#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 5.76 0.15 3.17 0.01 -1.26 -4.61 114.94 118.16 2kfp s ASN 2 Ca 0.00 0.17 -0.15 0.00 -0.71 0.00 0.00 52.86 52.17 2kfp s ASN 2 Cb 0.00 -1.38 0.02 0.00 0.41 0.00 0.00 41.25 40.30 2kfp s ASN 2 CO 0.00 -0.73 1.73 -0.09 -1.51 0.00 0.00 177.10 176.50 2kfp h ARG 3 N 0.41 0.66 -0.75 -0.60 2.43 -1.99 -1.03 114.38 113.50 2kfp h ARG 3 Ca -0.45 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 58.57 2kfp h ARG 3 Cb 1.26 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 2kfp h ARG 3 CO 0.56 0.55 0.26 0.37 -1.51 0.00 0.00 179.97 180.20 2kfp h GLN 4 N 0.60 1.15 -0.57 0.20 5.75 -2.00 -2.18 115.11 118.06 2kfp h GLN 4 Ca 0.16 -0.23 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 2kfp h GLN 4 Cb 0.11 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 2kfp h GLN 4 CO -0.02 0.96 0.15 1.96 -2.65 0.00 0.00 178.83 179.23 2kfp h GLN 5 N 1.11 0.86 -0.30 1.69 4.20 -1.85 -1.56 115.11 119.26 2kfp h GLN 5 Ca 0.25 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2kfp h GLN 5 Cb 0.27 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2kfp h GLN 5 CO -0.01 0.76 0.18 0.35 -0.67 0.00 0.00 178.83 179.45 2kfp h PHE 6 N 0.83 0.39 -0.33 2.96 3.57 -0.56 0.41 116.94 124.21 2kfp h PHE 6 Ca 0.19 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2kfp h PHE 6 Cb 0.28 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2kfp h PHE 6 CO 0.02 0.27 0.08 0.82 -2.23 0.00 0.00 178.31 177.27 2kfp h ILE 7 N 0.39 1.22 -0.71 1.41 5.03 -1.20 -1.46 117.51 122.19 2kfp h ILE 7 Ca 0.11 -0.74 -0.03 0.00 -0.12 0.00 0.00 64.86 64.08 2kfp h ILE 7 Cb -0.00 1.08 -0.03 0.00 -3.03 0.00 0.00 36.82 34.83 2kfp h ILE 7 CO -0.02 0.25 0.34 -0.78 -0.68 0.00 0.00 178.15 177.26 2kfp h ASP 8 N 0.38 0.92 -0.04 1.72 1.82 -0.98 0.67 116.42 120.91 2kfp h ASP 8 Ca 0.10 -0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2kfp h ASP 8 Cb 0.30 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.07 2kfp h ASP 8 CO 0.00 0.79 0.02 0.22 -1.61 0.00 0.00 179.24 178.67 2kfp h TYR 9 N 0.99 0.05 -0.30 0.28 3.20 0.05 -0.81 116.97 120.44 2kfp h TYR 9 Ca 0.24 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.00 2kfp h TYR 9 Cb 0.11 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2kfp h TYR 9 CO 0.01 0.07 -0.30 0.00 -1.64 0.00 0.00 178.16 176.30 2kfp h ALA 10 N 0.98 0.93 -0.66 1.82 0.00 -0.99 -0.11 119.26 121.23 2kfp h ALA 10 Ca 0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2kfp h ALA 10 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2kfp h ALA 10 CO -0.00 0.61 0.35 0.37 0.00 0.00 0.00 179.25 180.58 2kfp h GLN 11 N 0.53 0.93 0.00 0.00 4.15 0.77 0.39 115.11 121.88 2kfp h GLN 11 Ca 0.07 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2kfp h GLN 11 Cb 0.78 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 2kfp h GLN 11 CO 0.06 0.71 -0.47 0.87 -1.93 0.00 0.00 178.83 178.07 2kfp h LYS 12 N 0.91 0.00 0.00 1.69 1.57 -1.04 -1.84 116.57 117.86 2kfp h LYS 12 Ca 0.23 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.86 2kfp h LYS 12 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2kfp h LYS 12 CO -0.04 0.07 -0.85 -0.22 -0.57 0.00 0.00 179.45 177.85 2kfp h LYS 13 N 0.00 0.00 0.00 3.15 1.63 -0.57 -3.42 116.57 117.36 2kfp h LYS 13 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2kfp h LYS 13 Cb 1.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2kfp h LYS 13 CO 0.01 0.87 -0.60 0.66 -3.45 0.00 0.00 179.45 176.94 2kfp n TYR 14 N -4.50 0.00 -3.66 1.91 4.01 0.12 -5.02 117.16 110.01 2kfp n TYR 14 Ca -0.23 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.26 2kfp n TYR 14 Cb 0.57 -0.02 0.07 0.00 -0.31 0.00 0.00 39.34 39.64 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 -1.31 -5.25 -4.79 7.72 -0.08 0.10 -4.97 116.55 107.96 2kfp n ASP 15 Ca -0.00 -0.62 -0.36 0.00 -1.51 0.00 0.00 54.79 52.30 2kfp n ASP 15 Cb 0.04 -4.73 -0.07 0.00 2.34 0.00 0.00 41.12 38.70 2kfp n ASP 15 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2kfp s THR 16 N -3.34 5.45 0.01 5.18 2.01 -1.26 -5.00 115.64 118.69 2kfp s THR 16 Ca 0.51 0.21 -0.25 0.00 0.31 0.00 0.00 61.69 62.47 2kfp s THR 16 Cb -0.23 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2kfp s THR 16 CO 0.76 0.51 0.79 -0.75 -0.69 0.00 0.00 174.62 175.24 2kfp s