#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfj h LEU 2 N 0.00 0.00 -7.38 1.53 4.07 -2.07 -3.37 115.31 108.09 2kfj h LEU 2 Ca 0.00 0.00 -0.74 0.00 0.08 0.00 0.00 57.88 57.22 2kfj h LEU 2 Cb 0.00 0.00 -0.32 0.00 1.08 0.00 0.00 40.66 41.42 2kfj h LEU 2 CO 0.00 0.30 0.15 0.61 -1.08 0.00 0.00 178.44 178.42 2kfj n GLY 3 N 1.04 4.20 3.45 0.83 0.00 -1.26 -5.02 105.19 108.44 2kfj n GLY 3 Ca 0.02 -2.60 -0.22 0.00 0.00 0.00 0.00 46.02 43.23 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 0.35 2.35 0.13 1.61 1.04 -1.26 -1.75 113.70 116.16 2kfj s SER 4 Ca 0.29 -1.43 -0.04 0.00 0.48 0.00 0.00 55.95 55.25 2kfj s SER 4 Cb -0.08 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 2kfj s SER 4 CO -0.10 -0.67 0.13 -0.63 0.98 0.00 0.00 173.24 172.94 2kfj s ILE 5 N -3.32 0.11 0.08 -1.02 1.01 0.85 -4.84 121.20 114.07 2kfj s ILE 5 Ca 0.34 -1.66 0.08 0.00 0.00 0.00 0.00 60.65 59.41 2kfj s ILE 5 Cb 0.08 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 2kfj s ILE 5 CO 0.15 -0.50 -0.21 -0.22 0.00 0.00 0.00 174.94 174.16 2kfj s LEU 6 N -2.99 2.25 -0.16 2.97 1.98 -1.26 -1.42 118.68 120.04 2kfj s LEU 6 Ca 0.18 -0.62 -0.04 0.00 -2.89 0.00 0.00 54.13 50.75 2kfj s LEU 6 Cb 0.06 -0.92 0.08 0.00 0.66 0.00 0.00 46.19 46.06 2kfj s LEU 6 CO -0.02 0.10 0.27 -0.36 -1.89 0.00 0.00 176.35 174.45 2kfj s PHE 7 N -1.01 -0.44 -0.65 5.38 0.08 -0.08 -2.17 117.98 119.08 2kfj s PHE 7 Ca 0.07 0.79 -0.22 0.00 0.12 0.00 0.00 56.93 57.69 2kfj s PHE 7 Cb -0.09 -0.10 0.08 0.00 -0.57 0.00 0.00 43.02 42.33 2kfj s PHE 7 CO 0.03 -0.46 0.92 1.03 -0.10 0.00 0.00 175.22 176.65 2kfj s ARG 8 N 2.42 3.11 -0.42 0.44 0.52 -1.01 -0.18 118.95 123.82 2kfj s ARG 8 Ca 0.04 -0.95 -0.28 0.00 -0.52 0.00 0.00 55.73 54.02 2kfj s ARG 8 Cb -0.13 -4.25 0.02 0.00 0.52 0.00 0.00 34.95 31.11 2kfj s ARG 8 CO -0.10 -1.77 1.05 0.42 0.02 0.00 0.00 175.30 174.92 2kfj s ILE 9 N 3.78 4.38 -0.14 1.52 1.09 -0.39 -0.72 121.20 130.72 2kfj s ILE 9 Ca 0.20 1.24 0.02 0.00 -1.10 0.00 0.00 60.65 61.01 2kfj s ILE 9 Cb -0.18 -4.49 0.01 0.00 -1.06 0.00 0.00 42.46 36.74 2kfj s ILE 9 CO 0.09 -0.79 -0.21 -0.94 -0.10 0.00 0.00 174.94 173.00 2kfj s SER 10 N 2.16 3.24 0.32 3.58 1.04 -1.14 -0.34 113.70 122.56 2kfj s SER 10 Ca 0.44 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 56.34 2kfj s SER 10 Cb -0.10 -1.47 -0.04 0.00 0.10 0.00 0.00 66.02 64.52 2kfj s SER 10 CO 0.25 0.09 0.15 -0.47 0.98 0.00 0.00 173.24 174.24 2kfj s TYR 11 N 0.74 1.66 0.50 5.02 5.04 -0.45 0.53 117.35 130.40 2kfj s TYR 11 Ca -0.08 -1.33 0.46 0.00 -2.44 0.00 0.00 57.07 53.67 2kfj s TYR 11 Cb -0.16 -0.94 1.58 0.00 0.35 0.00 0.00 41.96 42.79 2kfj s TYR 11 CO 0.00 -0.45 1.42 -1.71 -1.34 0.00 0.00 175.55 173.47 2kfj n ASN 12 N -0.98 0.01 0.00 4.32 5.15 -1.26 -2.14 115.26 120.35 2kfj n ASN 12 Ca -0.00 0.92 0.00 0.00 -0.60 0.00 0.00 54.58 54.89 2kfj n ASN 