#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 4.19 0.00 1.53 2.34 -1.26 -4.78 118.68 120.71 2kfj s LEU 2 Ca 0.00 0.73 0.00 0.00 0.06 0.00 0.00 54.13 54.92 2kfj s LEU 2 Cb 0.00 -3.48 0.00 0.00 -0.56 0.00 0.00 46.19 42.15 2kfj s LEU 2 CO 0.00 -0.05 0.00 0.61 -1.06 0.00 0.00 176.35 175.85 2kfj n GLY 3 N -0.22 0.81 3.15 -3.48 0.00 -1.26 -5.01 105.19 99.17 2kfj n GLY 3 Ca -0.01 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.86 1.30 0.07 1.61 1.04 -1.26 -2.93 113.70 111.66 2kfj s SER 4 Ca 0.00 -0.74 0.06 0.00 0.48 0.00 0.00 55.95 55.74 2kfj s SER 4 Cb 0.00 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 2kfj s SER 4 CO 0.00 -0.25 -0.15 -0.63 0.98 0.00 0.00 173.24 173.19 2kfj s ILE 5 N -2.15 1.21 0.02 -1.02 1.01 -0.94 -4.94 121.20 114.40 2kfj s ILE 5 Ca 0.01 -1.26 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 2kfj s ILE 5 Cb -0.05 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2kfj s ILE 5 CO -0.00 -0.13 0.14 -0.22 0.00 0.00 0.00 174.94 174.73 2kfj s LEU 6 N -1.59 4.14 -0.11 2.97 1.98 -1.23 -0.99 118.68 123.84 2kfj s LEU 6 Ca 0.00 0.22 0.01 0.00 -2.89 0.00 0.00 54.13 51.47 2kfj s LEU 6 Cb -0.09 -2.56 0.02 0.00 0.66 0.00 0.00 46.19 44.22 2kfj s LEU 6 CO 0.02 0.23 -0.11 -0.36 -1.89 0.00 0.00 176.35 174.24 2kfj s PHE 7 N -1.33 1.70 -0.77 5.38 0.40 0.19 0.87 117.98 124.42 2kfj s PHE 7 Ca 0.28 -0.83 -0.11 0.00 -0.60 0.00 0.00 56.93 55.67 2kfj s PHE 7 Cb -0.12 -1.31 0.20 0.00 0.51 0.00 0.00 43.02 42.30 2kfj s PHE 7 CO 0.20 -0.50 0.68 1.03 0.70 0.00 0.00 175.22 177.33 2kfj s ARG 8 N 1.34 3.32 0.53 0.44 0.52 -0.89 0.13 118.95 124.35 2kfj s ARG 8 Ca -0.01 -2.49 -0.21 0.00 -0.52 0.00 0.00 55.73 52.50 2kfj s ARG 8 Cb -0.14 -4.23 -0.05 0.00 0.52 0.00 0.00 34.95 31.05 2kfj s ARG 8 CO -0.05 -1.26 1.22 0.42 0.02 0.00 0.00 175.30 175.65 2kfj s ILE 9 N 0.08 2.72 -0.23 1.52 1.09 0.71 -0.19 121.20 126.88 2kfj s ILE 9 Ca 0.18 0.50 -0.03 0.00 -1.10 0.00 0.00 60.65 60.19 2kfj s ILE 9 Cb -0.13 -3.23 0.13 0.00 -1.06 0.00 0.00 42.46 38.17 2kfj s ILE 9 CO -0.07 -0.05 0.38 -0.44 -0.10 0.00 0.00 174.94 174.66 2kfj s SER 10 N -1.39 0.20 0.32 3.58 0.01 0.20 0.58 113.70 117.19 2kfj s SER 10 Ca 0.71 0.33 0.03 0.00 1.31 0.00 0.00 55.95 58.33 2kfj s SER 10 Cb -0.31 1.12 -0.04 0.00 0.21 0.00 0.00 66.02 67.00 2kfj s SER 10 CO 0.36 -0.29 0.13 -0.47 0.41 0.00 0.00 173.24 173.39 2kfj s TYR 11 N 2.55 1.68 0.54 2.43 5.04 -0.84 0.19 117.35 128.93 2kfj s TYR 11 Ca 0.11 -1.28 0.45 0.00 -2.44 0.00 0.00 57.07 53.91 2kfj s TYR 11 Cb -0.15 -0.98 1.54 0.00 0.35 0.00 0.00 41.96 42.73 2kfj s TYR 11 CO -0.15 -0.39 1.45 -1.71 -1.34 0.00 0.00 175.55 173.41 2kfj n ASN 12 N -0.91 0.00 0.00 4.32 5.15 -1.26 -1.58 115.26 120.98 2kfj n ASN 12 Ca -0.01 0.91 0.00 0.00 -0.60 0.00 0.00 54.58 54.88 2kfj n ASN 12 Cb 0.65 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 