#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfp n ASN 2 N 0.00 -1.58 0.07 6.12 0.23 -1.26 -4.88 115.26 113.96 2kfp n ASN 2 Ca 0.00 -2.66 0.04 0.00 -0.53 0.00 0.00 54.58 51.42 2kfp n ASN 2 Cb 0.00 2.80 0.43 0.00 -2.08 0.00 0.00 39.78 40.93 2kfp n ASN 2 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2kfp h ARG 3 N 0.00 0.38 -0.54 -3.83 0.11 -1.96 -2.38 114.38 106.15 2kfp h ARG 3 Ca -0.27 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.75 2kfp h ARG 3 Cb 1.12 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 32.10 2kfp h ARG 3 CO 0.36 0.33 0.31 0.37 0.10 0.00 0.00 179.97 181.44 2kfp h GLN 4 N 0.38 0.75 -0.61 0.08 -0.00 -2.00 -1.55 115.11 112.17 2kfp h GLN 4 Ca 0.10 -0.08 -0.06 0.00 -0.00 0.00 0.00 58.65 58.60 2kfp h GLN 4 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.40 2kfp h GLN 4 CO -0.01 0.57 0.13 1.96 0.00 0.00 0.00 178.83 181.47 2kfp h GLN 5 N 0.73 0.97 -0.49 1.69 7.50 -1.83 -1.58 115.11 122.10 2kfp h GLN 5 Ca 0.19 -0.23 0.00 0.00 0.50 0.00 0.00 58.65 59.12 2kfp h GLN 5 Cb 0.03 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.40 2kfp h GLN 5 CO -0.03 0.88 0.32 0.35 -1.50 0.00 0.00 178.83 178.85 2kfp h PHE 6 N 0.93 0.62 -0.40 2.96 3.04 -1.11 0.39 116.94 123.36 2kfp h PHE 6 Ca 0.19 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 2kfp h PHE 6 Cb 0.36 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 2kfp h PHE 6 CO 0.02 0.40 0.14 0.82 -2.02 0.00 0.00 178.31 177.67 2kfp h ILE 7 N 0.66 1.21 -0.28 1.41 2.04 -0.92 0.44 117.51 122.07 2kfp h ILE 7 Ca 0.18 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 2kfp h ILE 7 Cb -0.06 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2kfp h ILE 7 CO -0.04 0.24 0.06 0.44 0.00 0.00 0.00 178.15 178.85 2kfp h ASP 8 N 0.50 0.42 -0.78 1.72 3.32 -0.91 -2.63 116.42 118.07 2kfp h ASP 8 Ca 0.13 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 2kfp h ASP 8 Cb 0.23 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2kfp h ASP 8 CO -0.01 0.55 0.29 0.22 -1.72 0.00 0.00 179.24 178.58 2kfp h TYR 9 N 0.28 1.21 -0.75 4.55 3.20 -0.06 -2.52 116.97 122.87 2kfp h TYR 9 Ca 0.09 -0.10 0.11 0.00 3.14 0.00 0.00 58.73 61.96 2kfp h TYR 9 Cb 0.30 -0.36 -0.08 0.00 1.54 0.00 0.00 36.73 38.13 2kfp h TYR 9 CO 0.02 0.93 0.38 0.00 -1.64 0.00 0.00 178.16 177.84 2kfp h ALA 10 N 1.16 1.06 -0.52 1.82 0.00 0.17 0.99 119.26 123.95 2kfp h ALA 10 Ca 0.26 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 2kfp h ALA 10 Cb 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2kfp h ALA 10 CO -0.02 -0.04 -0.10 1.96 0.00 0.00 0.00 179.25 181.05 2kfp h GLN 11 N 0.62 0.98 -0.65 0.00 4.20 -1.12 0.89 115.11 120.04 2kfp h GLN 11 Ca 0.38 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2kfp h GLN 11 Cb 0.43 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2kfp h GLN 11 CO -0.29 1.04 0.22 -0.22 -0.67 0.00 0.00 178.83 178.91 2kfp h LYS 12 N 0.85 0.98 0.10 1.46 3.64 -0.80 2.16 116.57 124.96 2kfp h LYS 12 Ca 0.13 -0.18 -0.32 0.00 -1.27 0.00 0.00 60.65 59.01 2kfp h LYS 12 Cb 0.66 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2kfp h LYS 12 CO 0.05 0.83 -1.68 -0.22 -2.27 0.00 0.00 179.45 176.16 2kfp h LYS 13 N 0.95 0.21 0.00 1.90 1.63 -0.62 -3.41 116.57 117.23 2kfp h LYS 13 Ca 0.21 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2kfp h LYS 13 Cb 0.25 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2kfp h LYS 13 CO -0.01 1.03 -1.06 0.66 -3.45 0.00 0.00 179.45 176.62 2kfp n TYR 14 N -3.39 0.00 -3.48 1.91 4.01 0.30 -5.02 117.16 111.50 2kfp n TYR 14 Ca -0.20 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.29 2kfp n TYR 14 Cb 1.05 -0.03 0.06 0.00 -0.31 0.00 0.00 39.34 40.10 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 -1.59 -6.12 -4.62 7.72 2.03 0.73 -4.93 116.55 109.77 2kfp n ASP 15 Ca -0.00 -0.50 -0.34 0.00 0.52 0.00 0.00 54.79 54.46 2kfp n ASP 15 Cb 0.08 -4.85 -0.10 0.00 -0.72 0.00 0.00 41.12 35.52 2kfp n ASP 15 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kfp s THR 16 N -3.27 4.26 0.01 5.18 2.01 -1.26 -4.98 115.64 117.59 2kfp s THR 16 Ca 0.52 -0.25 -0.28 0.00 0.31 0.00 0.00 61.69 62.00 2kfp s THR 16 Cb -0.24 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2kfp s THR 16 CO 0.65 0.55 0.88 -0.54 -0.69 0.00 0.00 174.62 175.47 2kfp s LYS 17 N -0.36 4.54 0.37 4.92 1.02 -1.26 -4.58 119.74 124.39 2kfp s LYS 17 Ca 0.07 1.25 -0.25 0.00 0.02 0.00 0.00 55.97 57.06 2kfp s LYS 17 Cb -0.12 -3.43 -0.12 0.00 -0.52 0.00 0.00 37.83 33.63 2kfp s LYS 17 CO 0.02 0.06 0.85 -2.30 -0.92 0.00 0.00 175.35 173.06 2kfp n PRO 18 N 3.58 1.05 -4.08 -1.68 -0.02 -1.26 -4.92 135.00 127.68 2kfp n PRO 18 Ca 0.03 0.38 -0.28 0.00 -2.02 0.00 0.00 63.50 61.61 2kfp n PRO 18 Cb 0.51 -1.78 -0.17 0.00 -0.02 0.00 0.00 33.50 32.04 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 -0.77 2.28 -0.59 2.55 -1.08 -0.48 -4.92 116.67 113.67 2kfp s ASP 19 Ca 0.62 -0.36 0.04 0.00 -0.52 0.00 0.00 52.55 52.33 2kfp s ASP 19 Cb -0.63 -0.95 0.14 0.00 -1.46 0.00 0.00 42.92 40.03 2kfp s ASP 19 CO 0.58 -0.07 0.35 -1.38 0.52 0.00 0.00 175.17 175.17 2kfp s HIS 20 N 1.44 3.32 0.36 -5.34 -3.43 -1.26 0.05 115.29 110.43 2kfp s HIS 20 Ca 0.01 -3.21 0.09 0.00 -0.80 0.00 0.00 55.06 51.15 2kfp s HIS 20 Cb -0.13 -2.81 0.82 0.00 -1.43 0.00 0.00 32.58 29.03 2kfp s HIS 20 CO -0.07 -0.68 1.87 -1.35 -2.00 0.00 0.00 174.74 172.51 2kfp h PRO 21 N 6.16 0.67 -5.06 -0.38 0.11 -1.94 -3.26 132.00 128.30 2kfp h PRO 21 Ca -0.00 -0.04 -0.71 0.00 0.11 0.00 0.00 66.00 65.36 2kfp h PRO 21 Cb 0.85 -0.15 -0.16 0.00 0.11 0.00 0.00 31.00 31.65 2kfp h PRO 21 CO 0.70 0.45 1.30 1.67 -0.21 0.00 0.00 178.00 181.91 2kfp s TRP 22 N -5.68 3.23 -0.11 0.65 -2.14 -1.26 -4.80 118.94 108.83 2kfp s TRP 22 Ca -0.10 -1.76 0.15 0.00 2.66 0.00 0.00 56.10 57.05 2kfp s TRP 22 Cb 0.22 -4.38 0.79 0.00 -3.10 0.00 0.00 33.47 27.00 2kfp s TRP 22 CO 0.79 -1.51 1.37 -0.85 -2.66 0.00 0.00 176.95 174.09 2kfp n GLU 23 N 6.47 0.10 0.00 3.25 0.28 -1.23 0.21 120.64 129.71 2kfp n GLU 23 Ca 0.34 0.57 0.13 0.00 -0.16 0.00 0.00 57.16 58.04 2kfp n GLU 23 Cb 0.46 -2.01 0.70 0.00 1.43 0.00 0.00 31.44 32.01 2kfp n GLU 23 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kfp n LYS 24 N -2.06 0.60 -3.27 3.44 5.02 -1.26 -4.04 118.16 116.59 2kfp n LYS 24 Ca -0.01 0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.06 2kfp n LYS 24 Cb 0.22 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.13 -0.88 0.07 2.13 3.72 0.13 -4.97 117.46 116.54 2kfp n PHE 25 Ca 0.16 -3.30 0.12 0.00 -0.05 0.00 0.00 57.45 54.38 2kfp n PHE 25 Cb 0.14 0.09 0.59 0.00 -0.94 0.00 0.00 39.48 39.36 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 4.90 0.17 0.00 -1.08 0.11 -1.75 0.57 132.00 134.91 2kfp h PRO 26 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2kfp h PRO 26 Cb 0.91 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2kfp h PRO 26 CO 0.39 0.11 0.00 -0.44 -0.21 0.00 0.00 178.00 177.85 2kfp h ASP 27 N 0.17 0.00 -3.26 -2.05 3.32 -1.94 -3.42 116.42 109.24 2kfp h ASP 27 Ca 0.16 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.62 2kfp h ASP 27 Cb 0.40 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.88 2kfp h ASP 27 CO -0.02 0.00 -0.17 -0.31 -1.72 0.00 0.00 179.24 177.02 2kfp s TYR 28 N -3.46 3.56 -0.00 4.55 1.51 0.19 -4.74 117.35 118.95 2kfp s TYR 28 Ca 0.02 0.88 0.04 0.00 -1.01 0.00 0.00 57.07 57.00 2kfp s TYR 28 Cb 0.09 -2.48 -0.01 0.00 -0.11 0.00 0.00 41.96 39.45 2kfp s TYR 28 CO 0.40 0.28 -0.12 0.00 -1.11 0.00 0.00 175.55 175.00 2kfp s ALA 29 N 0.24 0.98 -0.04 3.71 0.00 -0.98 -4.59 121.76 121.08 2kfp s ALA 29 Ca 0.24 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.68 2kfp s ALA 29 Cb -0.15 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2kfp s ALA 29 CO 0.10 0.23 -0.10 0.08 0.00 0.00 0.00 175.76 176.07 2kfp s VAL 30 N -0.38 0.89 -0.02 0.00 1.01 0.11 -2.41 120.40 119.60 2kfp s VAL 30 Ca 0.04 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2kfp s VAL 30 Cb -0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2kfp s VAL 30 CO -0.00 0.28 -0.00 -0.36 0.00 0.00 0.00 175.10 175.02 2kfp s PHE 31 N 0.39 3.07 -0.05 5.22 0.08 -1.13 -1.38 117.98 124.18 2kfp s PHE 31 Ca -0.07 0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.08 2kfp s PHE 31 Cb -0.11 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.67 2kfp s PHE 31 CO 0.01 0.45 -0.07 0.50 -0.10 0.00 0.00 175.22 176.02 2kfp s ARG 32 N -1.42 1.06 -0.36 0.44 3.52 -1.26 -4.04 118.95 116.89 2kfp s ARG 32 Ca 0.18 -0.19 -0.11 0.00 -0.13 0.00 0.00 