12 Cb 0.65 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 2kfj n ASN 12 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2kfj n SER 13 N -3.77 0.00 -0.98 1.20 7.64 -1.26 -5.06 113.62 111.39 2kfj n SER 13 Ca 0.41 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2kfj n SER 13 Cb 1.83 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 65.03 2kfj n SER 13 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kfj n GLU 14 N 0.00 0.00 -4.06 1.43 1.02 -0.91 -5.15 120.64 112.97 2kfj n GLU 14 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2kfj n GLU 14 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 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 -2.31 3.61 0.50 -3.67 1.09 -1.26 -1.34 121.20 117.83 2kfj s ILE 15 Ca 0.00 -0.42 0.01 0.00 -1.10 0.00 0.00 60.65 59.14 2kfj s ILE 15 Cb 0.00 -2.63 -0.01 0.00 -1.06 0.00 0.00 42.46 38.76 2kfj s ILE 15 CO 0.00 0.43 0.02 -0.36 -0.10 0.00 0.00 174.94 174.93 2kfj s PHE 16 N 1.17 1.83 -0.04 3.97 0.08 0.53 -4.97 117.98 120.56 2kfj s PHE 16 Ca 0.02 -1.01 0.03 0.00 0.12 0.00 0.00 56.93 56.10 2kfj s PHE 16 Cb -0.14 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.75 2kfj s PHE 16 CO -0.00 0.16 -0.12 0.95 -0.10 0.00 0.00 175.22 176.11 2kfj s THR 17 N -2.92 1.03 -0.09 0.64 -4.23 -1.26 -1.26 115.64 107.55 2kfj s THR 17 Ca 0.06 -0.49 -0.00 0.00 -1.18 0.00 0.00 61.69 60.09 2kfj s THR 17 Cb 0.01 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 72.97 2kfj s THR 17 CO 0.04 0.31 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.15 2kfj s LEU 18 N 0.20 1.07 -0.37 4.79 1.98 0.74 -4.93 118.68 122.16 2kfj s LEU 18 Ca -0.04 -0.22 -0.18 0.00 -2.89 0.00 0.00 54.13 50.80 2kfj s LEU 18 Cb -0.10 -0.67 0.00 0.00 0.66 0.00 0.00 46.19 46.08 2kfj s LEU 18 CO 0.01 -0.12 0.53 -0.22 -1.89 0.00 0.00 176.35 174.66 2kfj s LEU 19 N 1.58 4.43 0.06 -0.68 1.98 -1.26 -0.90 118.68 123.88 2kfj s LEU 19 Ca 0.01 -0.15 0.04 0.00 -2.89 0.00 0.00 54.13 51.15 2kfj s LEU 19 Cb -0.13 -2.59 -0.04 0.00 0.66 0.00 0.00 46.19 44.09 2kfj s LEU 19 CO -0.05 -0.54 -0.03 0.54 -1.89 0.00 0.00 176.35 174.38 2kfj s VAL 20 N 2.44 3.87 0.85 1.68 0.11 -0.51 -4.96 120.40 123.87 2kfj s VAL 20 Ca 0.19 -0.94 -0.13 0.00 -2.93 0.00 0.00 61.98 58.17 2kfj s VAL 20 Cb -0.15 -2.79 0.11 0.00 -1.53 0.00 0.00 36.38 32.01 2kfj s VAL 20 CO 0.14 0.20 1.20 -1.61 -3.33 0.00 0.00 175.10 171.71 2kfj s GLU 21 N -2.02 1.63 -0.09 1.54 0.41 -1.26 -0.10 118.70 118.80 2kfj s GLU 21 Ca 0.23 0.02 0.10 0.00 -0.41 0.00 0.00 54.97 54.91 2kfj s GLU 21 Cb -0.11 -1.92 0.46 0.00 -1.78 0.00 0.00 34.13 30.77 2kfj s GLU 21 CO 0.14 -1.81 1.27 1.63 -0.49 0.00 0.00 175.26 176.01 2kfj n LYS 22 N -3.45 2.87 0.00 1.61 5.02 -0.72 -3.34 118.16 120.16 2kfj n LYS 22 Ca 0.09 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 2kfj n LYS 22 Cb 0.61 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.52 