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 -3.73 0.00 -1.68 1.20 2.88 -1.26 -5.06 113.62 105.98 2kfj n SER 13 Ca 0.40 0.20 -0.03 0.00 -1.33 0.00 0.00 58.87 58.11 2kfj n SER 13 Cb 1.86 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 65.33 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 -0.33 0.38 -3.67 -1.46 1.02 -0.62 -5.14 120.64 110.82 2kfj n GLU 14 Ca 0.00 -0.75 -0.38 0.00 -0.02 0.00 0.00 57.16 56.01 2kfj n GLU 14 Cb 0.00 0.95 -0.12 0.00 -0.02 0.00 0.00 31.44 32.25 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 -2.62 4.71 0.51 -3.67 1.09 -1.26 -1.99 121.20 117.97 2kfj s ILE 15 Ca 0.06 -0.16 0.01 0.00 -1.10 0.00 0.00 60.65 59.46 2kfj s ILE 15 Cb -0.02 -3.29 -0.01 0.00 -1.06 0.00 0.00 42.46 38.08 2kfj s ILE 15 CO 0.04 0.21 0.01 -0.36 -0.10 0.00 0.00 174.94 174.74 2kfj s PHE 16 N 1.66 1.84 0.14 3.97 0.08 0.20 -4.95 117.98 120.92 2kfj s PHE 16 Ca 0.06 -0.98 0.08 0.00 0.12 0.00 0.00 56.93 56.21 2kfj s PHE 16 Cb -0.16 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2kfj s PHE 16 CO 0.07 0.20 -0.19 0.95 -0.10 0.00 0.00 175.22 176.15 2kfj s THR 17 N -2.90 1.74 -0.23 0.64 -4.23 -1.26 -0.21 115.64 109.20 2kfj s THR 17 Ca 0.06 -1.79 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 2kfj s THR 17 Cb 0.01 -1.73 0.08 0.00 1.34 0.00 0.00 72.50 72.21 2kfj s THR 17 CO 0.03 -0.25 0.54 -0.22 -0.54 0.00 0.00 174.62 174.19 2kfj s LEU 18 N -2.42 -0.61 -0.33 4.79 0.20 0.35 -4.88 118.68 115.78 2kfj s LEU 18 Ca 0.12 1.22 -0.24 0.00 0.69 0.00 0.00 54.13 55.92 2kfj s LEU 18 Cb -0.07 1.85 0.01 0.00 -0.43 0.00 0.00 46.19 47.54 2kfj s LEU 18 CO 0.06 -0.22 0.83 -0.22 -0.29 0.00 0.00 176.35 176.50 2kfj s LEU 19 N 1.83 4.08 -0.24 -0.68 1.98 -1.26 0.56 118.68 124.95 2kfj s LEU 19 Ca -0.08 0.59 -0.01 0.00 -2.89 0.00 0.00 54.13 51.74 2kfj s LEU 19 Cb -0.08 -3.12 0.03 0.00 0.66 0.00 0.00 46.19 43.68 2kfj s LEU 19 CO -0.16 -0.70 -0.09 0.54 -1.89 0.00 0.00 176.35 174.04 2kfj s VAL 20 N 3.12 2.63 1.18 1.68 0.11 -0.16 -4.98 120.40 123.99 2kfj s VAL 20 Ca 0.34 -1.08 -0.14 0.00 -2.93 0.00 0.00 61.98 58.17 2kfj s VAL 20 Cb -0.13 -2.32 0.27 0.00 -1.53 0.00 0.00 36.38 32.67 2kfj s VAL 20 CO 0.15 0.24 0.85 -0.62 -3.33 0.00 0.00 175.10 172.39 2kfj n GLU 21 N 4.63 -2.46 -0.17 1.54 -0.58 -1.26 -2.21 120.64 120.14 2kfj n GLU 21 Ca -0.17 -0.69 0.04 0.00 -0.42 0.00 0.00 57.16 55.92 2kfj n GLU 21 Cb 0.47 -2.09 0.13 0.00 -0.57 0.00 0.00 31.44 29.38 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 -4.57 1.77 -0.00 3.49 5.02 -1.15 -3.11 118.16 119.61 2kfj n LYS 22 Ca 0.02 -1.04 0.04 0.00 -2.02 0.00 0.00 58.31 55.31 2kfj n LYS 22 Cb 0.55 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 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 0.32 0.00 -2.36 -0.18 3.14 -1.26 -4.85 118.33 113.14 2kfj n VAL 23 Ca 