.80 0.00 0.00 -0.00 0.00 0.00 57.72 54.97 2kfj n HIS 41 Cb 0.49 -1.37 0.00 0.00 -0.00 0.00 0.00 29.99 29.11 2kfj n HIS 41 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2kfj n ILE 42 N -0.79 0.00 -2.97 3.57 -5.35 -1.26 -5.03 119.36 107.52 2kfj n ILE 42 Ca 0.60 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 63.12 2kfj n ILE 42 Cb 0.52 -0.74 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2kfj s SER 43 N -4.24 -0.38 0.22 7.28 0.01 -1.26 -5.17 113.70 110.16 2kfj s SER 43 Ca 0.00 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.20 2kfj s SER 43 Cb 0.00 0.87 0.00 0.00 0.21 0.00 0.00 66.02 67.10 2kfj s SER 43 CO 0.00 -0.06 0.00 -0.81 0.41 0.00 0.00 173.24 172.78 2kfj n PRO 44 N 4.44 0.67 -4.02 12.44 -0.04 -1.26 -5.05 135.00 142.18 2kfj n PRO 44 Ca 0.08 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 2kfj n PRO 44 Cb 0.60 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.91 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 2.59 -0.58 0.52 -5.25 -1.26 -4.98 121.20 112.02 2kfj s ILE 45 Ca 0.00 -0.96 0.00 0.00 -0.99 0.00 0.00 60.65 58.71 2kfj s ILE 45 Cb 0.00 -2.23 0.52 0.00 2.95 0.00 0.00 42.46 43.70 2kfj s ILE 45 CO 0.00 0.35 1.99 0.35 -1.79 0.00 0.00 174.94 175.83 2kfj n THR 46 N 4.65 3.44 -3.58 8.37 -2.24 -1.26 -4.83 114.28 118.83 2kfj n THR 46 Ca -0.18 -2.51 -0.01 0.00 -2.27 0.00 0.00 64.05 59.08 2kfj n THR 46 Cb 0.48 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.74 2kfj n THR 46 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2kfj s LYS 47 N -3.55 0.37 0.10 -0.78 -2.85 -1.26 -4.98 119.74 106.79 2kfj s LYS 47 Ca 0.61 0.72 0.08 0.00 -1.00 0.00 0.00 55.97 56.37 2kfj s LYS 47 Cb 0.49 0.20 -0.03 0.00 -2.06 0.00 0.00 37.83 36.43 2kfj s LYS 47 CO 0.03 -0.09 -0.21 0.96 0.10 0.00 0.00 175.35 176.14 2kfj s ILE 48 N 1.71 1.69 -0.34 3.79 -4.36 -1.18 -4.96 121.20 117.55 2kfj s ILE 48 Ca -0.07 -1.50 -0.05 0.00 -0.26 0.00 0.00 60.65 58.76 2kfj s ILE 48 Cb -0.05 -1.54 0.05 0.00 1.25 0.00 0.00 42.46 42.18 2kfj s ILE 48 CO -0.16 -0.04 0.10 -0.75 0.24 0.00 0.00 174.94 174.33 2kfj s LYS 49 N -1.83 2.53 0.06 0.37 2.20 -1.18 0.85 119.74 122.74 2kfj s LYS 49 Ca 0.06 -1.27 0.00 0.00 -0.36 0.00 0.00 55.97 54.40 2kfj s LYS 49 Cb -0.10 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 2kfj s LYS 49 CO 0.04 -0.71 0.20 1.52 -0.36 0.00 0.00 175.35 176.04 2kfj s TYR 50 N 1.35 3.49 0.40 4.03 1.13 0.18 -0.03 117.35 127.90 2kfj s TYR 50 Ca -0.01 0.24 -0.11 0.00 -1.41 0.00 0.00 57.07 55.77 2kfj s TYR 50 Cb -0.20 -1.75 -0.07 0.00 -1.10 0.00 0.00 41.96 38.84 2kfj s TYR 50 CO 0.01 0.59 0.78 -1.14 -2.51 0.00 0.00 175.55 173.28 2kfj s GLN 51 N -2.48 3.81 0.27 -3.49 0.74 -0.40 -0.32 119.66 117.79 2kfj s GLN 51 Ca 0.34 0.52 0.01 0.00 0.05 0.00 0.00 55.36 56.29 2kfj s GLN 51 Cb -0.13 -2.38 0.01 0.00 1.10 0.00 0.00 33.01 31.61 2kfj s GLN 51 CO 0.27 -0.03 0.09 -3.47 -0.55 0.00 0.00 175.29 171.60 2kfj n ASP 52 N -1.22 2.36 0.03 6.67 2.03 -1.06 -4.79 116.55 120.57 2kfj n ASP 52 Ca 0.03 -2.06 -0.05 0.00 0.52 0.00 0.00 54.79 53.23 2kfj n ASP 52 Cb 0.54 0.09 0.17 0.00 -0.72 0.00 0.00 41.12 41.20 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 0.43 0.00 -0.67 -0.00 -1.90 -1.96 114.58 110.48 2kfj h GLU 53 Ca -0.20 -0.20 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 2kfj h GLU 53 Cb 0.65 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.39 2kfj h GLU 53 CO 0.32 0.75 0.00 0.22 -0.00 0.00 0.00 179.01 180.30 2kfj h ASP 54 N 0.36 0.00 0.00 3.06 -0.00 -2.01 -3.45 116.42 114.38 2kfj h ASP 54 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 2kfj h ASP 54 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.16 2kfj h ASP 54 CO 0.07 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.92 2kfj n GLY 55 N -0.62 0.67 3.87 -0.78 0.00 -0.74 -5.04 105.19 102.55 2kfj n GLY 55 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.12 6.44 0.39 1.61 -1.08 -1.26 -4.81 116.67 115.83 2kfj s ASP 56 Ca 0.00 0.52 -0.26 0.00 -0.52 0.00 0.00 52.55 52.29 2kfj s ASP 56 Cb 0.00 -2.09 -0.09 0.00 -1.46 0.00 0.00 42.92 39.28 2kfj s ASP 56 CO 0.00 0.39 1.19 0.72 0.52 0.00 0.00 175.17 177.98 2kfj s PHE 57 N -0.96 3.08 -0.09 -5.34 -0.12 -1.26 -2.55 117.98 110.74 2kfj s PHE 57 Ca 0.16 1.54 -0.06 0.00 -0.05 0.00 0.00 56.93 58.52 2kfj s PHE 57 Cb -0.13 -3.43 0.03 0.00 -0.63 0.00 0.00 43.02 38.87 2kfj s PHE 57 CO 0.05 -1.37 0.22 0.14 -0.05 0.00 0.00 175.22 174.21 2kfj s VAL 58 N -1.36 -0.02 0.69 -2.49 -7.23 0.56 -4.96 120.40 105.59 2kfj s VAL 58 Ca 0.55 0.08 -0.15 0.00 -1.81 0.00 0.00 61.98 60.65 2kfj s VAL 58 Cb -0.32 -0.33 0.02 0.00 0.56 0.00 0.00 36.38 36.31 2kfj s VAL 58 CO 0.41 0.03 1.14 0.54 -0.31 0.00 0.00 175.10 176.91 2kfj s VAL 59 N 0.67 2.89 -0.05 1.32 0.11 -1.26 0.47 120.40 124.55 2kfj s VAL 59 Ca -0.05 0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 59.40 2kfj s VAL 59 Cb -0.06 -2.93 0.04 0.00 -1.53 0.00 0.00 36.38 31.89 2kfj s VAL 59 CO -0.04 -0.26 0.09 -0.22 -3.33 0.00 0.00 175.10 171.35 2kfj s LEU 60 N -5.05 0.31 0.00 2.54 2.96 0.25 -4.74 118.68 114.95 2kfj s LEU 60 Ca 0.69 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 2kfj s LEU 60 Cb -0.23 0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.50 2kfj s LEU 60 CO 0.44 -0.22 0.70 0.61 -1.32 0.00 0.00 176.35 176.56 2kfj n GLY 61 N 4.99 0.31 3.55 7.98 0.00 -1.26 -3.10 105.19 117.65 2kfj n GLY 61 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.65 -0.44 0.59 1.61 0.01 -1.26 -5.01 113.70 108.55 2kfj s SER 62 Ca 0.00 -0.15 0.37 0.00 1.31 0.00 0.00 55.95 57.48 2kfj s SER 62 Cb 0.00 0.58 1.79 0.00 0.21 0.00 0.00 66.02 68.59 2kfj s SER 62 CO 0.00 -0.97 2.15 -0.78 0.41 0.00 0.00 173.24 174.05 2kfj h ASP 63 N 2.00 0.00 1.60 2.44 3.58 -1.96 0.29 116.42 124.36 2kfj h ASP 63 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2kfj h ASP 63 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2kfj h ASP 63 CO 0.33 0.03 0.00 -0.08 -2.88 0.00 0.00 179.24 176.63 2kfj h GLU 64 N 0.00 0.00 0.00 0.28 4.57 -1.98 0.06 114.58 