0.05 -3.06 -0.18 3.14 -1.26 -4.92 118.33 112.63 2kfj n VAL 23 Ca 0.16 -0.44 -0.45 0.00 -2.96 0.00 0.00 64.34 60.65 2kfj n VAL 23 Cb 0.66 1.13 -0.03 0.00 -1.06 0.00 0.00 33.84 34.54 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 -0.05 3.22 1.13 1.45 0.52 -1.21 -5.02 118.94 118.98 2kfj s TRP 24 Ca 0.00 -1.40 -0.17 0.00 0.02 0.00 0.00 56.10 54.56 2kfj s TRP 24 Cb 0.00 -4.11 0.21 0.00 -1.15 0.00 0.00 33.47 28.42 2kfj s TRP 24 CO 0.00 -1.34 0.42 0.27 0.02 0.00 0.00 176.95 176.32 2kfj n ASN 25 N 5.94 -3.13 -0.15 2.95 6.94 -1.26 -4.04 115.26 122.51 2kfj n ASN 25 Ca 0.13 -0.45 0.21 0.00 -0.02 0.00 0.00 54.58 54.45 2kfj n ASN 25 Cb 0.47 -0.86 0.61 0.00 -2.36 0.00 0.00 39.78 37.64 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 -2.81 0.26 0.26 -2.53 -0.00 -1.91 0.51 116.94 110.71 2kfj h PHE 26 Ca -0.33 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 57.63 2kfj h PHE 26 Cb 0.99 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 36.86 2kfj h PHE 26 CO -2.63 0.08 -0.12 0.22 -0.00 0.00 0.00 178.31 175.86 2kfj h ASP 27 N 0.21 -0.29 -0.34 -0.68 1.82 -1.92 -1.41 116.42 113.81 2kfj h ASP 27 Ca 0.38 0.01 0.10 0.00 -0.39 0.00 0.00 57.03 57.13 2kfj h ASP 27 Cb 1.19 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.26 2kfj h ASP 27 CO -0.08 -0.17 0.32 -0.78 -1.61 0.00 0.00 179.24 176.92 2kfj h ASP 28 N -0.44 0.00 -0.33 2.28 1.82 -1.71 0.18 116.42 118.22 2kfj h ASP 28 Ca -0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 2kfj h ASP 28 Cb 0.27 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 2kfj h ASP 28 CO 0.06 0.00 0.14 0.25 -1.61 0.00 0.00 179.24 178.08 2kfj h LEU 29 N 0.00 0.44 0.05 2.28 5.85 0.19 0.64 115.31 124.76 2kfj h LEU 29 Ca 0.16 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kfj h LEU 29 Cb 0.79 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2kfj h LEU 29 CO -0.00 0.48 -0.03 0.40 -0.34 0.00 0.00 178.44 178.95 2kfj h ILE 30 N 0.38 1.24 0.00 4.05 1.08 0.40 -2.61 117.51 122.06 2kfj h ILE 30 Ca 0.11 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 2kfj h ILE 30 Cb 0.17 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 2kfj h ILE 30 CO -0.01 0.26 0.00 0.24 -0.69 0.00 0.00 178.15 177.95 2kfj h MET 31 N -0.54 0.00 0.01 2.37 2.86 -0.98 0.16 114.93 118.81 2kfj h MET 31 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kfj h MET 31 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2kfj h MET 31 CO 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 177.98 2kfj h ALA 32 N 2.06 -0.02 -0.35 6.32 0.00 0.58 -3.18 119.26 124.67 2kfj h ALA 32 Ca 0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 2kfj h ALA 32 Cb 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kfj h ALA 32 CO 0.00 -0.11 -0.45 0.82 0.00 0.00 0.00 179.25 179.51 2kfj h ILE 33 N -0.82 1.27 -0.39 0.00 5.03 -1.04 -2.55 117.51 119.00 2kfj h ILE 33 Ca -0.00 -1.63 0.11 0.00 -0.12 0.00 0.00 64.86 63.23 2kfj h ILE 33 Cb 0.77 1.47 -0.02 0.00 -3.03 0.00 0.00 36.82 36.01 2kfj h ILE 33 CO 0.00 0.54 0.57 0.78 -0.68 0.00 0.00 178.15 179.37 2kfj h ASN 34 N 0.73 0.00 0.14 1.72 -0.26 -0.80 0.60 115.58 117.71 2kfj h ASN 34 Ca 0.04 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.53 2kfj h ASN 34 Cb 1.05 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.32 2kfj h ASN 34 CO 0.11 0.00 -1.22 0.28 -1.06 0.00 0.00 177.43 175.53 2kfj h SER 35 N 0.00 0.45 -0.48 5.81 0.02 -1.44 -2.45 113.55 115.47 2kfj h SER 35 Ca 0.19 -0.89 -0.02 0.00 -0.84 0.00 0.00 61.79 60.23 2kfj h SER 35 Cb 1.33 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 2kfj h SER 35 CO -0.00 1.55 0.25 0.11 -1.14 0.00 0.00 176.83 177.61 2kfj h LYS 36 N -0.28 0.71 0.00 3.45 6.56 0.16 0.10 116.57 127.26 2kfj h LYS 36 Ca -0.25 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.26 2kfj h LYS 36 Cb 1.76 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 33.28 2kfj h LYS 36 CO 0.11 0.54 -0.13 0.44 -2.06 0.00 0.00 179.45 178.35 2kfj n ILE 37 N -4.39 0.35 -0.06 1.86 -5.35 0.80 -3.63 119.36 108.95 2kfj n ILE 37 Ca 0.04 -0.18 0.24 0.00 -0.27 0.00 0.00 62.75 62.58 2kfj n ILE 37 Cb 0.12 -0.43 0.59 0.00 -1.74 0.00 0.00 39.64 38.18 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 -1.58 7.28 0.87 -0.28 0.13 113.55 119.97 2kfj h SER 38 Ca 0.00 0.00 0.51 0.00 -1.23 0.00 0.00 61.79 61.07 2kfj h SER 38 Cb 0.66 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.50 2kfj h SER 38 CO 0.00 0.00 1.07 -1.13 -0.53 0.00 0.00 176.83 176.24 2kfj h ASN 39 N 0.00 0.13 0.00 6.23 -1.24 -1.71 0.15 115.58 119.14 2kfj h ASN 39 Ca 0.34 0.10 -0.10 0.00 0.71 0.00 0.00 56.30 57.35 2kfj h ASN 39 Cb 2.02 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 41.16 2kfj h ASN 39 CO -0.00 -0.16 -0.77 0.71 -1.29 0.00 0.00 177.43 175.91 2kfj h THR 40 N 0.01 0.52 -4.89 -3.57 1.35 -1.05 -3.48 112.91 101.80 2kfj h THR 40 Ca 0.90 -1.61 -0.39 0.00 -0.55 0.00 0.00 66.41 64.76 2kfj h THR 40 Cb 3.14 1.21 0.09 0.00 -1.73 0.00 0.00 68.15 70.86 2kfj h THR 40 CO -0.30 0.18 -0.62 1.57 -0.25 0.00 0.00 175.52 176.10 2kfj n HIS 41 N -4.55 -2.28 0.00 4.73 -0.00 0.51 -4.83 115.22 108.80 2kfj n HIS 41 Ca -0.18 0.71 0.00 0.00 -0.00 0.00 0.00 57.72 58.25 2kfj n HIS 41 Cb 0.44 -4.61 0.00 0.00 -0.00 0.00 0.00 29.99 25.83 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 -4.67 0.00 -3.38 3.57 -5.35 -1.26 -5.02 119.36 103.25 2kfj n ILE 42 Ca -0.06 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.25 2kfj n ILE 42 Cb 0.59 -0.70 -0.09 0.00 -1.74 0.00 0.00 39.64 37.71 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2kfj s SER 43 N -4.42 1.38 0.22 7.28 0.15 -1.26 -5.15 113.70 111.91 2kfj s SER 43 Ca 0.00 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2kfj