LYS 17 N -0.22 4.50 0.54 4.92 2.20 -1.26 -4.75 119.74 125.67 2kfp s LYS 17 Ca 0.11 1.08 -0.19 0.00 -0.36 0.00 0.00 55.97 56.61 2kfp s LYS 17 Cb -0.12 -3.40 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 2kfp s LYS 17 CO 0.01 0.17 1.09 -1.25 -0.36 0.00 0.00 175.35 175.01 2kfp s PRO 18 N 0.33 3.43 0.05 4.03 0.04 -1.26 -4.70 135.00 136.92 2kfp s PRO 18 Ca 0.40 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.95 2kfp s PRO 18 Cb -0.20 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2kfp s PRO 18 CO 0.23 -0.76 -0.11 -0.51 0.04 0.00 0.00 177.00 175.88 2kfp s ASP 19 N -2.04 1.31 -0.46 6.66 1.01 -0.99 -4.94 116.67 117.22 2kfp s ASP 19 Ca 0.69 -0.56 0.03 0.00 0.71 0.00 0.00 52.55 53.42 2kfp s ASP 19 Cb -0.20 -0.02 0.15 0.00 1.01 0.00 0.00 42.92 43.86 2kfp s ASP 19 CO 0.27 -0.11 0.31 -1.38 0.21 0.00 0.00 175.17 174.47 2kfp s HIS 20 N -1.24 1.80 0.35 4.23 -3.43 -1.26 0.22 115.29 115.96 2kfp s HIS 20 Ca -0.05 -2.43 0.07 0.00 -0.80 0.00 0.00 55.06 51.85 2kfp s HIS 20 Cb -0.10 -1.59 0.75 0.00 -1.43 0.00 0.00 32.58 30.21 2kfp s HIS 20 CO 0.01 -0.76 1.91 -1.35 -2.00 0.00 0.00 174.74 172.55 2kfp h PRO 21 N 6.23 0.74 -6.32 -0.38 0.11 -1.95 -3.36 132.00 127.07 2kfp h PRO 21 Ca 0.11 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.63 2kfp h PRO 21 Cb 0.90 -0.17 -0.08 0.00 0.11 0.00 0.00 31.00 31.76 2kfp h PRO 21 CO 0.46 0.49 1.12 -1.58 -0.21 0.00 0.00 178.00 178.28 2kfp s TRP 22 N -5.71 2.30 0.27 0.65 0.51 -1.26 -4.82 118.94 110.88 2kfp s TRP 22 Ca -0.10 -0.13 0.28 0.00 -2.12 0.00 0.00 56.10 54.03 2kfp s TRP 22 Cb 0.21 -4.63 1.30 0.00 -0.81 0.00 0.00 33.47 29.54 2kfp s TRP 22 CO 0.78 -2.07 1.98 1.05 -0.51 0.00 0.00 176.95 178.19 2kfp h GLU 23 N 10.11 0.00 0.00 4.98 4.11 -2.00 -1.96 114.58 129.82 2kfp h GLU 23 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2kfp h GLU 23 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2kfp h GLU 23 CO 1.30 0.13 0.00 1.63 0.07 0.00 0.00 179.01 182.14 2kfp n LYS 24 N -3.41 0.44 -3.18 1.06 5.02 -1.26 -4.04 118.16 112.79 2kfp n LYS 24 Ca -0.01 0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 2kfp n LYS 24 Cb 0.31 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.20 -1.51 0.34 2.13 3.72 -0.74 -4.96 117.46 115.25 2kfp n PHE 25 Ca 0.13 -2.90 0.23 0.00 -0.05 0.00 0.00 57.45 54.85 2kfp n PHE 25 Cb 0.14 0.43 1.19 0.00 -0.94 0.00 0.00 39.48 40.31 2kfp n PHE 25 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2kfp h PRO 26 N 4.96 0.00 0.00 -1.08 0.11 -1.70 -0.17 132.00 134.12 2kfp h PRO 26 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2kfp h PRO 26 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2kfp h PRO 26 CO 0.33 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.72 2kfp n ASP 27 N -3.08 0.00 -4.80 -2.05 5.75 -1.26 -4.69 116.55 106.41 2kfp n ASP 27 Ca -0.03 -0.51 -0.36 0.00 -0.01 0.00 0.00 54.79 53.89 2kfp n ASP 27 Cb 0.09 -0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 39.99 2kfp n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2kfp s TYR 28 N -2.24 3.51 -0.03 2.11 1.51 -0.08 -3.77 117.35 118.36 2kfp s TYR 28 Ca 0.33 0.46 0.00 0.00 -1.01 0.00 0.00 57.07 56.85 2kfp s TYR 28 Cb 0.18 -2.08 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 2kfp s TYR 28 CO 0.34 0.50 -0.00 0.00 -1.11 0.00 0.00 175.55 175.28 2kfp s ALA 29 N -0.31 0.35 -0.17 3.71 0.00 -0.36 -4.46 121.76 120.52 2kfp s ALA 29 Ca 0.12 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 2kfp s ALA 29 Cb -0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2kfp s ALA 29 CO 0.02 -0.06 -0.02 0.08 0.00 0.00 0.00 175.76 175.77 2kfp s VAL 30 N 1.00 3.93 -0.25 0.00 1.01 0.13 -1.90 120.40 124.33 2kfp s VAL 30 Ca -0.10 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 2kfp s VAL 30 Cb -0.14 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2kfp s VAL 30 CO -0.02 0.47 0.16 -0.36 0.00 0.00 0.00 175.10 175.36 2kfp s PHE 31 N 0.55 3.29 -0.02 5.22 0.08 -0.74 -2.36 117.98 124.00 2kfp s PHE 31 Ca -0.02 0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.22 2kfp s PHE 31 Cb -0.14 -2.28 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 2kfp s PHE 31 CO 0.02 0.01 -0.03 1.03 -0.10 0.00 0.00 175.22 176.16 2kfp s ARG 32 N 1.19 0.36 -0.37 0.44 0.52 -1.25 -3.20 118.95 116.63 2kfp s ARG 32 