#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 -6.19 1.53 3.38 -2.04 -3.37 115.31 108.62 2kfj h LEU 2 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 2kfj h LEU 2 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 2kfj h LEU 2 CO 0.00 0.08 2.70 0.61 0.09 0.00 0.00 178.44 181.92 2kfj n GLY 3 N 1.12 4.54 3.74 0.83 0.00 -1.26 -4.85 105.19 109.31 2kfj n GLY 3 Ca 0.04 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 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 2.31 0.21 0.33 1.61 0.01 -1.26 -4.28 113.70 112.63 2kfj s SER 4 Ca 0.44 -1.21 0.10 0.00 1.31 0.00 0.00 55.95 56.59 2kfj s SER 4 Cb 0.12 0.81 -0.06 0.00 0.21 0.00 0.00 66.02 67.10 2kfj s SER 4 CO -0.05 -1.59 -0.08 -0.63 0.41 0.00 0.00 173.24 171.30 2kfj s ILE 5 N -2.53 2.41 0.07 1.44 1.01 0.53 -4.96 121.20 119.17 2kfj s ILE 5 Ca 0.19 -2.17 0.09 0.00 0.00 0.00 0.00 60.65 58.76 2kfj s ILE 5 Cb -0.04 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 2kfj s ILE 5 CO 0.13 -0.23 -0.23 -0.22 0.00 0.00 0.00 174.94 174.39 2kfj s LEU 6 N -3.62 2.23 -0.11 2.97 1.98 -1.26 -0.78 118.68 120.08 2kfj s LEU 6 Ca 0.33 -0.62 -0.02 0.00 -2.89 0.00 0.00 54.13 50.92 2kfj s LEU 6 Cb 0.00 -1.05 0.04 0.00 0.66 0.00 0.00 46.19 45.84 2kfj s LEU 6 CO 0.17 0.16 0.03 -0.36 -1.89 0.00 0.00 176.35 174.46 2kfj s PHE 7 N -0.94 0.59 -0.67 5.38 0.08 -0.65 -0.99 117.98 120.77 2kfj s PHE 7 Ca 0.09 -0.28 -0.05 0.00 0.12 0.00 0.00 56.93 56.81 2kfj s PHE 7 Cb -0.10 -0.79 -0.03 0.00 -0.57 0.00 0.00 43.02 41.54 2kfj s PHE 7 CO 0.03 -0.40 2.92 2.89 -0.10 0.00 0.00 175.22 180.57 2kfj n ARG 8 N 5.17 2.95 -1.38 0.44 1.85 -1.15 -0.37 116.66 124.16 2kfj n ARG 8 Ca -0.07 -2.25 -0.57 0.00 -1.00 0.00 0.00 57.85 53.96 2kfj n ARG 8 Cb 0.49 -2.29 -0.10 0.00 -1.05 0.00 0.00 32.46 29.51 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 1.78 0.08 -4.49 8.89 5.41 0.51 -3.95 119.36 127.59 2kfj n ILE 9 Ca 0.54 -0.09 -0.34 0.00 1.00 0.00 0.00 62.75 63.87 2kfj n ILE 9 Cb 0.54 -0.92 -0.10 0.00 -0.71 0.00 0.00 39.64 38.44 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 6.05 4.87 0.29 4.38 0.15 -1.11 0.11 113.70 128.44 2kfj s SER 10 Ca 1.14 0.01 0.01 0.00 0.70 0.00 0.00 55.95 57.81 2kfj s SER 10 Cb -1.26 -1.27 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2kfj s SER 10 CO 0.62 0.35 0.31 -0.47 1.20 0.00 0.00 173.24 175.24 2kfj s TYR 11 N -0.89 1.28 0.54 3.44 5.04 0.41 0.15 117.35 127.32 2kfj s TYR 11 Ca 0.14 -1.40 0.46 0.00 -2.44 0.00 0.00 57.07 53.83 2kfj s TYR 11 Cb -0.11 -0.42 1.59 0.00 0.35 0.00 0.00 41.96 43.36 2kfj s TYR 11 CO 0.03 -0.89 1.47 -1.71 -1.34 0.00 0.00 175.55 173.12 2kfj n ASN 12 N -1.04 0.00 0.00 4.32 5.15 -1.26 -1.03 115.26 121.41 2kfj n ASN 12 Ca 0.03 0.93 0.00 0.00 -0.60 0.00 0.00 54.58 54.95 2kfj n ASN 12 Cb 0.63 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 