s SER 43 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2kfj s SER 43 CO 0.00 -0.32 0.00 -0.81 1.20 0.00 0.00 173.24 173.31 2kfj n PRO 44 N 4.78 0.67 -4.33 5.44 -0.04 -1.26 -5.05 135.00 135.22 2kfj n PRO 44 Ca 0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.22 2kfj n PRO 44 Cb 0.46 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.81 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 2.78 -0.10 0.52 -4.36 -1.26 -5.02 121.20 113.54 2kfj s ILE 45 Ca 0.00 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 58.76 2kfj s ILE 45 Cb 0.00 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.43 2kfj s ILE 45 CO 0.00 0.03 0.81 0.35 0.24 0.00 0.00 174.94 176.36 2kfj n THR 46 N 0.58 0.56 -3.65 8.37 -2.24 -1.26 -4.92 114.28 111.72 2kfj n THR 46 Ca -0.14 -0.78 -0.01 0.00 -2.27 0.00 0.00 64.05 60.84 2kfj n THR 46 Cb 0.54 0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.60 0.21 -0.17 -0.78 -2.85 -1.26 -4.98 119.74 109.30 2kfj s LYS 47 Ca 0.02 0.32 -0.01 0.00 -1.00 0.00 0.00 55.97 55.30 2kfj s LYS 47 Cb 0.01 0.06 -0.00 0.00 -2.06 0.00 0.00 37.83 35.84 2kfj s LYS 47 CO 0.01 -0.04 -0.13 0.96 0.10 0.00 0.00 175.35 176.26 2kfj s ILE 48 N 0.88 2.82 -0.31 3.79 -4.36 -1.18 -4.84 121.20 118.01 2kfj s ILE 48 Ca -0.05 -0.70 -0.23 0.00 -0.26 0.00 0.00 60.65 59.41 2kfj s ILE 48 Cb -0.03 -2.22 -0.00 0.00 1.25 0.00 0.00 42.46 41.46 2kfj s ILE 48 CO -0.12 0.50 0.77 -0.54 0.24 0.00 0.00 174.94 175.78 2kfj s LYS 49 N 0.98 3.95 -0.08 0.37 -0.14 -0.89 0.41 119.74 124.34 2kfj s LYS 49 Ca -0.02 0.54 -0.00 0.00 -1.36 0.00 0.00 55.97 55.13 2kfj s LYS 49 Cb -0.15 -3.73 -0.03 0.00 -1.68 0.00 0.00 37.83 32.24 2kfj s LYS 49 CO -0.02 -0.67 -0.04 1.52 -0.76 0.00 0.00 175.35 175.38 2kfj s TYR 50 N 2.91 3.02 0.32 3.18 1.13 0.04 -0.79 117.35 127.16 2kfj s TYR 50 Ca 0.31 0.06 -0.28 0.00 -1.41 0.00 0.00 57.07 55.75 2kfj s TYR 50 Cb -0.14 -1.75 -0.09 0.00 -1.10 0.00 0.00 41.96 38.87 2kfj s TYR 50 CO 0.13 0.35 1.13 -1.14 -2.51 0.00 0.00 175.55 173.51 2kfj s GLN 51 N -0.75 4.44 0.05 -3.49 0.74 -0.92 -0.24 119.66 119.50 2kfj s GLN 51 Ca 0.11 1.83 0.00 0.00 0.05 0.00 0.00 55.36 57.36 2kfj s GLN 51 Cb -0.11 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 31.00 2kfj s GLN 51 CO 0.02 0.02 0.03 -3.47 -0.55 0.00 0.00 175.29 171.34 2kfj n ASP 52 N 0.79 1.53 0.10 6.67 2.03 -0.35 -4.76 116.55 122.55 2kfj n ASP 52 Ca 0.01 -1.20 0.01 0.00 0.52 0.00 0.00 54.79 54.12 2kfj n ASP 52 Cb 0.45 0.01 0.33 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 0.26 0.00 -0.67 -0.00 -1.91 -0.92 114.58 111.34 2kfj h GLU 53 Ca -0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 2kfj h GLU 53 Cb 0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.85 2kfj h GLU 53 CO 0.06 0.46 0.00 -3.47 -0.00 0.00 0.00 179.01 176.06 2kfj n ASP 54 N -4.20 0.54 -0.57 3.06 2.03 -1.26 -4.82 116.55 111.33 2kfj n ASP 54 Ca -0.01 0.71 -0.02 0.00 0.52 0.00 0.00 54.79 55.99 2kfj n ASP 54 Cb 0.33 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 2kfj n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfj n GLY 55 N -0.84 0.71 3.04 0.27 0.00 -0.35 -5.06 105.19 102.95 2kfj n GLY 55 Ca -0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 0.72 -0.38 1.61 -1.08 -1.26 -4.90 116.67 108.39 2kfj s ASP 56 Ca 0.03 -0.49 -0.25 0.00 -0.52 0.00 0.00 52.55 51.32 2kfj s ASP 56 Cb -0.01 0.04 0.01 0.00 -1.46 0.00 0.00 42.92 41.50 2kfj s ASP 56 CO 0.04 -0.19 0.88 -0.36 0.52 0.00 0.00 175.17 176.05 2kfj s PHE 57 N -1.26 3.07 -0.15 -5.34 0.08 -1.26 -1.21 117.98 111.90 2kfj s PHE 57 Ca -0.10 0.66 -0.03 0.00 0.12 0.00 0.00 56.93 57.58 2kfj s PHE 57 Cb -0.09 -3.60 -0.03 0.00 -0.57 0.00 0.00 43.02 38.73 2kfj s PHE 57 CO 0.00 -0.82 -0.05 0.14 -0.10 0.00 0.00 175.22 174.39 2kfj s VAL 58 N 3.38 3.80 0.22 -0.44 -7.23 0.67 -4.76 120.40 116.04 2kfj s VAL 58 Ca 0.36 -0.39 -0.32 0.00 -1.81 0.00 0.00 61.98 59.82 2kfj s VAL 58 Cb -0.12 -2.66 -0.13 0.00 0.56 0.00 0.00 36.38 34.03 2kfj s VAL 58 CO 0.19 0.50 1.50 0.55 -0.31 0.00 0.00 175.10 177.52 2kfj n VAL 59 N 3.54 0.60 -4.61 1.32 3.14 -1.26 -0.78 118.33 120.27 2kfj n VAL 59 Ca -0.17 -0.15 -0.32 0.00 -2.96 0.00 0.00 64.34 60.73 2kfj n VAL 59 Cb 0.52 -1.57 -0.16 0.00 -1.06 0.00 0.00 33.84 31.57 2kfj n VAL 59 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2kfj s LEU 60 N 0.35 2.07 0.00 6.55 2.96 0.16 -4.86 118.68 125.91 2kfj s LEU 60 Ca 0.72 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 2kfj s LEU 60 Cb -0.64 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 44.64 2kfj s LEU 60 CO 0.45 0.07 0.64 0.61 -1.32 0.00 0.00 176.35 176.80 2kfj n GLY 61 N 4.12 0.17 3.24 7.98 0.00 -1.26 -3.08 105.19 116.35 2kfj n GLY 61 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.63 0.12 0.61 1.61 1.04 -1.26 -4.95 113.70 110.24 2kfj s SER 62 Ca 0.00 -0.76 0.39 0.00 0.48 0.00 0.00 55.95 56.06 2kfj s SER 62 Cb 0.00 0.36 1.88 0.00 0.10 0.00 0.00 66.02 68.36 2kfj s SER 62 CO 0.00 -0.77 2.17 -0.78 0.98 0.00 0.00 173.24 174.84 2kfj h ASP 63 N 2.71 0.00 0.17 7.02 3.58 -1.98 -0.20 116.42 127.73 2kfj h ASP 63 Ca -0.33 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 56.78 2kfj h ASP 63 Cb 1.20 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.26 2kfj h ASP 63 CO 0.54 0.00 -1.67 1.05 -2.88 0.00 0.00 179.24 176.29 2kfj h GLU 64 N 0.00 0.36 0.00 0.28 4.11 -1.98 -2.65 114.58 114.70 2kfj h GLU 64 Ca -0.00 -0.62 0.00 0.00 0.07 0.00 0.00 59.36 58.81 2kfj h GLU 64 Cb 0.27 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kfj h GLU 64 CO 0.00 1.30 0.00 -0.25 0.07 0.00 0.00 179.01 180.13 2kfj n ASP 65 N -3.68 0.00 -0.11 3.06 8.00 -0.87 -0.06 116.55 122.89 2kfj n ASP 65 Ca -0.25 -1.17 -0.17 0.00 0.71 0.00 0.00 