#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 6.30 0.16 6.12 0.01 -1.26 -4.63 114.94 121.63 2kfp s ASN 2 Ca 0.00 0.95 -0.13 0.00 -0.71 0.00 0.00 52.86 52.97 2kfp s ASN 2 Cb 0.00 -2.26 0.04 0.00 0.41 0.00 0.00 41.25 39.44 2kfp s ASN 2 CO 0.00 -0.55 1.67 -0.09 -1.51 0.00 0.00 177.10 176.62 2kfp h ARG 3 N 0.37 0.83 -0.70 -0.60 2.43 -1.99 -1.85 114.38 112.86 2kfp h ARG 3 Ca -0.47 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 58.53 2kfp h ARG 3 Cb 1.20 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 2kfp h ARG 3 CO 0.62 0.77 0.45 0.37 -1.51 0.00 0.00 179.97 180.67 2kfp h GLN 4 N 0.73 0.87 -0.14 0.20 5.75 -2.01 -1.29 115.11 119.23 2kfp h GLN 4 Ca 0.17 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 2kfp h GLN 4 Cb 0.30 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2kfp h GLN 4 CO -0.00 0.57 -0.28 1.96 -2.65 0.00 0.00 178.83 178.43 2kfp h GLN 5 N 0.89 0.25 -0.22 1.69 4.20 -1.90 -2.36 115.11 117.66 2kfp h GLN 5 Ca 0.27 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 2kfp h GLN 5 Cb -0.04 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2kfp h GLN 5 CO -0.08 0.52 0.13 0.35 -0.67 0.00 0.00 178.83 179.08 2kfp h PHE 6 N 0.22 0.29 -0.22 2.96 3.57 -0.39 0.49 116.94 123.86 2kfp h PHE 6 Ca 0.03 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2kfp h PHE 6 Cb 0.62 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2kfp h PHE 6 CO 0.01 0.23 0.04 0.82 -2.23 0.00 0.00 178.31 177.18 2kfp h ILE 7 N 0.27 1.22 -0.57 1.41 5.03 -1.29 -0.30 117.51 123.29 2kfp h ILE 7 Ca 0.08 -0.73 -0.03 0.00 -0.12 0.00 0.00 64.86 64.07 2kfp h ILE 7 Cb 0.02 1.27 -0.03 0.00 -3.03 0.00 0.00 36.82 35.06 2kfp h ILE 7 CO -0.01 0.23 0.25 0.44 -0.68 0.00 0.00 178.15 178.38 2kfp h ASP 8 N 0.18 0.76 -0.44 1.72 3.32 -1.22 -2.12 116.42 118.62 2kfp h ASP 8 Ca 0.07 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2kfp h ASP 8 Cb 0.30 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2kfp h ASP 8 CO 0.00 0.70 0.13 0.22 -1.72 0.00 0.00 179.24 178.57 2kfp h TYR 9 N 0.77 0.71 0.09 4.55 3.20 0.10 0.94 116.97 127.33 2kfp h TYR 9 Ca 0.19 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2kfp h TYR 9 Cb 0.15 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2kfp h TYR 9 CO 0.00 0.65 -0.09 0.00 -1.64 0.00 0.00 178.16 177.08 2kfp h ALA 10 N 0.98 -0.17 -0.30 1.82 0.00 -0.80 -0.89 119.26 119.91 2kfp h ALA 10 Ca 0.14 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2kfp h ALA 10 Cb 0.27 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kfp h ALA 10 CO -0.00 -0.61 -0.44 -0.56 0.00 0.00 0.00 179.25 177.64 2kfp h GLN 11 N -0.19 0.76 -0.66 0.00 3.07 -1.34 0.60 115.11 117.35 2kfp h GLN 11 Ca 0.01 -0.42 0.01 0.00 0.09 0.00 0.00 58.65 58.33 2kfp h GLN 11 Cb 0.19 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.74 2kfp h GLN 11 CO -0.03 1.05 0.44 -0.22 0.09 0.00 0.00 178.83 180.16 2kfp h LYS 12 N 0.62 0.87 0.03 0.06 3.64 -0.60 2.50 116.57 123.69 2kfp h LYS 12 Ca 0.04 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 2kfp h LYS 12 Cb 1.00 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2kfp h LYS 12 CO 0.10 0.58 -1.64 -0.22 -2.27 0.00 0.00 179.45 175.99 2kfp h LYS 13 N 0.90 0.07 0.00 1.90 3.64 -1.09 -3.40 116.57 118.58 2kfp h LYS 13 Ca 0.24 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2kfp h LYS 13 Cb -0.10 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2kfp h LYS 13 CO -0.05 0.73 0.00 0.66 -2.27 0.00 0.00 179.45 178.52 2kfp n TYR 14 N -3.19 0.00 -3.48 1.91 4.01 0.21 -5.01 117.16 111.60 2kfp n TYR 14 Ca -0.17 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.32 2kfp n TYR 14 Cb 1.04 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 40.09 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 -0.80 -5.12 -4.87 7.72 8.00 0.84 -4.89 116.55 117.43 2kfp n ASP 15 Ca 0.00 -0.51 -0.31 0.00 0.71 0.00 0.00 54.79 54.68 2kfp n ASP 15 Cb 0.00 -4.12 0.03 0.00 -0.02 0.00 0.00 41.12 37.01 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 -3.17 4.08 -0.44 -3.53 2.01 -1.26 -4.92 115.64 108.41 2kfp s THR 16 Ca 0.49 0.68 0.03 0.00 0.31 0.00 0.00 61.69 63.20 2kfp s THR 16 Cb -0.24 -3.65 0.12 0.00 0.01 0.00 0.00 72.50 68.74 2kfp s THR 16 CO 0.60 -0.88 