0.10 -0.25 -0.36 0.00 -2.96 0.00 0.00 64.34 60.87 2kfj n VAL 23 Cb 0.29 0.63 -0.03 0.00 -1.06 0.00 0.00 33.84 33.67 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 -2.21 2.30 1.09 1.45 0.52 -1.18 -4.96 118.94 115.96 2kfj s TRP 24 Ca -0.00 -0.41 -0.15 0.00 0.02 0.00 0.00 56.10 55.56 2kfj s TRP 24 Cb 0.06 -4.44 0.24 0.00 -1.15 0.00 0.00 33.47 28.17 2kfj s TRP 24 CO 0.35 -1.78 0.53 0.27 0.02 0.00 0.00 176.95 176.34 2kfj n ASN 25 N 10.87 -3.35 -0.34 2.95 6.94 -1.26 -3.79 115.26 127.28 2kfj n ASN 25 Ca 0.39 -0.54 0.19 0.00 -0.02 0.00 0.00 54.58 54.60 2kfj n ASN 25 Cb 0.48 -0.80 0.41 0.00 -2.36 0.00 0.00 39.78 37.51 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 -3.01 0.97 0.54 -2.53 -5.15 -1.92 0.74 116.94 106.57 2kfj h PHE 26 Ca -0.24 0.03 -0.03 0.00 -0.20 0.00 0.00 57.97 57.54 2kfj h PHE 26 Cb 0.82 -0.28 0.01 0.00 0.22 0.00 0.00 35.95 36.71 2kfj h PHE 26 CO 0.00 0.04 -0.26 0.22 -2.00 0.00 0.00 178.31 176.31 2kfj h ASP 27 N 0.53 -0.61 -0.27 -0.68 3.58 -1.94 -0.31 116.42 116.73 2kfj h ASP 27 Ca 0.65 0.02 0.08 0.00 0.42 0.00 0.00 57.03 58.20 2kfj h ASP 27 Cb 1.31 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.51 2kfj h ASP 27 CO -0.47 -0.38 0.37 0.44 -2.88 0.00 0.00 179.24 176.31 2kfj h ASP 28 N -0.83 0.00 0.07 2.28 3.45 -1.55 0.22 116.42 120.07 2kfj h ASP 28 Ca -0.07 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.38 2kfj h ASP 28 Cb 0.55 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 2kfj h ASP 28 CO 0.12 0.00 -0.04 0.25 -1.57 0.00 0.00 179.24 178.01 2kfj h LEU 29 N 0.00 -0.08 -0.70 1.55 5.85 0.91 0.44 115.31 123.27 2kfj h LEU 29 Ca 0.13 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 2kfj h LEU 29 Cb 0.86 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2kfj h LEU 29 CO -0.00 0.36 0.16 0.40 -0.34 0.00 0.00 178.44 179.02 2kfj h ILE 30 N -0.55 1.26 0.00 4.05 1.08 0.96 -1.84 117.51 122.47 2kfj h ILE 30 Ca -0.01 -0.98 -0.03 0.00 -0.39 0.00 0.00 64.86 63.44 2kfj h ILE 30 Cb 0.47 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.77 2kfj h ILE 30 CO 0.02 0.38 -0.16 0.24 -0.69 0.00 0.00 178.15 177.94 2kfj h MET 31 N 1.06 0.00 0.32 2.37 2.86 -0.67 0.11 114.93 120.97 2kfj h MET 31 Ca 0.22 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2kfj h MET 31 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2kfj h MET 31 CO 0.00 0.16 -0.15 0.00 1.06 0.00 0.00 176.91 177.98 2kfj h ALA 32 N 1.84 -0.64 -0.57 6.32 0.00 -0.07 -2.66 119.26 123.49 2kfj h ALA 32 Ca -0.00 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kfj h ALA 32 Cb 0.44 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2kfj h ALA 32 CO 0.02 -0.60 0.38 0.82 0.00 0.00 0.00 179.25 179.86 2kfj h ILE 33 N -0.71 1.04 0.00 0.00 5.03 -1.43 0.36 117.51 121.80 2kfj h ILE 33 Ca -0.04 -0.21 -0.00 0.00 -0.12 0.00 0.00 64.86 64.48 2kfj