#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfp s ASN 2 N 0.00 5.48 0.17 6.12 0.02 -1.26 -4.78 114.94 120.69 2kfp s ASN 2 Ca 0.00 0.05 -0.13 0.00 -1.02 0.00 0.00 52.86 51.77 2kfp s ASN 2 Cb 0.00 -1.07 0.07 0.00 0.02 0.00 0.00 41.25 40.27 2kfp s ASN 2 CO 0.00 -0.97 1.77 -0.09 0.02 0.00 0.00 177.10 177.83 2kfp h ARG 3 N 0.22 0.83 -0.49 -0.60 2.43 -2.00 -1.90 114.38 112.87 2kfp h ARG 3 Ca -0.43 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 58.54 2kfp h ARG 3 Cb 1.28 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 2kfp h ARG 3 CO 0.53 0.66 -0.03 0.37 -1.51 0.00 0.00 179.97 179.99 2kfp h GLN 4 N 0.79 0.84 -0.58 0.20 5.75 -2.00 -2.43 115.11 117.68 2kfp h GLN 4 Ca 0.20 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 2kfp h GLN 4 Cb 0.09 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 2kfp h GLN 4 CO -0.03 0.86 0.19 1.96 -2.65 0.00 0.00 178.83 179.16 2kfp h GLN 5 N 0.77 0.90 -0.41 1.69 1.08 -1.85 -0.87 115.11 116.42 2kfp h GLN 5 Ca 0.14 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2kfp h GLN 5 Cb 0.51 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2kfp h GLN 5 CO 0.03 0.80 0.21 0.35 -0.95 0.00 0.00 178.83 179.27 2kfp h PHE 6 N 0.82 0.57 -0.48 2.96 3.04 -1.12 0.10 116.94 122.83 2kfp h PHE 6 Ca 0.19 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.08 2kfp h PHE 6 Cb 0.27 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 2kfp h PHE 6 CO 0.02 0.45 0.16 0.82 -2.02 0.00 0.00 178.31 177.74 2kfp h ILE 7 N 0.52 1.22 -0.52 1.41 2.04 -1.22 -2.15 117.51 118.81 2kfp h ILE 7 Ca 0.14 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 2kfp h ILE 7 Cb 0.08 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2kfp h ILE 7 CO -0.02 0.27 0.02 -0.78 0.00 0.00 0.00 178.15 177.63 2kfp h ASP 8 N 0.64 0.83 -0.15 1.72 3.58 -0.91 -0.77 116.42 121.35 2kfp h ASP 8 Ca 0.16 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2kfp h ASP 8 Cb 0.25 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2kfp h ASP 8 CO -0.01 0.88 0.10 0.22 -2.88 0.00 0.00 179.24 177.55 2kfp h TYR 9 N 0.80 0.19 -0.04 0.28 3.20 -0.44 -1.32 116.97 119.64 2kfp h TYR 9 Ca 0.16 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2kfp h TYR 9 Cb 0.46 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2kfp h TYR 9 CO 0.03 0.12 -0.31 0.00 -1.64 0.00 0.00 178.16 176.36 2kfp h ALA 10 N 1.06 1.41 -0.56 1.82 0.00 -1.19 -2.51 119.26 119.29 2kfp h ALA 10 Ca 0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2kfp h ALA 10 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2kfp h ALA 10 CO -0.01 0.43 0.14 0.37 0.00 0.00 0.00 179.25 180.17 2kfp h GLN 11 N 0.07 0.89 -0.29 0.00 4.15 -0.22 0.82 115.11 120.53 2kfp h GLN 11 Ca 0.01 -0.21 -0.13 0.00 0.77 0.00 0.00 58.65 59.08 2kfp h GLN 11 Cb 0.58 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2kfp h GLN 11 CO 0.04 0.83 -0.36 0.87 -1.93 0.00 0.00 178.83 178.29 2kfp h LYS 12 N 0.79 0.66 0.00 1.69 1.57 -1.01 2.67 116.57 122.95 2kfp h LYS 12 Ca 0.18 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2kfp h LYS 12 Cb 0.34 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2kfp h LYS 12 CO 0.00 0.92 -0.51 1.63 -0.57 0.00 0.00 179.45 180.93 2kfp n LYS 13 N -4.05 0.14 0.00 3.15 4.76 -0.97 -4.54 118.16 116.65 2kfp n LYS 13 Ca -0.01 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2kfp n LYS 13 Cb 0.50 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 2kfp n LYS 13 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2kfp n TYR 14 N -1.80 0.00 -3.08 2.13 4.01 0.28 -5.02 117.16 113.69 2kfp n TYR 14 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 2kfp n TYR 14 Cb 0.39 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.43 2kfp n TYR 14 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2kfp n ASP 15 N -0.11 -4.93 -4.68 7.72 2.03 0.90 -4.94 116.55 112.55 2kfp n ASP 15 Ca 0.00 -0.27 -0.35 0.00 0.52 0.00 0.00 54.79 54.69 2kfp n ASP 15 Cb 0.00 -4.03 -0.09 0.00 -0.72 0.00 0.00 41.12 36.28 2kfp n ASP 15 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kfp s THR 16 N -3.02 5.07 0.43 5.18 2.01 -1.26 -4.99 115.64 119.06 2kfp s THR 16 Ca 0.30 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.29 2kfp s THR 16 Cb -0.15 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 2kfp s THR 16 CO 0.37 0.45 0.76 -0.54 -0.69 0.00 0.00 174.62 174.97 2kfp s LYS 17 N 0.34 3.68 0.31 4.92 1.02 -1.26 -4.71 119.74 124.04 2kfp s LYS 17 Ca 0.05 0.34 -0.28 0.00 0.02 0.00 0.00 55.97 56.10 2kfp s LYS 17 Cb -0.12 -2.40 -0.13 0.00 -0.52 0.00 0.00 37.83 34.66 2kfp s LYS 17 CO -0.01 -0.08 1.08 -2.30 -0.92 0.00 0.00 175.35 173.12 2kfp n PRO 18 N -1.63 1.55 -5.25 -1.68 -0.02 -1.26 -4.87 135.00 121.84 2kfp n PRO 18 Ca 0.01 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 2kfp n PRO 18 Cb 0.54 -1.97 -0.16 0.00 -0.02 0.00 0.00 33.50 31.89 2kfp n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kfp s ASP 19 N -0.50 2.92 -0.56 2.55 1.01 -0.69 -4.80 116.67 116.59 2kfp s ASP 19 Ca 0.58 -0.45 0.04 0.00 0.71 0.00 0.00 52.55 53.43 2kfp s ASP 19 Cb -0.66 -0.35 0.15 0.00 1.01 0.00 0.00 42.92 43.06 2kfp s ASP 19 CO 0.60 0.30 0.34 -1.00 0.21 0.00 0.00 175.17 175.63 2kfp s HIS 20 N -0.56 2.99 0.28 4.23 3.76 -1.26 -1.33 115.29 123.40 2kfp s HIS 20 Ca 0.09 -3.05 0.00 0.00 -0.15 0.00 0.00 55.06 51.95 2kfp s HIS 20 Cb -0.10 -2.51 0.51 0.00 1.11 0.00 0.00 32.58 31.60 2kfp s HIS 20 CO -0.01 -0.68 1.87 -1.35 -0.85 0.00 0.00 174.74 173.72 2kfp h PRO 21 N 6.10 1.03 -5.54 8.40 0.11 -1.95 -3.40 132.00 136.75 2kfp h PRO 21 Ca 0.03 -0.06 -0.60 0.00 0.11 0.00 0.00 66.00 65.48 2kfp h PRO 21 Cb 0.85 -0.23 -0.09 0.00 0.11 0.00 0.00 31.00 31.63 2kfp h PRO 21 CO 0.64 0.68 -0.33 -1.58 -0.21 0.00 0.00 178.00 177.20 2kfp s TRP 22 N -5.96 3.49 0.16 0.65 0.51 -1.26 -4.98 118.94 111.55 2kfp s TRP 22 Ca -0.12 0.62 -0.04 0.00 -2.12 0.00 0.00 56.10 54.44 2kfp s TRP 22 Cb 0.21 -2.30 0.01 0.00 -0.81 0.00 0.00 33.47 30.58 2kfp s TRP 22 CO 0.81 0.32 1.40 1.05 -0.51 0.00 0.00 176.95 180.02 2kfp h GLU 23 N 6.36 0.49 -0.02 4.98 9.09 -2.04 -3.10 114.58 130.34 2kfp h GLU 23 Ca -0.43 -0.40 0.00 0.00 0.05 0.00 0.00 59.36 58.58 2kfp h GLU 23 Cb 1.17 0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 2kfp h GLU 23 CO 0.73 1.03 0.00 1.63 0.05 0.00 0.00 179.01 182.45 2kfp n LYS 24 N -3.86 0.40 -3.07 1.06 5.02 -1.26 -3.63 118.16 112.82 2kfp n LYS 24 Ca -0.05 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 2kfp n LYS 24 Cb 0.72 -1.01 -0.03 0.00 -0.02 0.00 0.00 35.03 34.69 2kfp n LYS 24 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2kfp n PHE 25 N -0.46 -1.04 0.27 2.13 3.01 -1.17 -4.95 117.46 115.26 2kfp n PHE 25 Ca 0.00 -3.15 0.17 0.00 1.01 0.00 0.00 57.45 55.48 2kfp n PHE 25 Cb 0.00 0.16 0.67 0.00 -0.01 0.00 0.00 39.48 40.31 2kfp n PHE 25 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2kfp h PRO 26 N 3.73 0.00 -0.00 -1.08 0.13 -1.77 -2.45 132.00 130.55 2kfp h PRO 26 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2kfp h PRO 26 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kfp h PRO 26 CO 0.42 0.02 -0.10 -0.25 -0.23 0.00 0.00 178.00 177.86 2kfp n ASP 27 N -3.12 0.54 -4.87 1.44 8.00 -1.26 -4.85 116.55 112.43 2kfp n ASP 27 Ca 0.01 -0.68 -0.32 0.00 0.71 0.00 0.00 54.79 54.51 2kfp n ASP 27 Cb 0.31 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.31 2kfp n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2kfp s TYR 28 N -2.41 3.41 -0.05 1.24 1.51 -0.93 -4.82 117.35 115.30 2kfp s TYR 28 Ca 0.31 1.01 0.03 0.00 -1.01 0.00 0.00 57.07 57.41 2kfp s TYR 28 Cb 0.20 -2.38 0.01 0.00 -0.11 0.00 0.00 41.96 39.68 2kfp s TYR 28 CO 0.46 0.15 -0.13 0.00 -1.11 0.00 0.00 175.55 174.92 2kfp s ALA 29 N -1.96 1.25 -0.10 3.71 0.00 -0.95 -4.67 121.76 119.04 2kfp s ALA 29 Ca 0.50 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.02 2kfp s ALA 29 Cb -0.11 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.52 2kfp s ALA 29 CO 0.21 0.16 -0.16 0.08 0.00 0.00 0.00 175.76 176.05 2kfp s VAL 30 N 0.41 1.51 -0.23 0.00 1.01 -0.44 -1.89 120.40 120.78 2kfp s VAL 30 Ca -0.10 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2kfp s VAL 30 Cb -0.13 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2kfp s VAL 30 CO 0.03 0.44 -0.02 -0.36 0.00 0.00 0.00 175.10 175.19 2kfp s PHE 31 N 0.82 2.99 -0.04 5.22 0.08 -1.10 -1.71 117.98 124.25 2kfp s PHE 31 Ca -0.10 -0.90 -0.02 0.00 0.12 0.00 0.00 56.93 56.03 2kfp s PHE 31 Cb -0.16 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2kfp s PHE 31 CO 0.01 -0.53 0.09 -0.98 -0.10 0.00 0.00 175.22 173.71 2kfp s ARG 32 N 1.49 0.06 -0.22 0.44 1.70 -1.26 -3.92 118.95 117.25 2kfp s ARG 