55.73 55.48 2kfp s ARG 32 Cb -0.11 -0.99 0.01 0.00 -1.56 0.00 0.00 34.95 32.30 2kfp s ARG 32 CO 0.09 -0.05 0.21 -1.01 -0.81 0.00 0.00 175.30 173.72 2kfp s HIS 33 N 0.85 3.23 -0.52 5.12 3.76 -1.26 -4.93 115.29 121.54 2kfp s HIS 33 Ca -0.12 -0.73 0.24 0.00 -0.15 0.00 0.00 55.06 54.29 2kfp s HIS 33 Cb -0.15 -2.45 0.25 0.00 1.11 0.00 0.00 32.58 31.35 2kfp s HIS 33 CO 0.01 -0.56 1.27 0.66 -0.85 0.00 0.00 174.74 175.26 2kfp h SER 34 N 8.45 0.00 0.00 1.40 4.64 -1.95 -3.30 113.55 122.79 2kfp h SER 34 Ca -0.28 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2kfp h SER 34 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2kfp h SER 34 CO 0.66 0.07 -0.05 0.47 -0.87 0.00 0.00 176.83 177.11 2kfp n ASP 35 N -2.34 2.05 -0.92 4.97 8.00 -1.26 -4.08 116.55 122.98 2kfp n ASP 35 Ca 0.02 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 53.89 2kfp n ASP 35 Cb 0.48 0.04 0.20 0.00 -0.02 0.00 0.00 41.12 41.82 2kfp n ASP 35 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kfp n ASN 36 N 0.53 2.14 0.00 -2.24 2.85 -1.24 -4.96 115.26 112.34 2kfp n ASN 36 Ca 0.16 -3.83 0.00 0.00 -0.11 0.00 0.00 54.58 50.80 2kfp n ASN 36 Cb 0.45 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 40.88 2kfp n ASN 36 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kfp n ASP 37 N -1.12 0.00 -4.73 1.20 -0.08 -1.26 -4.45 116.55 106.11 2kfp n ASP 37 Ca 0.27 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 53.14 2kfp n ASP 37 Cb 0.89 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.30 2kfp n ASP 37 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2kfp s LYS 38 N 0.00 4.74 -0.02 -0.67 2.20 -1.26 -4.90 119.74 119.83 2kfp s LYS 38 Ca 0.00 1.46 -0.03 0.00 -0.36 0.00 0.00 55.97 57.05 2kfp s LYS 38 Cb 0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 2kfp s LYS 38 CO 0.00 0.30 0.07 1.67 -0.36 0.00 0.00 175.35 177.03 2kfp s TRP 39 N -0.34 -0.04 -0.29 4.03 -2.14 -1.26 -4.89 118.94 114.01 2kfp s TRP 39 Ca 0.45 0.11 -0.10 0.00 2.66 0.00 0.00 56.10 59.23 2kfp s TRP 39 Cb -0.24 0.00 0.13 0.00 -3.10 0.00 0.00 33.47 30.26 2kfp s TRP 39 CO 0.30 -0.06 0.64 0.71 -2.66 0.00 0.00 176.95 175.88 2kfp s TYR 40 N -0.17 -1.32 -0.28 1.66 2.02 -1.26 -4.92 117.35 113.08 2kfp s TYR 40 Ca -0.02 2.29 0.01 0.00 -0.37 0.00 0.00 57.07 58.98 2kfp s TYR 40 Cb -0.02 0.78 0.18 0.00 -0.40 0.00 0.00 41.96 42.50 2kfp s TYR 40 CO 0.00 -0.66 0.52 0.00 -1.57 0.00 0.00 175.55 173.84 2kfp s ALA 41 N 2.88 -1.87 -0.17 3.71 0.00 -1.26 -4.83 121.76 120.22 2kfp s ALA 41 Ca -0.06 1.15 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 2kfp s ALA 41 Cb -0.12 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 2kfp s ALA 41 CO -0.19 -1.53 -0.09 -0.51 0.00 0.00 0.00 175.76 173.44 2kfp s LEU 42 N 2.73 2.80 -0.18 0.00 2.01 -1.26 -2.86 118.68 121.92 2kfp s LEU 42 Ca 0.14 -0.36 0.01 0.00 0.01 0.00 0.00 54.13 53.93 2kfp s LEU 42 Cb -0.13 -1.67 0.03 0.00 0.01 0.00 0.00 46.19 44.43 2kfp s LEU 42 CO -0.23 0.08 -0.13 -0.22 1.01 0.00 0.00 176.35 176.86 2kfp s LEU 43 N 0.90 2.14 0.19 1.79 0.20 -1.01 -1.92 118.68 120.98 2kfp s LEU 43 Ca -0.02 -0.76 -0.23 0.00 0.69 0.00 0.00 54.13 53.80 2kfp s LEU 43 Cb -0.15 -1.26 0.05 0.00 -0.43 0.00 0.00 46.19 44.40 2kfp s LEU 43 CO 0.00 -0.10 0.79 0.00 -0.29 0.00 0.00 176.35 176.75 2kfp s MET 44 N 1.39 1.43 -0.28 1.98 0.23 -1.13 -2.32 119.30 120.61 2kfp s MET 44 Ca 0.01 -0.74 -0.07 0.00 -1.03 0.00 0.00 55.69 53.86 2kfp s MET 44 Cb -0.15 0.52 -0.01 0.00 -1.53 0.00 0.00 34.83 33.67 2kfp s MET 44 CO -0.09 -0.65 0.09 0.16 -2.03 0.00 0.00 175.02 172.49 2kfp s ASP 45 N -2.86 5.18 0.07 -1.18 -4.77 -1.26 -1.92 116.67 109.94 2kfp s ASP 45 Ca 0.09 -0.51 0.09 0.00 -3.30 0.00 0.00 52.55 48.93 2kfp s ASP 45 Cb -0.03 -1.91 -0.03 0.00 -1.09 0.00 0.00 42.92 39.85 2kfp s ASP 45 CO 0.01 -0.14 -0.24 0.27 0.70 0.00 0.00 175.17 175.77 2kfp s ILE 46 N 1.56 2.40 0.43 2.11 -4.36 -0.82 -4.89 121.20 117.62 2kfp s ILE 46 Ca 0.04 -1.45 -0.23 0.00 -0.26 0.00 0.00 60.65 58.75 2kfp s ILE 46 Cb -0.16 -2.01 -0.12 0.00 1.25 0.00 0.00 42.46 41.42 2kfp s ILE 46 CO 0.03 0.26 0.68 -2.65 0.24 0.00 0.00 174.94 173.50 2kfp n PRO 47 N 1.39 0.77 0.32 0.37 -0.02 -1.26 -2.72 135.00 133.84 2kfp n PRO 47 Ca -0.17 0.28 0.20 0.00 -2.02 0.00 0.00 63.50 61.79 2kfp n PRO 