Ca 0.07 -0.07 -0.14 0.00 -0.52 0.00 0.00 55.73 55.08 2kfp s ARG 32 Cb -0.14 -0.41 0.00 0.00 0.52 0.00 0.00 34.95 34.92 2kfp s ARG 32 CO 0.06 -0.00 0.27 -1.58 0.02 0.00 0.00 175.30 174.06 2kfp s HIS 33 N 0.37 3.23 0.26 -0.53 2.46 -0.92 -4.80 115.29 115.36 2kfp s HIS 33 Ca -0.04 -0.39 0.19 0.00 0.47 0.00 0.00 55.06 55.29 2kfp s HIS 33 Cb -0.07 -2.53 0.85 0.00 -0.13 0.00 0.00 32.58 30.70 2kfp s HIS 33 CO -0.01 -0.47 1.82 1.03 -2.47 0.00 0.00 174.74 174.65 2kfp h SER 34 N 8.56 0.00 -0.68 9.88 0.87 -1.95 0.37 113.55 130.60 2kfp h SER 34 Ca -0.29 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.20 2kfp h SER 34 Cb 1.14 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 2kfp h SER 34 CO 0.68 0.32 0.18 -0.78 -0.53 0.00 0.00 176.83 176.70 2kfp h ASP 35 N 0.00 1.02 0.07 6.23 1.82 -1.97 -2.81 116.42 120.78 2kfp h ASP 35 Ca -0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2kfp h ASP 35 Cb 0.73 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.47 2kfp h ASP 35 CO 0.04 0.97 -1.03 -3.20 -1.61 0.00 0.00 179.24 174.41 2kfp n ASN 36 N -4.24 0.85 -3.20 2.28 2.85 -1.09 -4.97 115.26 107.74 2kfp n ASN 36 Ca 0.05 -0.81 -0.22 0.00 -0.11 0.00 0.00 54.58 53.50 2kfp n ASN 36 Cb 0.25 1.00 0.06 0.00 1.24 0.00 0.00 39.78 42.32 2kfp n ASN 36 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kfp n ASP 37 N -1.58 -6.02 0.00 1.20 8.00 0.13 -4.84 116.55 113.44 2kfp n ASP 37 Ca 0.03 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.11 2kfp n ASP 37 Cb 0.36 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.75 2kfp n ASP 37 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2kfp n LYS 38 N -4.41 0.00 -2.79 -1.24 2.85 -1.01 -5.00 118.16 106.56 2kfp n LYS 38 Ca -0.03 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.22 2kfp n LYS 38 Cb 0.57 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.95 2kfp n LYS 38 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 2kfp n TRP 39 N 0.00 -3.33 -3.99 5.58 -0.00 -1.26 -2.16 117.44 112.28 2kfp n TRP 39 Ca 0.00 1.56 -0.35 0.00 -0.00 0.00 0.00 57.50 58.71 2kfp n TRP 39 Cb 0.00 -3.45 -0.11 0.00 -0.00 0.00 0.00 31.31 27.75 2kfp n TRP 39 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 2kfp s TYR 40 N -1.37 3.16 -0.05 5.87 1.51 -1.26 -3.93 117.35 121.28 2kfp s TYR 40 Ca -0.04 -0.13 -0.14 0.00 -1.01 0.00 0.00 57.07 55.75 2kfp s TYR 40 Cb 0.00 -2.12 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 2kfp s TYR 40 CO 0.64 -0.04 0.32 0.00 -1.11 0.00 0.00 175.55 175.36 2kfp s ALA 41 N 0.79 -0.80 -0.05 3.71 0.00 -1.19 -4.53 121.76 119.69 2kfp s ALA 41 Ca 0.03 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 2kfp s ALA 41 Cb -0.14 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2kfp s ALA 41 CO 0.02 -0.23 0.07 -1.17 0.00 0.00 0.00 175.76 174.46 2kfp s LEU 42 N -0.83 0.16 -0.16 0.00 2.96 -1.18 -1.79 118.68 117.83 2kfp s LEU 42 Ca -0.09 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2kfp s LEU 42 Cb -0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 46.19 46.56 2kfp s LEU 42 CO 0.03 -0.24 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.50 2kfp s LEU 43 N 2.13 2.81 0.19 -0.68 0.20 -0.80 -1.13 118.68 121.40 2kfp s LEU 43 Ca 0.04 -0.34 -0.15 0.00 0.69 0.00 0.00 54.13 54.37 2kfp s LEU 43 Cb -0.12 -1.67 0.02 0.00 -0.43 0.00 0.00 46.19 43.99 2kfp s LEU 43 CO -0.03 0.10 0.46 0.00 -0.29 0.00 0.00 176.35 176.58 2kfp s MET 44 N 0.74 1.33 -0.33 1.98 0.23 -1.05 -1.22 119.30 120.98 2kfp s MET 44 Ca -0.04 -0.97 -0.15 0.00 -1.03 0.00 0.00 55.69 53.50 2kfp s MET 44 Cb -0.15 0.48 -0.02 0.00 -1.53 0.00 0.00 34.83 33.61 2kfp s MET 44 CO 0.02 -0.55 0.36 -0.51 -2.03 0.00 0.00 175.02 172.31 2kfp s ASP 45 N -2.91 6.18 0.04 -1.18 1.01 -1.25 -2.77 116.67 115.80 2kfp s ASP 45 Ca 0.12 -0.15 0.06 0.00 0.71 0.00 0.00 52.55 53.29 2kfp s ASP 45 Cb 0.00 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 2kfp s ASP 45 CO -0.01 -0.31 -0.17 0.27 0.21 0.00 0.00 175.17 175.16 2kfp s ILE 46 N 2.02 1.37 0.49 0.77 -4.36 -1.08 -4.92 121.20 115.48 2kfp s ILE 46 Ca 0.12 -1.11 -0.23 0.00 -0.26 0.00 0.00 60.65 59.17 2kfp s ILE 46 Cb -0.16 -1.22 -0.06 0.00 1.25 0.00 0.00 42.46 42.26 2kfp s ILE 46 CO 0.11 0.09 1.29 -2.16 0.24 0.00 0.00 174.94 174.52 2kfp s PRO 47 N -1.19 3.50 0.57 0.37 0.04 -1.26 -2.59 135.00 134.45 2kfp s PRO 47 Ca 0.04 2.09 0.35 0.00 0.04 0.00 0.00 61.00 63.52 2kfp s PRO 47 Cb -0.08 -2.41 1.70 0.00 0.04 0.00 0.00 34.50 33.74 2kfp s PRO 47 CO 0.02 -0.85 2.13 0.00 0.04 0.00 0.00 177.00 178.33 2kfp h ALA 48 N 1.90 1.10 -0.01 8.56 0.00 0.08 -2.62 119.26 128.26 2kfp h ALA 48 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2kfp h ALA 48 Cb 1.