32 Ca 0.05 0.20 -0.10 0.00 -0.47 0.00 0.00 55.73 55.41 2kfp s ARG 32 Cb -0.15 -0.08 -0.05 0.00 -0.57 0.00 0.00 34.95 34.10 2kfp s ARG 32 CO -0.02 -0.09 0.14 -1.01 -1.08 0.00 0.00 175.30 173.24 2kfp s HIS 33 N 0.58 3.36 0.23 5.89 3.76 -1.26 -4.88 115.29 122.96 2kfp s HIS 33 Ca -0.04 0.27 0.23 0.00 -0.15 0.00 0.00 55.06 55.36 2kfp s HIS 33 Cb -0.06 -2.21 0.98 0.00 1.11 0.00 0.00 32.58 32.39 2kfp s HIS 33 CO -0.02 0.17 1.86 0.66 -0.85 0.00 0.00 174.74 176.56 2kfp h SER 34 N 7.09 0.00 0.65 1.40 4.64 -1.97 0.60 113.55 125.97 2kfp h SER 34 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2kfp h SER 34 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2kfp h SER 34 CO 0.71 0.25 0.00 0.47 -0.87 0.00 0.00 176.83 177.38 2kfp n ASP 35 N -3.53 0.00 -0.83 4.97 8.00 -1.26 -3.02 116.55 120.88 2kfp n ASP 35 Ca -0.01 0.10 0.02 0.00 0.71 0.00 0.00 54.79 55.62 2kfp n ASP 35 Cb 0.40 -0.36 0.20 0.00 -0.02 0.00 0.00 41.12 41.34 2kfp n ASP 35 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kfp n ASN 36 N -1.36 2.03 -2.22 -2.24 2.85 -0.84 -4.91 115.26 108.57 2kfp n ASN 36 Ca 0.11 -3.87 -0.20 0.00 -0.11 0.00 0.00 54.58 50.51 2kfp n ASN 36 Cb 0.25 -0.57 -0.02 0.00 1.24 0.00 0.00 39.78 40.69 2kfp n ASN 36 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kfp n ASP 37 N -1.12 -5.69 -2.45 1.20 -0.08 -1.17 -4.22 116.55 103.03 2kfp n ASP 37 Ca 0.25 0.02 -0.02 0.00 -1.51 0.00 0.00 54.79 53.53 2kfp n ASP 37 Cb 0.82 -4.74 -0.01 0.00 2.34 0.00 0.00 41.12 39.53 2kfp n ASP 37 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2kfp n LYS 38 N -2.88 -3.50 -2.64 -0.67 5.02 0.15 -5.01 118.16 108.62 2kfp n LYS 38 Ca -0.23 2.61 -0.16 0.00 -2.02 0.00 0.00 58.31 58.51 2kfp n LYS 38 Cb 0.68 -3.46 0.04 0.00 -0.02 0.00 0.00 35.03 32.27 2kfp n LYS 38 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2kfp n TRP 39 N 1.95 -2.20 -3.74 2.13 4.27 -1.26 -4.92 117.44 113.67 2kfp n TRP 39 Ca -0.11 -1.66 -0.35 0.00 -3.89 0.00 0.00 57.50 51.48 2kfp n TRP 39 Cb 0.18 -0.41 -0.08 0.00 -1.36 0.00 0.00 31.31 29.63 2kfp n TRP 39 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 2kfp s TYR 40 N -1.83 3.38 -0.26 -2.67 1.51 -1.26 -4.67 117.35 111.55 2kfp s TYR 40 Ca 0.43 0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 56.78 2kfp s TYR 40 Cb -0.03 -2.17 0.14 0.00 -0.11 0.00 0.00 41.96 39.79 2kfp s TYR 40 CO 0.28 0.24 0.38 0.00 -1.11 0.00 0.00 175.55 175.34 2kfp s ALA 41 N 0.47 -1.05 -0.18 3.71 0.00 -1.25 -4.84 121.76 118.62 2kfp s ALA 41 Ca 0.08 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 2kfp s ALA 41 Cb -0.11 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2kfp s ALA 41 CO -0.01 -1.47 -0.06 -0.51 0.00 0.00 0.00 175.76 173.71 2kfp s LEU 42 N 2.52 2.97 -0.19 0.00 2.01 -1.26 -2.71 118.68 122.03 2kfp s LEU 42 Ca 0.11 -0.29 -0.01 0.00 0.01 0.00 0.00 54.13 53.96 2kfp s LEU 42 Cb -0.14 -1.72 0.05 0.00 0.01 0.00 0.00 46.19 44.38 2kfp s LEU 42 CO -0.22 0.09 -0.03 -0.22 1.01 0.00 0.00 176.35 176.97 2kfp s LEU 43 N 0.84 1.72 0.27 1.79 0.20 -0.79 -1.39 118.68 121.32 2kfp s LEU 43 Ca -0.02 -0.81 -0.20 0.00 0.69 0.00 0.00 54.13 53.79 2kfp s LEU 43 Cb -0.15 -0.89 0.05 0.00 -0.43 0.00 0.00 46.19 44.77 2kfp s LEU 43 CO 0.01 -0.22 0.85 0.00 -0.29 0.00 0.00 176.35 176.70 2kfp s MET 44 N 1.63 1.71 -0.09 1.98 0.23 -1.13 -2.23 119.30 121.41 2kfp s MET 44 Ca -0.01 -1.03 -0.05 0.00 -1.03 0.00 0.00 55.69 53.57 2kfp s MET 44 Cb -0.16 0.53 -0.04 0.00 -1.53 0.00 0.00 34.83 33.63 2kfp s MET 44 CO -0.07 -0.79 0.12 -0.51 -2.03 0.00 0.00 175.02 171.73 2kfp s ASP 45 N -3.05 6.13 -0.02 -1.18 1.01 -1.26 -2.53 116.67 115.77 2kfp s ASP 45 Ca 0.14 0.37 -0.05 0.00 0.71 0.00 0.00 52.55 53.72 2kfp s ASP 45 Cb -0.04 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.97 2kfp s ASP 45 CO 0.07 0.37 0.10 0.27 0.21 0.00 0.00 175.17 176.19 2kfp s ILE 46 N -1.07 0.05 0.40 0.77 -4.36 -1.07 -4.91 121.20 111.02 2kfp s ILE 46 Ca 0.17 -0.42 -0.24 0.00 -0.26 0.00 0.00 60.65 59.91 2kfp s ILE 46 Cb -0.12 -0.29 -0.12 0.00 1.25 0.00 0.00 42.46 43.18 2kfp s ILE 46 CO 0.07 -0.23 0.74 -2.65 0.24 0.00 0.00 174.94 173.11 2kfp n PRO 47 N 2.17 0.86 0.28 0.37 -0.02 -1.26 -2.61 135.00 134.79 2kfp n PRO 47 Ca -0.18 0.31 0.15 0.00 -2.02 0.00 0.00 63.50 61.76 2kfp n PRO 47 Cb 0.57 -1.69 0.85 0.00 -0.02 0.00 0.00 33.50 33.21 2kfp