0.19 -0.75 -0.69 0.00 0.00 174.62 173.09 2kfp s LYS 17 N -5.26 1.61 0.53 4.92 2.47 -1.26 -4.54 119.74 118.22 2kfp s LYS 17 Ca 0.57 -2.20 -0.21 0.00 -1.56 0.00 0.00 55.97 52.57 2kfp s LYS 17 Cb -0.11 -2.98 -0.06 0.00 -1.46 0.00 0.00 37.83 33.21 2kfp s LYS 17 CO 0.53 -1.07 1.15 -2.30 0.16 0.00 0.00 175.35 173.82 2kfp n PRO 18 N 3.60 1.38 -4.16 4.03 -0.02 -1.26 -4.83 135.00 133.75 2kfp n PRO 18 Ca 0.05 0.51 -0.16 0.00 -2.02 0.00 0.00 63.50 61.88 2kfp n PRO 18 Cb 0.36 -2.31 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 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 -0.95 1.51 -0.61 2.55 -1.08 -1.06 -4.94 116.67 112.09 2kfp s ASP 19 Ca 0.70 -0.69 0.03 0.00 -0.52 0.00 0.00 52.55 52.08 2kfp s ASP 19 Cb -0.45 -0.02 0.15 0.00 -1.46 0.00 0.00 42.92 41.14 2kfp s ASP 19 CO 0.51 -0.17 0.38 -1.00 0.52 0.00 0.00 175.17 175.41 2kfp s HIS 20 N -1.77 3.37 0.36 -5.34 3.76 -1.26 -1.98 115.29 112.43 2kfp s HIS 20 Ca 0.00 -3.19 0.10 0.00 -0.15 0.00 0.00 55.06 51.82 2kfp s HIS 20 Cb -0.07 -2.83 0.86 0.00 1.11 0.00 0.00 32.58 31.64 2kfp s HIS 20 CO 0.01 -0.68 1.87 -1.35 -0.85 0.00 0.00 174.74 173.74 2kfp h PRO 21 N 6.14 0.63 -5.88 8.40 0.11 -1.95 -3.39 132.00 136.06 2kfp h PRO 21 Ca 0.01 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.51 2kfp h PRO 21 Cb 0.85 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 31.74 2kfp h PRO 21 CO 0.71 0.41 0.13 -1.58 -0.21 0.00 0.00 178.00 177.46 2kfp s TRP 22 N -5.64 3.49 -0.03 0.65 0.51 -1.26 -4.94 118.94 111.71 2kfp s TRP 22 Ca -0.10 1.13 0.12 0.00 -2.12 0.00 0.00 56.10 55.13 2kfp s TRP 22 Cb 0.22 -2.82 -0.19 0.00 -0.81 0.00 0.00 33.47 29.87 2kfp s TRP 22 CO 0.79 -0.04 0.87 1.05 -0.51 0.00 0.00 176.95 179.11 2kfp h GLU 23 N 7.06 0.00 -0.00 4.98 4.11 -2.00 -3.31 114.58 125.42 2kfp h GLU 23 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 2kfp h GLU 23 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kfp h GLU 23 CO 0.77 0.55 -0.07 1.63 0.07 0.00 0.00 179.01 181.97 2kfp n LYS 24 N -3.09 0.27 -3.61 1.06 5.02 -1.26 -4.25 118.16 112.31 2kfp n LYS 24 Ca -0.11 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 55.87 2kfp n LYS 24 Cb 0.97 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.38 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 -1.32 2.72 0.32 2.13 3.01 -1.24 -4.91 117.46 118.17 2kfp n PHE 25 Ca 0.11 -4.10 0.15 0.00 1.01 0.00 0.00 57.45 54.62 2kfp n PHE 25 Cb 0.29 -0.49 0.65 0.00 -0.01 0.00 0.00 39.48 39.92 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 4.82 0.00 -0.00 -1.08 0.13 -1.78 -2.23 132.00 131.87 2kfp h PRO 26 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2kfp h PRO 26 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2kfp h PRO 26 CO 0.71 0.00 -0.02 -0.25 -0.23 0.00 0.00 178.00 178.21 2kfp n ASP 27 N -2.72 0.06 -4.80 1.44 8.00 -1.26 -4.75 116.55 112.53 2kfp n ASP 27 Ca 0.01 -0.28 -0.36 0.00 0.71 0.00 0.00 54.79 54.86 2kfp n ASP 27 Cb 0.25 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.50 3.49 0.02 1.24 1.51 -0.84 -4.33 117.35 115.94 2kfp s TYR 28 Ca 0.30 0.41 0.01 0.00 -1.01 0.00 0.00 57.07 56.78 2kfp s TYR 28 Cb 0.20 -2.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 2kfp s TYR 28 CO 0.46 0.50 -0.05 0.00 -1.11 0.00 0.00 175.55 175.35 2kfp s ALA 29 N -0.34 0.32 -0.10 3.71 0.00 -0.84 -4.70 121.76 119.81 2kfp s ALA 29 Ca 0.11 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.57 2kfp s ALA 29 Cb -0.12 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2kfp s ALA 29 CO 0.01 -0.05 -0.22 0.08 0.00 0.00 0.00 175.76 175.58 2kfp s VAL 30 N -1.08 1.94 -0.35 0.00 1.01 -0.84 -1.47 120.40 119.61 2kfp s VAL 30 Ca -0.09 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 2kfp s VAL 30 Cb -0.08 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.65 2kfp s VAL 30 CO -0.00 0.53 0.13 -0.36 0.00 0.00 0.00 175.10 175.40 2kfp s PHE 31 N 0.43 3.25 -0.00 5.22 0.40 0.12 -2.57 117.98 124.84 2kfp s PHE 31 Ca -0.17 -1.33 -0.03 0.00 -0.60 0.00 0.00 56.93 54.80 2kfp s PHE 31 Cb -0.17 -2.32 -0.00 0.00 0.51 0.00 0.00 43.02 41.03 2kfp s PHE 31 CO 0.07 -0.71 0.06 0.50 0.70 0.00 0.00 175.22 175.84 2kfp s ARG 32 N 1.43 0.28 -0.36 0.44 3.52 -1.26 -2.28 118.95 120.72 2kfp s ARG 32 