2kfj n ASN 12 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2kfj n SER 13 N -3.77 0.00 0.00 1.20 2.88 -1.26 -5.08 113.62 107.59 2kfj n SER 13 Ca 0.41 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 2kfj n SER 13 Cb 1.90 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 65.17 2kfj n SER 13 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2kfj n GLU 14 N -1.07 0.00 -3.35 -1.46 0.28 -0.19 -5.14 120.64 109.69 2kfj n GLU 14 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 2kfj n GLU 14 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 2kfj n GLU 14 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2kfj s ILE 15 N -2.36 5.05 -0.06 3.84 -1.09 -1.26 -0.44 121.20 124.87 2kfj s ILE 15 Ca 0.00 0.98 0.02 0.00 -2.23 0.00 0.00 60.65 59.42 2kfj s ILE 15 Cb 0.00 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 2kfj s ILE 15 CO 0.00 0.44 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.69 2kfj s PHE 16 N -0.20 1.30 -0.18 3.97 0.08 0.29 -4.94 117.98 118.31 2kfj s PHE 16 Ca 0.26 -0.46 -0.13 0.00 0.12 0.00 0.00 56.93 56.72 2kfj s PHE 16 Cb -0.16 -0.98 -0.05 0.00 -0.57 0.00 0.00 43.02 41.26 2kfj s PHE 16 CO 0.13 -0.26 0.26 0.95 -0.10 0.00 0.00 175.22 176.21 2kfj s THR 17 N 0.71 5.32 -0.07 0.64 -4.23 -1.25 0.19 115.64 116.95 2kfj s THR 17 Ca -0.14 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 2kfj s THR 17 Cb -0.16 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.11 2kfj s THR 17 CO 0.03 0.38 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.21 2kfj s LEU 18 N 0.60 1.20 -0.39 4.79 0.20 0.50 -4.94 118.68 120.64 2kfj s LEU 18 Ca 0.14 -0.21 -0.28 0.00 0.69 0.00 0.00 54.13 54.47 2kfj s LEU 18 Cb -0.13 -0.64 0.02 0.00 -0.43 0.00 0.00 46.19 45.01 2kfj s LEU 18 CO 0.03 -0.08 1.07 -0.22 -0.29 0.00 0.00 176.35 176.86 2kfj s LEU 19 N 1.32 3.83 -0.08 -0.68 1.98 -1.26 -1.63 118.68 122.15 2kfj s LEU 19 Ca -0.04 0.73 -0.02 0.00 -2.89 0.00 0.00 54.13 51.91 2kfj s LEU 19 Cb -0.14 -3.49 -0.03 0.00 0.66 0.00 0.00 46.19 43.19 2kfj s LEU 19 CO -0.03 -1.02 0.01 0.54 -1.89 0.00 0.00 176.35 173.96 2kfj s VAL 20 N 3.94 4.39 0.63 1.68 0.11 0.04 -4.98 120.40 126.20 2kfj s VAL 20 Ca 0.45 -0.23 -0.10 0.00 -2.93 0.00 0.00 61.98 59.17 2kfj s VAL 20 Cb -0.10 -2.85 -0.02 0.00 -1.53 0.00 0.00 36.38 31.87 2kfj s VAL 20 CO 0.22 0.60 1.01 -1.61 -3.33 0.00 0.00 175.10 171.99 2kfj s GLU 21 N -0.92 3.36 -0.06 1.54 2.02 -1.26 -0.35 118.70 123.03 2kfj s GLU 21 Ca 0.14 0.57 0.09 0.00 0.02 0.00 0.00 54.97 55.78 2kfj s GLU 21 Cb -0.11 -2.11 0.35 0.00 0.10 0.00 0.00 34.13 32.36 2kfj s GLU 21 CO 0.03 -0.66 1.18 1.63 0.02 0.00 0.00 175.26 177.45 2kfj n LYS 22 N -2.75 2.32 -0.03 1.61 5.02 -1.26 -3.63 118.16 119.44 2kfj n LYS 22 Ca 0.06 -1.37 -0.04 0.00 -2.02 0.00 0.00 58.31 54.93 2kfj n LYS 22 Cb 0.55 -1.56 -0.03 