n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kfp h ALA 48 N 1.15 1.30 0.00 3.55 0.00 -0.52 -1.12 119.26 123.62 2kfp h ALA 48 Ca -0.41 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kfp h ALA 48 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kfp h ALA 48 CO 0.54 0.08 0.00 0.39 0.00 0.00 0.00 179.25 180.26 2kfp n GLU 49 N -3.60 0.20 0.05 0.00 1.02 -1.10 -2.12 120.64 115.09 2kfp n GLU 49 Ca -0.02 0.43 0.13 0.00 -0.02 0.00 0.00 57.16 57.68 2kfp n GLU 49 Cb 0.17 -1.88 0.41 0.00 -0.02 0.00 0.00 31.44 30.12 2kfp n GLU 49 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kfp n LYS 50 N -2.25 0.15 -0.09 3.49 4.76 -0.42 -3.34 118.16 120.45 2kfp n LYS 50 Ca 0.02 0.09 0.06 0.00 -2.87 0.00 0.00 58.31 55.61 2kfp n LYS 50 Cb 0.23 -1.64 0.11 0.00 -1.84 0.00 0.00 35.03 31.88 2kfp n LYS 50 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2kfp n ILE 51 N -1.88 0.46 0.00 -0.18 -5.35 -0.90 -4.96 119.36 106.55 2kfp n ILE 51 Ca 0.06 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 2kfp n ILE 51 Cb 0.39 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 2kfp n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kfp n GLY 52 N 0.67 2.56 3.72 3.28 0.00 -1.19 -4.95 105.19 109.28 2kfp n GLY 52 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2kfp n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kfp s ILE 53 N -2.61 4.86 -0.70 -0.61 1.01 -0.93 -4.95 121.20 117.27 2kfp s ILE 53 Ca 0.00 1.90 -0.23 0.00 0.00 0.00 0.00 60.65 62.31 2kfp s ILE 53 Cb 0.00 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.29 2kfp s ILE 53 CO 0.00 0.21 1.06 0.21 0.00 0.00 0.00 174.94 176.42 2kfp s ASN 54 N 0.78 6.20 0.00 3.58 2.47 -1.26 -2.69 114.94 124.02 2kfp s ASN 54 Ca 0.47 -0.94 0.00 0.00 0.42 0.00 0.00 52.86 52.82 2kfp s ASN 54 Cb -0.21 -2.45 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 2kfp s ASN 54 CO 0.26 -1.52 0.00 0.61 -3.72 0.00 0.00 177.10 172.73 2kfp n GLY 55 N 5.39 1.00 1.23 1.21 0.00 -1.26 -4.99 105.19 107.78 2kfp n GLY 55 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2kfp n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kfp n ASP 56 N 0.00 -0.55 -4.86 1.61 5.75 -1.26 -4.85 116.55 112.39 2kfp n ASP 56 Ca 0.00 0.07 -0.34 0.00 -0.01 0.00 0.00 54.79 54.52 2kfp n ASP 56 Cb 0.05 -0.92 -0.06 0.00 -1.03 0.00 0.00 41.12 39.16 2kfp n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2kfp s LYS 57 N -2.34 3.31 0.23 0.11 -2.85 -1.26 -4.65 119.74 112.30 2kfp s LYS 57 Ca 0.00 -0.36 -0.30 0.00 -1.00 0.00 0.00 55.97 54.31 2kfp s LYS 57 Cb 0.00 -3.02 -0.09 0.00 -2.06 0.00 0.00 37.83 32.66 2kfp s LYS 57 CO 0.00 0.68 1.07 1.03 0.10 0.00 0.00 175.35 178.22 2kfp s ARG 58 N -1.79 4.66 0.14 1.78 3.00 -1.26 0.19 118.95 125.68 2kfp s ARG 58 Ca 0.25 1.71 0.03 0.00 0.00 0.00 0.00 55.73 57.72 2kfp s ARG 58 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 34.95 31.54 2kfp s ARG 58 CO 0.16 0.22 -0.07 0.14 0.00 0.00 0.00 175.30 175.75 2kfp s VAL 59 N -0.81 0.92 -0.05 3.52 -7.23 -1.07 -4.90 120.40 110.78 2kfp s VAL 59 Ca 0.46 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.41 2kfp s VAL 59 Cb -0.30 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 2kfp s VAL 59 CO 0.37 -0.72 0.60 -1.81 -0.31 0.00 0.00 175.10 173.24 2kfp s ASP 60 N -3.14 6.92 0.03 4.85 1.01 -1.26 -2.58 116.67 122.50 2kfp s ASP 60 Ca 0.17 1.10 0.02 0.00 0.71 0.00 0.00 52.55 54.54 2kfp s ASP 60 Cb 0.04 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 2kfp s ASP 60 CO -0.00 0.01 -0.06 0.68 0.21 0.00 0.00 175.17 176.01 2kfp s VAL 61 N 0.28 0.42 0.08 -1.27 -7.23 -1.05 -2.04 120.40 109.60 2kfp s VAL 61 Ca 0.32 -0.97 0.05 0.00 -1.81 0.00 0.00 61.98 59.57 2kfp s VAL 61 Cb -0.17 -0.50 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 2kfp s VAL 61 CO 0.16 -0.37 -0.13 0.27 -0.31 0.00 0.00 175.10 174.72 2kfp s ILE 62 N -1.30 1.05 0.18 -0.62 -4.36 -1.09 -2.86 121.20 112.21 2kfp s ILE 62 Ca -0.11 -1.43 -0.21 0.00 -0.26 0.00 0.00 60.65 58.65 2kfp s ILE 62 Cb -0.09 -1.16 -0.08 0.00 1.25 0.00 0.00 42.46 42.37 2kfp s ILE 62 CO 0.00 -0.35 0.70 -0.62 0.24 0.00 0.00 174.94 174.92 2kfp s ASP 63 N -2.00 7.14 -0.06 4.36 -1.08 -0.49 -2.03 116.67 122.51 2kfp s ASP 63 Ca 0.01 1.44 0.01 0.00 -0.52 0.00 0.00 52.55 53.48 2kfp s ASP 63 Cb -0.08 -2.43 0.02 0.00 -1.46 0.00 0.00 42.92 38.98 2kfp s ASP 