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kfp h ALA 48 CO 0.59 0.06 0.17 1.05 0.00 0.00 0.00 179.25 181.12 2kfp h GLU 49 N 0.00 0.00 0.00 0.00 4.11 -1.83 0.15 114.58 117.01 2kfp h GLU 49 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kfp h GLU 49 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kfp h GLU 49 CO 0.01 0.00 -0.05 1.63 0.07 0.00 0.00 179.01 180.66 2kfp n LYS 50 N -3.04 0.17 0.00 1.06 5.02 -0.99 -3.52 118.16 116.85 2kfp n LYS 50 Ca -0.02 0.13 0.02 0.00 -2.02 0.00 0.00 58.31 56.41 2kfp n LYS 50 Cb 0.24 -1.68 -0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2kfp n LYS 50 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2kfp n ILE 51 N -1.97 0.00 -0.38 -0.18 -5.35 0.43 -4.99 119.36 106.92 2kfp n ILE 51 Ca 0.06 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2kfp n ILE 51 Cb 0.40 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 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 0.72 0.91 3.79 3.28 0.00 -0.65 -5.04 105.19 108.20 2kfp n GLY 52 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.87 4.21 0.00 -0.61 1.01 -1.14 -4.74 121.20 117.06 2kfp s ILE 53 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.29 2kfp s ILE 53 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2kfp s ILE 53 CO 0.00 -0.03 0.00 0.59 0.00 0.00 0.00 174.94 175.50 2kfp n ASN 54 N 0.07 0.00 0.00 3.58 5.03 -1.26 -4.17 115.26 118.51 2kfp n ASN 54 Ca 0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.49 2kfp n ASN 54 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 2kfp n ASN 54 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kfp n GLY 55 N 0.00 3.19 3.55 7.41 0.00 -1.26 -4.96 105.19 113.11 2kfp n GLY 55 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 2kfp n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kfp n ASP 56 N 0.00 -5.73 -4.35 1.61 -0.08 -1.26 -4.80 116.55 101.94 2kfp n ASP 56 Ca 0.00 -0.54 -0.34 0.00 -1.51 0.00 0.00 54.79 52.40 2kfp n ASP 56 Cb 0.00 -4.99 -0.14 0.00 2.34 0.00 0.00 41.12 38.33 2kfp n ASP 56 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2kfp s LYS 57 N -6.16 3.41 0.05 -0.67 2.20 -1.26 -4.79 119.74 112.52 2kfp s LYS 57 Ca 0.50 -0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 55.17 2kfp s LYS 57 Cb -0.22 -2.86 -0.06 0.00 -1.51 0.00 0.00 37.83 33.18 2kfp s LYS 57 CO 0.72 0.00 1.34 1.03 -0.36 0.00 0.00 175.35 178.08 2kfp s ARG 58 N 0.93 4.33 0.09 4.03 0.52 -1.26 0.78 118.95 128.37 2kfp s ARG 58 Ca -0.01 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 2kfp s ARG 58 Cb -0.15 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 2kfp s ARG 58 CO 0.00 -0.45 -0.03 0.14 0.02 0.00 0.00 175.30 174.98 2kfp s VAL 59 N 1.66 0.42 -0.18 3.52 -7.23 -1.07 -4.92 120.40 112.61 2kfp s VAL 59 Ca 0.62 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.80 2kfp s VAL 59 Cb -0.32 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2kfp s VAL 59 CO 0.28 -0.84 0.18 -1.81 -0.31 0.00 0.00 175.10 172.60 2kfp s ASP 60 N -3.00 6.29 0.11 4.85 1.01 -1.26 -2.64 116.67 122.02 2kfp s ASP 60 Ca 0.12 0.33 0.03 0.00 0.71 0.00 0.00 52.55 53.75 2kfp s ASP 60 Cb 0.07 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.84 2kfp s ASP 60 CO -0.05 0.18 -0.08 0.68 0.21 0.00 0.00 175.17 176.10 2kfp s VAL 61 N 0.26 0.85 0.04 -1.27 -7.23 -1.12 -1.88 120.40 110.05 2kfp s VAL 61 Ca 0.11 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.48 2kfp s VAL 61 Cb -0.12 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 2kfp s VAL 61 CO 0.00 -0.74 -0.12 0.27 -0.31 0.00 0.00 175.10 174.20 2kfp s ILE 62 N -3.14 0.96 -0.09 -0.62 -4.36 -0.95 -2.53 121.20 110.47 2kfp s ILE 62 Ca 0.10 -1.01 -0.00 0.00 -0.26 0.00 0.00 60.65 59.48 2kfp s ILE 62 Cb 0.02 -0.90 -0.03 0.00 1.25 0.00 0.00 42.46 42.80 2kfp s ILE 62 CO -0.02 -0.10 -0.07 -1.81 0.24 0.00 0.00 174.94 173.18 2kfp s ASP 63 N -1.25 4.56 0.06 4.36 1.01 -0.28 -1.28 116.67 123.85 