117.51 2kfj h GLU 64 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kfj h GLU 64 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2kfj h GLU 64 CO 0.00 0.00 -0.97 -0.25 -1.18 0.00 0.00 179.01 176.62 2kfj n ASP 65 N -2.89 1.12 -0.01 1.04 8.00 -0.03 -3.13 116.55 120.65 2kfj n ASP 65 Ca 0.03 -0.50 -0.06 0.00 0.71 0.00 0.00 54.79 54.97 2kfj n ASP 65 Cb 0.44 1.22 -0.12 0.00 -0.02 0.00 0.00 41.12 42.64 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 -1.54 0.93 -0.09 1.24 -0.00 0.82 -3.10 117.44 115.70 2kfj n TRP 66 Ca 0.01 0.33 -0.22 0.00 -0.00 0.00 0.00 57.50 57.62 2kfj n TRP 66 Cb 0.25 -1.14 -0.12 0.00 -0.00 0.00 0.00 31.31 30.30 2kfj n TRP 66 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 2kfj h ASN 67 N 0.00 0.04 0.16 5.87 2.35 -1.18 -2.68 115.58 120.14 2kfj h ASN 67 Ca -0.26 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 54.94 2kfj h ASN 67 Cb 1.88 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.23 2kfj h ASN 67 CO 0.06 1.51 0.00 0.58 -1.65 0.00 0.00 177.43 177.93 2kfj h VAL 68 N -0.91 0.00 0.10 2.81 2.07 -1.72 0.19 116.25 118.79 2kfj h VAL 68 Ca -0.35 -0.06 -0.37 0.00 0.82 0.00 0.00 66.70 66.75 2kfj h VAL 68 Cb 1.36 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2kfj h VAL 68 CO -0.18 0.00 -2.07 0.00 0.02 0.00 0.00 177.57 175.34 2kfj n ALA 69 N -1.81 0.98 0.30 1.67 0.00 -1.18 -3.89 120.51 116.58 2kfj n ALA 69 Ca -0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 53.44 52.62 2kfj n ALA 69 Cb 0.08 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 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 0.04 -0.77 -1.22 0.00 1.57 -0.82 -2.75 116.57 112.62 2kfj h LYS 70 Ca -0.45 0.05 0.35 0.00 -1.87 0.00 0.00 60.65 58.73 2kfj h LYS 70 Cb 2.00 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 34.43 2kfj h LYS 70 CO 0.05 -0.47 1.06 0.93 -0.57 0.00 0.00 179.45 180.45 2kfj h GLU 71 N -1.14 0.00 -0.34 3.15 5.08 -0.90 1.33 114.58 121.76 2kfj h GLU 71 Ca -0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2kfj h GLU 71 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2kfj h GLU 71 CO 0.13 0.00 -0.25 1.98 -1.00 0.00 0.00 179.01 179.87 2kfj h MET 72 N 0.00 0.77 -0.64 2.33 4.05 -1.60 -3.03 114.93 116.80 2kfj h MET 72 Ca 0.58 -0.38 0.09 0.00 -0.28 0.00 0.00 59.70 59.72 2kfj h MET 72 Cb 2.68 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 33.41 2kfj h MET 72 CO -0.01 1.00 0.26 -0.07 0.23 0.00 0.00 176.91 178.33 2kfj h LEU 73 N 0.54 0.29 -1.70 3.39 3.38 0.19 0.73 115.31 122.13 2kfj h LEU 73 Ca 0.06 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2kfj h LEU 73 Cb 0.82 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 2kfj h LEU 73 CO 0.07 0.17 0.36 0.00 0.09 0.00 0.00 178.44 179.12 2kfj h ALA 74 N 1.42 2.04 0.00 1.53 0.00 -1.42 1.16 119.26 124.00 2kfj h ALA 74 Ca 0.32 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2kfj h ALA 74 Cb 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kfj h ALA 74 CO -0.30 -0.16 -0.59 0.93 0.00 