h ILE 33 Cb 0.32 0.37 -0.00 0.00 -3.03 0.00 0.00 36.82 34.48 2kfj h ILE 33 CO 0.07 0.11 -0.00 0.78 -0.68 0.00 0.00 178.15 178.43 2kfj h ASN 34 N 0.62 0.00 0.07 1.72 -0.26 -0.79 0.19 115.58 117.12 2kfj h ASN 34 Ca 0.23 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.83 2kfj h ASN 34 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 2kfj h ASN 34 CO -0.06 0.00 -0.70 -1.28 -1.06 0.00 0.00 177.43 174.32 2kfj h SER 35 N 0.00 0.22 -0.48 5.81 0.87 0.08 -0.52 113.55 119.52 2kfj h SER 35 Ca -0.00 -0.89 -0.05 0.00 -1.23 0.00 0.00 61.79 59.62 2kfj h SER 35 Cb 0.01 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2kfj h SER 35 CO 0.00 1.31 0.14 0.11 -0.53 0.00 0.00 176.83 177.86 2kfj h LYS 36 N -0.67 0.82 0.00 2.24 6.56 -0.98 -0.85 116.57 123.69 2kfj h LYS 36 Ca -0.15 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 2kfj h LYS 36 Cb 1.39 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 2kfj h LYS 36 CO 0.03 0.73 -0.30 0.44 -2.06 0.00 0.00 179.45 178.29 2kfj n ILE 37 N -4.28 0.31 -0.69 1.86 -5.35 0.57 -3.91 119.36 107.86 2kfj n ILE 37 Ca 0.04 -0.18 0.52 0.00 -0.27 0.00 0.00 62.75 62.86 2kfj n ILE 37 Cb 0.22 -0.27 0.80 0.00 -1.74 0.00 0.00 39.64 38.64 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 -1.95 0.00 -0.32 7.28 2.88 -0.20 0.51 113.62 121.82 2kfj n SER 38 Ca 0.05 0.97 0.04 0.00 -1.33 0.00 0.00 58.87 58.59 2kfj n SER 38 Cb 0.40 -0.48 0.11 0.00 -0.75 0.00 0.00 64.21 63.49 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 -3.30 -3.46 -1.24 -1.73 -3.37 115.58 101.58 2kfj h ASN 39 Ca 0.92 0.27 -0.53 0.00 0.71 0.00 0.00 56.30 57.67 2kfj h ASN 39 Cb 3.68 0.58 0.01 0.00 0.73 0.00 0.00 38.32 43.32 2kfj h ASN 39 CO -0.01 -0.30 0.55 0.42 -1.29 0.00 0.00 177.43 176.80 2kfj s THR 40 N -6.22 3.90 -0.34 -3.57 -4.23 0.18 -4.91 115.64 100.45 2kfj s THR 40 Ca -0.15 1.44 0.16 0.00 -1.18 0.00 0.00 61.69 61.95 2kfj s THR 40 Cb 0.24 -3.92 0.65 0.00 1.34 0.00 0.00 72.50 70.81 2kfj s THR 40 CO 0.76 0.15 1.56 1.41 -0.54 0.00 0.00 174.62 177.96 2kfj n HIS 41 N 3.43 1.39 0.06 3.99 8.25 -1.26 -4.38 115.22 126.70 2kfj n HIS 41 Ca 0.07 -0.78 -0.22 0.00 -0.26 0.00 0.00 57.72 56.53 2kfj n HIS 41 Cb 0.46 -0.37 -0.15 0.00 1.12 0.00 0.00 29.99 31.06 2kfj n HIS 41 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 2kfj h ILE 42 N 2.85 1.03 0.00 1.59 3.07 -1.93 -3.49 117.51 120.63 2kfj h ILE 42 Ca 0.00 -2.49 0.00 0.00 1.55 0.00 0.00 64.86 63.92 2kfj h ILE 42 Cb 1.61 2.80 0.00 0.00 -0.27 0.00 0.00 36.82 40.96 2kfj h ILE 42 CO 0.31 0.80 0.00 -1.54 -1.05 0.00 0.00 178.15 176.67 2kfj n SER 43 N -3.74 0.00 -3.03 2.16 3.41 -1.26 -5.17 113.62 105.98 2kfj n SER 43 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 2kfj n SER 43 Cb 1.