2kfp s ASP 63 Ca -0.01 -0.09 0.01 0.00 0.71 0.00 0.00 52.55 53.16 2kfp s ASP 63 Cb -0.08 -1.33 -0.03 0.00 1.01 0.00 0.00 42.92 42.48 2kfp s ASP 63 CO 0.01 0.30 -0.05 -1.48 0.21 0.00 0.00 175.17 174.16 2kfp s LEU 64 N -0.41 2.42 0.14 1.23 0.05 -1.10 -3.11 118.68 117.89 2kfp s LEU 64 Ca 0.06 -0.85 -0.14 0.00 0.05 0.00 0.00 54.13 53.25 2kfp s LEU 64 Cb -0.12 0.03 -0.07 0.00 -2.05 0.00 0.00 46.19 43.98 2kfp s LEU 64 CO 0.02 -0.44 0.53 -1.59 -0.55 0.00 0.00 176.35 174.32 2kfp s LYS 65 N -3.12 3.96 0.09 1.48 -2.85 -1.26 -1.75 119.74 116.30 2kfp s LYS 65 Ca 0.02 0.47 -0.00 0.00 -1.00 0.00 0.00 55.97 55.46 2kfp s LYS 65 Cb 0.01 -2.95 -0.04 0.00 -2.06 0.00 0.00 37.83 32.79 2kfp s LYS 65 CO -0.05 0.49 -0.00 0.14 0.10 0.00 0.00 175.35 176.03 2kfp s VAL 66 N -1.44 0.28 0.67 1.79 -7.23 -1.02 -4.11 120.40 109.34 2kfp s VAL 66 Ca 0.37 -1.87 -0.14 0.00 -1.81 0.00 0.00 61.98 58.52 2kfp s VAL 66 Cb -0.15 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.03 2kfp s VAL 66 CO 0.19 -0.77 1.10 -1.10 -0.31 0.00 0.00 175.10 174.21 2kfp s GLN 67 N -3.95 2.79 0.51 4.82 -0.21 -1.26 -4.79 119.66 117.57 2kfp s GLN 67 Ca 0.15 1.34 0.34 0.00 0.02 0.00 0.00 55.36 57.21 2kfp s GLN 67 Cb 0.07 -1.95 1.71 0.00 1.00 0.00 0.00 33.01 33.84 2kfp s GLN 67 CO -0.04 -1.25 2.04 -1.00 -2.12 0.00 0.00 175.29 172.92 2kfp h PRO 68 N -0.08 0.00 0.00 2.91 0.13 -1.98 0.54 132.00 133.53 2kfp h PRO 68 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.38 2kfp h PRO 68 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2kfp h PRO 68 CO 0.54 0.00 -1.92 -1.91 -0.23 0.00 0.00 178.00 174.48 2kfp n GLU 69 N -2.81 0.65 0.00 0.86 2.13 -1.26 -4.12 120.64 116.09 2kfp n GLU 69 Ca -0.01 0.15 0.13 0.00 0.66 0.00 0.00 57.16 58.08 2kfp n GLU 69 Cb 0.15 -1.68 0.27 0.00 0.27 0.00 0.00 31.44 30.44 2kfp n GLU 69 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2kfp n LEU 70 N -2.87 1.71 0.14 4.31 4.77 -0.79 -4.13 117.00 120.14 2kfp n LEU 70 Ca -0.21 -0.56 0.03 0.00 -0.03 0.00 0.00 56.01 55.24 2kfp n LEU 70 Cb 1.03 -0.04 0.43 0.00 -2.33 0.00 0.00 43.42 42.51 2kfp n LEU 70 CO 0.44 0.30 0.93 1.62 -1.33 0.00 0.00 177.39 179.35 2kfp h VAL 71 N 2.35 1.15 0.00 4.08 3.04 -1.07 -1.36 116.25 124.44 2kfp h VAL 71 Ca 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 2kfp h VAL 71 Cb 0.65 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2kfp h VAL 71 CO 0.00 0.20 0.00 0.61 -1.01 0.00 0.00 177.57 177.37 2kfp n GLY 72 N -1.01 -1.65 0.18 3.17 0.00 -1.26 -2.68 105.19 101.95 2kfp n GLY 72 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2kfp n GLY 72 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kfp h SER 73 N 0.00 -0.30 1.33 1.61 0.87 -1.48 -3.20 113.55 112.37 2kfp h SER 73 Ca 0.00 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 2kfp h SER 73 Cb 0.68 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2kfp h SER 73 CO 0.00 0.16 -0.70 0.17 -0.53 0.00 0.00 176.83 175.94 2kfp h LEU 74 N -0.88 0.00 -0.52 2.23 -0.00 -1.68 -3.35 115.31 111.11 2kfp h LEU 74 Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.76 2kfp h LEU 74 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.15 2kfp h LEU 74 CO 0.06 0.31 -0.02 -0.09 -0.00 0.00 0.00 178.44 178.70 2kfp h ARG 75 N 0.00 0.93 0.00 0.17 2.43 -1.63 -2.65 114.38 113.63 2kfp h ARG 75 Ca -0.04 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2kfp h ARG 75 Cb 1.27 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2kfp h ARG 75 CO 0.03 0.96 0.00 0.36 -1.51 0.00 0.00 179.97 179.81 2kfp n LYS 76 N -4.28 0.20 -2.69 0.20 0.00 -1.21 -4.78 118.16 105.61 2kfp n LYS 76 Ca 0.01 0.07 -0.34 0.00 -0.00 0.00 0.00 58.31 58.05 2kfp n LYS 76 Cb 0.33 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.81 2kfp n LYS 76 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2kfp s LYS 77 N -2.76 4.09 0.71 -1.58 -0.14 -1.00 -5.02 119.74 114.04 2kfp s LYS 77 Ca 0.18 1.26 -0.14 0.00 -1.36 0.00 0.00 55.97 55.91 2kfp s LYS 77 Cb 0.16 -2.23 0.03 0.00 -1.68 0.00 0.00 37.83 34.11 2kfp s LYS 77 CO 0.40 -0.17 1.15 -1.25 -0.76 0.00 0.00 175.35 174.72 2kfp s PRO 78 N -3.05 2.39 0.00 -1.68 0.04 -1.26 -3.01 135.00 128.42 2kfp s PRO 78 Ca 0.63 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2kfp s PRO 78 Cb -0.14 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2kfp