63 CO 0.02 0.13 -0.05 -0.22 0.52 0.00 0.00 175.17 175.56 2kfp s LEU 64 N -1.60 1.23 -0.14 -1.34 1.98 -0.63 -4.70 118.68 113.48 2kfp s LEU 64 Ca 0.38 -0.17 -0.21 0.00 -2.89 0.00 0.00 54.13 51.24 2kfp s LEU 64 Cb -0.19 -0.56 -0.03 0.00 0.66 0.00 0.00 46.19 46.07 2kfp s LEU 64 CO 0.22 -0.07 0.62 -0.75 -1.89 0.00 0.00 176.35 174.48 2kfp s LYS 65 N 1.16 4.30 0.13 1.98 2.20 -1.26 -2.37 119.74 125.89 2kfp s LYS 65 Ca -0.07 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 2kfp s LYS 65 Cb -0.14 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 2kfp s LYS 65 CO -0.01 -0.07 0.02 0.14 -0.36 0.00 0.00 175.35 175.06 2kfp s VAL 66 N 1.32 0.36 0.55 4.02 -7.23 -1.06 -4.66 120.40 113.71 2kfp s VAL 66 Ca 0.31 -1.92 -0.13 0.00 -1.81 0.00 0.00 61.98 58.42 2kfp s VAL 66 Cb -0.16 -1.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 2kfp s VAL 66 CO 0.12 -0.57 0.98 -1.10 -0.31 0.00 0.00 175.10 174.22 2kfp s GLN 67 N -3.97 3.76 0.53 4.82 -0.21 -1.26 -4.42 119.66 118.90 2kfp s GLN 67 Ca 0.21 0.79 0.36 0.00 0.02 0.00 0.00 55.36 56.74 2kfp s GLN 67 Cb 0.07 -2.14 1.90 0.00 1.00 0.00 0.00 33.01 33.84 2kfp s GLN 67 CO 0.00 -0.39 2.09 -1.00 -2.12 0.00 0.00 175.29 173.87 2kfp h PRO 68 N 0.33 0.00 0.00 2.91 0.13 -1.97 -1.28 132.00 132.12 2kfp h PRO 68 Ca -0.46 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.41 2kfp h PRO 68 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2kfp h PRO 68 CO 0.62 0.00 -1.96 0.39 -0.23 0.00 0.00 178.00 176.82 2kfp n GLU 69 N -2.77 0.66 0.00 0.86 -0.58 -1.26 -4.11 120.64 113.44 2kfp n GLU 69 Ca -0.02 0.09 0.13 0.00 -0.42 0.00 0.00 57.16 56.95 2kfp n GLU 69 Cb 0.08 -1.65 0.45 0.00 -0.57 0.00 0.00 31.44 29.74 2kfp n GLU 69 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2kfp n LEU 70 N -2.79 1.19 -0.20 -4.62 4.77 -0.58 -4.02 117.00 110.75 2kfp n LEU 70 Ca -0.20 -0.35 -0.06 0.00 -0.03 0.00 0.00 56.01 55.37 2kfp n LEU 70 Cb 0.99 -0.07 0.09 0.00 -2.33 0.00 0.00 43.42 42.10 2kfp n LEU 70 CO 0.44 0.21 0.92 1.62 -1.33 0.00 0.00 177.39 179.24 2kfp h VAL 71 N 1.64 1.25 -0.74 4.08 3.04 -1.45 -2.67 116.25 121.41 2kfp h VAL 71 Ca 0.00 -0.99 0.02 0.00 -1.01 0.00 0.00 66.70 64.72 2kfp h VAL 71 Cb 0.50 0.67 -0.04 0.00 -2.01 0.00 0.00 31.29 30.40 2kfp h VAL 71 CO 0.00 0.37 0.48 1.23 -1.01 0.00 0.00 177.57 178.64 2kfp h GLY 72 N 1.03 1.05 0.58 3.17 0.00 -1.83 0.53 103.07 107.61 2kfp h GLY 72 Ca 0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2kfp h GLY 72 CO 0.01 0.34 -0.18 1.76 0.00 0.00 0.00 176.54 178.47 2kfp h SER 73 N 0.95 -0.41 -0.43 0.19 0.02 -1.77 -1.95 113.55 110.15 2kfp h SER 73 Ca 0.28 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2kfp h SER 73 Cb -0.05 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2kfp h SER 73 CO -0.08 -0.00 0.05 0.25 -1.14 0.00 0.00 176.83 175.90 2kfp h LEU 74 N -0.92 0.70 -1.31 5.07 6.46 -1.44 -2.50 115.31 121.37 2kfp h LEU 74 Ca -0.05 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 2kfp h LEU 74 Cb 0.54 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2kfp h LEU 74 CO 0.08 0.80 0.00 -0.09 -0.62 0.00 0.00 178.44 178.61 2kfp h ARG 75 N 0.57 0.00 0.03 1.25 2.43 -0.01 -2.25 114.38 116.41 2kfp h ARG 75 Ca 0.13 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.08 2kfp h ARG 75 Cb 0.42 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2kfp h ARG 75 CO 0.01 0.00 -0.99 -0.22 -1.51 0.00 0.00 179.97 177.26 2kfp h LYS 76 N 0.00 0.09 -6.96 0.20 3.11 -0.89 -3.46 116.57 108.67 2kfp h LYS 76 Ca 0.00 -0.13 -0.56 0.00 -2.81 0.00 0.00 60.65 57.15 2kfp h LYS 76 Cb 0.33 0.05 0.14 0.00 -1.00 0.00 0.00 32.23 31.75 2kfp h LYS 76 CO 0.00 1.00 0.49 1.63 -2.81 0.00 0.00 179.45 179.76 2kfp n LYS 77 N -3.48 1.59 -2.31 1.90 4.76 -0.85 -4.95 118.16 114.81 2kfp n LYS 77 Ca -0.02 0.58 -0.36 0.00 -2.87 0.00 0.00 58.31 55.64 2kfp n LYS 77 Cb 0.90 -2.46 -0.01 0.00 -1.84 0.00 0.00 35.03 31.63 2kfp n LYS 77 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kfp s PRO 78 N -2.72 3.62 0.00 1.97 0.04 -1.26 -3.18 135.00 133.47 2kfp s PRO 78 Ca 0.70 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2kfp s PRO 78 Cb -0.44 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2kfp s PRO 78 CO 0.50 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.32 2kfp n GLY 79 N 0.24 2.90 3.66 0.56 0.00 -1.26 -4.64 105.19 