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 0.41 0.36 -1.56 -0.18 3.14 -1.26 -4.94 118.33 114.30 2kfj n VAL 23 Ca 0.12 -0.16 -0.41 0.00 -2.96 0.00 0.00 64.34 60.94 2kfj n VAL 23 Cb 0.49 -0.76 -0.04 0.00 -1.06 0.00 0.00 33.84 32.47 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 -2.55 1.65 -0.43 1.45 8.01 -1.24 -4.92 117.44 119.41 2kfj n TRP 24 Ca -0.10 0.04 -0.27 0.00 -1.31 0.00 0.00 57.50 55.85 2kfj n TRP 24 Cb 0.63 -2.66 0.25 0.00 -2.01 0.00 0.00 31.31 27.52 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 13.31 -3.37 -0.30 -0.99 6.94 -1.26 -4.28 115.26 125.31 2kfj n ASN 25 Ca 0.35 -0.87 0.21 0.00 -0.02 0.00 0.00 54.58 54.26 2kfj n ASN 25 Cb 0.45 -0.88 0.49 0.00 -2.36 0.00 0.00 39.78 37.49 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 -3.21 0.65 0.00 -2.53 -5.15 -1.91 0.32 116.94 105.11 2kfj h PHE 26 Ca -0.35 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.44 2kfj h PHE 26 Cb 1.15 -0.19 0.00 0.00 0.22 0.00 0.00 35.95 37.13 2kfj h PHE 26 CO 0.00 0.11 0.00 -3.47 -2.00 0.00 0.00 178.31 172.95 2kfj n ASP 27 N -4.59 0.00 -0.52 -0.68 2.03 -1.26 -2.19 116.55 109.34 2kfj n ASP 27 Ca 0.23 0.68 0.42 0.00 0.52 0.00 0.00 54.79 56.64 2kfj n ASP 27 Cb 0.79 -0.35 0.72 0.00 -0.72 0.00 0.00 41.12 41.57 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 0.13 0.20 1.67 5.19 -1.79 1.04 116.42 122.87 2kfj h ASP 28 Ca 0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2kfj h ASP 28 Cb 0.00 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 2kfj h ASP 28 CO 0.00 -0.08 -0.19 0.25 -3.12 0.00 0.00 179.24 176.09 2kfj h LEU 29 N 0.05 -0.51 -0.05 1.55 5.85 -0.28 0.36 115.31 122.28 2kfj h LEU 29 Ca 0.82 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.61 2kfj h LEU 29 Cb 2.94 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 44.11 2kfj h LEU 29 CO -0.21 -0.29 -0.09 0.40 -0.34 0.00 0.00 178.44 177.91 2kfj h ILE 30 N -0.42 0.75 -0.17 4.05 1.08 0.16 -0.20 117.51 122.75 2kfj h ILE 30 Ca -0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 2kfj h ILE 30 Cb 0.39 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 2kfj h ILE 30 CO -0.04 0.00 0.16 0.24 -0.69 0.00 0.00 178.15 177.82 2kfj h MET 31 N -0.13 0.00 0.38 2.37 2.86 -1.00 0.46 114.93 119.87 2kfj h MET 31 Ca 0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2kfj h MET 31 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2kfj h MET 31 CO -0.13 0.00 -0.18 0.00 1.06 0.00 0.00 176.91 177.65 2kfj h ALA 32 N 1.84 -0.51 -0.57 6.32 0.00 0.16 -0.03 119.26 126.47 2kfj h ALA 32 Ca 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2kfj h ALA 32 Cb 0.41 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2kfj h ALA 32 CO -0.00 -0.68 0.25 0.82 0.00 0.00 0.00 179.25 179.64 2kfj h ILE 33 N -0.73 1.21 0.00 0.00 5.03 -0.86 0.25 117.51 122.41 2kfj h ILE 33 Ca -0.05 -0.63 