Ca -0.01 -0.27 -0.14 0.00 -0.13 0.00 0.00 55.73 55.18 2kfp s ARG 32 Cb -0.19 0.11 -0.00 0.00 -1.56 0.00 0.00 34.95 33.30 2kfp s ARG 32 CO 0.04 -0.05 0.27 -1.01 -0.81 0.00 0.00 175.30 173.73 2kfp s HIS 33 N -0.86 3.23 -0.11 5.12 3.76 -1.22 -4.73 115.29 120.48 2kfp s HIS 33 Ca -0.09 -0.33 0.30 0.00 -0.15 0.00 0.00 55.06 54.79 2kfp s HIS 33 Cb -0.06 -2.53 1.25 0.00 1.11 0.00 0.00 32.58 32.35 2kfp s HIS 33 CO 0.00 -0.44 1.89 0.66 -0.85 0.00 0.00 174.74 176.00 2kfp h SER 34 N 8.54 0.00 -0.49 1.40 4.64 -1.93 0.40 113.55 126.11 2kfp h SER 34 Ca -0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 2kfp h SER 34 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2kfp h SER 34 CO 0.67 0.00 0.22 -0.78 -0.87 0.00 0.00 176.83 176.07 2kfp h ASP 35 N 0.00 0.66 -0.01 4.97 1.82 -1.96 -3.18 116.42 118.72 2kfp h ASP 35 Ca 0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2kfp h ASP 35 Cb 0.44 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2kfp h ASP 35 CO 0.00 0.62 -0.06 -0.46 -1.61 0.00 0.00 179.24 177.73 2kfp n ASN 36 N -4.59 1.56 0.00 2.28 0.23 -1.14 -4.95 115.26 108.64 2kfp n ASN 36 Ca 0.02 -1.28 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 2kfp n ASN 36 Cb 0.13 0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 2kfp n ASN 36 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2kfp n ASP 37 N 0.26 -0.52 0.00 0.53 2.03 0.14 -4.88 116.55 114.11 2kfp n ASP 37 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2kfp n ASP 37 Cb 0.21 -2.39 0.00 0.00 -0.72 0.00 0.00 41.12 38.22 2kfp n ASP 37 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kfp n LYS 38 N -1.51 3.35 -2.73 -0.67 5.02 -1.24 -4.88 118.16 115.51 2kfp n LYS 38 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2kfp n LYS 38 Cb 0.04 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.03 2kfp n LYS 38 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2kfp n TRP 39 N 0.00 -3.70 -4.31 2.13 -0.00 -1.26 -3.38 117.44 106.93 2kfp n TRP 39 Ca 0.00 1.91 -0.34 0.00 -0.00 0.00 0.00 57.50 59.07 2kfp n TRP 39 Cb 0.00 -3.58 -0.14 0.00 -0.00 0.00 0.00 31.31 27.59 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 -1.06 2.91 -0.10 5.87 2.02 -1.26 -3.93 117.35 121.79 2kfp s TYR 40 Ca -0.13 -0.76 -0.16 0.00 -0.37 0.00 0.00 57.07 55.66 2kfp s TYR 40 Cb 0.01 -1.98 0.04 0.00 -0.40 0.00 0.00 41.96 39.63 2kfp s TYR 40 CO 0.69 -0.35 0.40 0.00 -1.57 0.00 0.00 175.55 174.71 2kfp s ALA 41 N 0.88 -1.00 -0.01 3.71 0.00 -0.97 -4.29 121.76 120.08 2kfp s ALA 41 Ca -0.02 0.91 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 2kfp s ALA 41 Cb -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.59 2kfp s ALA 41 CO 0.01 -0.23 0.07 -0.48 0.00 0.00 0.00 175.76 175.13 2kfp s LEU 42 N -0.38 1.76 -0.14 0.00 2.34 -1.25 0.15 118.68 121.16 2kfp s LEU 42 Ca -0.05 -0.04 0.02 0.00 0.06 0.00 0.00 54.13 54.12 2kfp s LEU 42 Cb -0.03 0.34 -0.00 0.00 -0.56 0.00 0.00 46.19 45.93 2kfp s LEU 42 CO 0.02 -0.15 -0.18 -0.22 -1.06 0.00 0.00 176.35 174.76 2kfp s LEU 43 N -0.54 2.35 0.07 1.48 0.20 -0.54 -2.22 118.68 119.47 2kfp s LEU 43 Ca -0.06 -0.50 -0.09 0.00 0.69 0.00 0.00 54.13 54.17 2kfp s LEU 43 Cb -0.04 -1.51 -0.00 0.00 -0.43 0.00 0.00 46.19 44.21 2kfp s LEU 43 CO 0.00 0.11 0.18 0.00 -0.29 0.00 0.00 176.35 176.36 2kfp s MET 44 N 0.63 0.78 -0.34 1.98 0.23 -1.07 -1.98 119.30 119.53 2kfp s MET 44 Ca -0.10 -0.85 -0.16 0.00 -1.03 0.00 0.00 55.69 53.55 2kfp s MET 44 Cb -0.16 0.32 -0.01 0.00 -1.53 0.00 0.00 34.83 33.45 2kfp s MET 44 CO 0.03 -0.24 0.42 0.16 -2.03 0.00 0.00 175.02 173.36 2kfp s ASP 45 N -2.58 6.24 0.05 -1.18 -4.77 -1.26 -2.45 116.67 110.72 2kfp s ASP 45 Ca 0.01 -0.10 0.07 0.00 -3.30 0.00 0.00 52.55 49.23 2kfp s ASP 45 Cb 0.03 -2.23 -0.03 0.00 -1.09 0.00 0.00 42.92 39.61 2kfp s ASP 45 CO -0.08 -0.38 -0.19 0.27 0.70 0.00 0.00 175.17 175.49 2kfp s ILE 46 N 2.17 1.51 0.48 2.11 -4.36 -0.91 -4.92 121.20 117.28 2kfp s ILE 46 Ca 0.15 -1.18 -0.24 0.00 -0.26 0.00 0.00 60.65 59.12 2kfp s ILE 46 Cb -0.16 -1.33 -0.07 0.00 1.25 0.00 0.00 42.46 42.15 2kfp s ILE 46 CO 0.12 0.11 1.40 -2.16 0.24 0.00 0.00 174.94 174.66 2kfp s PRO 47 N -1.25 3.50 0.62 0.37 0.04 -1.26 -2.51 135.00 134.50 2kfp s PRO 47 Ca 0.06 2.36 0.39 0.00 0.04 0.00 