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 2kfj n SER 43 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2kfj n PRO 44 N -1.01 0.67 -3.83 4.33 -0.04 -1.26 -5.01 135.00 128.85 2kfj n PRO 44 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2kfj n PRO 44 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 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 -0.01 -0.19 0.52 -5.25 -1.26 -5.04 121.20 109.75 2kfj s ILE 45 Ca 0.00 0.11 -0.06 0.00 -0.99 0.00 0.00 60.65 59.71 2kfj s ILE 45 Cb 0.00 -0.07 -0.21 0.00 2.95 0.00 0.00 42.46 45.13 2kfj s ILE 45 CO 0.00 0.06 0.08 1.07 -1.79 0.00 0.00 174.94 174.35 2kfj n THR 46 N 3.70 1.63 -3.22 8.37 5.66 -1.26 -4.85 114.28 124.31 2kfj n THR 46 Ca -0.21 -0.53 -0.39 0.00 -3.05 0.00 0.00 64.05 59.87 2kfj n THR 46 Cb 0.54 -1.67 -0.06 0.00 -1.55 0.00 0.00 70.33 67.59 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 -2.52 4.29 -0.04 1.09 -2.85 -1.26 -4.68 119.74 113.77 2kfj s LYS 47 Ca -0.29 0.72 0.02 0.00 -1.00 0.00 0.00 55.97 55.41 2kfj s LYS 47 Cb 0.08 -3.33 0.02 0.00 -2.06 0.00 0.00 37.83 32.54 2kfj s LYS 47 CO 0.67 0.40 -0.06 0.96 0.10 0.00 0.00 175.35 177.41 2kfj s ILE 48 N -0.29 0.64 -0.44 3.79 -4.36 -0.81 -4.89 121.20 114.83 2kfj s ILE 48 Ca 0.30 -0.22 -0.23 0.00 -0.26 0.00 0.00 60.65 60.25 2kfj s ILE 48 Cb -0.18 -0.62 0.02 0.00 1.25 0.00 0.00 42.46 42.93 2kfj s ILE 48 CO 0.17 0.23 0.76 -0.54 0.24 0.00 0.00 174.94 175.81 2kfj s LYS 49 N 0.66 3.40 -0.02 0.37 -0.14 -1.14 0.18 119.74 123.04 2kfj s LYS 49 Ca -0.10 -0.13 0.01 0.00 -1.36 0.00 0.00 55.97 54.39 2kfj s LYS 49 Cb -0.13 -3.94 -0.03 0.00 -1.68 0.00 0.00 37.83 32.05 2kfj s LYS 49 CO 0.01 -1.09 -0.01 1.52 -0.76 0.00 0.00 175.35 175.01 2kfj s TYR 50 N 3.20 3.05 0.44 3.18 1.13 0.12 -1.12 117.35 127.36 2kfj s TYR 50 Ca 0.29 0.08 -0.22 0.00 -1.41 0.00 0.00 57.07 55.81 2kfj s TYR 50 Cb -0.12 -1.69 -0.09 0.00 -1.10 0.00 0.00 41.96 38.96 2kfj s TYR 50 CO 0.22 0.44 1.02 -1.14 -2.51 0.00 0.00 175.55 173.58 2kfj s GLN 51 N -1.35 4.04 0.18 -3.49 0.74 -1.05 -0.31 119.66 118.43 2kfj s GLN 51 Ca 0.17 1.37 0.00 0.00 0.05 0.00 0.00 55.36 56.96 2kfj s GLN 51 Cb -0.11 -2.30 -0.00 0.00 1.10 0.00 0.00 33.01 31.69 2kfj s GLN 51 CO 0.08 -0.23 0.00 -0.40 -0.55 0.00 0.00 175.29 174.19 2kfj n ASP 52 N -0.51 2.48 -0.02 6.67 5.68 -0.25 -4.84 116.55 125.75 2kfj n ASP 52 Ca 0.07 -1.78 -0.10 0.00 -0.50 0.00 0.00 54.79 52.49 2kfj n ASP 52 Cb 0.52 0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.59 2kfj n ASP 52 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2kfj h GLU 53 N 0.00 0.11 -0.37 0.11 4.11 -1.91 0.11 114.58 116.74 2kfj h GLU 53 Ca -0.15 -0.01 0.11 0.00 0.07 0.00 0.00 59.36 59.38 2kfj h GLU 53 Cb 0.45 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2kfj h GLU 53 CO 0.24 0.07 0.59 0.22 0.07 0.00 0.00 179.01 180.21 2kfj h ASP 54 N 0.11 0.00 0.00 3.06 -0.00 -2.02 -3.44 116.42 114.14 2kfj h ASP 54 