s PRO 78 CO 0.18 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 176.03 2kfp n GLY 79 N -0.17 1.83 3.56 0.56 0.00 -1.26 -4.82 105.19 104.88 2kfp n GLY 79 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.29 5.03 0.11 -0.61 1.01 -1.17 -1.93 121.20 123.35 2kfp s ILE 80 Ca 0.00 0.37 0.07 0.00 0.00 0.00 0.00 60.65 61.09 2kfp s ILE 80 Cb 0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2kfp s ILE 80 CO 0.00 -0.19 -0.09 -0.31 0.00 0.00 0.00 174.94 174.35 2kfp s TYR 81 N 2.37 2.74 0.61 3.97 1.51 -0.62 -4.69 117.35 123.24 2kfp s TYR 81 Ca 0.19 -0.16 -0.18 0.00 -1.01 0.00 0.00 57.07 55.91 2kfp s TYR 81 Cb -0.15 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.24 2kfp s TYR 81 CO 0.13 0.44 1.19 -1.25 -1.11 0.00 0.00 175.55 174.94 2kfp s PRO 82 N -2.27 2.92 0.43 -1.71 0.04 -1.26 -1.84 135.00 131.31 2kfp s PRO 82 Ca 0.22 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 2kfp s PRO 82 Cb -0.11 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2kfp s PRO 82 CO 0.14 -1.22 1.27 0.00 0.04 0.00 0.00 177.00 177.23 2kfp s ALA 83 N -1.73 3.15 -0.16 8.56 0.00 -1.26 -4.55 121.76 125.77 2kfp s ALA 83 Ca 0.75 1.16 -0.18 0.00 0.00 0.00 0.00 51.96 53.70 2kfp s ALA 83 Cb -0.28 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 2kfp s ALA 83 CO 0.34 -0.82 0.49 1.52 0.00 0.00 0.00 175.76 177.28 2kfp s TYR 84 N -1.33 3.43 -1.74 0.00 -0.85 -1.26 -4.28 117.35 111.33 2kfp s TYR 84 Ca 0.60 0.80 -0.15 0.00 -0.52 0.00 0.00 57.07 57.80 2kfp s TYR 84 Cb -0.36 -2.60 0.14 0.00 0.38 0.00 0.00 41.96 39.53 2kfp s TYR 84 CO 0.45 0.03 0.45 1.58 -1.52 0.00 0.00 175.55 176.54 2kfp n HIS 85 N 4.26 -1.31 -3.11 -3.49 -0.00 -1.26 -4.84 115.22 105.46 2kfp n HIS 85 Ca -0.06 0.69 -0.19 0.00 -0.00 0.00 0.00 57.72 58.16 2kfp n HIS 85 Cb 0.51 -2.41 -0.03 0.00 -0.00 0.00 0.00 29.99 28.06 2kfp n HIS 85 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2kfp n MET 86 N -4.28 0.84 0.00 1.57 2.81 -1.26 -4.97 117.12 111.83 2kfp n MET 86 Ca -0.04 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 52.81 2kfp n MET 86 Cb 0.54 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 2kfp n MET 86 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2kfp n ASN 87 N 0.91 0.00 0.00 7.83 3.02 -1.26 -4.42 115.26 121.34 2kfp n ASN 87 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2kfp n ASN 87 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 2kfp n ASN 87 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2kfp n LYS 88 N 0.00 0.00 0.12 3.52 4.81 -1.26 -4.20 118.16 121.15 2kfp n LYS 88 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 2kfp n LYS 88 Cb 0.00 -0.69 0.02 0.00 0.02 0.00 0.00 35.03 34.38 2kfp n LYS 88 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2kfp h GLU 89 N 0.00 0.00 0.00 1.64 4.81 -1.95 -3.41 114.58 115.68 2kfp h GLU 89 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2kfp h GLU 89 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kfp h GLU 89 CO 0.00 0.01 -0.86 0.72 -0.73 0.00 0.00 179.01 178.15 2kfp n HIS 90 N -2.74 0.30 -4.28 0.92 8.25 -1.26 -4.72 115.22 111.68 2kfp n HIS 90 Ca 0.00 0.13 -0.35 0.00 -0.26 0.00 0.00 57.72 57.24 2kfp n HIS 90 Cb 0.56 -0.59 -0.09 0.00 1.12 0.00 0.00 29.99 30.98 2kfp n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kfp s TRP 91 N -2.69 3.22 -0.03 4.41 0.51 -1.26 -2.44 118.94 120.65 2kfp s TRP 91 Ca -0.25 0.22 0.07 0.00 -2.12 0.00 0.00 56.10 54.03 2kfp s TRP 91 Cb 0.04 -1.79 -0.02 0.00 -0.81 0.00 0.00 33.47 30.89 2kfp s TRP 91 CO 0.37 0.51 -0.24 0.42 -0.51 0.00 0.00 176.95 177.49 2kfp s ILE 92 N -0.95 1.93 0.03 2.03 -1.09 -0.71 -4.01 121.20 118.43 2kfp s ILE 92 Ca 0.15 -1.03 -0.24 0.00 -2.23 0.00 0.00 60.65 57.30 2kfp s ILE 92 Cb -0.11 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 39.10 2kfp s ILE 92 CO 0.04 0.54 0.74 -0.89 -1.23 0.00 0.00 174.94 174.15 2kfp s THR 93 N -0.44 4.77 -0.06 2.92 2.01 -0.77 -2.70 115.64 121.38 2kfp s THR 93 Ca 0.05 1.56 0.06 0.00 0.31 0.00 0.00 61.69 63.68 2kfp s THR 93 Cb -0.11 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 2kfp s THR 93 CO 0.00 0.37 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.37 2kfp s VAL 94 N -0.05 2.12 -0.50 3.82 1.01 -0.40 -1.59 120.40 124.80 2kfp s VAL 94 Ca 0.37 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 