#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 6.39 0.18 6.12 0.02 -1.26 -4.51 114.94 121.88 2kfp s ASN 2 Ca 0.00 0.51 -0.11 0.00 -1.02 0.00 0.00 52.86 52.23 2kfp s ASN 2 Cb 0.00 -2.05 0.10 0.00 0.02 0.00 0.00 41.25 39.32 2kfp s ASN 2 CO 0.00 -0.14 1.78 -0.09 0.02 0.00 0.00 177.10 178.67 2kfp h ARG 3 N 1.66 0.92 -0.84 -0.60 2.43 -2.00 -2.53 114.38 113.42 2kfp h ARG 3 Ca -0.48 -0.13 0.12 0.00 -0.81 0.00 0.00 59.98 58.68 2kfp h ARG 3 Cb 1.20 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.49 2kfp h ARG 3 CO 0.66 0.72 0.47 0.37 -1.51 0.00 0.00 179.97 180.68 2kfp h GLN 4 N 0.89 0.71 -0.33 0.20 5.75 -2.00 0.40 115.11 120.74 2kfp h GLN 4 Ca 0.22 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.59 2kfp h GLN 4 Cb 0.09 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 2kfp h GLN 4 CO -0.03 0.47 -0.18 1.96 -2.65 0.00 0.00 178.83 178.41 2kfp h GLN 5 N 0.74 0.59 -0.51 1.69 1.08 -1.87 -2.23 115.11 114.60 2kfp h GLN 5 Ca 0.43 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2kfp h GLN 5 Cb 0.48 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2kfp h GLN 5 CO -0.29 0.74 0.31 0.35 -0.95 0.00 0.00 178.83 178.98 2kfp h PHE 6 N 0.53 0.67 -0.40 2.96 3.57 -0.57 0.21 116.94 123.91 2kfp h PHE 6 Ca 0.09 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2kfp h PHE 6 Cb 0.60 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2kfp h PHE 6 CO 0.02 0.47 0.13 0.82 -2.23 0.00 0.00 178.31 177.52 2kfp h ILE 7 N 0.68 1.22 -0.72 1.41 1.08 -1.13 -1.83 117.51 118.22 2kfp h ILE 7 Ca 0.18 -0.71 -0.04 0.00 -0.39 0.00 0.00 64.86 63.90 2kfp h ILE 7 Cb -0.01 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 2kfp h ILE 7 CO -0.03 0.25 0.29 0.44 -0.69 0.00 0.00 178.15 178.41 2kfp h ASP 8 N 0.51 0.99 -0.01 1.72 3.32 -1.02 0.43 116.42 122.35 2kfp h ASP 8 Ca 0.13 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2kfp h ASP 8 Cb 0.26 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kfp h ASP 8 CO -0.00 0.89 0.01 0.22 -1.72 0.00 0.00 179.24 178.63 2kfp h TYR 9 N 1.03 0.02 -0.22 4.55 3.20 -0.32 -1.54 116.97 123.68 2kfp h TYR 9 Ca 0.24 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.98 2kfp h TYR 9 Cb 0.20 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2kfp h TYR 9 CO 0.02 0.03 -0.40 0.00 -1.64 0.00 0.00 178.16 176.17 2kfp h ALA 10 N 0.99 0.90 -0.04 1.82 0.00 -1.14 -2.71 119.26 119.08 2kfp h ALA 10 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2kfp h ALA 10 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2kfp h ALA 10 CO -0.00 0.63 -0.00 0.37 0.00 0.00 0.00 179.25 180.25 2kfp h GLN 11 N 0.42 0.01 -0.72 0.00 4.15 0.28 0.31 115.11 119.56 2kfp h GLN 11 Ca 0.04 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 2kfp h GLN 11 Cb 0.88 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 2kfp h GLN 11 CO 0.07 0.01 0.21 0.87 -1.93 0.00 0.00 178.83 178.06 2kfp h LYS 12 N 0.01 1.14 -0.27 1.69 1.57 -1.28 2.09 116.57 121.51 2kfp h LYS 12 Ca 0.02 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 2kfp h LYS 12 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2kfp h LYS 12 CO -0.03 0.99 -0.13 0.87 -0.57 0.00 0.00 179.45 180.57 2kfp h LYS 13 N 1.08 0.57 0.00 3.15 1.79 -1.12 -3.39 116.57 118.65 2kfp h LYS 13 Ca 0.23 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2kfp h LYS 13 Cb 0.34 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2kfp h LYS 13 CO -0.00 0.82 -0.52 0.66 -1.08 0.00 0.00 179.45 179.32 2kfp n TYR 14 N -4.44 0.00 -3.26 -1.35 4.01 0.10 -5.04 117.16 107.18 2kfp n TYR 14 Ca -0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.54 2kfp n TYR 14 Cb 0.36 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.46 2kfp n TYR 14 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2kfp