106.65 2kfp n GLY 79 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2kfp n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kfp s ILE 80 N -2.01 4.97 0.11 -0.61 1.09 -1.19 -2.09 121.20 121.48 2kfp s ILE 80 Ca 0.00 1.32 0.09 0.00 -1.10 0.00 0.00 60.65 60.96 2kfp s ILE 80 Cb 0.00 -4.00 -0.04 0.00 -1.06 0.00 0.00 42.46 37.36 2kfp s ILE 80 CO 0.00 0.07 -0.19 -0.31 -0.10 0.00 0.00 174.94 174.41 2kfp s TYR 81 N 2.05 2.51 0.43 3.97 2.02 -0.65 -4.94 117.35 122.74 2kfp s TYR 81 Ca 0.31 -0.28 -0.24 0.00 -0.37 0.00 0.00 57.07 56.49 2kfp s TYR 81 Cb -0.16 -1.35 -0.08 0.00 -0.40 0.00 0.00 41.96 39.98 2kfp s TYR 81 CO 0.11 0.36 1.23 -1.25 -1.57 0.00 0.00 175.55 174.43 2kfp s PRO 82 N -2.04 3.85 0.44 -1.71 0.04 -1.26 -1.88 135.00 132.44 2kfp s PRO 82 Ca 0.17 1.96 -0.24 0.00 0.04 0.00 0.00 61.00 62.93 2kfp s PRO 82 Cb -0.10 -2.58 -0.08 0.00 0.04 0.00 0.00 34.50 31.78 2kfp s PRO 82 CO 0.09 -0.53 1.22 0.00 0.04 0.00 0.00 177.00 177.82 2kfp s ALA 83 N -1.39 3.07 -2.00 8.56 0.00 -1.26 -4.50 121.76 124.23 2kfp s ALA 83 Ca 0.60 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.66 2kfp s ALA 83 Cb -0.33 -3.43 0.17 0.00 0.00 0.00 0.00 23.12 19.53 2kfp s ALA 83 CO 0.42 -0.75 1.02 2.48 0.00 0.00 0.00 175.76 178.92 2kfp n TYR 84 N -0.26 0.00 -2.51 0.00 0.18 -1.26 -4.49 117.16 108.82 2kfp n TYR 84 Ca 0.06 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.59 2kfp n TYR 84 Cb 0.46 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.45 2kfp n TYR 84 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 2kfp s HIS 85 N -2.00 3.18 -1.16 -3.48 3.76 -1.26 -4.94 115.29 109.39 2kfp s HIS 85 Ca 0.04 0.50 0.13 0.00 -0.15 0.00 0.00 55.06 55.58 2kfp s HIS 85 Cb 0.02 -2.71 0.58 0.00 1.11 0.00 0.00 32.58 31.58 2kfp s HIS 85 CO 0.03 -0.80 1.37 -1.33 -0.85 0.00 0.00 174.74 173.17 2kfp n MET 86 N -2.50 0.07 0.00 1.40 2.81 -1.26 -3.47 117.12 114.17 2kfp n MET 86 Ca 0.05 0.24 -0.01 0.00 -1.81 0.00 0.00 57.70 56.17 2kfp n MET 86 Cb 0.58 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.59 2kfp n MET 86 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2kfp h ASN 87 N 0.00 -0.03 0.00 7.83 2.35 -1.90 -3.45 115.58 120.38 2kfp h ASN 87 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kfp h ASN 87 Cb 0.18 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2kfp h ASN 87 CO 0.00 0.09 0.00 1.17 -1.65 0.00 0.00 177.43 177.04 2kfp n LYS 88 N -2.73 0.00 -0.05 0.81 4.81 -1.22 -4.36 118.16 115.42 2kfp n LYS 88 Ca -0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.38 2kfp n LYS 88 Cb 0.02 -2.13 -0.02 0.00 0.02 0.00 0.00 35.03 32.92 2kfp n LYS 88 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kfp n GLU 89 N -0.38 0.32 -0.11 1.64 1.02 -1.26 -4.62 120.64 117.25 2kfp n GLU 89 Ca 0.00 0.17 -0.08 0.00 -0.02 0.00 0.00 57.16 57.23 2kfp n GLU 89 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 2kfp n GLU 89 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kfp h HIS 90 N -0.61 0.43 -4.12 -0.32 3.86 -1.77 -3.39 115.15 109.21 2kfp h HIS 90 Ca 0.00 0.01 -0.69 0.00 -1.16 0.00 0.00 60.37 58.53 2kfp h HIS 90 Cb 0.57 -0.14 -0.26 0.00 1.06 0.00 0.00 27.41 28.64 2kfp h HIS 90 CO -0.25 0.25 -0.82 -1.58 0.86 0.00 0.00 177.93 176.40 2kfp s TRP 91 N -6.16 2.58 0.04 2.45 0.51 -1.26 -2.57 118.94 114.53 2kfp s TRP 91 Ca -0.13 -0.34 0.00 0.00 -2.12 0.00 0.00 56.10 53.51 2kfp s TRP 91 Cb 0.11 -1.61 -0.03 0.00 -0.81 0.00 0.00 33.47 31.13 2kfp s TRP 91 CO 0.72 0.04 -0.05 0.42 -0.51 0.00 0.00 176.95 177.58 2kfp s ILE 92 N -0.54 0.31 -0.09 2.03 1.01 -1.00 -3.42 121.20 119.50 2kfp s ILE 92 Ca 0.07 -1.28 -0.10 0.00 0.00 0.00 0.00 60.65 59.34 2kfp s ILE 92 Cb -0.11 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 2kfp s ILE 92 CO 0.01 -0.63 0.24 -0.89 0.00 0.00 0.00 174.94 173.66 2kfp s THR 93 N -2.27 5.34 -0.07 2.92 2.01 -0.79 -1.61 115.64 121.17 2kfp s THR 93 Ca -0.06 0.44 0.05 0.00 0.31 0.00 0.00 61.69 62.43 2kfp s THR 93 Cb -0.04 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 2kfp s THR 93 CO -0.03 0.57 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.54 2kfp s VAL 94 N -0.81 2.02 -0.46 3.82 1.01 -0.86 -1.64 120.40 123.47 2kfp s VAL 94 Ca 0.17 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 2kfp s VAL 94 Cb -0.13 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.55 2kfp s VAL 94 CO 0.06 0.56 0.79 -0.22 0.00 0.00 0.00 175.10 176.29 2kfp s LEU 95 N 0.02 4.28 0.19 3.92 2.96 -0.89 -2.66 118.68 126.51 2kfp s LEU 95 Ca -0.09 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2kfp s LEU 95 Cb -0.15 -2.92 0.10 0.00 0.50 0.00 0.00 46.19 43.72 2kfp s LEU 95 CO 0.05 -0.94 1.64 -0.07 -1.32 0.00 0.00 176.35 175.71 2kfp h LEU 96 N 10.18 0.99 0.00 -0.68 3.38 -1.74 -1.44 115.31 126.00 2kfp h LEU 96 Ca -0.25 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2kfp h LEU 96 Cb 1.