0.00 61.00 63.84 2kfp s PRO 47 Cb -0.09 -2.52 2.04 0.00 0.04 0.00 0.00 34.50 33.98 2kfp s PRO 47 CO 0.02 -0.94 2.25 0.00 0.04 0.00 0.00 177.00 178.36 2kfp h ALA 48 N 2.03 1.08 -0.67 8.56 0.00 -1.48 -2.53 119.26 126.24 2kfp h ALA 48 Ca -0.51 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.40 2kfp h ALA 48 Cb 1.28 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2kfp h ALA 48 CO 0.60 0.02 0.44 0.93 0.00 0.00 0.00 179.25 181.24 2kfp h GLU 49 N 0.00 0.86 -0.50 0.00 5.08 -1.24 -2.53 114.58 116.25 2kfp h GLU 49 Ca -0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2kfp h GLU 49 Cb 0.15 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2kfp h GLU 49 CO 0.00 0.57 0.17 0.87 -1.00 0.00 0.00 179.01 179.62 2kfp h LYS 50 N 0.89 0.77 -0.30 2.33 1.57 -1.73 -2.08 116.57 118.01 2kfp h LYS 50 Ca 0.25 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2kfp h LYS 50 Cb -0.07 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2kfp h LYS 50 CO -0.06 0.71 0.00 0.44 -0.57 0.00 0.00 179.45 179.97 2kfp n ILE 51 N -4.52 0.00 -0.24 1.86 -5.35 -1.02 -4.74 119.36 105.35 2kfp n ILE 51 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 2kfp n ILE 51 Cb 0.18 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 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 0.15 2.41 3.72 3.28 0.00 -0.78 -5.00 105.19 108.97 2kfp n GLY 52 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.20 4.55 -0.35 -0.61 1.01 -0.98 -4.87 121.20 116.74 2kfp s ILE 53 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 60.65 62.66 2kfp s ILE 53 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 2kfp s ILE 53 CO 0.00 0.26 0.37 -0.46 0.00 0.00 0.00 174.94 175.10 2kfp n ASN 54 N 3.15 1.02 -4.75 3.58 0.23 -1.26 -3.27 115.26 113.96 2kfp n ASN 54 Ca 0.04 -0.89 -0.38 0.00 -0.53 0.00 0.00 54.58 52.82 2kfp n ASN 54 Cb 0.49 -0.22 -0.06 0.00 -2.08 0.00 0.00 39.78 37.91 2kfp n ASN 54 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2kfp s GLY 55 N 0.45 2.43 0.00 4.83 0.00 -1.26 -4.95 107.32 108.83 2kfp s GLY 55 Ca 0.00 -0.18 0.21 0.00 0.00 0.00 0.00 44.72 44.75 2kfp s GLY 55 CO 0.00 0.62 1.47 2.09 0.00 0.00 0.00 173.10 177.28 2kfp n ASP 56 N 3.14 3.71 -4.86 1.64 5.75 -1.26 -1.48 116.55 123.18 2kfp n ASP 56 Ca -0.09 -1.99 -0.31 0.00 -0.01 0.00 0.00 54.79 52.39 2kfp n ASP 56 Cb 0.52 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 2kfp n ASP 56 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kfp s LYS 57 N -1.09 3.83 -0.01 0.11 1.02 -1.26 -4.78 119.74 117.55 2kfp s LYS 57 Ca 0.43 0.64 -0.28 0.00 0.02 0.00 0.00 55.97 56.78 2kfp s LYS 57 Cb 0.23 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 2kfp s LYS 57 CO 0.31 -0.14 0.88 1.03 -0.92 0.00 0.00 175.35 176.51 2kfp s ARG 58 N -3.98 4.52 0.03 1.68 0.52 -1.26 -2.28 118.95 118.18 2kfp s ARG 58 Ca 0.54 1.24 0.06 0.00 -0.52 0.00 0.00 55.73 57.05 2kfp s ARG 58 Cb -0.10 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 31.90 2kfp s ARG 58 CO 0.32 0.01 -0.19 0.14 0.02 0.00 0.00 175.30 175.60 2kfp s VAL 59 N 0.86 1.52 0.10 3.52 -7.23 -1.05 -4.95 120.40 113.17 2kfp s VAL 59 Ca 0.47 -1.05 -0.18 0.00 -1.81 0.00 0.00 61.98 59.41 2kfp s VAL 59 Cb -0.20 -1.31 -0.07 0.00 0.56 0.00 0.00 36.38 35.36 2kfp s VAL 59 CO 0.25 0.23 0.56 -1.81 -0.31 0.00 0.00 175.10 174.02 2kfp s ASP 60 N -0.96 6.98 0.09 4.85 1.01 -1.26 -2.13 116.67 125.26 2kfp s ASP 60 Ca 0.06 1.20 0.02 0.00 0.71 0.00 0.00 52.55 54.55 2kfp s ASP 60 Cb -0.08 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2kfp s ASP 60 CO 0.01 0.22 -0.07 0.68 0.21 0.00 0.00 175.17 176.22 2kfp s VAL 61 N -1.23 0.68 0.06 -1.27 -7.23 -1.03 -1.46 120.40 108.93 2kfp s VAL 61 Ca 0.32 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2kfp s VAL 61 Cb -0.18 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2kfp s VAL 61 CO 0.19 -0.82 -0.10 0.27 -0.31 0.00 0.00 175.10 174.33 2kfp s ILE 62 N -3.39 0.75 -0.05 -0.62 -4.36 -0.88 -2.61 121.20 110.04 2kfp s ILE 62 Ca 0.10 -1.27 0.02 0.00 -0.26 0.00 0.00 60.65 59.24 2kfp s ILE 62 Cb 0.04 -0.90 -0.03 0.00 1.25 0.00 0.00 42.46 42.82 2kfp s ILE 62 CO -0.04 -0.40 -0.10 -1.81 0.24 0.00 0.00 174.94 172.83 2kfp s ASP 63 N -1.83 4.36 0.06 4.36 1.01 -0.94 -0.95 116.67 