47 Cb 0.52 -1.67 1.07 0.00 -0.02 0.00 0.00 33.50 33.41 2kfp n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kfp h ALA 48 N 0.96 1.13 0.00 3.55 0.00 -1.53 -0.88 119.26 122.50 2kfp h ALA 48 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kfp h ALA 48 Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2kfp h ALA 48 CO 0.53 0.01 0.00 0.93 0.00 0.00 0.00 179.25 180.72 2kfp h GLU 49 N 0.00 0.00 0.00 0.00 4.39 -1.66 -2.58 114.58 114.73 2kfp h GLU 49 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kfp h GLU 49 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2kfp h GLU 49 CO 0.00 0.00 -0.26 1.63 -1.16 0.00 0.00 179.01 179.22 2kfp n LYS 50 N -2.36 0.06 -0.08 2.33 4.76 -0.33 -3.36 118.16 119.17 2kfp n LYS 50 Ca 0.02 0.03 0.09 0.00 -2.87 0.00 0.00 58.31 55.58 2kfp n LYS 50 Cb 0.25 -1.55 0.13 0.00 -1.84 0.00 0.00 35.03 32.02 2kfp n LYS 50 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2kfp n ILE 51 N -1.64 0.28 -0.13 -0.18 -5.35 -0.99 -4.52 119.36 106.83 2kfp n ILE 51 Ca 0.06 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2kfp n ILE 51 Cb 0.36 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 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 1.09 0.71 3.75 3.28 0.00 -1.21 -4.92 105.19 107.88 2kfp n GLY 52 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 4.32 0.25 -0.61 1.01 -1.10 -4.94 121.20 117.73 2kfp s ILE 53 Ca 0.00 1.95 -0.05 0.00 0.00 0.00 0.00 60.65 62.54 2kfp s ILE 53 Cb 0.00 -4.26 0.21 0.00 0.01 0.00 0.00 42.46 38.42 2kfp s ILE 53 CO 0.00 0.45 1.87 0.78 0.00 0.00 0.00 174.94 178.04 2kfp h ASN 54 N 4.70 1.06 -1.38 3.58 2.35 -1.95 -3.32 115.58 120.62 2kfp h ASN 54 Ca -0.45 -0.09 -0.66 0.00 -0.55 0.00 0.00 56.30 54.55 2kfp h ASN 54 Cb 1.20 -0.27 0.11 0.00 0.05 0.00 0.00 38.32 39.41 2kfp h ASN 54 CO 0.69 0.85 -0.35 0.61 -1.65 0.00 0.00 177.43 177.58 2kfp n GLY 55 N -1.15 -1.34 1.33 2.83 0.00 -1.26 -4.80 105.19 100.80 2kfp n GLY 55 Ca 0.09 0.34 0.09 0.00 0.00 0.00 0.00 46.02 46.54 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 1.80 4.29 -4.78 1.61 5.75 -1.26 -3.53 116.55 120.42 2kfp n ASP 56 Ca 0.16 -2.39 -0.38 0.00 -0.01 0.00 0.00 54.79 52.18 2kfp n ASP 56 Cb 0.26 -0.51 -0.06 0.00 -1.03 0.00 0.00 41.12 39.78 2kfp n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kfp s LYS 57 N -1.72 4.54 0.39 0.11 2.20 -1.26 -4.63 119.74 119.36 2kfp s LYS 57 Ca 0.45 1.20 -0.25 0.00 -0.36 0.00 0.00 55.97 57.02 2kfp s LYS 57 Cb 0.29 -2.96 -0.09 0.00 -1.51 0.00 0.00 37.83 33.56 2kfp s LYS 57 CO 0.23 0.39 1.12 1.03 -0.36 0.00 0.00 175.35 177.76 2kfp s ARG 58 N -1.76 4.15 0.13 4.03 0.52 -1.26 -1.75 118.95 123.02 2kfp s ARG 58 Ca 0.45 1.72 0.01 0.00 -0.52 0.00 0.00 55.73 57.39 2kfp s ARG 58 Cb -0.20 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 2kfp s ARG 58 CO 0.25 -0.20 -0.01 0.14 0.02 0.00 0.00 175.30 175.49 2kfp s VAL 59 N -1.47 0.55 -0.10 3.52 -7.23 -1.10 -4.85 120.40 109.72 2kfp s VAL 59 Ca 0.56 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 2kfp s VAL 59 Cb -0.28 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 2kfp s VAL 59 CO 0.35 -0.63 0.24 -1.81 -0.31 0.00 0.00 175.10 172.94 2kfp s ASP 60 N -3.09 6.50 0.09 4.85 1.01 -1.26 -1.95 116.67 122.81 2kfp s ASP 60 Ca 0.19 0.59 0.03 0.00 0.71 0.00 0.00 52.55 54.07 2kfp s ASP 60 Cb 0.06 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 2kfp s ASP 60 CO -0.00 0.30 -0.09 0.68 0.21 0.00 0.00 175.17 176.27 2kfp s VAL 61 N -0.59 0.79 0.03 -1.27 -7.23 -0.81 -2.08 120.40 109.25 2kfp s VAL 61 Ca 0.17 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 2kfp s VAL 61 Cb -0.13 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 2kfp s VAL 61 CO 0.06 -0.61 -0.05 0.27 -0.31 0.00 0.00 175.10 174.46 2kfp s ILE 62 N -2.56 0.30 0.44 -0.62 -4.36 -1.10 -2.84 121.20 110.45 2kfp s ILE 62 Ca 0.04 -1.03 -0.17 0.00 -0.26 0.00 0.00 60.65 59.24 2kfp s ILE 62 Cb -0.02 -0.47 -0.09 0.00 1.25 0.00 0.00 42.46 43.14 2kfp s ILE 62 CO -0.01 -0.48 0.90 -0.62 0.24 0.00 0.00 174.94 174.97 2kfp s ASP 63 N -1.58 6.73 -0.04 4.36 2.15 -0.81 -2.09 116.67 125.39 2kfp s ASP 63 Ca -0.12 1.49 -0.02 0.00 0.43 0.00 0.00 52.55 54.33 2kfp s ASP 63 Cb -0.09 -2.47 0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2kfp s ASP 63 CO -0.01 -0.42 0.08 -0.22 -0.17 0.00 0.00 175.17 174.43 2kfp s LEU 64 N -3.58 0.52 -0.03 -1.34 1.98 -0.75 -4.75 118.68 110.74 2kfp s LEU 64 Ca 0.58 0.14 -0.25 0.00 -2.89 0.00 0.00 54.13 51.71 2kfp s LEU 64 Cb -0.10 0.03 -0.04 0.00 0.66 0.00 0.00 46.19 46.74 2kfp s LEU 64 CO 0.23 -0.19 0.77 -1.59 -1.89 0.00 0.00 176.35 173.68 2kfp s LYS 65 N 1.65 4.48 0.13 1.98 -2.85 -1.26 -2.32 119.74 121.55 2kfp s LYS 65 Ca -0.02 1.03 -0.02 0.00 -1.00 0.00 0.00 55.97 55.96 2kfp s LYS 65 Cb -0.12 -3.43 -0.04 0.00 -2.06 0.00 0.00 37.83 32.18 2kfp s LYS 65 CO -0.04 0.09 0.08 0.14 0.10 0.00 0.00 175.35 175.73 2kfp s VAL 66 N 0.64 0.10 0.44 1.79 -7.23 -0.33 -4.77 120.40 111.04 2kfp s VAL 66 Ca 0.41 -1.84 -0.07 0.00 -1.81 0.00 0.00 61.98 58.67 2kfp s VAL 66 Cb -0.19 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 2kfp s VAL 66 CO 0.21 -0.45 0.76 -1.10 -0.31 0.00 0.00 175.10 174.22 2kfp s GLN 67 N -4.04 3.62 0.65 4.82 -0.21 -1.26 -4.42 119.66 118.81 2kfp s GLN 67 Ca 0.23 0.26 0.41 0.00 0.02 0.00 0.00 55.36 56.29 2kfp s GLN 67 Cb 0.07 -2.40 2.26 0.00 1.00 0.00 0.00 33.01 33.93 2kfp s GLN 67 CO 0.01 -0.12 2.33 -1.00 -2.12 0.00 0.00 175.29 174.40 2kfp h PRO 68 N 0.66 0.00 0.00 2.91 0.13 -1.97 0.43 132.00 134.16 2kfp h PRO 68 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 2kfp h PRO 68 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2kfp h PRO 68 CO 0.63 0.00 -2.01 -1.91 -0.23 0.00 0.00 178.00 174.48 2kfp n GLU 69 N -3.23 0.66 0.00 0.86 4.07 -1.26 -4.13 120.64 117.61 2kfp n GLU 69 Ca -0.03 0.14 0.12 0.00 -0.06 0.00 0.00 57.16 57.33 2kfp n GLU 69 Cb 0.09 -1.66 0.25 0.00 -0.06 0.00 0.00 31.44 30.06 2kfp n GLU 69 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2kfp n LEU 70 N -2.87 1.67 -0.07 4.31 4.77 -0.69 -4.15 117.00 119.97 2kfp n LEU 70 Ca -0.23 -0.55 -0.03 0.00 -0.03 0.00 0.00 56.01 55.16 2kfp n LEU 70 Cb 1.07 -0.05 0.20 0.00 -2.33 0.00 0.00 43.42 42.31 2kfp n LEU 70 CO 0.44 0.30 0.88 1.62 -1.33 0.00 0.00 177.39 179.30 2kfp h VAL 71 N 2.23 1.23 -0.60 4.08 3.04 -0.33 -2.84 116.25 123.07 2kfp h VAL 71 Ca 0.00 -0.97 -0.04 0.00 -1.01 0.00 0.00 66.70 64.68 2kfp h VAL 71 Cb 0.65 0.94 -0.03 0.00 -2.01 0.00 0.00 31.29 30.84 2kfp h VAL 71 CO 0.00 0.34 0.22 1.23 -1.01 0.00 0.00 177.57 178.35 2kfp h GLY 72 N 0.94 0.97 1.00 3.17 0.00 -1.82 1.04 103.07 108.38 2kfp h GLY 72 Ca 0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2kfp h GLY 72 CO 0.02 0.51 0.36 1.76 0.00 0.00 0.00 176.54 179.18 2kfp h SER 73 N 0.83 0.83 0.65 0.19 0.02 -1.75 0.87 113.55 115.19 2kfp h SER 73 Ca 0.20 -0.10 -0.27 0.00 -0.84 0.00 0.00 61.79 60.78 2kfp h SER 73 Cb 0.23 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2kfp h SER 73 CO -0.01 0.69 -1.42 0.25 -1.14 0.00 0.00 176.83 175.20 2kfp h LEU 74 N 0.90 0.12 -0.42 5.07 6.46 -1.33 -3.33 115.31 122.78 2kfp h LEU 74 Ca 0.23 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 2kfp h LEU 74 Cb 0.05 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2kfp h LEU 74 CO -0.04 1.14 -0.16 -0.09 -0.62 0.00 0.00 178.44 178.68 2kfp h ARG 75 N 0.02 0.00 -0.01 1.25 2.43 0.13 -2.93 114.38 115.27 2kfp h ARG 75 Ca -0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2kfp h ARG 75 Cb 1.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 2kfp h ARG 75 CO 0.12 0.16 -0.08 0.36 -1.51 0.00 0.00 179.97 179.02 2kfp n LYS 76 N -3.18 0.98 -2.53 0.20 -0.00 0.29 -4.84 118.16 109.08 2kfp n LYS 76 Ca 0.02 -0.39 -0.33 0.00 -0.00 0.00 0.00 58.31 57.62 2kfp n LYS 76 Cb 0.53 -1.49 -0.04 0.00 -0.00 0.00 0.00 35.03 34.03 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 -2.29 3.89 0.55 -1.58 1.02 -1.11 -5.03 119.74 115.20 2kfp s LYS 77 Ca 0.34 1.18 -0.18 0.00 0.02 0.00 0.00 55.97 57.33 2kfp s LYS 77 Cb 0.21 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.34 2kfp s LYS 77 CO 0.43 -0.33 1.08 -1.25 -0.92 0.00 0.00 175.35 174.36 2kfp s PRO 78 N -3.50 3.41 0.00 -1.68 0.04 -1.26 -3.21 135.00 128.79 2kfp s PRO 78 Ca 0.63 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2kfp s PRO 78 Cb -0.13 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2kfp s PRO 78 CO 0.22 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2kfp n GLY 79 N -0.29 2.40 3.55 0.56 0.00 -1.26 -4.70 105.19 105.45 2kfp n GLY 