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2kfp h LEU 96 CO 0.97 1.08 0.00 -3.20 0.09 0.00 0.00 178.44 177.38 2kfp n ASN 97 N -4.16 0.00 -3.48 -0.43 2.85 -1.26 -4.70 115.26 104.08 2kfp n ASN 97 Ca 0.02 0.37 -0.27 0.00 -0.11 0.00 0.00 54.58 54.59 2kfp n ASN 97 Cb 0.37 -0.43 0.25 0.00 1.24 0.00 0.00 39.78 41.22 2kfp n ASN 97 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kfp n GLY 98 N -0.12 -3.36 0.07 8.20 0.00 -0.55 -4.86 105.19 104.58 2kfp n GLY 98 Ca 0.04 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.75 2kfp n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kfp n PRO 99 N -4.68 0.13 -2.17 1.61 -0.04 -1.26 -4.81 135.00 123.78 2kfp n PRO 99 Ca 0.10 0.28 -0.41 0.00 -0.04 0.00 0.00 63.50 63.43 2kfp n PRO 99 Cb 0.53 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 2kfp n PRO 99 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2kfp s LEU 100 N -3.88 4.43 0.79 1.53 0.05 -1.26 -5.02 118.68 115.32 2kfp s LEU 100 Ca 0.08 2.55 -0.07 0.00 0.05 0.00 0.00 54.13 56.73 2kfp s LEU 100 Cb 0.11 -3.63 0.13 0.00 -2.05 0.00 0.00 46.19 40.76 2kfp s LEU 100 CO 0.42 -0.52 1.10 -0.83 -0.55 0.00 0.00 176.35 175.96 2kfp s GLY 101 N -0.09 1.75 0.33 -3.48 0.00 -1.26 -4.75 107.32 99.83 2kfp s GLY 101 Ca 0.53 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 43.92 2kfp s GLY 101 CO 0.45 -0.79 1.83 0.00 0.00 0.00 0.00 173.10 174.59 2kfp h ALA 102 N -0.89 1.31 -0.84 3.20 0.00 -1.95 -2.51 119.26 117.58 2kfp h ALA 102 Ca -0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 2kfp h ALA 102 Cb 1.27 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2kfp h ALA 102 CO 0.44 0.46 0.43 0.87 0.00 0.00 0.00 179.25 181.45 2kfp h LYS 103 N 0.42 1.19 -0.56 0.00 6.56 -1.99 0.63 116.57 122.82 2kfp h LYS 103 Ca 0.08 -0.16 -0.06 0.00 -1.06 0.00 0.00 60.65 59.45 2kfp h LYS 103 Cb 0.45 -0.22 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 2kfp h LYS 103 CO 0.03 0.90 0.11 0.93 -2.06 0.00 0.00 179.45 179.35 2kfp h GLU 104 N 1.18 0.91 -0.51 3.15 5.08 -1.83 -2.55 114.58 120.02 2kfp h GLU 104 Ca 0.29 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2kfp h GLU 104 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2kfp h GLU 104 CO -0.04 0.87 0.14 0.82 -1.00 0.00 0.00 179.01 179.79 2kfp h ILE 105 N 0.81 1.24 -0.72 3.13 2.04 -1.09 -2.45 117.51 120.46 2kfp h ILE 105 Ca 0.17 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.28 2kfp h ILE 105 Cb 0.38 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 2kfp h ILE 105 CO 0.01 0.30 0.40 0.45 0.00 0.00 0.00 178.15 179.30 2kfp h HIS 106 N 0.70 0.73 -0.60 1.37 3.86 -0.65 0.72 115.15 121.28 2kfp h HIS 106 Ca 0.16 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 2kfp h HIS 106 Cb 0.31 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 2kfp h HIS 106 CO 0.02 0.33 0.17 0.66 0.86 0.00 0.00 177.93 179.97 2kfp h SER 107 N 0.71 0.89 -0.68 2.45 4.64 -1.23 -1.95 113.55 118.37 2kfp h SER 107 Ca 0.33 -0.22 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 2kfp h SER 107 Cb 0.25 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 2kfp h SER 107 CO -0.21 0.87 0.14 -0.07 -0.87 0.00 0.00 176.83 176.69 2kfp h LEU 108 N 0.86 1.06 -0.62 5.97 3.38 -0.84 -2.66 115.31 122.45 2kfp h LEU 108 Ca 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2kfp h LEU 108 Cb 0.31 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2kfp h LEU 108 CO -0.00 1.03 0.28 0.40 0.09 0.00 0.00 178.44 180.24 2kfp h ILE 109 N 1.05 1.22 -0.95 1.22 2.04 -0.61 -2.18 117.51 119.30 2kfp h ILE 109 Ca 0.21 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.47 2kfp h ILE 109 Cb 0.40 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 2kfp h ILE 109 CO 0.01 0.26 0.62 -0.08 0.00 0.00 0.00 178.15 178.96 2kfp h GLU 110 N 0.86 1.11 -0.56 2.37 4.81 -1.06 -0.60 114.58 121.50 2kfp h GLU 110 Ca 0.21 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2kfp h GLU 110 Cb 0.15 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2kfp h GLU 110 CO -0.02 0.73 0.21 -0.44 -0.73 0.00 0.00 179.01 178.76 2kfp h ASP 111 N 1.14 0.79 -0.26 1.04 3.32 -1.08 -2.37 116.42 119.00 2kfp h ASP 111 Ca 0.40 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 2kfp h ASP 111 Cb 0.