0.00 0.00 -0.12 0.00 0.00 64.86 64.05 2kfj h ILE 33 Cb 0.51 0.58 0.00 0.00 -3.03 0.00 0.00 36.82 34.87 2kfj h ILE 33 CO 0.09 0.25 0.00 0.78 -0.68 0.00 0.00 178.15 178.59 2kfj h ASN 34 N 0.77 0.00 0.08 1.72 -0.26 -0.85 0.15 115.58 117.19 2kfj h ASN 34 Ca 0.19 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.68 2kfj h ASN 34 Cb 0.16 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 2kfj h ASN 34 CO -0.02 0.00 -1.35 -1.28 -1.06 0.00 0.00 177.43 173.72 2kfj h SER 35 N 0.00 0.25 -0.26 5.81 0.87 0.99 -2.08 113.55 119.14 2kfj h SER 35 Ca 0.00 -0.78 -0.03 0.00 -1.23 0.00 0.00 61.79 59.75 2kfj h SER 35 Cb 0.10 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2kfj h SER 35 CO 0.00 1.57 0.03 0.11 -0.53 0.00 0.00 176.83 178.01 2kfj h LYS 36 N -0.50 0.44 0.00 2.24 6.56 -0.30 -2.15 116.57 122.86 2kfj h LYS 36 Ca -0.31 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2kfj h LYS 36 Cb 1.62 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 33.23 2kfj h LYS 36 CO -0.02 0.57 0.00 -0.84 -2.06 0.00 0.00 179.45 177.11 2kfj h ILE 37 N 0.24 0.00 -1.55 1.86 3.07 -0.92 -3.24 117.51 116.97 2kfj h ILE 37 Ca 0.08 -0.44 0.50 0.00 1.55 0.00 0.00 64.86 66.55 2kfj h ILE 37 Cb 0.35 1.35 -0.12 0.00 -0.27 0.00 0.00 36.82 38.14 2kfj h ILE 37 CO 0.01 0.00 1.05 -0.24 -1.05 0.00 0.00 178.15 177.91 2kfj n SER 38 N -2.39 0.14 -0.31 2.16 2.88 -0.78 0.74 113.62 116.05 2kfj n SER 38 Ca 0.04 1.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2kfj n SER 38 Cb 0.36 -0.61 0.07 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.07 0.28 -3.46 -1.24 -1.72 -1.51 115.58 106.86 2kfj h ASN 39 Ca 0.89 0.27 -0.01 0.00 0.71 0.00 0.00 56.30 58.15 2kfj h ASN 39 Cb 3.10 0.61 -0.00 0.00 0.73 0.00 0.00 38.32 42.76 2kfj h ASN 39 CO -0.31 -0.29 -0.19 0.71 -1.29 0.00 0.00 177.43 176.06 2kfj h THR 40 N -0.03 0.00 -2.10 -3.57 1.35 0.01 -3.46 112.91 105.10 2kfj h THR 40 Ca 0.36 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.92 2kfj h THR 40 Cb 0.61 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.01 2kfj h THR 40 CO -0.88 0.00 -0.38 1.41 -0.25 0.00 0.00 175.52 175.42 2kfj n HIS 41 N -3.42 -0.70 -0.04 4.73 8.25 -0.57 -4.86 115.22 118.61 2kfj n HIS 41 Ca -0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.36 2kfj n HIS 41 Cb 0.19 -3.11 -0.05 0.00 1.12 0.00 0.00 29.99 28.14 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 -4.00 0.49 -2.93 1.59 -6.64 -1.26 -4.99 119.36 101.62 2kfj n ILE 42 Ca -0.18 -0.24 0.03 0.00 -1.77 0.00 0.00 62.75 60.59 2kfj n ILE 42 Cb 0.63 -0.81 0.00 0.00 -1.44 0.00 0.00 39.64 38.02 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2kfj s SER 43 N -4.35 -0.38 0.22 7.28 0.15 -1.26 -5.17 113.70 110.19 2kfj s SER 43 Ca -0.08 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2kfj s SER 43 Cb 0.03 