122.74 2kfp s ASP 63 Ca -0.04 -0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.11 2kfp s ASP 63 Cb -0.08 -1.01 -0.04 0.00 1.01 0.00 0.00 42.92 42.80 2kfp s ASP 63 CO 0.00 0.35 -0.05 -1.48 0.21 0.00 0.00 175.17 174.21 2kfp s LEU 64 N -0.83 2.43 0.01 1.23 0.05 -1.13 -3.78 118.68 116.67 2kfp s LEU 64 Ca 0.12 -0.87 -0.15 0.00 0.05 0.00 0.00 54.13 53.28 2kfp s LEU 64 Cb -0.11 0.06 -0.06 0.00 -2.05 0.00 0.00 46.19 44.04 2kfp s LEU 64 CO 0.01 -0.47 0.43 -0.75 -0.55 0.00 0.00 176.35 175.03 2kfp s LYS 65 N -3.22 3.96 0.13 1.48 2.20 -1.26 -2.23 119.74 120.79 2kfp s LYS 65 Ca 0.03 0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 56.07 2kfp s LYS 65 Cb 0.02 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 2kfp s LYS 65 CO -0.06 0.68 0.09 0.14 -0.36 0.00 0.00 175.35 175.84 2kfp s VAL 66 N -1.07 0.11 0.63 4.02 -7.23 -1.03 -4.36 120.40 111.47 2kfp s VAL 66 Ca 0.24 -1.80 -0.14 0.00 -1.81 0.00 0.00 61.98 58.48 2kfp s VAL 66 Cb -0.17 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 2kfp s VAL 66 CO 0.14 -0.49 1.05 -1.10 -0.31 0.00 0.00 175.10 174.39 2kfp s GLN 67 N -4.02 3.20 0.55 4.82 -0.21 -1.26 -4.70 119.66 118.04 2kfp s GLN 67 Ca 0.21 1.10 0.31 0.00 0.02 0.00 0.00 55.36 57.00 2kfp s GLN 67 Cb 0.07 -2.02 1.63 0.00 1.00 0.00 0.00 33.01 33.68 2kfp s GLN 67 CO 0.00 -0.90 2.12 -1.00 -2.12 0.00 0.00 175.29 173.39 2kfp h PRO 68 N 0.01 0.00 0.00 2.91 0.13 -1.98 -1.35 132.00 131.72 2kfp h PRO 68 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 2kfp h PRO 68 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2kfp h PRO 68 CO 0.57 0.08 -1.12 1.49 -0.23 0.00 0.00 178.00 178.79 2kfp h GLU 69 N 0.00 0.00 -0.38 0.86 4.81 -1.95 -3.29 114.58 114.64 2kfp h GLU 69 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kfp h GLU 69 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2kfp h GLU 69 CO 0.01 0.39 0.00 1.28 -0.73 0.00 0.00 179.01 179.96 2kfp n LEU 70 N -3.01 3.07 -0.29 1.64 4.77 -0.82 -4.29 117.00 118.06 2kfp n LEU 70 Ca -0.06 -1.35 -0.06 0.00 -0.03 0.00 0.00 56.01 54.52 2kfp n LEU 70 Cb 0.82 -0.24 0.07 0.00 -2.33 0.00 0.00 43.42 41.73 2kfp n LEU 70 CO 0.42 0.67 1.05 1.62 -1.33 0.00 0.00 177.39 179.83 2kfp h VAL 71 N 3.89 1.26 0.00 4.08 3.04 -1.34 -2.06 116.25 125.12 2kfp h VAL 71 Ca 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 2kfp h VAL 71 Cb 0.86 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2kfp h VAL 71 CO 0.00 0.34 0.00 1.23 -1.01 0.00 0.00 177.57 178.13 2kfp h GLY 72 N 1.17 0.00 0.60 3.17 0.00 -1.82 -2.41 103.07 103.77 2kfp h GLY 72 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 2kfp h GLY 72 CO -0.02 0.00 -0.17 0.23 0.00 0.00 0.00 176.54 176.58 2kfp h SER 73 N 0.00 -0.41 1.00 0.19 0.87 -1.62 -2.78 113.55 110.80 2kfp h SER 73 Ca 0.00 -0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.27 2kfp h SER 73 Cb 0.67 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2kfp h SER 73 CO 0.00 -0.01 -1.07 0.17 -0.53 0.00 0.00 176.83 175.39 2kfp h LEU 74 N -0.89 0.00 -1.27 2.23 -0.00 -1.66 -3.31 115.31 110.42 2kfp h LEU 74 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 2kfp h LEU 74 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2kfp h LEU 74 CO 0.08 0.53 -0.09 -0.09 -0.00 0.00 0.00 178.44 178.87 2kfp h ARG 75 N 0.00 0.00 -0.00 0.17 2.43 -1.54 -2.03 114.38 113.41 2kfp h ARG 75 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2kfp h ARG 75 Cb 1.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2kfp h ARG 75 CO 0.05 0.09 -0.27 0.36 -1.51 0.00 0.00 179.97 178.69 2kfp n LYS 76 N -3.22 0.51 -2.88 0.20 -0.00 -1.05 -4.87 118.16 106.86 2kfp n LYS 76 Ca 0.01 -0.26 -0.32 0.00 -0.00 0.00 0.00 58.31 57.74 2kfp n LYS 76 Cb 0.36 -1.49 -0.05 0.00 -0.00 0.00 0.00 35.03 33.85 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 -2.67 3.92 0.51 -1.58 1.02 -0.76 -5.04 119.74 115.14 2kfp s LYS 77 Ca 0.21 0.67 -0.21 0.00 0.02 0.00 0.00 55.97 56.66 2kfp s LYS 77 Cb 0.19 -2.35 -0.06 0.00 -0.52 0.00 0.00 37.83 35.09 2kfp s LYS 77 CO 0.56 -0.01 1.16 -1.25 -0.92 0.00 0.00 175.35 174.89 2kfp s PRO 78 N -3.53 3.48 0.00 -1.68 0.04 -1.26 -3.34 135.00 128.72 2kfp s PRO 78 Ca 0.54 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2kfp