#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 5.17 0.18 6.12 2.20 -1.26 -4.56 114.94 122.79 2kfp s ASN 2 Ca 0.00 0.03 -0.11 0.00 -0.94 0.00 0.00 52.86 51.84 2kfp s ASN 2 Cb 0.00 -0.86 0.09 0.00 -2.00 0.00 0.00 41.25 38.47 2kfp s ASN 2 CO 0.00 -1.24 1.73 -0.09 -2.94 0.00 0.00 177.10 174.56 2kfp h ARG 3 N -0.04 0.95 -0.83 3.55 2.43 -2.00 -2.72 114.38 115.72 2kfp h ARG 3 Ca -0.42 -0.18 0.16 0.00 -0.81 0.00 0.00 59.98 58.72 2kfp h ARG 3 Cb 1.30 -0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 30.60 2kfp h ARG 3 CO 0.53 0.81 0.40 0.37 -1.51 0.00 0.00 179.97 180.57 2kfp h GLN 4 N 0.88 0.53 -0.45 0.20 5.75 -2.00 0.15 115.11 120.17 2kfp h GLN 4 Ca 0.21 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.57 2kfp h GLN 4 Cb 0.23 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2kfp h GLN 4 CO -0.01 0.35 -0.13 1.96 -2.65 0.00 0.00 178.83 178.35 2kfp h GLN 5 N 0.54 0.83 -0.54 1.69 1.08 -1.88 -2.47 115.11 114.36 2kfp h GLN 5 Ca 0.47 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2kfp h GLN 5 Cb 0.71 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 2kfp h GLN 5 CO -0.40 0.91 0.31 0.35 -0.95 0.00 0.00 178.83 179.05 2kfp h PHE 6 N 0.74 0.72 -0.26 2.96 3.57 -0.50 0.16 116.94 124.33 2kfp h PHE 6 Ca 0.12 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2kfp h PHE 6 Cb 0.63 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2kfp h PHE 6 CO 0.03 0.52 0.10 0.82 -2.23 0.00 0.00 178.31 177.55 2kfp h ILE 7 N 0.72 1.18 -0.33 1.41 1.08 -1.08 0.26 117.51 120.75 2kfp h ILE 7 Ca 0.19 -0.55 -0.03 0.00 -0.39 0.00 0.00 64.86 64.08 2kfp h ILE 7 Cb 0.02 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2kfp h ILE 7 CO -0.03 0.19 0.11 0.44 -0.69 0.00 0.00 178.15 178.16 2kfp h ASP 8 N 0.27 0.48 -0.48 1.72 3.32 -1.20 -1.88 116.42 118.65 2kfp h ASP 8 Ca 0.09 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 2kfp h ASP 8 Cb 0.20 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2kfp h ASP 8 CO -0.01 0.55 -0.00 0.22 -1.72 0.00 0.00 179.24 178.28 2kfp h TYR 9 N 0.39 0.93 -0.70 4.55 5.03 -0.55 -2.18 116.97 124.45 2kfp h TYR 9 Ca 0.11 -0.16 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 2kfp h TYR 9 Cb 0.24 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 2kfp h TYR 9 CO 0.01 0.88 0.39 0.00 -1.32 0.00 0.00 178.16 178.12 2kfp h ALA 10 N 0.92 0.89 -0.53 1.82 0.00 -0.37 -1.76 119.26 120.24 2kfp h ALA 10 Ca 0.14 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2kfp h ALA 10 Cb 0.52 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2kfp h ALA 10 CO 0.03 0.40 0.04 1.96 0.00 0.00 0.00 179.25 181.67 2kfp h GLN 11 N 0.96 0.92 -0.12 0.00 4.20 -1.23 0.54 115.11 120.37 2kfp h GLN 11 Ca 0.25 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2kfp h GLN 11 Cb 0.02 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2kfp h GLN 11 CO -0.04 0.91 -0.06 -0.22 -0.67 0.00 0.00 178.83 178.75 2kfp h LYS 12 N 0.79 0.18 0.07 1.46 3.64 -1.06 1.99 116.57 123.65 2kfp h LYS 12 Ca 0.16 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.24 2kfp h LYS 12 Cb 0.47 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2kfp h LYS 12 CO 0.02 0.26 -1.42 -0.22 -2.27 0.00 0.00 179.45 175.82 2kfp h LYS 13 N 0.18 0.16 0.00 1.90 1.63 -0.86 -3.40 116.57 116.17 2kfp h LYS 13 Ca 0.04 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2kfp h LYS 13 Cb 0.23 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2kfp h LYS 13 CO 0.01 1.13 -1.02 0.66 -3.45 0.00 0.00 179.45 176.78 2kfp n TYR 14 N -4.03 0.00 -3.02 1.91 4.01 0.18 -4.98 117.16 111.23 2kfp n TYR 14 Ca -0.28 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.25 2kfp n TYR 14 Cb 0.84 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 39.76 2kfp n TYR 14 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2kfp n ASP 15 N -1.57 -4.83 -4.20 7.72 8.00 0.67 -4.94 116.55 117.39 2kfp n ASP 15 Ca 0.01 -0.23 -0.30 0.00 0.71 0.00 0.00 54.79 54.97 2kfp n ASP 15 Cb 0.27 -3.97 -0.17 0.00 -0.02 0.00 0.00 41.12 37.23 2kfp n ASP 15 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2kfp s THR 16 N -2.99 1.89 0.42 -3.53 2.01 -1.26 -5.03 115.64 107.15 2kfp s THR 16 Ca 0.27 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 61.18 2kfp s THR 16 Cb -0.13 -1.62 -0.09 0.00 0.01 0.00 0.00 72.50 70.67 2kfp s THR 16 CO 0.34 0.52 0.86 -0.54 -0.69 0.00 0.00 174.62 175.11 2kfp s LYS 17 N 0.20 3.99 0.18 4.92 1.02 -1.26 -4.55 119.74 124.23 2kfp s LYS 17 Ca -0.12 0.80 -0.33 0.00 0.02 0.00 0.00 55.97 56.34 2kfp s LYS 17 Cb -0.16 -2.29 -0.16 0.00 -0.52 0.00 0.00 37.83 34.71 2kfp s LYS 17 CO 0.06 -0.04 1.17 -2.30 -0.92 0.00 0.00 175.35 173.31 2kfp n PRO 18 N -0.96 1.19 -3.82 -1.68 -0.02 -1.26 -4.96 135.00 123.49 2kfp n PRO 18 Ca 0.05 0.42 -0.36 0.00 -2.02 0.00 0.00 63.50 61.59 2kfp n PRO 18 Cb 0.54 -1.92 -0.12 0.00 -0.02 0.00 0.00 33.50 31.97 2kfp n PRO 18 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kfp s ASP 19 N -0.01 5.17 -0.31 2.55 -1.08 -0.91 -4.87 116.67 117.21 2kfp s ASP 19 Ca 0.73 -0.17 -0.24 0.00 -0.52 0.00 0.00 52.55 52.34 2kfp s ASP 19 Cb -0.84 -1.92 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 2kfp s ASP 19 CO 0.52 -0.00 0.84 -1.00 0.52 0.00 0.00 175.17 176.06 2kfp s HIS 20 N 1.42 3.19 0.00 -5.34 3.76 -1.26 -0.90 115.29 116.15 2kfp s HIS 20 Ca 0.05 0.87 0.00 0.00 -0.15 0.00 0.00 55.06 55.84 2kfp s HIS 20 Cb -0.15 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.22 2kfp s HIS 20 CO 0.03 -0.61 0.00 -0.35 -0.85 0.00 0.00 174.74 172.96 2kfp n PRO 21 N 6.34 0.00 -2.81 8.40 -0.04 -1.26 -4.90 135.00 140.73 2kfp n PRO 21 Ca 0.05 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 2kfp n PRO 21 Cb 0.48 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.89 2kfp n PRO 21 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kfp s TRP 22 N 0.00 3.89 0.39 0.54 0.51 -1.26 -4.94 118.94 118.06 2kfp s TRP 22 Ca 0.00 1.78 0.12 0.00 -2.12 0.00 0.00 56.10 55.88 2kfp s TRP 22 Cb 0.00 -2.95 0.79 0.00 -0.81 0.00 0.00 33.47 30.50 2kfp s TRP 22 CO 0.00 0.36 1.88 1.05 -0.51 0.00 0.00 176.95 179.73 2kfp h GLU 23 N 4.85 0.08 0.00 4.98 -0.00 -2.02 -2.00 114.58 120.47 2kfp h GLU 23 Ca -0.44 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 2kfp h GLU 23 Cb 1.21 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2kfp h GLU 23 CO 0.69 0.34 0.00 1.63 -0.00 0.00 0.00 179.01 181.67 2kfp n LYS 24 N -4.20 0.37 -3.16 1.06 5.02 -1.26 -3.64 118.16 112.36 2kfp n LYS 24 Ca -0.02 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 2kfp n LYS 24 Cb 0.33 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.03 -1.10 0.30 2.13 3.72 -0.75 -4.94 117.46 115.78 2kfp n PHE 25 Ca 0.09 -3.13 0.15 0.00 -0.05 0.00 0.00 57.45 54.51 2kfp n PHE 25 Cb 0.05 0.16 0.54 0.00 -0.94 0.00 0.00 39.48 39.29 2kfp n PHE 25 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kfp h PRO 26 N 4.46 0.00 -0.00 -1.08 0.13 -1.71 -2.57 132.00 131.23 2kfp h PRO 26 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2kfp h PRO 26 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2kfp h PRO 26 CO 0.40 0.00 -0.03 -0.25 -0.23 0.00 0.00 178.00 177.89 2kfp n ASP 27 N -2.93 0.13 -4.84 1.44 8.00 -1.26 -4.77 116.55 112.31 2kfp n ASP 27 Ca 0.02 -0.44 -0.37 0.00 0.71 0.00 0.00 54.79 54.71 2kfp n ASP 27 Cb 0.35 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.21 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 -2.42 3.66 0.07 1.24 1.51 -0.97 -4.73 117.35 115.70 2kfp s TYR 28 Ca 0.33 0.78 0.08 0.00 -1.01 0.00 0.00 57.07 57.25 2kfp s TYR 28 Cb 0.21 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 2kfp s TYR 28 CO 0.44 0.64 -0.23 0.00 -1.11 0.00 0.00 175.55 175.30 2kfp s ALA 29 N -0.92 1.97 -0.07 3.71 0.00 -1.03 -4.56 121.76 120.85 2kfp s ALA 29 Ca 0.20 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.98 2kfp s ALA 29 Cb -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2kfp s ALA 29 CO 0.09 0.44 -0.13 0.08 0.00 0.00 0.00 175.76 176.24 2kfp s VAL 30 N -0.90 1.22 -0.24 0.00 1.01 -0.08 -2.11 120.40 119.30 2kfp s VAL 30 Ca 0.09 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2kfp s VAL 30 Cb -0.09 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.21 2kfp s VAL 30 CO 0.03 0.38 -0.11 -0.36 0.00 0.00 0.00 175.10 175.04 2kfp s PHE 31 N 0.67 3.09 0.10 5.22 0.08 0.23 -2.15 117.98 125.23 2kfp s PHE 31 Ca -0.14 -1.91 -0.08 0.00 0.12 0.00 0.00 56.93 54.91 2kfp s PHE 31 Cb -0.16 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.31 2kfp s PHE 31 CO 0.04 -0.82 0.19 -0.98 -0.10 0.00 0.00 175.22 173.56 2kfp s ARG 32 N 1.22 0.90 -0.17 0.44 1.70 -1.26 -3.26 118.95 118.52 2kfp s ARG 32 Ca -0.03 -1.04 -0.13 0.00 -0.47 0.00 0.00 55.73 54.06 2kfp s ARG 32 Cb -0.17 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 2kfp s ARG 32 CO -0.06 -0.29 0.28 -1.01 -1.08 0.00 0.00 175.30 173.13 2kfp s HIS 33 N -3.89 3.44 0.15 5.89 3.76 -1.26 -4.95 115.29 118.42 2kfp s HIS 33 Ca 0.08 0.54 0.33 0.00 -0.15 0.00 0.00 55.06 55.87 2kfp s HIS 33 Cb 0.05 -2.33 1.38 0.00 1.11 0.00 0.00 32.58 32.78 2kfp s HIS 33 CO -0.08 0.21 1.99 0.77 -0.85 0.00 0.00 174.74 176.78 2kfp h SER 34 N 6.79 0.00 -0.35 1.40 0.02 -2.01 2.16 113.55 121.57 2kfp h SER 34 Ca -0.40 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 2kfp h SER 34 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 2kfp h SER 34 CO 0.75 0.03 0.13 0.44 -1.14 0.00 0.00 176.83 177.04 2kfp h ASP 35 N 0.00 0.48 0.00 3.07 3.32 -2.04 -3.39 116.42 117.87 2kfp h ASP 35 Ca -0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2kfp h ASP 35 Cb 0.50 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2kfp h ASP 35 CO 0.00 0.53 -0.72 0.59 -1.72 0.00 0.00 179.24 177.92 2kfp n ASN 36 N -4.69 3.55 -1.91 6.45 3.02 -1.16 -5.00 115.26 115.53 2kfp n ASN 36 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.43 2kfp n ASN 36 Cb 0.15 0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 2kfp n ASN 36 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2kfp n ASP 37 N -1.63 -3.32 -0.09 6.41 5.68 0.73 -4.75 116.55 119.59 2kfp n ASP 37 Ca 0.00 0.25 0.12 0.00 -0.50 0.00 0.00 54.79 54.66 2kfp n ASP 37 Cb 0.36 -2.98 0.21 0.00 -1.14 0.00 0.00 41.12 37.56 2kfp n ASP 37 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2kfp n LYS 38 N -2.28 0.27 -3.42 0.11 5.02 -1.26 -4.89 118.16 111.71 2kfp n LYS 38 Ca -0.12 -0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 55.65 2kfp n LYS 38 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 2kfp n LYS 38 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2kfp s TRP 39 N -2.85 3.55 -0.13 2.13 0.23 -1.26 -5.08 118.94 115.52 2kfp s TRP 39 Ca 0.14 0.95 0.02 0.00 -2.03 0.00 0.00 56.10 55.18 2kfp s TRP 39 Cb 0.18 -2.29 0.01 0.00 0.03 0.00 0.00 33.47 31.40 2kfp s TRP 39 CO 0.68 0.40 -0.18 0.71 0.96 0.00 0.00 176.95 179.52 2kfp s TYR 40 N -1.56 2.32 -0.27 -1.98 1.51 -1.26 -4.72 117.35 111.38 2kfp s TYR 40 Ca 0.40 -1.17 -0.00 0.00 -1.01 0.00 0.00 57.07 55.29 2kfp s TYR 40 Cb -0.14 -1.63 0.16 0.00 -0.11 0.00 0.00 41.96 40.25 2kfp s TYR 40 CO 0.20 -0.57 0.44 0.00 -1.11 0.00 0.00 175.55 174.50 2kfp s ALA 41 N 0.99 -1.42 0.06 3.71 0.00 -1.20 -4.43 121.76 119.46 2kfp s ALA 41 Ca -0.05 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.78 2kfp s ALA 41 Cb -0.15 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 2kfp s ALA 41 CO -0.03 -1.49 -0.11 -0.48 0.00 0.00 0.00 175.76 173.64 2kfp s LEU 42 N 2.62 2.25 -0.12 0.00 2.34 -1.26 0.75 118.68 125.25 2kfp s LEU 42 Ca 0.13 -0.56 0.03 0.00 0.06 0.00 0.00 54.13 53.78 2kfp s LEU 42 Cb -0.14 -0.38 0.00 0.00 -0.56 0.00 0.00 46.19 45.11 2kfp s LEU 42 CO -0.22 -0.11 -0.21 -0.22 -1.06 0.00 0.00 176.35 174.52 2kfp s LEU 43 N -1.58 2.21 0.18 1.48 0.20 -0.90 -2.47 118.68 117.81 2kfp s LEU 43 Ca -0.05 -0.54 -0.17 0.00 0.69 0.00 0.00 54.13 54.07 2kfp s LEU 43 Cb -0.10 -1.46 0.03 0.00 -0.43 0.00 0.00 46.19 44.23 2kfp s LEU 43 CO 0.01 0.13 0.49 0.00 -0.29 0.00 0.00 176.35 176.70 2kfp s MET 44 N 0.53 1.32 0.10 1.98 0.23 -1.11 -2.47 119.30 119.89 2kfp s MET 44 Ca -0.13 -0.85 -0.10 0.00 -1.03 0.00 0.00 55.69 53.57 2kfp s MET 44 Cb -0.17 0.51 -0.06 0.00 -1.53 0.00 0.00 34.83 33.58 2kfp s MET 44 CO 0.04 -0.55 0.43 0.16 -2.03 0.00 0.00 175.02 173.07 2kfp s ASP 45 N -2.87 6.66 -0.09 -1.18 -4.77 -1.26 -2.73 116.67 110.43 2kfp s ASP 45 Ca 0.09 0.83 -0.23 0.00 -3.30 0.00 0.00 52.55 49.93 2kfp s ASP 45 Cb -0.00 -2.19 0.05 0.00 -1.09 0.00 0.00 42.92 39.69 2kfp s ASP 45 CO -0.04 0.14 0.54 0.27 0.70 0.00 0.00 175.17 176.78 2kfp s ILE 46 N -1.44 0.02 0.42 2.11 -4.36 -1.06 -4.96 121.20 111.93 2kfp s ILE 46 Ca 0.35 -0.13 -0.26 0.00 -0.26 0.00 0.00 60.65 60.34 2kfp s ILE 46 Cb -0.14 -0.83 -0.10 0.00 1.25 0.00 0.00 42.46 42.65 2kfp s ILE 46 CO 0.19 -0.07 1.44 -0.81 0.24 0.00 0.00 174.94 