54.79 53.92 2kfj n ASP 65 Cb 1.03 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 42.03 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 -0.91 0.00 0.10 1.24 -0.00 -0.14 -3.94 117.44 113.79 2kfj n TRP 66 Ca 0.20 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.46 2kfj n TRP 66 Cb 0.09 -0.87 -0.15 0.00 -0.00 0.00 0.00 31.31 30.38 2kfj n TRP 66 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 177.69 174.74 2kfj h ASN 67 N -0.08 0.70 0.44 5.87 7.08 -1.38 -2.96 115.58 125.27 2kfj h ASN 67 Ca -0.51 -0.93 0.00 0.00 -3.08 0.00 0.00 56.30 51.78 2kfj h ASN 67 Cb 1.76 -0.23 0.00 0.00 -2.08 0.00 0.00 38.32 37.77 2kfj h ASN 67 CO -0.10 1.70 0.00 0.52 -2.08 0.00 0.00 177.43 177.46 2kfj n VAL 68 N -3.74 0.93 0.02 6.14 0.31 0.91 -0.35 118.33 122.54 2kfj n VAL 68 Ca -0.20 0.42 -0.02 0.00 -0.01 0.00 0.00 64.34 64.53 2kfj n VAL 68 Cb 1.05 -1.38 -0.09 0.00 -0.91 0.00 0.00 33.84 32.51 2kfj n VAL 68 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfj h ALA 69 N 2.17 0.68 0.00 3.52 0.00 -1.67 -3.26 119.26 120.69 2kfj h ALA 69 Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 54.91 53.89 2kfj h ALA 69 Cb 0.22 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kfj h ALA 69 CO 0.00 1.07 -0.30 0.87 0.00 0.00 0.00 179.25 180.89 2kfj h LYS 70 N 0.00 0.00 -1.15 0.00 1.57 -0.89 -3.27 116.57 112.82 2kfj h LYS 70 Ca -0.19 0.00 0.33 0.00 -1.87 0.00 0.00 60.65 58.92 2kfj h LYS 70 Cb 1.68 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.93 2kfj h LYS 70 CO 0.06 0.45 0.80 0.93 -0.57 0.00 0.00 179.45 181.12 2kfj h GLU 71 N -1.00 0.11 -0.13 3.15 5.08 -0.89 0.29 114.58 121.19 2kfj h GLU 71 Ca -0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2kfj h GLU 71 Cb 0.60 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2kfj h GLU 71 CO -0.03 0.07 0.04 1.98 -1.00 0.00 0.00 179.01 180.07 2kfj h MET 72 N 0.11 0.21 -0.75 2.33 4.05 -1.66 -2.82 114.93 116.40 2kfj h MET 72 Ca 0.58 -0.04 0.15 0.00 -0.28 0.00 0.00 59.70 60.11 2kfj h MET 72 Cb 2.07 -0.03 -0.14 0.00 -0.80 0.00 0.00 31.60 32.70 2kfj h MET 72 CO -0.10 0.33 -0.20 -0.07 0.23 0.00 0.00 176.91 177.10 2kfj h LEU 73 N 0.04 -0.74 -0.98 3.39 3.38 -0.47 1.28 115.31 121.20 2kfj h LEU 73 Ca 0.04 0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.35 2kfj h LEU 73 Cb 0.21 0.48 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 2kfj h LEU 73 CO -0.00 -0.25 0.61 0.00 0.09 0.00 0.00 178.44 178.89 2kfj h ALA 74 N 1.70 1.44 0.00 1.53 0.00 -1.43 1.12 119.26 123.61 2kfj h ALA 74 Ca 0.35 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2kfj h ALA 74 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kfj h ALA 74 CO -0.77 0.25 -0.19 0.93 0.00 0.00 0.00 179.25 179.46 2kfj h GLU 75 N 1.00 0.00 0.00 0.00 4.39 0.15 -2.40 114.58 117.71 2kfj h GLU 75 Ca 0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.17 