s PRO 78 Cb -0.10 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2kfp s PRO 78 CO 0.25 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2kfp n GLY 79 N 0.32 3.00 3.62 0.56 0.00 -1.26 -4.44 105.19 106.99 2kfp n GLY 79 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.52 5.20 0.23 -0.61 1.01 -1.21 -0.95 121.20 123.36 2kfp s ILE 80 Ca 0.00 0.54 0.11 0.00 0.00 0.00 0.00 60.65 61.30 2kfp s ILE 80 Cb 0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2kfp s ILE 80 CO 0.00 0.19 -0.15 -0.31 0.00 0.00 0.00 174.94 174.67 2kfp s TYR 81 N 1.87 2.44 0.71 3.97 2.02 -0.57 -4.82 117.35 122.97 2kfp s TYR 81 Ca 0.15 -0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.39 2kfp s TYR 81 Cb -0.15 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 2kfp s TYR 81 CO 0.09 0.60 1.26 -2.14 -1.57 0.00 0.00 175.55 173.79 2kfp s PRO 82 N -3.17 2.16 0.65 -1.71 0.02 -1.26 -2.39 135.00 129.31 2kfp s PRO 82 Ca 0.27 1.93 -0.17 0.00 0.02 0.00 0.00 61.00 63.05 2kfp s PRO 82 Cb -0.07 -1.82 -0.00 0.00 0.02 0.00 0.00 34.50 32.63 2kfp s PRO 82 CO 0.15 -1.86 1.23 0.00 -0.33 0.00 0.00 177.00 176.19 2kfp s ALA 83 N -1.71 2.36 -2.46 -1.55 0.00 -1.26 -4.60 121.76 112.54 2kfp s ALA 83 Ca 0.79 1.03 0.26 0.00 0.00 0.00 0.00 51.96 54.03 2kfp s ALA 83 Cb -0.34 -3.49 0.93 0.00 0.00 0.00 0.00 23.12 20.22 2kfp s ALA 83 CO 0.44 -1.52 1.67 0.66 0.00 0.00 0.00 175.76 177.01 2kfp n TYR 84 N -2.05 0.06 -3.03 0.00 4.01 -1.26 -4.90 117.16 110.00 2kfp n TYR 84 Ca 0.14 -0.03 -0.08 0.00 -0.16 0.00 0.00 57.90 57.77 2kfp n TYR 84 Cb 0.49 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.28 -2.68 -0.25 -0.72 8.25 -1.26 -5.01 115.22 113.84 2kfp n HIS 85 Ca 0.18 -0.88 -0.06 0.00 -0.26 0.00 0.00 57.72 56.70 2kfp n HIS 85 Cb 0.36 -0.23 0.09 0.00 1.12 0.00 0.00 29.99 31.33 2kfp n HIS 85 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2kfp h MET 86 N 0.00 1.11 -7.17 -0.41 4.05 -2.03 -3.43 114.93 107.05 2kfp h MET 86 Ca -0.11 -0.23 -0.51 0.00 -0.28 0.00 0.00 59.70 58.56 2kfp h MET 86 Cb 0.52 -0.17 0.11 0.00 -0.80 0.00 0.00 31.60 31.26 2kfp h MET 86 CO 0.16 0.94 0.40 -0.80 0.23 0.00 0.00 176.91 177.84 2kfp s ASN 87 N -6.44 5.03 0.19 1.39 0.02 -1.26 -4.93 114.94 108.95 2kfp s ASN 87 Ca -0.12 2.13 0.00 0.00 -1.02 0.00 0.00 52.86 53.86 2kfp s ASN 87 Cb 0.15 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.86 2kfp s ASN 87 CO 0.84 -1.68 0.00 1.17 0.02 0.00 0.00 177.10 177.44 2kfp n LYS 88 N -2.22 0.00 0.19 -0.60 4.81 -1.26 -4.54 118.16 114.54 2kfp n LYS 88 Ca 0.11 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.69 2kfp n LYS 88 Cb 0.51 0.00 0.42 0.00 0.02 0.00 0.00 35.03 35.98 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 0.00 0.00 1.64 5.08 -1.96 -3.33 114.58 116.00 2kfp h GLU 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kfp h GLU 89 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kfp h GLU 89 CO 0.00 0.00 -0.08 0.45 -1.00 0.00 0.00 179.01 178.38 2kfp h HIS 90 N 0.00 0.00 -3.44 4.33 3.86 -1.89 -3.41 115.15 114.60 2kfp h HIS 90 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 2kfp h HIS 90 Cb 0.69 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.02 2kfp h HIS 90 CO 0.00 0.00 -0.68 -1.58 0.86 0.00 0.00 177.93 176.53 2kfp s TRP 91 N -1.50 2.94 -0.02 2.45 0.51 -1.25 -2.46 118.94 119.60 2kfp s TRP 91 Ca -0.02 -0.04 0.03 0.00 -2.12 0.00 0.00 56.10 53.95 2kfp s TRP 91 Cb 0.00 -1.55 -0.00 0.00 -0.81 0.00 0.00 33.47 31.11 2kfp s TRP 91 CO 0.03 0.45 -0.11 0.42 -0.51 0.00 0.00 176.95 177.23 2kfp s ILE 92 N -1.20 0.93 -0.05 2.03 -1.09 -0.95 -4.36 121.20 116.50 2kfp s ILE 92 Ca 0.22 -0.46 -0.23 0.00 -2.23 0.00 0.00 60.65 57.96 2kfp s ILE 92 Cb -0.11 -0.80 -0.04 0.00 -1.58 0.00 0.00 42.46 39.93 2kfp s ILE 92 CO 0.14 0.27 0.67 -0.89 -1.23 0.00 0.00 174.94 173.91 2kfp s THR 93 N 0.00 5.01 -0.10 2.92 2.01 -1.00 -2.84 115.64 121.65 2kfp s THR 93 Ca -0.00 1.39 0.01 0.00 0.31 0.00 0.00 61.69 63.40 2kfp s THR 93 Cb -0.07 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 2kfp s THR 93 CO 0.00 0.29 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.41 2kfp s VAL 94 N 0.58 3.21 -0.47 3.82 1.01 -0.13 -1.51 120.40 126.91 2kfp s VAL 94 Ca 0.36 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 2kfp s VAL 94 Cb -0.18 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.92 2kfp s VAL 94 CO 0.18 0.56 0.77 -0.22 0.00 0.00 0.00 175.10 176.39 2kfp s LEU 95 N -0.18 4.34 0.18 3.92 2.96 -0.12 -2.06 118.68 127.72 2kfp s LEU 95 Ca 0.01 -0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 53.53 2kfp s LEU 95 Cb -0.13 -2.84 0.09 0.00 0.50 0.00 0.00 46.19 43.80 2kfp s LEU 95 CO 0.03 -0.95 1.69 -0.07 -1.32 0.00 0.00 176.35 175.73 2kfp h LEU 96 N 10.17 0.97 -1.60 -0.68 3.38 -1.57 -1.45 115.31 124.53 2kfp h LEU 96 Ca -0.25 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2kfp h LEU 96 Cb 1.