175.92 2kfp n PRO 47 N 1.58 2.38 0.31 0.37 -0.04 -1.26 -1.72 135.00 136.62 2kfp n PRO 47 Ca -0.18 0.84 0.20 0.00 -0.04 0.00 0.00 63.50 64.32 2kfp n PRO 47 Cb 0.56 -2.62 0.98 0.00 -0.04 0.00 0.00 33.50 32.38 2kfp n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kfp h ALA 48 N 2.51 1.02 0.00 0.55 0.00 -1.40 -2.62 119.26 119.32 2kfp h ALA 48 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kfp h ALA 48 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kfp h ALA 48 CO 0.62 0.01 0.22 1.05 0.00 0.00 0.00 179.25 181.14 2kfp h GLU 49 N 0.00 0.00 0.00 0.00 4.11 -1.58 0.89 114.58 118.00 2kfp h GLU 49 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 2kfp h GLU 49 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2kfp h GLU 49 CO 0.00 0.00 -0.86 0.87 0.07 0.00 0.00 179.01 179.09 2kfp h LYS 50 N 0.00 0.00 -0.59 1.06 1.57 -1.74 -3.29 116.57 113.59 2kfp h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kfp h LYS 50 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2kfp h LYS 50 CO 0.00 0.27 0.00 0.44 -0.57 0.00 0.00 179.45 179.59 2kfp n ILE 51 N -2.99 0.88 -0.06 1.86 -5.35 0.28 -4.89 119.36 109.10 2kfp n ILE 51 Ca -0.02 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 2kfp n ILE 51 Cb 0.71 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 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 1.37 0.97 3.71 3.28 0.00 -1.19 -5.03 105.19 108.29 2kfp n GLY 52 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.40 4.69 0.23 -0.61 1.01 -1.08 -4.92 121.20 118.12 2kfp s ILE 53 Ca 0.00 1.93 -0.07 0.00 0.00 0.00 0.00 60.65 62.51 2kfp s ILE 53 Cb 0.00 -4.24 0.19 0.00 0.01 0.00 0.00 42.46 38.42 2kfp s ILE 53 CO 0.00 0.15 1.83 0.78 0.00 0.00 0.00 174.94 177.70 2kfp h ASN 54 N 6.80 1.11 -1.21 3.58 2.35 -1.93 -3.11 115.58 123.17 2kfp h ASN 54 Ca -0.41 -0.13 -0.73 0.00 -0.55 0.00 0.00 56.30 54.48 2kfp h ASN 54 Cb 1.22 -0.29 0.07 0.00 0.05 0.00 0.00 38.32 39.37 2kfp h ASN 54 CO 0.76 0.93 -0.02 0.61 -1.65 0.00 0.00 177.43 178.06 2kfp n GLY 55 N -1.04 -0.53 0.52 2.83 0.00 -1.26 -4.72 105.19 101.00 2kfp n GLY 55 Ca 0.09 0.61 0.12 0.00 0.00 0.00 0.00 46.02 46.84 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 1.78 1.59 -4.77 1.61 5.68 -1.26 -3.51 116.55 117.67 2kfp n ASP 56 Ca 0.19 -1.64 -0.38 0.00 -0.50 0.00 0.00 54.79 52.45 2kfp n ASP 56 Cb 0.16 -0.07 -0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2kfp n ASP 56 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2kfp s LYS 57 N -1.85 3.77 0.22 0.11 -2.85 -1.26 -4.53 119.74 113.35 2kfp s LYS 57 Ca 0.34 2.00 -0.17 0.00 -1.00 0.00 0.00 55.97 57.14 2kfp s LYS 57 Cb 0.18 -2.55 -0.08 0.00 -2.06 0.00 0.00 37.83 33.32 2kfp s LYS 57 CO 0.28 -0.60 0.67 -0.98 0.10 0.00 0.00 175.35 174.82 2kfp s ARG 58 N -2.50 4.13 0.17 1.78 1.70 -1.26 -1.48 118.95 121.48 2kfp s ARG 58 Ca 0.61 0.72 0.05 0.00 -0.47 0.00 0.00 55.73 56.64 2kfp s ARG 58 Cb -0.34 -2.82 -0.05 0.00 -0.57 0.00 0.00 34.95 31.17 2kfp s ARG 58 CO 0.43 0.38 -0.10 0.14 -1.08 0.00 0.00 175.30 175.07 2kfp s VAL 59 N -1.58 1.28 -0.05 4.99 -7.23 -0.70 -4.90 120.40 112.21 2kfp s VAL 59 Ca 0.43 -2.09 -0.20 0.00 -1.81 0.00 0.00 61.98 58.31 2kfp s VAL 59 Cb -0.15 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 2kfp s VAL 59 CO 0.20 -0.69 0.56 -1.81 -0.31 0.00 0.00 175.10 173.05 2kfp s ASP 60 N -3.21 6.87 0.07 4.85 1.01 -1.26 -2.55 116.67 122.45 2kfp s ASP 60 Ca 0.19 1.04 0.02 0.00 0.71 0.00 0.00 52.55 54.50 2kfp s ASP 60 Cb 0.02 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 2kfp s ASP 60 CO 0.02 0.05 -0.07 0.68 0.21 0.00 0.00 175.17 176.07 2kfp s VAL 61 N 0.17 0.58 0.03 -1.27 -7.23 -1.10 -2.01 120.40 109.56 2kfp s VAL 61 Ca 0.30 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 2kfp s VAL 61 Cb -0.17 -1.24 -0.02 0.00 0.56 0.00 0.00 36.38 35.51 2kfp s VAL 61 CO 0.15 -0.70 -0.07 0.27 -0.31 0.00 0.00 175.10 174.44 2kfp s ILE 62 N -2.79 0.49 0.27 -0.62 -4.36 -1.11 -2.73 121.20 110.35 2kfp s ILE 62 Ca 0.03 -0.80 -0.25 0.00 -0.26 0.00 0.00 60.65 59.36 2kfp s ILE 62 Cb -0.00 -0.52 -0.09 0.00 1.25 0.00 0.00 42.46 43.10 2kfp s ILE 62 CO -0.03 -0.23 0.87 -1.81 0.24 0.00 0.00 174.94 173.98 2kfp s ASP 63 N -1.12 7.32 -0.06 4.36 1.11 -1.03 -2.00 116.67 125.25 2kfp s ASP 63 Ca -0.06 