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.10 2kfj h ASP 54 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.38 2kfj h ASP 54 CO -0.08 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.77 2kfj n GLY 55 N -1.46 0.77 3.89 -0.78 0.00 0.03 -5.07 105.19 102.57 2kfj n GLY 55 Ca 0.07 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.13 5.84 -0.31 1.61 1.01 -1.26 -4.79 116.67 116.64 2kfj s ASP 56 Ca 0.00 -0.14 -0.15 0.00 0.71 0.00 0.00 52.55 52.97 2kfj s ASP 56 Cb 0.00 -1.53 -0.02 0.00 1.01 0.00 0.00 42.92 42.37 2kfj s ASP 56 CO 0.00 -0.10 0.38 -0.36 0.21 0.00 0.00 175.17 175.30 2kfj s PHE 57 N -2.09 3.22 0.01 4.23 0.08 -1.26 -1.09 117.98 121.08 2kfj s PHE 57 Ca 0.35 0.17 0.07 0.00 0.12 0.00 0.00 56.93 57.64 2kfj s PHE 57 Cb -0.08 -2.65 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 2kfj s PHE 57 CO 0.27 -0.36 -0.21 0.14 -0.10 0.00 0.00 175.22 174.96 2kfj s VAL 58 N 2.07 2.52 0.70 -0.44 -7.23 0.58 -4.84 120.40 113.75 2kfj s VAL 58 Ca 0.14 -1.13 -0.16 0.00 -1.81 0.00 0.00 61.98 59.01 2kfj s VAL 58 Cb -0.16 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.79 2kfj s VAL 58 CO 0.11 0.44 1.08 0.52 -0.31 0.00 0.00 175.10 176.95 2kfj n VAL 59 N 1.94 3.45 -3.63 1.32 0.31 -1.26 0.12 118.33 120.58 2kfj n VAL 59 Ca -0.16 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 63.65 2kfj n VAL 59 Cb 0.52 -1.22 -0.11 0.00 -0.91 0.00 0.00 33.84 32.11 2kfj n VAL 59 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2kfj s LEU 60 N -3.58 -0.46 0.00 7.52 2.96 0.47 -4.72 118.68 120.88 2kfj s LEU 60 Ca 0.76 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 55.39 2kfj s LEU 60 Cb -0.36 0.98 0.05 0.00 0.50 0.00 0.00 46.19 47.36 2kfj s LEU 60 CO 0.47 -0.24 0.94 0.61 -1.32 0.00 0.00 176.35 176.80 2kfj n GLY 61 N 5.37 0.65 3.42 7.98 0.00 -1.26 -1.93 105.19 119.42 2kfj n GLY 61 Ca -0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.23 1.61 0.01 -1.26 -5.00 113.70 108.34 2kfj s SER 62 Ca 0.04 -1.03 0.10 0.00 1.31 0.00 0.00 55.95 56.37 2kfj s SER 62 Cb 0.05 0.49 0.21 0.00 0.21 0.00 0.00 66.02 66.99 2kfj s SER 62 CO -0.02 -1.00 1.53 -2.24 0.41 0.00 0.00 173.24 171.92 2kfj h ASP 63 N 2.42 0.00 1.38 2.44 2.03 -1.96 0.11 116.42 122.84 2kfj h ASP 63 Ca -0.30 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2kfj h ASP 63 Cb 1.24 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2kfj h ASP 63 CO 0.43 0.71 0.00 -0.08 -1.03 0.00 0.00 179.24 179.28 2kfj h GLU 64 N 0.00 0.00 0.00 4.15 4.81 -1.97 0.46 114.58 122.03 2kfj h GLU 64 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kfj h GLU 64 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2kfj h GLU 64 CO 0.09 0.00 -1.72 -0.25 -0.73 0.00 0.00 179.01 176.40 2kfj n ASP 65 N -2.50 0.62 -0.00 1.04 8.00 -1.03 -2.76 116.55 119.92 2kfj n ASP 65 Ca 0.04 -0.16 0.03 0.00 0.71 0.00 0.00 