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 2kfj s SER 43 CO 0.24 -0.05 0.00 -0.81 1.20 0.00 0.00 173.24 173.82 2kfj n PRO 44 N 4.25 0.67 -3.43 5.44 -0.04 -1.26 -5.09 135.00 135.53 2kfj n PRO 44 Ca 0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 2kfj n PRO 44 Cb 0.61 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.70 -0.33 0.52 -5.25 -1.26 -5.02 121.20 108.94 2kfj s ILE 45 Ca 0.00 0.02 0.01 0.00 -0.99 0.00 0.00 60.65 59.68 2kfj s ILE 45 Cb 0.00 -0.81 0.33 0.00 2.95 0.00 0.00 42.46 44.93 2kfj s ILE 45 CO 0.00 -0.04 1.78 0.35 -1.79 0.00 0.00 174.94 175.24 2kfj n THR 46 N 5.39 2.62 -3.40 8.37 -2.24 -1.26 -4.64 114.28 119.11 2kfj n THR 46 Ca -0.05 -1.52 -0.01 0.00 -2.27 0.00 0.00 64.05 60.20 2kfj n THR 46 Cb 0.50 -1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.07 0.50 -0.16 -0.78 -2.85 -1.26 -4.89 119.74 108.22 2kfj s LYS 47 Ca 0.35 1.07 -0.04 0.00 -1.00 0.00 0.00 55.97 56.36 2kfj s LYS 47 Cb 0.29 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.49 2kfj s LYS 47 CO 0.03 -0.45 -0.04 0.96 0.10 0.00 0.00 175.35 175.95 2kfj s ILE 48 N 2.79 3.83 -0.53 3.79 -4.36 -1.16 -4.92 121.20 120.63 2kfj s ILE 48 Ca 0.08 -0.38 -0.18 0.00 -0.26 0.00 0.00 60.65 59.91 2kfj s ILE 48 Cb -0.14 -2.68 0.08 0.00 1.25 0.00 0.00 42.46 40.97 2kfj s ILE 48 CO -0.18 0.48 0.62 -0.75 0.24 0.00 0.00 174.94 175.35 2kfj s LYS 49 N 0.49 3.07 0.09 0.37 2.20 -1.16 0.11 119.74 124.90 2kfj s LYS 49 Ca -0.03 -1.12 -0.07 0.00 -0.36 0.00 0.00 55.97 54.39 2kfj s LYS 49 Cb -0.14 -4.16 -0.05 0.00 -1.51 0.00 0.00 37.83 31.96 2kfj s LYS 49 CO 0.03 -1.30 0.36 1.52 -0.36 0.00 0.00 175.35 175.59 2kfj s TYR 50 N 2.48 3.54 0.54 4.03 1.13 0.83 -0.23 117.35 129.67 2kfj s TYR 50 Ca 0.12 0.64 -0.18 0.00 -1.41 0.00 0.00 57.07 56.24 2kfj s TYR 50 Cb -0.22 -2.05 -0.06 0.00 -1.10 0.00 0.00 41.96 38.53 2kfj s TYR 50 CO 0.09 0.51 1.06 -1.14 -2.51 0.00 0.00 175.55 173.56 2kfj s GLN 51 N -2.18 3.51 0.42 -3.49 0.74 -0.92 -1.02 119.66 116.73 2kfj s GLN 51 Ca 0.35 1.32 0.03 0.00 0.05 0.00 0.00 55.36 57.11 2kfj s GLN 51 Cb -0.13 -2.05 0.03 0.00 1.10 0.00 0.00 33.01 31.95 2kfj s GLN 51 CO 0.20 -0.66 0.23 -0.40 -0.55 0.00 0.00 175.29 174.11 2kfj n ASP 52 N -1.51 2.56 -0.05 6.67 5.75 -0.10 -4.83 116.55 125.05 2kfj n ASP 52 Ca 0.09 -2.55 -0.11 0.00 -0.01 0.00 0.00 54.79 52.21 2kfj n ASP 52 Cb 0.52 0.05 -0.05 0.00 -1.03 0.00 0.00 41.12 40.61 2kfj n ASP 52 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2kfj h GLU 53 N 0.00 0.28 -1.15 0.11 4.11 -1.96 -2.20 114.58 113.78 2kfj h GLU 53 Ca -0.29 -0.07 0.33 0.00 0.07 0.00 0.00 59.36 59.40 2kfj h GLU 53 Cb 0.99 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 2kfj h GLU 53 CO 0.46 0.43 0.92 0.22 0.07 0.00 0.00 179.01 181.10 2kfj h ASP 54 N 0.09 0.00 0.00 3.06 -0.00 -2.04 -3.43 116.42 114.10 2kfj h ASP 54 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.08 