1.73 0.00 0.00 0.18 0.00 0.00 52.55 54.40 2kfp s ASP 63 Cb -0.07 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.40 2kfp s ASP 63 CO 0.00 0.02 -0.05 -0.22 1.18 0.00 0.00 175.17 176.10 2kfp s LEU 64 N -1.82 1.17 -0.00 1.23 1.98 -0.16 -4.55 118.68 116.53 2kfp s LEU 64 Ca 0.46 -0.16 -0.27 0.00 -2.89 0.00 0.00 54.13 51.26 2kfp s LEU 64 Cb -0.20 -0.55 -0.04 0.00 0.66 0.00 0.00 46.19 46.06 2kfp s LEU 64 CO 0.24 -0.09 0.85 -0.75 -1.89 0.00 0.00 176.35 174.72 2kfp s LYS 65 N 1.25 4.52 0.10 1.98 2.20 -1.26 -0.59 119.74 127.94 2kfp s LYS 65 Ca -0.05 1.19 -0.05 0.00 -0.36 0.00 0.00 55.97 56.69 2kfp s LYS 65 Cb -0.14 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 2kfp s LYS 65 CO -0.02 0.07 0.12 0.14 -0.36 0.00 0.00 175.35 175.30 2kfp s VAL 66 N 0.65 0.15 0.36 4.02 -7.23 -1.04 -4.81 120.40 112.49 2kfp s VAL 66 Ca 0.44 -1.53 -0.11 0.00 -1.81 0.00 0.00 61.98 58.98 2kfp s VAL 66 Cb -0.20 -1.60 -0.07 0.00 0.56 0.00 0.00 36.38 35.07 2kfp s VAL 66 CO 0.24 -0.66 0.72 -1.10 -0.31 0.00 0.00 175.10 173.99 2kfp s GLN 67 N -3.93 3.82 0.59 4.82 -0.21 -1.26 -4.63 119.66 118.86 2kfp s GLN 67 Ca 0.11 0.45 0.30 0.00 0.02 0.00 0.00 55.36 56.24 2kfp s GLN 67 Cb 0.06 -2.45 1.32 0.00 1.00 0.00 0.00 33.01 32.94 2kfp s GLN 67 CO -0.07 0.07 1.68 -1.35 -2.12 0.00 0.00 175.29 173.51 2kfp h PRO 68 N 1.66 0.00 0.00 2.91 0.11 -1.95 0.60 132.00 135.33 2kfp h PRO 68 Ca -0.47 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.34 2kfp h PRO 68 Cb 1.18 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 2kfp h PRO 68 CO 0.65 0.00 -1.98 -0.85 -0.21 0.00 0.00 178.00 175.61 2kfp n GLU 69 N -3.61 0.66 0.00 1.05 0.28 -1.26 -4.07 120.64 113.69 2kfp n GLU 69 Ca 0.16 0.14 0.13 0.00 -0.16 0.00 0.00 57.16 57.43 2kfp n GLU 69 Cb 1.06 -1.67 0.47 0.00 1.43 0.00 0.00 31.44 32.73 2kfp n GLU 69 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kfp n LEU 70 N -2.87 0.58 -0.17 -1.84 4.77 0.17 -3.80 117.00 113.83 2kfp n LEU 70 Ca -0.23 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.64 2kfp n LEU 70 Cb 1.06 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.96 2kfp n LEU 70 CO 0.44 0.11 0.74 1.62 -1.33 0.00 0.00 177.39 178.97 2kfp h VAL 71 N 0.56 1.27 -0.27 4.08 3.04 -0.46 -2.81 116.25 121.65 2kfp h VAL 71 Ca 0.00 -1.28 -0.00 0.00 -1.01 0.00 0.00 66.70 64.40 2kfp h VAL 71 Cb 0.44 1.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2kfp h VAL 71 CO 0.00 0.45 0.16 1.23 -1.01 0.00 0.00 177.57 178.40 2kfp h GLY 72 N 0.93 0.40 0.97 3.17 0.00 -1.80 1.03 103.07 107.77 2kfp h GLY 72 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2kfp h GLY 72 CO 0.05 0.17 0.50 1.76 0.00 0.00 0.00 176.54 179.02 2kfp h SER 73 N 0.33 0.85 1.20 0.19 0.02 -1.74 0.58 113.55 114.99 2kfp h SER 73 Ca 0.10 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2kfp h SER 73 Cb 0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2kfp h SER 73 CO -0.02 0.61 -0.84 0.25 -1.14 0.00 0.00 176.83 175.69 2kfp h LEU 74 N 1.01 0.00 0.21 5.07 6.46 -1.26 -3.30 115.31 123.50 2kfp h LEU 74 Ca 0.29 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.72 2kfp h LEU 74 Cb -0.08 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 39.87 2kfp h LEU 74 CO -0.08 0.44 -1.55 -0.09 -0.62 0.00 0.00 178.44 176.54 2kfp h ARG 75 N 0.00 0.45 0.00 1.25 2.43 0.15 -3.19 114.38 115.47 2kfp h ARG 75 Ca -0.06 -0.77 0.00 0.00 -0.81 0.00 0.00 59.98 58.34 2kfp h ARG 75 Cb 1.38 0.29 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 2kfp h ARG 75 CO 0.05 1.37 0.00 0.36 -1.51 0.00 0.00 179.97 180.23 2kfp n LYS 76 N -3.71 0.45 -3.00 0.20 -0.00 0.20 -4.58 118.16 107.73 2kfp n LYS 76 Ca -0.21 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.69 2kfp n LYS 76 Cb 1.06 -1.44 -0.05 0.00 -0.00 0.00 0.00 35.03 34.60 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 -2.00 3.85 0.45 -1.58 -0.14 -1.21 -5.02 119.74 114.09 2kfp s LYS 77 Ca 0.19 0.39 -0.23 0.00 -1.36 0.00 0.00 55.97 54.96 2kfp s LYS 77 Cb 0.09 -3.76 -0.10 0.00 -1.68 0.00 0.00 37.83 32.37 2kfp s LYS 77 CO 0.15 -0.72 0.94 -2.30 -0.76 0.00 0.00 175.35 172.65 2kfp n PRO 78 N 6.20 1.18 0.00 -1.68 -0.02 -1.26 -2.36 135.00 137.06 2kfp n PRO 78 Ca 0.02 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2kfp n PRO 78 Cb 0.48 