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2kfp h LEU 96 CO 0.97 0.96 0.00 0.59 0.09 0.00 0.00 178.44 181.05 2kfp n ASN 97 N -4.31 2.10 -3.74 -0.43 3.02 -1.25 -2.49 115.26 108.17 2kfp n ASN 97 Ca 0.04 -2.22 -0.15 0.00 -0.03 0.00 0.00 54.58 52.22 2kfp n ASN 97 Cb 0.25 -0.54 0.07 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.14 0.91 0.37 7.41 0.00 -0.55 -4.99 105.19 108.49 2kfp n GLY 98 Ca 0.06 -2.04 0.10 0.00 0.00 0.00 0.00 46.02 44.14 2kfp n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kfp h PRO 99 N 0.00 0.73 -6.81 1.61 0.11 -1.85 -3.43 132.00 122.37 2kfp h PRO 99 Ca -0.21 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.30 2kfp h PRO 99 Cb 0.81 -0.17 0.10 0.00 0.11 0.00 0.00 31.00 31.86 2kfp h PRO 99 CO 0.24 0.49 0.70 1.47 -0.21 0.00 0.00 178.00 180.69 2kfp n LEU 100 N -4.54 4.13 0.00 2.35 -0.00 -1.26 -5.00 117.00 112.68 2kfp n LEU 100 Ca 0.15 1.19 -0.10 0.00 -0.00 0.00 0.00 56.01 57.26 2kfp n LEU 100 Cb 0.38 -1.55 0.05 0.00 -0.00 0.00 0.00 43.42 42.29 2kfp n LEU 100 CO 0.31 -0.10 0.22 0.61 -0.00 0.00 0.00 177.39 178.43 2kfp n GLY 101 N 1.15 0.96 0.31 1.47 0.00 -1.26 -4.63 105.19 103.19 2kfp n GLY 101 Ca 0.05 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.35 1.00 -0.76 4.61 0.00 -1.95 -2.41 119.26 119.41 2kfp h ALA 102 Ca -0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2kfp h ALA 102 Cb 0.52 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2kfp h ALA 102 CO 0.15 0.64 0.33 0.87 0.00 0.00 0.00 179.25 181.24 2kfp h LYS 103 N 0.96 1.11 -0.79 0.00 1.57 -2.00 -2.12 116.57 115.30 2kfp h LYS 103 Ca 0.19 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2kfp h LYS 103 Cb 0.41 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2kfp h LYS 103 CO 0.01 0.88 0.31 0.93 -0.57 0.00 0.00 179.45 181.01 2kfp h GLU 104 N 1.08 1.18 -0.51 3.15 4.39 -1.85 -2.40 114.58 119.62 2kfp h GLU 104 Ca 0.26 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2kfp h GLU 104 Cb 0.16 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2kfp h GLU 104 CO -0.03 0.96 0.19 0.82 -1.16 0.00 0.00 179.01 179.79 2kfp h ILE 105 N 1.14 1.22 -0.29 3.13 2.04 -1.01 -1.28 117.51 122.46 2kfp h ILE 105 Ca 0.26 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.44 2kfp h ILE 105 Cb 0.22 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2kfp h ILE 105 CO -0.02 0.26 0.18 0.45 0.00 0.00 0.00 178.15 179.01 2kfp h HIS 106 N 0.68 0.33 -0.52 1.37 3.86 -1.11 0.88 115.15 120.64 2kfp h HIS 106 Ca 0.17 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2kfp h HIS 106 Cb 0.21 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 2kfp h HIS 106 CO 0.01 0.20 0.25 0.77 0.86 0.00 0.00 177.93 180.02 2kfp h SER 107 N 0.36 0.68 -0.40 2.45 0.02 -1.25 0.11 113.55 115.52 2kfp h SER 107 Ca 0.11 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2kfp h SER 107 Cb -0.02 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2kfp h SER 107 CO -0.04 0.62 0.16 -0.07 -1.14 0.00 0.00 176.83 176.36 2kfp h LEU 108 N 0.70 0.56 -0.47 5.07 3.38 -0.87 -2.52 115.31 121.16 2kfp h LEU 108 Ca 0.18 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2kfp h LEU 108 Cb 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2kfp h LEU 108 CO -0.02 0.58 0.07 0.40 0.09 0.00 0.00 178.44 179.55 2kfp h ILE 109 N 0.51 1.25 -0.78 1.22 2.04 -0.61 -2.68 117.51 118.45 2kfp h ILE 109 Ca 0.13 -0.93 0.14 0.00 1.00 0.00 0.00 64.86 65.20 2kfp h ILE 109 Cb 0.20 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.13 2kfp h ILE 109 CO -0.01 0.33 0.36 -0.08 0.00 0.00 0.00 178.15 178.74 2kfp h GLU 110 N 0.65 