54.79 55.42 2kfj n ASP 65 Cb 0.40 1.74 -0.12 0.00 -0.02 0.00 0.00 41.12 43.12 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 -2.05 0.39 -0.07 1.24 -0.00 0.34 -3.38 117.44 113.91 2kfj n TRP 66 Ca -0.02 0.12 -0.21 0.00 -0.00 0.00 0.00 57.50 57.39 2kfj n TRP 66 Cb 0.47 -0.83 -0.12 0.00 -0.00 0.00 0.00 31.31 30.83 2kfj n TRP 66 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 2kfj h ASN 67 N 0.00 0.11 0.05 5.87 -1.24 -0.25 -2.98 115.58 117.14 2kfj h ASN 67 Ca -0.17 -0.66 -0.01 0.00 0.71 0.00 0.00 56.30 56.17 2kfj h ASN 67 Cb 1.44 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 40.45 2kfj h ASN 67 CO 0.02 1.52 -0.04 0.58 -1.29 0.00 0.00 177.43 178.22 2kfj h VAL 68 N -0.75 0.86 0.03 2.57 2.07 -1.68 0.18 116.25 119.53 2kfj h VAL 68 Ca -0.32 -0.14 -0.22 0.00 0.82 0.00 0.00 66.70 66.84 2kfj h VAL 68 Cb 1.45 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2kfj h VAL 68 CO -0.11 0.04 -0.98 0.00 0.02 0.00 0.00 177.57 176.53 2kfj h ALA 69 N 1.96 0.39 0.35 1.67 0.00 -1.68 -3.06 119.26 118.89 2kfj h ALA 69 Ca -0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 2kfj h ALA 69 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kfj h ALA 69 CO 0.01 0.98 -0.17 0.87 0.00 0.00 0.00 179.25 180.94 2kfj h LYS 70 N 0.09 -0.45 -0.35 0.00 1.57 -0.82 -2.81 116.57 113.79 2kfj h LYS 70 Ca -0.06 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.85 2kfj h LYS 70 Cb 1.66 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 2kfj h LYS 70 CO 0.15 -0.17 0.63 1.05 -0.57 0.00 0.00 179.45 180.54 2kfj h GLU 71 N -1.02 0.00 0.04 3.15 4.11 -0.85 0.86 114.58 120.88 2kfj h GLU 71 Ca -0.05 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.12 2kfj h GLU 71 Cb 0.49 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.76 2kfj h GLU 71 CO 0.08 0.00 -1.09 1.98 0.07 0.00 0.00 179.01 180.05 2kfj h MET 72 N 0.00 0.59 -0.54 1.06 4.05 -1.41 -3.29 114.93 115.39 2kfj h MET 72 Ca 0.16 -0.69 0.10 0.00 -0.28 0.00 0.00 59.70 59.00 2kfj h MET 72 Cb 1.42 0.21 -0.11 0.00 -0.80 0.00 0.00 31.60 32.31 2kfj h MET 72 CO -0.00 1.28 -0.26 -0.07 0.23 0.00 0.00 176.91 178.09 2kfj h LEU 73 N 0.31 -0.91 -2.00 3.39 3.38 0.10 1.54 115.31 121.12 2kfj h LEU 73 Ca -0.13 0.20 0.16 0.00 0.09 0.00 0.00 57.88 58.20 2kfj h LEU 73 Cb 1.74 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 42.95 2kfj h LEU 73 CO 0.20 -0.27 0.41 0.00 0.09 0.00 0.00 178.44 178.88 2kfj h ALA 74 N 1.17 2.51 0.00 1.53 0.00 -1.62 0.57 119.26 123.42 2kfj h ALA 74 Ca 0.24 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 2kfj h ALA 74 Cb 0.51 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2kfj h ALA 74 CO -0.62 -0.70 -1.06 0.93 0.00 0.00 0.00 179.25 177.79 2kfj h GLU 75 N 0.00 0.00 -0.51 0.00 5.08 0.16 -3.17 114.58 116.14 2kfj h GLU 75 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2kfj