79 Ca 0.10 0.00 -0.40 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 -0.79 5.19 0.26 -0.61 1.01 -1.20 -2.07 121.20 122.99 2kfp s ILE 80 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.83 2kfp s ILE 80 Cb 0.00 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 2kfp s ILE 80 CO 0.00 -0.04 -0.15 -0.31 0.00 0.00 0.00 174.94 174.44 2kfp s TYR 81 N 1.98 2.05 0.71 3.97 2.02 -0.91 -4.71 117.35 122.47 2kfp s TYR 81 Ca 0.11 -0.48 -0.16 0.00 -0.37 0.00 0.00 57.07 56.17 2kfp s TYR 81 Cb -0.16 -0.98 0.03 0.00 -0.40 0.00 0.00 41.96 40.44 2kfp s TYR 81 CO 0.11 0.52 1.23 -2.14 -1.57 0.00 0.00 175.55 173.70 2kfp s PRO 82 N -3.60 2.21 0.34 -1.71 0.02 -1.26 -2.38 135.00 128.62 2kfp s PRO 82 Ca 0.28 1.85 -0.28 0.00 0.02 0.00 0.00 61.00 62.87 2kfp s PRO 82 Cb -0.01 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.55 2kfp s PRO 82 CO 0.12 -1.80 1.21 0.00 -0.33 0.00 0.00 177.00 176.19 2kfp n ALA 83 N -2.53 0.90 1.48 -1.55 0.00 -1.26 -4.59 120.51 112.95 2kfp n ALA 83 Ca 0.14 0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.96 2kfp n ALA 83 Cb 0.50 -2.19 0.17 0.00 0.00 0.00 0.00 19.45 17.92 2kfp n ALA 83 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kfp n TYR 84 N 0.23 0.00 -3.32 0.00 4.11 -1.26 -4.81 117.16 112.11 2kfp n TYR 84 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.93 2kfp n TYR 84 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.70 2kfp n TYR 84 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.86 174.47 2kfp n HIS 85 N -0.62 -1.25 -0.93 -3.48 1.44 -1.26 -5.13 115.22 104.00 2kfp n HIS 85 Ca 0.04 -0.54 -0.33 0.00 -2.01 0.00 0.00 57.72 54.88 2kfp n HIS 85 Cb 0.02 0.24 0.03 0.00 0.12 0.00 0.00 29.99 30.40 2kfp n HIS 85 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2kfp n MET 86 N -0.15 0.00 -1.98 -1.40 2.81 -1.26 -4.44 117.12 110.71 2kfp n MET 86 Ca -0.02 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.84 2kfp n MET 86 Cb 0.16 -0.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 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 3.06 -4.10 -0.03 7.83 5.03 -1.26 -4.94 115.26 120.85 2kfp n ASN 87 Ca -0.01 0.19 -0.04 0.00 0.87 0.00 0.00 54.58 55.59 2kfp n ASN 87 Cb 0.50 -2.55 -0.04 0.00 -1.02 0.00 0.00 39.78 36.67 2kfp n ASN 87 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2kfp n LYS 88 N -0.43 1.24 0.00 3.52 4.81 -1.25 -4.35 118.16 121.70 2kfp n LYS 88 Ca 0.04 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2kfp n LYS 88 Cb 0.16 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.06 2kfp n LYS 88 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2kfp n GLU 89 N -2.54 0.00 0.06 1.64 2.13 -1.26 -3.93 120.64 116.74 2kfp n GLU 89 Ca -0.12 0.03 -0.02 0.00 0.66 0.00 0.00 57.16 57.70 2kfp n GLU 89 Cb 0.66 -0.74 0.23 0.00 0.27 0.00 0.00 31.44 31.85 2kfp n GLU 89 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kfp h HIS 90 N 0.00 0.39 -3.29 4.31 3.86 -1.90 -3.43 115.15 115.09 2kfp h HIS 90 Ca 0.00 -0.09 -0.58 0.00 -1.16 0.00 0.00 60.37 58.53 2kfp h HIS 90 Cb 0.00 -0.09 -0.09 0.00 1.06 0.00 0.00 27.41 28.29 2kfp h HIS 90 CO 0.00 0.64 -0.23 -1.58 0.86 0.00 0.00 177.93 177.62 2kfp s TRP 91 N -4.33 3.50 0.02 2.45 0.51 -1.25 -1.19 118.94 118.64 2kfp s TRP 91 Ca -0.06 0.76 0.02 0.00 -2.12 0.00 0.00 56.10 54.71 2kfp s TRP 91 Cb 0.14 -2.44 -0.01 0.00 -0.81 0.00 0.00 33.47 30.34 2kfp s TRP 91 CO 0.78 0.23 -0.08 0.42 -0.51 0.00 0.00 176.95 177.79 2kfp s ILE 92 N 0.46 0.58 -0.05 2.03 -1.09 -0.98 -3.84 121.20 118.30 2kfp s ILE 92 Ca 0.21 -0.60 -0.18 0.00 -2.23 0.00 0.00 60.65 57.85 2kfp s ILE 92 Cb -0.14 -0.54 -0.05 0.00 -1.58 0.00 0.00 42.46 40.15 2kfp s ILE 92 CO 0.07 -0.04 0.49 0.42 -1.23 0.00 0.00 174.94 174.65 2kfp s THR 93 N -0.61 5.05 -0.10 2.92 -4.23 -1.00 -1.80 115.64 115.87 2kfp s THR 93 Ca -0.02 1.