2kfj h ASP 54 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.61 2kfj h ASP 54 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.85 2kfj n GLY 55 N -1.74 1.06 2.83 -0.78 0.00 -0.83 -5.10 105.19 100.63 2kfj n GLY 55 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 2kfj n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kfj n ASP 56 N 0.00 1.90 -4.62 1.61 4.64 -1.26 -4.85 116.55 113.97 2kfj n ASP 56 Ca 0.00 -2.25 -0.34 0.00 -1.38 0.00 0.00 54.79 50.82 2kfj n ASP 56 Cb 0.00 -0.18 -0.11 0.00 -1.04 0.00 0.00 41.12 39.79 2kfj n ASP 56 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2kfj s PHE 57 N -1.81 3.03 -0.01 -0.67 0.08 -1.26 -0.92 117.98 116.43 2kfj s PHE 57 Ca 0.34 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.47 2kfj s PHE 57 Cb -0.03 -1.76 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 2kfj s PHE 57 CO 0.22 0.37 -0.01 0.14 -0.10 0.00 0.00 175.22 175.83 2kfj s VAL 58 N -0.77 0.15 0.38 -0.44 -7.23 -0.19 -4.95 120.40 107.36 2kfj s VAL 58 Ca 0.12 -0.05 -0.26 0.00 -1.81 0.00 0.00 61.98 59.98 2kfj s VAL 58 Cb -0.11 -0.15 -0.09 0.00 0.56 0.00 0.00 36.38 36.59 2kfj s VAL 58 CO 0.02 0.06 1.21 -0.69 -0.31 0.00 0.00 175.10 175.39 2kfj s VAL 59 N 0.13 2.99 -0.28 1.32 1.01 -1.26 -0.12 120.40 124.19 2kfj s VAL 59 Ca -0.01 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.85 2kfj s VAL 59 Cb -0.03 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 32.92 2kfj s VAL 59 CO -0.00 0.12 0.02 -0.22 0.00 0.00 0.00 175.10 175.02 2kfj s LEU 60 N -2.31 2.95 0.00 3.92 2.96 0.30 -4.82 118.68 121.68 2kfj s LEU 60 Ca 0.55 -1.55 0.04 0.00 -0.22 0.00 0.00 54.13 52.95 2kfj s LEU 60 Cb -0.34 -1.17 0.06 0.00 0.50 0.00 0.00 46.19 45.24 2kfj s LEU 60 CO 0.43 -0.33 0.94 0.61 -1.32 0.00 0.00 176.35 176.68 2kfj n GLY 61 N 4.64 0.66 3.47 7.98 0.00 -1.26 -3.01 105.19 117.66 2kfj n GLY 61 Ca -0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.96 0.65 0.24 1.61 0.01 -1.26 -4.91 113.70 109.09 2kfj s SER 62 Ca 0.05 -1.37 0.10 0.00 1.31 0.00 0.00 55.95 56.04 2kfj s SER 62 Cb 0.05 0.61 0.24 0.00 0.21 0.00 0.00 66.02 67.13 2kfj s SER 62 CO -0.02 -1.20 1.54 -2.24 0.41 0.00 0.00 173.24 171.72 2kfj h ASP 63 N 2.20 0.00 -0.39 2.44 3.04 -1.95 -0.41 116.42 121.35 2kfj h ASP 63 Ca -0.29 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.40 2kfj h ASP 63 Cb 1.24 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.52 2kfj h ASP 63 CO 0.40 0.69 -0.13 -0.08 -2.04 0.00 0.00 179.24 178.07 2kfj h GLU 64 N 0.00 0.85 0.00 4.15 4.81 -1.97 1.44 114.58 123.86 2kfj h GLU 64 Ca -0.01 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2kfj h GLU 64 Cb 1.25 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2kfj h GLU 64 CO 0.09 0.93 -0.47 -0.25 -0.73 0.00 0.00 179.01 178.57 2kfj n ASP 65 N -4.15 0.68 0.04 