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2kfp n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kfp n GLY 79 N 1.28 3.33 3.60 -1.23 0.00 -1.26 -4.62 105.19 106.28 2kfp n GLY 79 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.44 4.87 0.11 -0.61 1.01 -0.99 -2.64 121.20 120.50 2kfp s ILE 80 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.70 2kfp s ILE 80 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2kfp s ILE 80 CO 0.00 0.39 0.09 -0.31 0.00 0.00 0.00 174.94 175.10 2kfp s TYR 81 N 0.93 3.15 0.50 3.97 2.02 -0.46 -4.84 117.35 122.62 2kfp s TYR 81 Ca 0.05 0.03 -0.22 0.00 -0.37 0.00 0.00 57.07 56.56 2kfp s TYR 81 Cb -0.14 -1.57 -0.06 0.00 -0.40 0.00 0.00 41.96 39.79 2kfp s TYR 81 CO 0.03 0.52 1.24 -1.25 -1.57 0.00 0.00 175.55 174.51 2kfp s PRO 82 N -2.62 3.49 0.65 -1.71 0.04 -1.26 -1.74 135.00 131.84 2kfp s PRO 82 Ca 0.29 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 63.11 2kfp s PRO 82 Cb -0.11 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 2kfp s PRO 82 CO 0.22 -0.82 1.15 0.00 0.04 0.00 0.00 177.00 177.59 2kfp s ALA 83 N -1.46 2.42 0.22 8.56 0.00 -1.26 -4.44 121.76 125.80 2kfp s ALA 83 Ca 0.67 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2kfp s ALA 83 Cb -0.33 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2kfp s ALA 83 CO 0.39 -1.34 0.00 0.66 0.00 0.00 0.00 175.76 175.47 2kfp n TYR 84 N -2.20 0.00 0.00 0.00 4.01 -1.26 -4.12 117.16 113.59 2kfp n TYR 84 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2kfp n TYR 84 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 2kfp n TYR 84 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2kfp n HIS 85 N 0.00 0.00 -1.05 -0.72 8.25 -1.26 -2.85 115.22 117.58 2kfp n HIS 85 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kfp n HIS 85 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2kfp n HIS 85 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2kfp n MET 86 N 4.96 0.00 0.00 -0.41 2.81 -1.26 -4.97 117.12 118.25 2kfp n MET 86 Ca 0.00 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2kfp n MET 86 Cb 0.00 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 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 0.00 0.00 0.00 7.83 3.02 -1.13 -4.62 115.26 120.35 2kfp n ASN 87 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2kfp n ASN 87 Cb 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 -0.21 0.00 -0.18 3.52 4.81 -1.14 -2.73 118.16 122.24 2kfp n LYS 88 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2kfp n LYS 88 Cb 0.00 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.14 2kfp n LYS 88 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kfp h GLU 89 N 0.00 0.98 0.11 1.64 5.08 -1.94 -3.30 114.58 117.14 2kfp h GLU 89 Ca 0.00 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2kfp h GLU 89 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2kfp h GLU 89 CO 0.00 0.93 -0.05 0.45 -1.00 0.00 0.00 179.01 179.34 2kfp h HIS 90 N 0.91 -0.14 -2.37 4.33 3.86 -1.77 -3.40 115.15 116.57 2kfp h HIS 90 Ca 0.17 -0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.78 2kfp h HIS 90 Cb 0.47 0.05 -0.15 0.00 1.06 0.00 0.00 27.41 28.84 2kfp h HIS 90 CO 0.03 -0.09 -0.76 -1.58 0.86 0.00 0.00 177.93 176.39 2kfp s TRP 91 N -2.52 2.24 0.06 2.45 0.52 -1.24 -2.51 118.94 117.94 2kfp s TRP 91 Ca -0.02 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 55.80 2kfp s TRP 91 Cb 0.00 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.31 2kfp s TRP 91 CO 0.06 0.67 -0.15 0.42 0.02 0.00 0.00 176.95 177.97 2kfp s ILE 92 N -2.46 1.19 -0.03 2.03 -1.09 0.24 -2.87 121.20 118.20 2kfp s ILE 92 Ca 0.28 -1.17 -0.19 0.00 -2.23 0.00 0.00 60.65 57.34 2kfp s ILE 92 Cb -0.05 -1.10 -0.05 0.00 -1.58 0.00 0.00 42.46 39.68 2kfp s ILE 92 CO 0.14 -0.08 0.52 0.42 -1.23 0.00 0.00 174.94 174.71 2kfp s THR 93 N -1.04 5.01 -0.12 2.92 -4.23 -0.71 -0.99 115.64 116.47 2kfp s THR 93 Ca 0.01 1.08 0.01 0.00 -1.18 0.00 0.00 61.69 61.61 2kfp s THR 93 Cb -0.09 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 69.88 2kfp s THR 93 CO 0.02 0.43 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.68 2kfp s VAL 94 N -0.15 2.82 -0.57 2.29 1.01 -0.84 -1.35 120.40 123.61 2kfp s VAL 94 Ca 0.28 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 2kfp s VAL 94 Cb -0.17 -2.16 0.05 0.00 0.00 0.00 0.00 36.38 34.09 2kfp s VAL 94 CO 0.14 0.53 0.94 -0.22 0.00 0.00 0.00 175.10 176.49 2kfp s LEU 95 N 0.36 4.16 0.22 3.92 2.96 -1.08 -2.74 118.68 126.48 2kfp s LEU 95 Ca -0.13 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.26 2kfp s LEU 95 Cb -0.16 -2.75 0.20 0.00 0.50 0.00 0.00 46.19 43.98 2kfp s LEU 95 CO 0.06 -1.26 1.70 -0.07 -1.32 0.00 0.00 176.35 175.47 2kfp h LEU 96 N 11.01 0.90 0.00 -0.68 3.38 -1.72 -1.23 115.31 126.97 2kfp h LEU 96 Ca -0.27 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2kfp h LEU 96 Cb 1.