0.00 0.00 179.25 179.14 2kfj h GLU 75 N 0.34 0.00 0.00 0.00 5.08 -0.24 -3.20 114.58 116.57 2kfj h GLU 75 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2kfj h GLU 75 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kfj h GLU 75 CO -0.06 0.11 -0.69 0.09 -1.00 0.00 0.00 179.01 177.46 2kfj n ASN 76 N -2.95 0.64 -3.46 1.42 3.02 0.21 -4.95 115.26 109.21 2kfj n ASN 76 Ca 0.01 -0.01 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 2kfj n ASN 76 Cb 0.60 0.31 0.08 0.00 -0.61 0.00 0.00 39.78 40.16 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 -1.98 -6.22 -4.41 6.41 3.02 0.36 -5.00 115.26 107.45 2kfj n ASN 77 Ca 0.03 -0.51 -0.25 0.00 -0.03 0.00 0.00 54.58 53.82 2kfj n ASN 77 Cb 0.42 -4.86 -0.11 0.00 -0.61 0.00 0.00 39.78 34.62 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 -6.25 1.47 -0.09 3.52 -1.05 -1.00 -5.02 118.70 110.29 2kfj s GLU 78 Ca 0.56 -1.52 0.13 0.00 -0.15 0.00 0.00 54.97 53.99 2kfj s GLU 78 Cb -0.25 -1.71 0.35 0.00 -0.44 0.00 0.00 34.13 32.08 2kfj s GLU 78 CO 0.69 0.36 1.27 1.63 0.95 0.00 0.00 175.26 180.16 2kfj n LYS 79 N 0.20 2.69 -4.33 -4.83 4.76 -1.26 -4.64 118.16 110.74 2kfj n LYS 79 Ca -0.12 -2.36 -0.19 0.00 -2.87 0.00 0.00 58.31 52.77 2kfj n LYS 79 Cb 0.57 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 32.17 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 -1.98 1.59 0.15 2.13 -0.71 -1.26 -2.43 117.98 115.47 2kfj s PHE 80 Ca 0.29 -1.36 -0.01 0.00 -1.04 0.00 0.00 56.93 54.80 2kfj s PHE 80 Cb 0.21 -0.85 -0.04 0.00 -1.21 0.00 0.00 43.02 41.13 2kfj s PHE 80 CO 0.09 -0.52 0.08 -1.17 -1.34 0.00 0.00 175.22 172.37 2kfj s LEU 81 N -3.37 1.60 -0.25 -1.99 0.20 0.27 -4.86 118.68 110.28 2kfj s LEU 81 Ca 0.36 -1.23 0.00 0.00 0.69 0.00 0.00 54.13 53.95 2kfj s LEU 81 Cb 0.05 0.36 0.07 0.00 -0.43 0.00 0.00 46.19 46.24 2kfj s LEU 81 CO 0.17 -0.76 -0.01 0.21 -0.29 0.00 0.00 176.35 175.67 2kfj s ASN 82 N -3.07 3.84 0.09 3.68 2.47 -1.26 -1.31 114.94 119.37 2kfj s ASN 82 Ca 0.27 -1.29 0.05 0.00 0.42 0.00 0.00 52.86 52.31 2kfj s ASN 82 Cb 0.07 -1.10 -0.04 0.00 -1.45 0.00 0.00 41.25 38.73 2kfj s ASN 82 CO 0.04 -0.28 0.00 -0.63 -3.72 0.00 0.00 177.10 172.51 2kfj s ILE 83 N 1.44 4.03 0.07 -5.21 -1.09 0.18 -1.27 121.20 119.35 2kfj s ILE 83 Ca -0.01 -0.97 0.08 0.00 -2.23 0.00 0.00 60.65 57.51 2kfj s ILE 83 Cb -0.18 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 2kfj s ILE 83 CO -0.09 0.13 -0.19 -0.60 -1.23 0.00 0.00 174.94 172.96 2kfj s ARG 84 N -2.29 1.95 -0.15 2.79 3.52 0.96 -1.64 118.95 124.09 2kfj s ARG 84 Ca 0.26 -1.06 -0.04 0.00 -0.13 0.00 0.00 55.73 54.75 2kfj s ARG 84 Cb -0.12 -2.15 0.07 0.00 -1.56 0.00 0.00 34.95 31.20 2kfj s ARG 84 CO 0.18 0.52 0.23 -1.17 -0.81 0.00 0.00 175.30 174.25 2kfj s LEU 85 N -1.68 -0.20 0.00 -0.88 2.96 0.18 -3.09 118.68 115.97 2kfj s LEU 85 Ca 0.16 0.24 0.29 0.00 -0.22 0.00 0.00 54.13 54.60 2kfj s LEU 85 Cb -0.10 0.51 1.25 0.00 0.50 0.00 0.00 46.19 48.35 2kfj s LEU 85 CO 0.07 -0.27 1.86 0.00 -1.32 0.00 0.00 176.35 176.68