1.04 8.00 -1.16 -0.07 116.55 120.93 2kfj n ASP 65 Ca 0.01 0.19 0.11 0.00 0.71 0.00 0.00 54.79 55.82 2kfj n ASP 65 Cb 0.39 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.07 0.40 -0.13 1.24 -0.00 -0.17 -3.15 117.44 113.56 2kfj n TRP 66 Ca 0.04 0.12 -0.27 0.00 -0.00 0.00 0.00 57.50 57.39 2kfj n TRP 66 Cb 0.43 -0.66 -0.11 0.00 -0.00 0.00 0.00 31.31 30.97 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 -2.37 1.96 0.20 5.87 3.02 0.49 -3.84 115.26 120.59 2kfj n ASN 67 Ca -0.02 0.26 0.05 0.00 -0.03 0.00 0.00 54.58 54.85 2kfj n ASN 67 Cb 0.54 -0.77 0.51 0.00 -0.61 0.00 0.00 39.78 39.46 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 -0.79 1.11 0.00 2.41 2.07 -0.65 0.26 116.25 120.66 2kfj h VAL 68 Ca -0.63 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 2kfj h VAL 68 Cb 1.64 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2kfj h VAL 68 CO -0.32 0.14 -0.02 0.00 0.02 0.00 0.00 177.57 177.39 2kfj h ALA 69 N 1.83 1.00 0.00 1.67 0.00 -1.71 -2.43 119.26 119.61 2kfj h ALA 69 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2kfj h ALA 69 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kfj h ALA 69 CO 0.02 0.03 -0.61 0.87 0.00 0.00 0.00 179.25 179.55 2kfj h LYS 70 N 0.00 0.00 -1.05 0.00 1.57 -0.89 -3.30 116.57 112.90 2kfj h LYS 70 Ca -0.00 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.08 2kfj h LYS 70 Cb 0.69 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 2kfj h LYS 70 CO 0.00 0.34 0.75 1.05 -0.57 0.00 0.00 179.45 181.02 2kfj h GLU 71 N -1.00 0.05 -0.24 3.15 4.11 -0.68 0.26 114.58 120.24 2kfj h GLU 71 Ca -0.10 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.30 2kfj h GLU 71 Cb 0.69 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2kfj h GLU 71 CO -0.06 0.04 0.05 1.98 0.07 0.00 0.00 179.01 181.08 2kfj h MET 72 N 0.06 0.39 -0.84 1.06 4.05 -1.57 -2.53 114.93 115.54 2kfj h MET 72 Ca 0.51 -0.10 0.21 0.00 -0.28 0.00 0.00 59.70 60.04 2kfj h MET 72 Cb 1.94 -0.05 -0.14 0.00 -0.80 0.00 0.00 31.60 32.55 2kfj h MET 72 CO -0.04 0.51 0.16 -0.07 0.23 0.00 0.00 176.91 177.70 2kfj h LEU 73 N 0.20 -0.11 -1.01 3.39 3.38 -0.55 1.56 115.31 122.17 2kfj h LEU 73 Ca 0.07 0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 2kfj h LEU 73 Cb 0.31 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2kfj h LEU 73 CO 0.00 -0.16 0.09 0.00 0.09 0.00 0.00 178.44 178.46 2kfj h ALA 74 N 1.75 1.19 0.00 1.53 0.00 -1.44 0.94 119.26 123.24 2kfj h ALA 74 Ca 0.50 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2kfj h ALA 74 Cb 0.97 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kfj h ALA 74 CO -0.66 0.54 -0.12 0.93 0.00 0.00 0.00 179.25 179.95 2kfj h GLU 75 N 0.76 0.00 0.00 0.00 4.39 0.21 -2.76 114.58 117.18 2kfj h GLU 75 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2kfj h GLU 75 