2kfj h GLU 75 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2kfj h GLU 75 CO -0.25 0.19 -0.63 0.09 -1.16 0.00 0.00 179.01 177.26 2kfj n ASN 76 N -3.29 0.60 -2.54 1.42 3.02 0.26 -4.94 115.26 109.80 2kfj n ASN 76 Ca 0.01 -0.37 -0.20 0.00 -0.03 0.00 0.00 54.58 53.99 2kfj n ASN 76 Cb 0.45 0.42 0.01 0.00 -0.61 0.00 0.00 39.78 40.05 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 -1.56 -5.79 -4.43 6.41 3.02 0.34 -4.98 115.26 108.28 2kfj n ASN 77 Ca 0.05 -0.14 -0.30 0.00 -0.03 0.00 0.00 54.58 54.16 2kfj n ASN 77 Cb 0.35 -4.72 -0.13 0.00 -0.61 0.00 0.00 39.78 34.67 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 -5.30 1.86 -0.37 3.52 -1.05 -0.72 -5.02 118.70 111.63 2kfj s GLU 78 Ca 0.14 -1.10 0.07 0.00 -0.15 0.00 0.00 54.97 53.93 2kfj s GLU 78 Cb -0.06 -2.09 0.61 0.00 -0.44 0.00 0.00 34.13 32.15 2kfj s GLU 78 CO 0.17 0.51 1.71 1.63 0.95 0.00 0.00 175.26 180.23 2kfj n LYS 79 N 1.39 2.24 -3.99 -4.83 4.76 -1.26 -4.45 118.16 112.02 2kfj n LYS 79 Ca -0.16 -3.09 -0.11 0.00 -2.87 0.00 0.00 58.31 52.08 2kfj n LYS 79 Cb 0.52 -2.03 -0.04 0.00 -1.84 0.00 0.00 35.03 31.65 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 -3.24 0.51 -0.16 2.13 -0.71 -1.26 -4.52 117.98 110.72 2kfj s PHE 80 Ca 0.51 -0.88 -0.16 0.00 -1.04 0.00 0.00 56.93 55.36 2kfj s PHE 80 Cb 0.44 0.22 0.04 0.00 -1.21 0.00 0.00 43.02 42.52 2kfj s PHE 80 CO 0.07 -1.12 0.46 -1.17 -1.34 0.00 0.00 175.22 172.11 2kfj s LEU 81 N -3.08 0.26 -0.08 -1.99 1.98 -0.92 -4.92 118.68 109.92 2kfj s LEU 81 Ca 0.23 0.89 -0.07 0.00 -2.89 0.00 0.00 54.13 52.29 2kfj s LEU 81 Cb -0.01 1.58 -0.04 0.00 0.66 0.00 0.00 46.19 48.37 2kfj s LEU 81 CO 0.12 -0.18 0.18 0.21 -1.89 0.00 0.00 176.35 174.79 2kfj s ASN 82 N 0.15 6.42 0.19 3.68 2.47 -1.26 -2.40 114.94 124.19 2kfj s ASN 82 Ca -0.01 0.49 0.07 0.00 0.42 0.00 0.00 52.86 53.82 2kfj s ASN 82 Cb -0.03 -2.07 -0.05 0.00 -1.45 0.00 0.00 41.25 37.65 2kfj s ASN 82 CO 0.01 0.36 -0.12 -0.63 -3.72 0.00 0.00 177.10 173.00 2kfj s ILE 83 N -1.11 1.54 0.03 -5.21 -1.09 0.10 -2.16 121.20 113.29 2kfj s ILE 83 Ca 0.19 -2.16 -0.09 0.00 -2.23 0.00 0.00 60.65 56.36 2kfj s ILE 83 Cb -0.13 -2.00 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 2kfj s ILE 83 CO 0.09 -0.63 0.19 -0.60 -1.23 0.00 0.00 174.94 172.76 2kfj s ARG 84 N -3.69 0.64 -0.00 2.79 3.52 0.03 -2.88 118.95 119.36 2kfj s ARG 84 Ca 0.21 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.29 2kfj s ARG 84 Cb 0.01 0.27 -0.00 0.00 -1.56 0.00 0.00 34.95 33.66 2kfj s ARG 84 CO 0.05 -0.18 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.82 2kfj s LEU 85 N -1.84 2.00 0.00 -0.88 2.01 0.19 -2.09 118.68 118.07 2kfj s LEU 85 Ca -0.08 -0.07 0.00 0.00 0.01 0.00 0.00 54.13 53.99 2kfj s LEU 85 Cb -0.03 -0.20 0.00 0.00 0.01 0.00 0.00 46.19 45.97 2kfj s LEU 85 CO -0.02 0.05 0.00 0.00 1.01 0.00 0.00 176.35 177.39