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2kfp h LEU 96 CO 1.10 0.96 0.00 -3.20 0.09 0.00 0.00 178.44 177.39 2kfp n ASN 97 N -4.19 0.00 -3.09 -0.43 2.85 -1.26 -3.93 115.26 105.21 2kfp n ASN 97 Ca 0.03 -0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.33 2kfp n ASN 97 Cb 0.33 -0.29 0.14 0.00 1.24 0.00 0.00 39.78 41.20 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 0.57 -2.87 0.00 8.20 0.00 -0.47 -5.01 105.19 105.62 2kfp n GLY 98 Ca 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.50 0.00 0.00 1.61 -0.04 -1.26 -4.80 135.00 127.01 2kfp n PRO 99 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2kfp n PRO 99 Cb 0.33 -0.65 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 2kfp n PRO 99 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2kfp n LEU 100 N -0.44 0.00 0.00 1.53 -0.00 -1.26 -4.85 117.00 111.97 2kfp n LEU 100 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2kfp n LEU 100 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2kfp n LEU 100 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2kfp n GLY 101 N 0.00 1.18 0.29 1.47 0.00 -1.26 -4.95 105.19 101.92 2kfp n GLY 101 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 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 0.82 -0.38 4.61 0.00 -1.96 -2.57 119.26 119.77 2kfp h ALA 102 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2kfp h ALA 102 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2kfp h ALA 102 CO 0.00 0.66 -0.03 1.57 0.00 0.00 0.00 179.25 181.44 2kfp h LYS 103 N 0.84 0.63 -0.52 0.00 2.10 -2.00 -2.24 116.57 115.38 2kfp h LYS 103 Ca 0.13 -0.16 -0.11 0.00 -2.00 0.00 0.00 60.65 58.51 2kfp h LYS 103 Cb 0.68 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 2kfp h LYS 103 CO 0.05 0.67 -0.09 1.49 -2.00 0.00 0.00 179.45 179.57 2kfp h GLU 104 N 0.59 0.98 -0.52 0.07 4.57 -1.86 -2.66 114.58 115.75 2kfp h GLU 104 Ca 0.12 -0.36 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 2kfp h GLU 104 Cb 0.42 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2kfp h GLU 104 CO 0.02 1.03 0.18 0.82 -1.18 0.00 0.00 179.01 179.88 2kfp h ILE 105 N 0.85 1.23 -0.59 2.32 2.04 -1.13 -2.26 117.51 119.95 2kfp h ILE 105 Ca 0.14 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.32 2kfp h ILE 105 Cb 0.65 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 2kfp h ILE 105 CO 0.04 0.27 0.31 0.45 0.00 0.00 0.00 178.15 179.23 2kfp h HIS 106 N 0.70 0.56 -0.66 1.37 3.86 -1.25 0.81 115.15 120.55 2kfp h HIS 106 Ca 0.17 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 2kfp h HIS 106 Cb 0.24 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 2kfp h HIS 106 CO 0.01 0.26 0.32 0.77 0.86 0.00 0.00 177.93 180.16 2kfp h SER 107 N 0.58 0.85 -0.65 2.45 0.02 -1.23 -0.30 113.55 115.27 2kfp h SER 107 Ca 0.27 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2kfp h SER 107 Cb 0.18 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2kfp h SER 107 CO -0.18 0.74 0.16 -0.07 -1.14 0.00 0.00 176.83 176.34 2kfp h LEU 108 N 0.90 0.98 -0.59 5.07 3.38 -0.75 -2.62 115.31 121.67 2kfp h LEU 108 Ca 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2kfp h LEU 108 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2kfp h LEU 108 CO -0.03 0.96 0.24 0.40 0.09 0.00 0.00 178.44 180.10 2kfp h ILE 109 N 0.96 1.23 -0.55 1.22 2.04 -0.45 -1.81 117.51 120.14 2kfp h ILE 109 Ca 0.20 -0.69 0.09 0.00 1.00 0.00 0.00 64.86 65.46 2kfp h ILE 109 Cb 0.35 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 2kfp h ILE 109 CO 0.00 0.27 0.17 -0.08 0.00 0.00 0.00 178.15 178.51 2kfp h GLU 110 N 0.82 0.32 -0.62 2.37 4.81 -0.71 