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2kfj h GLU 75 CO 0.00 0.12 -1.13 0.09 -1.16 0.00 0.00 179.01 176.94 2kfj n ASN 76 N -3.19 0.61 -2.68 1.42 5.03 0.40 -4.96 115.26 111.89 2kfj n ASN 76 Ca 0.02 -0.34 -0.21 0.00 0.87 0.00 0.00 54.58 54.92 2kfj n ASN 76 Cb 0.46 0.97 0.02 0.00 -1.02 0.00 0.00 39.78 40.21 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 -1.89 -5.81 -4.80 6.41 3.02 0.32 -4.99 115.26 107.52 2kfj n ASN 77 Ca 0.02 -0.21 -0.22 0.00 -0.03 0.00 0.00 54.58 54.14 2kfj n ASN 77 Cb 0.43 -4.68 -0.05 0.00 -0.61 0.00 0.00 39.78 34.87 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 -5.47 2.43 -0.07 3.52 -1.05 -0.63 -5.03 118.70 112.41 2kfj s GLU 78 Ca 0.21 -1.60 0.11 0.00 -0.15 0.00 0.00 54.97 53.54 2kfj s GLU 78 Cb -0.09 -2.23 0.16 0.00 -0.44 0.00 0.00 34.13 31.53 2kfj s GLU 78 CO 0.26 -0.07 1.05 1.63 0.95 0.00 0.00 175.26 179.09 2kfj n LYS 79 N -1.35 1.08 -4.13 -4.83 4.76 -1.26 -4.66 118.16 107.77 2kfj n LYS 79 Ca 0.00 -1.91 -0.10 0.00 -2.87 0.00 0.00 58.31 53.42 2kfj n LYS 79 Cb 0.62 -1.12 -0.09 0.00 -1.84 0.00 0.00 35.03 32.60 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 -1.73 0.86 0.01 2.13 -0.71 -1.26 -4.37 117.98 112.90 2kfj s PHE 80 Ca 0.18 -1.18 -0.06 0.00 -1.04 0.00 0.00 56.93 54.83 2kfj s PHE 80 Cb 0.16 -0.41 -0.00 0.00 -1.21 0.00 0.00 43.02 41.55 2kfj s PHE 80 CO 0.02 -0.61 0.11 -1.17 -1.34 0.00 0.00 175.22 172.23 2kfj s LEU 81 N -3.07 1.68 0.05 -1.99 1.98 -0.17 -4.87 118.68 112.30 2kfj s LEU 81 Ca 0.27 -0.29 0.03 0.00 -2.89 0.00 0.00 54.13 51.25 2kfj s LEU 81 Cb 0.06 0.59 -0.04 0.00 0.66 0.00 0.00 46.19 47.46 2kfj s LEU 81 CO 0.05 -0.38 0.03 0.21 -1.89 0.00 0.00 176.35 174.37 2kfj s ASN 82 N -1.49 5.26 0.06 3.68 2.47 -1.26 -2.95 114.94 120.71 2kfj s ASN 82 Ca -0.14 -0.05 0.01 0.00 0.42 0.00 0.00 52.86 53.10 2kfj s ASN 82 Cb -0.07 -1.36 -0.04 0.00 -1.45 0.00 0.00 41.25 38.33 2kfj s ASN 82 CO 0.01 0.21 -0.05 -0.63 -3.72 0.00 0.00 177.10 172.92 2kfj s ILE 83 N -1.26 0.45 0.05 -5.21 -1.09 -1.26 -2.16 121.20 110.72 2kfj s ILE 83 Ca 0.25 -1.63 0.04 0.00 -2.23 0.00 0.00 60.65 57.08 2kfj s ILE 83 Cb -0.12 -1.28 -0.02 0.00 -1.58 0.00 0.00 42.46 39.46 2kfj s ILE 83 CO 0.17 -0.79 -0.11 -0.60 -1.23 0.00 0.00 174.94 172.38 2kfj s ARG 84 N -3.19 0.72 -0.04 2.79 3.52 0.68 -2.73 118.95 120.69 2kfj s ARG 84 Ca 0.03 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 54.84 2kfj s ARG 84 Cb 0.02 -0.64 0.03 0.00 -1.56 0.00 0.00 34.95 32.79 2kfj s ARG 84 CO -0.05 0.15 0.06 -0.51 -0.81 0.00 0.00 175.30 174.13 2kfj s LEU 85 N -1.40 0.32 0.00 -0.88 1.43 0.39 -2.99 118.68 115.55 2kfj s LEU 85 Ca -0.03 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 2kfj s LEU 85 Cb -0.09 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 46.02 2kfj s LEU 85 CO 0.01 -0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.37