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2kfp h ASP 111 CO -0.14 0.75 0.01 0.77 -1.72 0.00 0.00 179.24 178.92 2kfp h SER 112 N 0.77 0.52 -0.52 6.45 4.64 -0.72 -2.57 113.55 122.12 2kfp h SER 112 Ca 0.19 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2kfp h SER 112 Cb 0.22 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 2kfp h SER 112 CO -0.01 0.58 0.34 0.15 -0.87 0.00 0.00 176.83 177.02 2kfp h PHE 113 N 0.54 0.66 -0.64 4.77 3.57 -0.64 -0.31 116.94 124.89 2kfp h PHE 113 Ca 0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2kfp h PHE 113 Cb 0.33 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2kfp h PHE 113 CO 0.01 0.42 0.41 1.96 -2.23 0.00 0.00 178.31 178.88 2kfp h GLN 114 N 0.71 0.85 -0.63 1.11 4.20 -1.16 1.49 115.11 121.68 2kfp h GLN 114 Ca 0.19 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 2kfp h GLN 114 Cb -0.07 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.50 2kfp h GLN 114 CO -0.04 0.58 0.16 -0.07 -0.67 0.00 0.00 178.83 178.79 2kfp h LEU 115 N 0.86 0.96 -3.06 1.46 3.38 -1.21 -2.57 115.31 115.13 2kfp h LEU 115 Ca 0.23 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kfp h LEU 115 Cb -0.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.43 2kfp h LEU 115 CO -0.05 0.94 0.00 0.35 0.09 0.00 0.00 178.44 179.77 2kfp n THR 116 N -4.33 1.79 -1.68 0.22 -2.24 -0.17 -4.99 114.28 102.89 2kfp n THR 116 Ca 0.04 -1.16 -0.62 0.00 -2.27 0.00 0.00 64.05 60.04 2kfp n THR 116 Cb 0.24 0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.51 2kfp n THR 116 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2kfp n ARG 117 N 1.15 0.44 -0.45 -0.78 0.63 0.51 -4.80 116.66 113.35 2kfp n ARG 117 Ca 0.26 0.16 0.11 0.00 -0.92 0.00 0.00 57.85 57.46 2kfp n ARG 117 Cb 0.88 -1.73 0.34 0.00 0.45 0.00 0.00 32.46 32.40 2kfp n ARG 117 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2kfp n LEU 118 N 3.80 4.24 -4.77 6.15 -0.00 -1.26 -4.97 117.00 120.19 2kfp n LEU 118 Ca 0.27 -2.13 -0.41 0.00 -0.00 0.00 0.00 56.01 53.74 2kfp n LEU 118 Cb 0.04 -0.52 -0.01 0.00 -0.00 0.00 0.00 43.42 42.93 2kfp n LEU 118 CO 0.80 0.95 1.05 -1.61 -0.00 0.00 0.00 177.39 178.57 2kfp s GLU 119 N -1.25 4.15 0.30 1.47 0.41 -1.26 -5.00 118.70 117.51 2kfp s GLU 119 Ca 0.50 2.37 -0.12 0.00 -0.41 0.00 0.00 54.97 57.31 2kfp s GLU 119 Cb 0.28 -2.95 0.01 0.00 -1.78 0.00 0.00 34.13 29.69 2kfp s GLU 119 CO 0.31 -0.42 0.58 -1.58 -0.49 0.00 0.00 175.26 173.66 2kfp s HIS 120 N -1.15 0.38 -2.00 1.61 2.46 -1.26 -4.99 115.29 110.34 2kfp s HIS 120 Ca 0.52 -0.79 0.02 0.00 0.47 0.00 0.00 55.06 55.29 2kfp s HIS 120 Cb -0.43 0.34 0.14 0.00 -0.13 0.00 0.00 32.58 32.50 2kfp s HIS 120 CO 0.57 -1.18 0.54 0.72 -2.47 0.00 0.00 174.74 172.92 2kfp n HIS 121 N -0.46 0.00 -2.33 3.88 8.25 -1.26 -4.89 115.22 118.40 2kfp n HIS 121 Ca -0.03 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2kfp n HIS 121 Cb 0.61 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.72 2kfp n HIS 121 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kfp n HIS 122 N -0.59 -3.97 -0.14 4.41 8.25 -1.26 -4.84 115.22 117.07 2kfp n HIS 122 Ca 0.02 2.36 -0.08 0.00 -0.26 0.00 0.00 57.72 59.75 2kfp n HIS 122 Cb 0.01 -3.35 0.06 0.00 1.12 0.00 0.00 29.99 27.83 2kfp n HIS 122 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kfp h HIS 123 N 4.27 1.02 -3.66 4.41 3.86 -2.04 -3.45 115.15 119.56 2kfp h HIS 123 Ca -0.04 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 58.89 2kfp h HIS 123 Cb 0.09 -0.25 -0.14 0.00 1.06 0.00 0.00 27.41 28.17 2kfp h HIS 123 CO 0.00 0.97 -0.29 -3.38 0.86 0.00 0.00 177.93 176.09 2kfp s HIS 124 N -4.81 0.04 -1.93 2.45 -3.43 -1.26 -5.31 115.29 101.04 2kfp s HIS 124 Ca -0.10 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 53.74 2kfp s HIS 124 Cb 0.13 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 2kfp s HIS 124 CO 0.85 -0.57 0.48 1.58 -2.00 0.00 0.00 174.74 175.07