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.51 2kfp s THR 93 Cb -0.05 -3.81 -0.02 0.00 1.34 0.00 0.00 72.50 69.95 2kfp s THR 93 CO 0.00 0.43 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.68 2kfp s VAL 94 N -0.15 2.94 -0.20 2.29 1.01 -0.89 -2.13 120.40 123.26 2kfp s VAL 94 Ca 0.26 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 2kfp s VAL 94 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2kfp s VAL 94 CO 0.13 0.55 0.53 -0.22 0.00 0.00 0.00 175.10 176.09 2kfp s LEU 95 N -0.06 4.14 0.10 3.92 2.96 -0.88 -2.73 118.68 126.14 2kfp s LEU 95 Ca -0.03 0.68 0.25 0.00 -0.22 0.00 0.00 54.13 54.80 2kfp s LEU 95 Cb -0.14 -2.72 0.44 0.00 0.50 0.00 0.00 46.19 44.27 2kfp s LEU 95 CO 0.04 -0.20 1.40 0.18 -1.32 0.00 0.00 176.35 176.45 2kfp n LEU 96 N 4.88 0.65 -0.70 -0.68 4.77 -0.88 -3.30 117.00 121.74 2kfp n LEU 96 Ca -0.04 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.30 2kfp n LEU 96 Cb 0.50 -0.22 0.34 0.00 -2.33 0.00 0.00 43.42 41.71 2kfp n LEU 96 CO 0.42 -0.03 0.76 0.59 -1.33 0.00 0.00 177.39 177.80 2kfp n ASN 97 N -2.00 2.17 -1.83 -1.43 5.03 -1.26 -4.80 115.26 111.14 2kfp n ASN 97 Ca 0.04 -1.73 0.00 0.00 0.87 0.00 0.00 54.58 53.76 2kfp n ASN 97 Cb 0.42 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.17 2kfp n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kfp n GLY 98 N 1.25 0.36 0.00 7.41 0.00 -1.21 -4.89 105.19 108.11 2kfp n GLY 98 Ca 0.17 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.34 2kfp n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kfp n PRO 99 N -0.55 0.38 -2.20 1.61 -0.02 -1.26 -4.78 135.00 128.18 2kfp n PRO 99 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 2kfp n PRO 99 Cb 0.00 -1.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 2kfp n PRO 99 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kfp s LEU 100 N -1.10 4.32 0.30 2.45 2.01 -1.26 -5.01 118.68 120.39 2kfp s LEU 100 Ca 0.02 2.13 0.04 0.00 0.01 0.00 0.00 54.13 56.32 2kfp s LEU 100 Cb 0.01 -3.56 -0.02 0.00 0.01 0.00 0.00 46.19 42.63 2kfp s LEU 100 CO 0.01 -0.74 0.45 -0.83 1.01 0.00 0.00 176.35 176.26 2kfp s GLY 101 N 1.96 1.35 0.16 -3.19 0.00 -1.26 -4.92 107.32 101.41 2kfp s GLY 101 Ca 0.64 -1.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.01 2kfp s GLY 101 CO 0.27 -1.15 1.80 0.00 0.00 0.00 0.00 173.10 174.01 2kfp h ALA 102 N 0.95 0.50 -0.59 3.20 0.00 -1.98 0.29 119.26 121.64 2kfp h ALA 102 Ca -0.50 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2kfp h ALA 102 Cb 1.23 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2kfp h ALA 102 CO 0.59 -0.08 0.13 0.87 0.00 0.00 0.00 179.25 180.76 2kfp h LYS 103 N 0.49 0.95 -0.35 0.00 1.57 -1.99 -0.08 116.57 117.16 2kfp h LYS 103 Ca 0.15 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2kfp h LYS 103 Cb -0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2kfp h LYS 103 CO -0.06 0.88 0.06 0.93 -0.57 0.00 0.00 179.45 180.69 2kfp h GLU 104 N 0.86 0.57 -0.49 3.15 4.39 -1.81 -1.59 114.58 119.66 2kfp h GLU 104 Ca 0.18 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2kfp h GLU 104 Cb 0.37 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2kfp h GLU 104 CO 0.00 0.64 0.14 0.82 -1.16 0.00 0.00 179.01 179.46 2kfp h ILE 105 N 0.41 1.23 -0.75 3.13 2.04 -0.27 -2.38 117.51 120.92 2kfp h ILE 105 Ca 0.11 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.20 2kfp h ILE 105 Cb 0.34 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2kfp h ILE 105 CO 0.01 0.29 0.48 0.45 0.00 0.00 0.00 178.15 179.37 2kfp h HIS 106 N 0.66 0.91 -0.55 1.37 3.86 -0.84 -0.72 115.15 119.84 2kfp h HIS 106 Ca 0.16 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2kfp h HIS 106 Cb 0.29 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2kfp h HIS 106 CO 0.02 0.53 0.31 0.77 0.86 0.00 0.00 177.93 180.42 2kfp h SER 107 N 0.95 0.68 -0.62 2.45 0.02 -1.02 0.09 113.55 116.10 2kfp h SER 107 Ca 0.30 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2kfp h SER 107 Cb -0.02 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2kfp h SER 107 CO -0.10 0.56 0.20 -0.07 -1.14 0.00 0.00 176.83 176.28 2kfp h LEU 108 N 0.74 0.90 -0.56 5.07 3.38 -0.91 -2.49 115.31 121.44 2kfp h LEU 108 Ca 0.20 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2kfp h LEU 108 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2kfp h LEU 108 CO -0.03 0.87 0.20 0.40 0.09 0.00 0.00 178.44 179.96 2kfp h ILE 109 N 0.89 1.23 -0.82 1.22 2.04 -0.75 -2.15 117.51 119.17 2kfp h ILE 109 Ca 0.20 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.39 2kfp h ILE 109 Cb 0.29 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 2kfp h ILE 109 CO -0.01 0.29 0.47 -0.08 0.00 0.00 0.00 178.15 178.82 