0.15 114.58 121.71 2kfp h GLU 110 Ca 0.20 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2kfp h GLU 110 Cb 0.19 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2kfp h GLU 110 CO -0.02 0.21 0.13 0.22 -0.73 0.00 0.00 179.01 178.82 2kfp h ASP 111 N 0.33 0.93 -0.50 1.04 1.82 -1.17 -2.21 116.42 116.66 2kfp h ASP 111 Ca 0.28 -0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 2kfp h ASP 111 Cb 0.35 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 2kfp h ASP 111 CO -0.31 0.92 0.23 0.77 -1.61 0.00 0.00 179.24 179.23 2kfp h SER 112 N 0.94 0.70 -0.49 2.28 4.64 -0.14 -2.40 113.55 119.08 2kfp h SER 112 Ca 0.20 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2kfp h SER 112 Cb 0.36 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2kfp h SER 112 CO 0.00 0.62 0.26 0.15 -0.87 0.00 0.00 176.83 177.00 2kfp h PHE 113 N 0.77 0.67 -0.83 4.77 3.57 -0.18 -1.11 116.94 124.60 2kfp h PHE 113 Ca 0.19 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.69 2kfp h PHE 113 Cb 0.13 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 2kfp h PHE 113 CO 0.01 0.51 0.54 1.96 -2.23 0.00 0.00 178.31 179.10 2kfp h GLN 114 N 0.64 1.04 -0.52 1.11 4.20 -1.18 0.37 115.11 120.78 2kfp h GLN 114 Ca 0.17 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 2kfp h GLN 114 Cb 0.06 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 2kfp h GLN 114 CO -0.03 0.69 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.68 2kfp h LEU 115 N 1.07 0.92 -1.09 1.46 3.38 -1.16 -2.32 115.31 117.57 2kfp h LEU 115 Ca 0.32 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kfp h LEU 115 Cb -0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2kfp h LEU 115 CO -0.10 1.02 0.00 0.35 0.09 0.00 0.00 178.44 179.81 2kfp n THR 116 N -4.16 0.27 -0.72 0.22 -2.24 -0.45 -4.45 114.28 102.74 2kfp n THR 116 Ca 0.02 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 2kfp n THR 116 Cb 0.37 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.32 1.56 0.00 -0.78 0.63 0.12 -4.92 116.66 113.59 2kfp n ARG 117 Ca 0.15 -0.84 0.00 0.00 -0.92 0.00 0.00 57.85 56.24 2kfp n ARG 117 Cb 0.31 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.27 2kfp n ARG 117 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2kfp n LEU 118 N 2.85 0.00 0.00 6.15 4.32 -1.26 -4.80 117.00 124.26 2kfp n LEU 118 Ca 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.32 2kfp n LEU 118 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2kfp n LEU 118 CO 0.25 -0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 175.80 2kfp n GLU 119 N -0.00 0.00 -3.04 3.23 -0.58 -1.26 -5.01 120.64 113.99 2kfp n GLU 119 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 2kfp n GLU 119 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 2kfp n GLU 119 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2kfp n HIS 120 N 0.00 -0.81 -2.58 -0.32 1.44 -1.26 -5.11 115.22 106.56 2kfp n HIS 120 Ca 0.00 -3.26 -0.30 0.00 -2.01 0.00 0.00 57.72 52.15 2kfp n HIS 120 Cb 0.00 0.25 -0.02 0.00 0.12 0.00 0.00 29.99 30.35 2kfp n HIS 120 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kfp s HIS 121 N -1.55 3.52 -0.14 -1.40 3.76 -1.26 -3.67 115.29 114.55 2kfp s HIS 121 Ca 0.34 1.07 0.00 0.00 -0.15 0.00 0.00 55.06 56.32 2kfp s HIS 121 Cb 0.33 -2.49 0.00 0.00 1.11 0.00 0.00 32.58 31.53 2kfp s HIS 121 CO -0.07 -0.28 0.00 1.58 -0.85 0.00 0.00 174.74 175.12 2kfp n HIS 122 N -1.82 -0.02 -1.50 1.40 -0.00 -1.26 -4.80 115.22 107.22 2kfp n HIS 122 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.35 2kfp n HIS 122 Cb 0.54 -1.80 -0.02 0.00 -0.00 0.00 0.00 29.99 28.71 2kfp n HIS 122 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kfp n HIS 123 N -1.64 2.67 -0.18 1.57 -0.00 -1.24 -4.60 115.22 111.80 2kfp n HIS 123 Ca -0.01 -3.04 -0.10 0.00 -0.00 0.00 0.00 57.72 54.57 2kfp n HIS 123 Cb 0.41 -2.42 0.02 0.00 -0.00 0.00 0.00 29.99 28.00 2kfp n HIS 123 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kfp h HIS 124 N 5.17 1.16 -0.01 1.57 3.86 -1.91 -3.52 115.15 121.47 2kfp h HIS 124 Ca 0.78 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 2kfp h HIS 124 Cb 0.36 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2kfp h HIS 124 CO 1.75 1.07 0.00 0.72 0.86 0.00 0.00 177.93 182.34