0.51 -0.52 2.37 4.81 -0.55 0.59 114.58 122.44 2kfp h GLU 110 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2kfp h GLU 110 Cb 0.40 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2kfp h GLU 110 CO 0.01 0.34 0.27 0.22 -0.73 0.00 0.00 179.01 179.12 2kfp h ASP 111 N 0.53 0.66 -0.47 1.04 3.58 -1.17 -1.09 116.42 119.49 2kfp h ASP 111 Ca 0.42 -0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.65 2kfp h ASP 111 Cb 0.60 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 2kfp h ASP 111 CO -0.37 0.58 -0.14 0.77 -2.88 0.00 0.00 179.24 177.20 2kfp h SER 112 N 0.69 0.97 -0.41 2.28 4.64 -0.62 -3.03 113.55 118.06 2kfp h SER 112 Ca 0.18 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2kfp h SER 112 Cb 0.08 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 2kfp h SER 112 CO -0.03 1.10 0.22 0.15 -0.87 0.00 0.00 176.83 177.41 2kfp h PHE 113 N 0.85 0.56 -0.86 4.77 3.57 0.45 -2.08 116.94 124.20 2kfp h PHE 113 Ca 0.13 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.73 2kfp h PHE 113 Cb 0.70 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.18 2kfp h PHE 113 CO 0.04 0.43 0.49 1.96 -2.23 0.00 0.00 178.31 179.00 2kfp h GLN 114 N 0.53 0.75 -0.65 1.11 4.20 -1.11 1.40 115.11 121.34 2kfp h GLN 114 Ca 0.14 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 2kfp h GLN 114 Cb 0.06 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2kfp h GLN 114 CO -0.02 0.50 0.06 -0.07 -0.67 0.00 0.00 178.83 178.63 2kfp h LEU 115 N 0.77 1.06 -3.13 1.46 3.38 -1.34 -2.77 115.31 114.74 2kfp h LEU 115 Ca 0.43 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2kfp h LEU 115 Cb 0.47 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2kfp h LEU 115 CO -0.28 1.07 0.00 0.35 0.09 0.00 0.00 178.44 179.67 2kfp n THR 116 N -4.20 1.81 -1.04 0.22 -2.24 -0.38 -5.00 114.28 103.46 2kfp n THR 116 Ca 0.04 -1.19 -0.35 0.00 -2.27 0.00 0.00 64.05 60.28 2kfp n THR 116 Cb 0.32 0.15 0.09 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.21 0.02 0.00 -0.78 1.85 0.47 -4.65 116.66 114.77 2kfp n ARG 117 Ca 0.26 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 2kfp n ARG 117 Cb 0.89 -1.76 0.00 0.00 -1.05 0.00 0.00 32.46 30.55 2kfp n ARG 117 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2kfp n LEU 118 N -0.37 0.00 0.00 2.89 4.32 -1.26 -4.98 117.00 117.60 2kfp n LEU 118 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 2kfp n LEU 118 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2kfp n LEU 118 CO 0.51 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 176.06 2kfp n GLU 119 N 0.00 0.00 -3.07 3.23 1.02 -1.26 -4.95 120.64 115.61 2kfp n GLU 119 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2kfp n GLU 119 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 2kfp n GLU 119 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kfp n HIS 120 N 1.67 -3.19 -2.32 -0.32 -0.00 -1.26 -4.95 115.22 104.86 2kfp n HIS 120 Ca 0.00 1.29 -0.32 0.00 0.46 0.00 0.00 57.72 59.15 2kfp n HIS 120 Cb 0.00 -3.53 -0.03 0.00 -0.12 0.00 0.00 29.99 26.31 2kfp n HIS 120 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kfp s HIS 121 N -2.43 3.45 0.22 1.57 3.76 -1.26 -4.96 115.29 115.64 2kfp s HIS 121 Ca 0.23 1.45 -0.08 0.00 -0.15 0.00 0.00 55.06 56.51 2kfp s HIS 121 Cb -0.05 -2.79 0.18 0.00 1.11 0.00 0.00 32.58 31.03 2kfp s HIS 121 CO 0.80 -0.44 1.83 0.45 -0.85 0.00 0.00 174.74 176.53 2kfp h HIS 122 N 0.74 1.17 -3.15 1.40 3.86 -2.05 -3.42 115.15 113.71 2kfp h HIS 122 Ca -0.46 -0.04 -0.53 0.00 -1.16 0.00 0.00 60.37 58.18 2kfp h HIS 122 Cb 1.19 -0.37 0.02 0.00 1.06 0.00 0.00 27.41 29.30 2kfp h HIS 122 CO 0.64 0.83 0.64 -1.58 0.86 0.00 0.00 177.93 179.31 2kfp s HIS 123 N -5.80 3.34 0.26 2.45 5.65 -1.26 -5.00 115.29 114.93 2kfp s HIS 123 Ca -0.13 1.15 -0.21 0.00 0.25 0.00 0.00 55.06 56.12 2kfp s HIS 123 Cb 0.16 -3.55 -0.09 0.00 -1.18 0.00 0.00 32.58 27.92 2kfp s HIS 123 CO 0.82 -1.79 0.80 -1.01 -0.65 0.00 0.00 174.74 172.91 2kfp s HIS 124 N 0.91 3.64 -2.15 3.88 0.09 -1.26 -5.13 115.29 115.28 2kfp s HIS 124 Ca 0.61 1.51 0.31 0.00 -0.00 0.00 0.00 55.06 57.48 2kfp s HIS 124 Cb -0.33 -2.71 1.66 0.00 -0.00 0.00 0.00 32.58 31.19 2kfp s HIS 124 CO 0.31 0.27 2.09 -2.39 -0.00 0.00 0.00 174.74 175.02