2kfp h GLU 110 N 0.78 0.78 -0.74 2.37 4.81 -0.67 0.47 114.58 122.38 2kfp h GLU 110 Ca 0.18 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2kfp h GLU 110 Cb 0.24 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2kfp h GLU 110 CO -0.01 0.52 0.29 0.22 -0.73 0.00 0.00 179.01 179.29 2kfp h ASP 111 N 0.81 1.04 -0.50 1.04 1.82 -1.02 -2.17 116.42 117.43 2kfp h ASP 111 Ca 0.39 -0.18 -0.04 0.00 -0.39 0.00 0.00 57.03 56.81 2kfp h ASP 111 Cb 0.33 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 2kfp h ASP 111 CO -0.23 0.93 0.17 0.28 -1.61 0.00 0.00 179.24 178.78 2kfp h SER 112 N 1.08 0.76 -0.27 2.28 0.02 -0.45 -0.49 113.55 116.48 2kfp h SER 112 Ca 0.25 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2kfp h SER 112 Cb 0.23 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2kfp h SER 112 CO -0.02 0.72 0.17 0.15 -1.14 0.00 0.00 176.83 176.71 2kfp h PHE 113 N 0.80 0.35 0.00 3.45 3.57 -0.35 -2.28 116.94 122.49 2kfp h PHE 113 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2kfp h PHE 113 Cb 0.24 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2kfp h PHE 113 CO 0.01 0.24 -0.05 -0.56 -2.23 0.00 0.00 178.31 175.73 2kfp h GLN 114 N 0.35 0.00 -0.72 1.11 3.07 -1.25 -3.05 115.11 114.61 2kfp h GLN 114 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.82 2kfp h GLN 114 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.52 2kfp h GLN 114 CO -0.02 0.05 0.39 1.25 0.09 0.00 0.00 178.83 180.59 2kfp h LEU 115 N 0.00 0.91 -3.29 0.06 5.85 -0.49 -2.27 115.31 116.07 2kfp h LEU 115 Ca -0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2kfp h LEU 115 Cb 0.89 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2kfp h LEU 115 CO 0.01 0.75 0.00 0.35 -0.34 0.00 0.00 178.44 179.20 2kfp n THR 116 N -4.47 2.18 -1.26 1.05 -2.24 -1.14 -5.02 114.28 103.38 2kfp n THR 116 Ca 0.06 -1.31 -0.44 0.00 -2.27 0.00 0.00 64.05 60.09 2kfp n THR 116 Cb 0.10 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.84 0.00 -2.44 -0.78 0.63 -0.86 -4.87 116.66 109.18 2kfp n ARG 117 Ca 0.26 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.85 2kfp n ARG 117 Cb 0.99 -0.94 -0.02 0.00 0.45 0.00 0.00 32.46 32.94 2kfp n ARG 117 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kfp s LEU 118 N 2.39 3.79 -1.52 6.15 1.43 -1.26 -3.24 118.68 126.42 2kfp s LEU 118 Ca 0.60 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 2kfp s LEU 118 Cb -0.86 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 40.80 2kfp s LEU 118 CO 0.50 -0.90 0.00 -0.62 0.23 0.00 0.00 176.35 175.56 2kfp n GLU 119 N -1.13 -1.82 -0.19 1.70 1.02 -1.26 -4.84 120.64 114.12 2kfp n GLU 119 Ca 0.10 0.86 -0.10 0.00 -0.02 0.00 0.00 57.16 57.99 2kfp n GLU 119 Cb 0.52 -5.43 0.01 0.00 -0.02 0.00 0.00 31.44 26.52 2kfp n GLU 119 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2kfp h HIS 120 N 0.00 1.16 -2.67 -0.32 2.76 -1.91 -3.42 115.15 110.76 2kfp h HIS 120 Ca -0.39 -0.24 -0.55 0.00 -2.20 0.00 0.00 60.37 56.99 2kfp h HIS 120 Cb 1.26 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 2kfp h HIS 120 CO 0.59 1.07 1.07 -3.38 -1.30 0.00 0.00 177.93 175.98 2kfp s HIS 121 N -4.85 2.11 0.08 5.26 -3.43 -1.26 -4.98 115.29 108.22 2kfp s HIS 121 Ca -0.12 0.35 -0.25 0.00 -0.80 0.00 0.00 55.06 54.25 2kfp s HIS 121 Cb 0.13 -3.86 -0.06 0.00 -1.43 0.00 0.00 32.58 27.36 2kfp s HIS 121 CO 0.86 -3.43 0.76 -1.58 -2.00 0.00 0.00 174.74 169.35 2kfp s HIS 122 N 4.11 3.78 -0.04 0.38 2.46 -1.26 -5.06 115.29 119.65 2kfp s HIS 122 Ca 0.71 1.50 -0.07 0.00 0.47 0.00 0.00 55.06 57.67 2kfp s HIS 122 Cb -0.31 -2.79 0.01 0.00 -0.13 0.00 0.00 32.58 29.36 2kfp s HIS 122 CO 0.27 0.35 0.17 -1.58 -2.47 0.00 0.00 174.74 171.48 2kfp s HIS 123 N -0.37 -0.12 0.23 3.88 5.04 -1.26 -5.04 115.29 117.66 2kfp s HIS 123 Ca 0.37 0.28 -0.08 0.00 -1.54 0.00 0.00 55.06 54.09 2kfp s HIS 123 Cb -0.21 0.03 0.22 0.00 0.04 0.00 0.00 32.58 32.66 2kfp s HIS 123 CO 0.24 -0.16 1.91 0.45 -2.34 0.00 0.00 174.74 174.83 2kfp h HIS 124 N 5.32 1.15 0.00 3.88 3.86 -2.07 -3.56 115.15 123.73 2kfp h HIS 124 Ca -0.27 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2kfp h HIS 124 Cb 1.20 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 29.28 2kfp h HIS 124 CO 0.47 0.73 0.00 1.58 0.86 0.00 0.00 177.93 181.57