2kfp s VAL 94 Cb -0.20 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.45 2kfp s VAL 94 CO 0.22 0.57 0.79 -0.22 0.00 0.00 0.00 175.10 176.45 2kfp s LEU 95 N -0.12 4.41 0.20 3.92 2.96 -0.81 -2.24 118.68 126.99 2kfp s LEU 95 Ca -0.05 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.35 2kfp s LEU 95 Cb -0.14 -2.75 0.12 0.00 0.50 0.00 0.00 46.19 43.92 2kfp s LEU 95 CO 0.04 -1.01 1.66 -0.07 -1.32 0.00 0.00 176.35 175.64 2kfp h LEU 96 N 10.29 1.00 0.00 -0.68 3.38 -1.70 -1.82 115.31 125.77 2kfp h LEU 96 Ca -0.26 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2kfp h LEU 96 Cb 1.08 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2kfp h LEU 96 CO 1.00 1.06 0.00 0.59 0.09 0.00 0.00 178.44 181.18 2kfp n ASN 97 N -4.17 0.00 -2.45 -0.43 3.02 -1.25 -4.04 115.26 105.94 2kfp n ASN 97 Ca 0.03 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 2kfp n ASN 97 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 2kfp n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kfp n GLY 98 N 0.37 -1.12 0.40 7.41 0.00 -0.68 -4.92 105.19 106.64 2kfp n GLY 98 Ca 0.12 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.64 1.50 0.00 1.61 -0.04 -1.26 -4.71 135.00 131.46 2kfp n PRO 99 Ca 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 2kfp n PRO 99 Cb 0.00 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 2kfp n PRO 99 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kfp n LEU 100 N 0.09 0.00 0.00 1.53 7.99 -1.26 -5.06 117.00 120.29 2kfp n LEU 100 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 2kfp n LEU 100 Cb 0.19 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 2kfp n LEU 100 CO 0.05 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.54 2kfp n GLY 101 N 0.00 4.45 0.18 -0.72 0.00 -1.26 -4.75 105.19 103.09 2kfp n GLY 101 Ca 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.68 2kfp n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfp h ALA 102 N 0.00 0.53 -0.57 4.61 0.00 -1.97 0.24 119.26 122.10 2kfp h ALA 102 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2kfp h ALA 102 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2kfp h ALA 102 CO 0.00 -0.11 0.20 0.87 0.00 0.00 0.00 179.25 180.22 2kfp h LYS 103 N 0.47 0.87 -0.45 0.00 1.57 -1.99 -0.62 116.57 116.41 2kfp h LYS 103 Ca 0.17 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2kfp h LYS 103 Cb 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2kfp h LYS 103 CO -0.10 0.77 0.01 1.49 -0.57 0.00 0.00 179.45 181.05 2kfp h GLU 104 N 0.79 0.80 -0.50 3.15 4.57 -1.72 -2.64 114.58 119.02 2kfp h GLU 104 Ca 0.19 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2kfp h GLU 104 Cb 0.24 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2kfp h GLU 104 CO -0.01 0.85 0.15 0.82 -1.18 0.00 0.00 179.01 179.64 2kfp h ILE 105 N 0.64 1.23 -0.70 2.32 2.04 -0.34 -2.54 117.51 120.16 2kfp h ILE 105 Ca 0.13 -0.79 0.08 0.00 1.00 0.00 0.00 64.86 65.29 2kfp h ILE 105 Cb 0.48 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 2kfp h ILE 105 CO 0.02 0.29 0.36 0.45 0.00 0.00 0.00 178.15 179.27 2kfp h HIS 106 N 0.69 0.65 -0.73 1.37 3.86 -0.96 0.10 115.15 120.13 2kfp h HIS 106 Ca 0.16 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2kfp h HIS 106 Cb 0.29 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.54 2kfp h HIS 106 CO 0.02 0.25 0.44 0.77 0.86 0.00 0.00 177.93 180.27 2kfp h SER 107 N 0.62 0.88 -0.57 2.45 0.02 -1.17 -0.15 113.55 115.63 2kfp h SER 107 Ca 0.34 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.20 2kfp h SER 107 Cb 0.32 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2kfp h SER 107 CO -0.25 0.68 0.24 -0.07 -1.14 0.00 0.00 176.83 176.29 2kfp h LEU 108 N 1.00 0.79 -0.52 5.07 3.38 -0.76 -1.74 115.31 122.52 2kfp h LEU 108 Ca 0.26 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2kfp h LEU 108 Cb -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2kfp h LEU 108 CO -0.05 0.73 0.16 0.40 0.09 0.00 0.00 178.44 179.77 2kfp h ILE 109 N 0.79 1.23 -0.81 1.22 2.04 -0.55 -2.20 117.51 119.23 2kfp h ILE 109 Ca 0.19 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2kfp h ILE 109 Cb 0.19 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2kfp h ILE 109 CO -0.02 0.29 0.53 -0.08 0.00 0.00 0.00 178.15 178.88 2kfp h GLU 110 N 0.71 0.95 -0.49 2.37 4.57 -0.71 0.52 114.58 122.51 2kfp h GLU 110 Ca 0.17 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 2kfp h GLU 110 Cb 0.28 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2kfp h GLU 110 CO -0.00 0.63 0.17 -0.44 -1.18 0.00 0.00 179.01 178.19 2kfp h ASP 111 N 0.98 0.65 1.52 1.04 3.32 -0.73 -1.41 116.42 121.79 2kfp h ASP 111 Ca 0.33 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 2kfp h ASP 111 Cb 0.