n ASP 15 N -0.88 -3.53 -4.36 7.72 -0.08 0.71 -4.98 116.55 111.15 2kfp n ASP 15 Ca 0.00 -0.48 -0.33 0.00 -1.51 0.00 0.00 54.79 52.47 2kfp n ASP 15 Cb 0.00 -4.25 -0.14 0.00 2.34 0.00 0.00 41.12 39.07 2kfp n ASP 15 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2kfp s THR 16 N -3.28 3.10 0.45 5.18 2.01 -1.26 -5.00 115.64 116.85 2kfp s THR 16 Ca 0.20 -0.63 -0.12 0.00 0.31 0.00 0.00 61.69 61.45 2kfp s THR 16 Cb -0.09 -2.33 -0.07 0.00 0.01 0.00 0.00 72.50 70.03 2kfp s THR 16 CO 0.60 0.51 0.85 -0.54 -0.69 0.00 0.00 174.62 175.35 2kfp s LYS 17 N 0.58 3.81 0.34 4.92 1.02 -1.26 -4.67 119.74 124.47 2kfp s LYS 17 Ca -0.07 0.63 -0.27 0.00 0.02 0.00 0.00 55.97 56.27 2kfp s LYS 17 Cb -0.15 -2.29 -0.13 0.00 -0.52 0.00 0.00 37.83 34.74 2kfp s LYS 17 CO 0.03 -0.15 1.17 -2.30 -0.92 0.00 0.00 175.35 173.18 2kfp n PRO 18 N -1.51 1.78 -4.14 -1.68 -0.02 -1.26 -4.96 135.00 123.21 2kfp n PRO 18 Ca 0.04 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 2kfp n PRO 18 Cb 0.54 -2.14 -0.15 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.45 3.67 -0.70 2.55 2.15 -0.70 -4.91 116.67 118.27 2kfp s ASP 19 Ca 0.58 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.04 2kfp s ASP 19 Cb -0.61 -1.59 0.17 0.00 -0.30 0.00 0.00 42.92 40.60 2kfp s ASP 19 CO 0.61 0.01 0.52 -1.00 -0.17 0.00 0.00 175.17 175.14 2kfp s HIS 20 N 1.24 3.54 -0.80 -5.34 3.76 -1.26 -0.15 115.29 116.28 2kfp s HIS 20 Ca 0.03 -3.02 0.25 0.00 -0.15 0.00 0.00 55.06 52.17 2kfp s HIS 20 Cb -0.14 -3.04 0.95 0.00 1.11 0.00 0.00 32.58 31.46 2kfp s HIS 20 CO -0.07 -0.73 1.78 -0.35 -0.85 0.00 0.00 174.74 174.53 2kfp n PRO 21 N 2.76 0.15 -3.34 8.40 -0.04 -1.26 -4.44 135.00 137.23 2kfp n PRO 21 Ca 0.14 0.19 -0.46 0.00 -0.04 0.00 0.00 63.50 63.32 2kfp n PRO 21 Cb 0.36 -1.69 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 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 -3.09 3.56 0.12 0.54 0.51 -1.26 -4.88 118.94 114.44 2kfp s TRP 22 Ca 0.10 -1.77 0.32 0.00 -2.12 0.00 0.00 56.10 52.64 2kfp s TRP 22 Cb 0.14 -3.78 1.64 0.00 -0.81 0.00 0.00 33.47 30.65 2kfp s TRP 22 CO 0.51 -1.00 1.98 1.05 -0.51 0.00 0.00 176.95 178.99 2kfp h GLU 23 N 8.17 0.00 -0.00 4.98 4.11 -2.00 -0.31 114.58 129.53 2kfp h GLU 23 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2kfp h GLU 23 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2kfp h GLU 23 CO 0.86 0.00 -0.06 1.63 0.07 0.00 0.00 179.01 181.51 2kfp n LYS 24 N -2.70 0.87 -3.11 1.06 5.02 -1.26 -4.24 118.16 113.80 2kfp n LYS 24 Ca -0.01 -0.26 -0.21 0.00 -2.02 0.00 0.00 58.31 55.81 2kfp n LYS 24 Cb 0.12 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 2kfp n LYS 24 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2kfp n PHE 25 N -0.84 -0.85 0.26 2.13 3.72 -0.13 -4.95 117.46 116.81 2kfp n PHE 25 Ca 0.17 -3.27 0.09 0.00 -0.05 0.00 0.00 57.45 54.39 2kfp n PHE 25 Cb 0.25 -0.02 0.67 0.00 -0.94 0.00 0.00 39.48 39.43 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 3.94 0.00 0.00 -1.08 0.11 -1.74 -0.15 132.00 133.08 2kfp h PRO 26 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2kfp h PRO 26 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2kfp h PRO 26 CO 0.44 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.98 2kfp n ASP 27 N -4.47 0.00 -4.74 -2.05 8.00 -1.26 -4.64 116.55 107.39 2kfp n ASP 27 Ca -0.03 0.16 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 2kfp n ASP 27 Cb 0.09 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 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 -2.69 3.37 0.07 1.24 1.51 -0.07 -4.43 117.35 116.34 2kfp s TYR 28 Ca 0.15 0.28 0.08 0.00 -1.01 0.00 0.00 57.07 56.57 2kfp s TYR 28 Cb 0.12 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 2kfp s TYR 28 CO 0.29 0.43 -0.23 