h GLU 75 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2kfj h GLU 75 CO -0.00 0.66 0.00 0.09 -1.00 0.00 0.00 179.01 178.75 2kfj n ASN 76 N -3.19 2.30 -3.08 1.42 3.02 0.31 -4.86 115.26 111.18 2kfj n ASN 76 Ca -0.04 -2.15 -0.13 0.00 -0.03 0.00 0.00 54.58 52.23 2kfj n ASN 76 Cb 0.89 -0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.42 -1.35 -3.95 6.41 3.02 -0.10 -4.86 115.26 114.86 2kfj n ASN 77 Ca 0.12 -0.01 -0.27 0.00 -0.03 0.00 0.00 54.58 54.39 2kfj n ASN 77 Cb 0.43 -1.26 -0.17 0.00 -0.61 0.00 0.00 39.78 38.17 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 -5.65 1.74 0.00 3.52 -1.05 -0.88 -4.98 118.70 111.41 2kfj s GLU 78 Ca 0.24 -0.35 0.19 0.00 -0.15 0.00 0.00 54.97 54.90 2kfj s GLU 78 Cb -0.14 -1.69 0.75 0.00 -0.44 0.00 0.00 34.13 32.60 2kfj s GLU 78 CO 0.30 -0.22 1.53 1.17 0.95 0.00 0.00 175.26 178.98 2kfj n LYS 79 N 4.76 1.58 -4.29 -4.83 3.00 -1.26 -4.41 118.16 112.70 2kfj n LYS 79 Ca -0.15 -0.87 -0.26 0.00 -0.00 0.00 0.00 58.31 57.03 2kfj n LYS 79 Cb 0.50 -1.35 -0.09 0.00 0.00 0.00 0.00 35.03 34.09 2kfj n LYS 79 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 2kfj s PHE 80 N -1.81 2.64 0.27 5.64 -0.12 -1.26 -3.58 117.98 119.76 2kfj s PHE 80 Ca 0.29 -0.22 0.05 0.00 -0.05 0.00 0.00 56.93 57.01 2kfj s PHE 80 Cb 0.15 -1.27 -0.06 0.00 -0.63 0.00 0.00 43.02 41.22 2kfj s PHE 80 CO 0.23 0.54 -0.02 -1.17 -0.05 0.00 0.00 175.22 174.75 2kfj s LEU 81 N -2.98 2.36 -0.01 -1.99 0.20 0.25 -4.87 118.68 111.64 2kfj s LEU 81 Ca 0.26 -1.23 0.01 0.00 0.69 0.00 0.00 54.13 53.86 2kfj s LEU 81 Cb -0.08 -0.49 0.01 0.00 -0.43 0.00 0.00 46.19 45.19 2kfj s LEU 81 CO 0.16 -0.43 -0.03 0.21 -0.29 0.00 0.00 176.35 175.96 2kfj s ASN 82 N -3.41 0.53 0.03 3.68 2.47 -1.26 -2.08 114.94 114.89 2kfj s ASN 82 Ca 0.30 -0.07 0.03 0.00 0.42 0.00 0.00 52.86 53.54 2kfj s ASN 82 Cb 0.05 -0.13 -0.02 0.00 -1.45 0.00 0.00 41.25 39.70 2kfj s ASN 82 CO 0.11 0.01 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.78 2kfj s ILE 83 N 0.24 0.75 -0.03 -5.21 -1.09 0.73 -2.51 121.20 114.07 2kfj s ILE 83 Ca -0.02 -0.80 -0.01 0.00 -2.23 0.00 0.00 60.65 57.59 2kfj s ILE 83 Cb -0.06 -0.71 0.03 0.00 -1.58 0.00 0.00 42.46 40.15 2kfj s ILE 83 CO -0.00 -0.07 0.04 0.00 -1.23 0.00 0.00 174.94 173.68 2kfj s ARG 84 N -0.96 -0.01 0.08 2.79 1.70 -0.27 0.58 118.95 122.85 2kfj s ARG 84 Ca -0.02 0.29 -0.01 0.00 -0.47 0.00 0.00 55.73 55.52 2kfj s ARG 84 Cb -0.07 -0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 33.82 2kfj s ARG 84 CO 0.01 -0.27 0.25 -0.51 -1.08 0.00 0.00 175.30 173.70 2kfj s LEU 85 N 1.76 4.34 0.00 -1.89 2.01 0.50 -2.89 118.68 122.51 2kfj s LEU 85 Ca -0.00 0.36 0.00 0.00 0.01 0.00 0.00 54.13 54.50 2kfj s LEU 85 Cb -0.12 -3.04 0.00 0.00 0.01 0.00 0.00 46.19 43.04 2kfj s LEU 85 CO -0.03 0.14 0.40 0.00 1.01 0.00 0.00 176.35 177.87