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2kfp h ASP 111 CO -0.10 0.60 -0.49 0.77 -1.72 0.00 0.00 179.24 178.30 2kfp h SER 112 N 0.70 0.00 -0.50 6.45 4.64 -0.39 -3.31 113.55 121.14 2kfp h SER 112 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2kfp h SER 112 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2kfp h SER 112 CO -0.01 0.36 0.27 0.15 -0.87 0.00 0.00 176.83 176.73 2kfp h PHE 113 N 0.00 0.70 -0.94 4.77 3.57 0.10 -2.40 116.94 122.74 2kfp h PHE 113 Ca -0.02 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.65 2kfp h PHE 113 Cb 1.29 -0.22 -0.11 0.00 2.79 0.00 0.00 35.95 39.70 2kfp h PHE 113 CO 0.00 0.52 0.52 -0.56 -2.23 0.00 0.00 178.31 176.56 2kfp h GLN 114 N 0.67 0.63 -0.69 1.11 3.07 -1.58 0.36 115.11 118.69 2kfp h GLN 114 Ca 0.18 -0.04 -0.07 0.00 0.09 0.00 0.00 58.65 58.81 2kfp h GLN 114 Cb 0.05 -0.14 -0.03 0.00 0.08 0.00 0.00 27.48 27.44 2kfp h GLN 114 CO -0.03 0.42 0.14 -0.07 0.09 0.00 0.00 178.83 179.38 2kfp h LEU 115 N 0.65 1.06 -2.22 0.06 3.38 -1.61 -2.24 115.31 114.39 2kfp h LEU 115 Ca 0.54 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2kfp h LEU 115 Cb 0.86 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kfp h LEU 115 CO -0.40 1.03 0.00 0.35 0.09 0.00 0.00 178.44 179.50 2kfp n THR 116 N -4.22 1.21 -1.74 0.22 -2.24 0.38 -4.95 114.28 102.93 2kfp n THR 116 Ca 0.05 -0.78 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 2kfp n THR 116 Cb 0.27 -0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 2kfp n THR 116 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2kfp n ARG 117 N 0.67 2.28 -2.58 -0.78 1.85 0.10 -4.94 116.66 113.25 2kfp n ARG 117 Ca 0.17 0.80 -0.35 0.00 -1.00 0.00 0.00 57.85 57.47 2kfp n ARG 117 Cb 0.63 -2.51 -0.04 0.00 -1.05 0.00 0.00 32.46 29.49 2kfp n ARG 117 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2kfp s LEU 118 N -1.86 4.01 0.28 2.89 1.43 -1.26 -4.98 118.68 119.19 2kfp s LEU 118 Ca 0.57 1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 55.33 2kfp s LEU 118 Cb -0.50 -4.36 -0.10 0.00 0.03 0.00 0.00 46.19 41.26 2kfp s LEU 118 CO 0.61 -0.57 1.42 -0.70 0.23 0.00 0.00 176.35 177.34 2kfp s GLU 119 N -2.84 4.27 -0.19 1.70 2.12 -1.26 -5.01 118.70 117.49 2kfp s GLU 119 Ca 0.62 2.32 -0.16 0.00 0.36 0.00 0.00 54.97 58.10 2kfp s GLU 119 Cb -0.18 -3.09 0.05 0.00 0.26 0.00 0.00 34.13 31.17 2kfp s GLU 119 CO 0.23 -0.39 0.50 -1.58 -0.54 0.00 0.00 175.26 173.48 2kfp s HIS 120 N -0.33 -0.59 0.31 5.30 2.46 -1.26 -5.15 115.29 116.02 2kfp s HIS 120 Ca 0.57 1.39 -0.22 0.00 0.47 0.00 0.00 55.06 57.27 2kfp s HIS 120 Cb -0.42 0.23 -0.09 0.00 -0.13 0.00 0.00 32.58 32.16 2kfp s HIS 120 CO 0.47 -0.29 0.86 -1.01 -2.47 0.00 0.00 174.74 172.29 2kfp s HIS 121 N 0.51 3.58 0.19 3.88 3.76 -1.26 -4.97 115.29 120.98 2kfp s HIS 121 Ca -0.02 1.57 -0.12 0.00 -0.15 0.00 0.00 55.06 56.35 2kfp s HIS 121 Cb -0.04 -2.77 0.11 0.00 1.11 0.00 0.00 32.58 30.98 2kfp s HIS 121 CO -0.03 0.18 1.81 0.45 -0.85 0.00 0.00 174.74 176.31 2kfp h HIS 122 N 2.93 0.89 -3.42 1.40 3.86 -2.05 -3.38 115.15 115.38 2kfp h HIS 122 Ca -0.48 -0.02 -0.71 0.00 -1.16 0.00 0.00 60.37 58.01 2kfp h HIS 122 Cb 1.19 -0.29 -0.20 0.00 1.06 0.00 0.00 27.41 29.17 2kfp h HIS 122 CO 0.62 0.63 -0.27 -3.38 0.86 0.00 0.00 177.93 176.38 2kfp s HIS 123 N -5.89 3.20 -0.07 2.45 -3.43 -1.26 -5.04 115.29 105.24 2kfp s HIS 123 Ca -0.13 -0.62 -0.00 0.00 -0.80 0.00 0.00 55.06 53.51 2kfp s HIS 123 Cb 0.14 -2.97 0.02 0.00 -1.43 0.00 0.00 32.58 28.34 2kfp s HIS 123 CO 0.78 -0.74 -0.04 -1.58 -2.00 0.00 0.00 174.74 171.16 2kfp s HIS 124 N 1.93 0.97 -0.66 0.38 2.46 -1.26 -5.23 115.29 113.88 2kfp s HIS 124 Ca 0.08 -0.36 0.05 0.00 0.47 0.00 0.00 55.06 55.31 2kfp s HIS 124 Cb -0.20 -0.89 0.04 0.00 -0.13 0.00 0.00 32.58 31.40 2kfp s HIS 124 CO 0.10 -0.33 0.67 -2.39 -2.47 0.00 0.00 174.74 170.32