0.00 -1.11 0.00 0.00 175.55 174.93 2kfp s ALA 29 N -0.36 1.94 -0.07 3.71 0.00 -0.74 -4.69 121.76 121.53 2kfp s ALA 29 Ca 0.10 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.89 2kfp s ALA 29 Cb -0.12 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2kfp s ALA 29 CO 0.02 0.43 -0.17 0.08 0.00 0.00 0.00 175.76 176.12 2kfp s VAL 30 N -0.93 1.46 -0.29 0.00 1.01 0.79 -1.97 120.40 120.48 2kfp s VAL 30 Ca 0.09 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2kfp s VAL 30 Cb -0.09 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 35.02 2kfp s VAL 30 CO 0.03 0.43 0.00 -0.36 0.00 0.00 0.00 175.10 175.20 2kfp s PHE 31 N 0.50 3.19 -0.01 5.22 0.08 0.19 -1.73 117.98 125.42 2kfp s PHE 31 Ca -0.15 -1.62 0.02 0.00 0.12 0.00 0.00 56.93 55.30 2kfp s PHE 31 Cb -0.16 -2.13 -0.00 0.00 -0.57 0.00 0.00 43.02 40.16 2kfp s PHE 31 CO 0.05 -0.75 -0.07 1.03 -0.10 0.00 0.00 175.22 175.38 2kfp s ARG 32 N 1.32 0.65 -0.30 0.44 0.52 -1.26 -2.46 118.95 117.85 2kfp s ARG 32 Ca -0.02 -0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 54.83 2kfp s ARG 32 Cb -0.19 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.62 2kfp s ARG 32 CO -0.01 0.13 0.19 -1.01 0.02 0.00 0.00 175.30 174.62 2kfp s HIS 33 N -0.01 3.21 0.29 -0.53 3.76 -1.26 -4.96 115.29 115.79 2kfp s HIS 33 Ca 0.01 -0.08 -0.00 0.00 -0.15 0.00 0.00 55.06 54.83 2kfp s HIS 33 Cb -0.05 -2.40 0.44 0.00 1.11 0.00 0.00 32.58 31.69 2kfp s HIS 33 CO -0.00 -0.26 1.85 0.77 -0.85 0.00 0.00 174.74 176.25 2kfp h SER 34 N 8.39 0.75 -0.58 1.40 0.02 -1.93 0.12 113.55 121.72 2kfp h SER 34 Ca -0.34 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 2kfp h SER 34 Cb 1.18 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2kfp h SER 34 CO 0.58 0.72 0.30 0.44 -1.14 0.00 0.00 176.83 177.73 2kfp h ASP 35 N 0.79 0.74 -0.25 3.07 3.32 -1.99 -1.86 116.42 120.24 2kfp h ASP 35 Ca 0.18 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2kfp h ASP 35 Cb 0.25 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2kfp h ASP 35 CO -0.01 0.65 0.00 0.59 -1.72 0.00 0.00 179.24 178.75 2kfp n ASN 36 N -4.56 2.13 0.00 6.45 4.13 -1.04 -4.94 115.26 117.43 2kfp n ASN 36 Ca 0.03 -1.82 0.00 0.00 1.68 0.00 0.00 54.58 54.48 2kfp n ASN 36 Cb 0.11 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 2kfp n ASN 36 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kfp n ASP 37 N 0.63 0.00 0.00 6.41 -0.08 0.37 -4.12 116.55 119.76 2kfp n ASP 37 Ca 0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 2kfp n ASP 37 Cb 0.39 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.85 2kfp n ASP 37 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2kfp n LYS 38 N 0.00 0.00 -3.15 -0.67 5.02 -1.26 -4.53 118.16 113.57 2kfp n LYS 38 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2kfp n LYS 38 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.17 -4.10 2.13 -0.00 -1.26 -4.40 117.44 109.65 2kfp n TRP 39 Ca 0.00 0.08 -0.35 0.00 -0.00 0.00 0.00 57.50 57.23 2kfp n TRP 39 Cb 0.00 -1.12 -0.12 0.00 -0.00 0.00 0.00 31.31 30.07 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 -0.82 3.06 -0.18 5.87 1.51 -1.26 -4.06 117.35 121.47 2kfp s TYR 40 Ca -0.00 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 55.59 2kfp s TYR 40 Cb 0.00 -2.07 0.06 0.00 -0.11 0.00 0.00 41.96 39.84 2kfp s TYR 40 CO 0.03 -0.17 0.42 0.00 -1.11 0.00 0.00 175.55 174.72 2kfp s ALA 41 N 0.87 -1.09 0.02 3.71 0.00 -1.03 -4.35 121.76 119.88 2kfp s ALA 41 Ca 0.01 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.53 2kfp s ALA 41 Cb -0.14 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 2kfp s ALA 41 CO 0.02 -0.35 -0.03 -0.48 0.00 0.00 0.00 175.76 174.91 2kfp s LEU 42 N 1.62 2.15 -0.13 0.00 2.34 -1.25 0.53 118.68 123.94 2kfp s LEU 42 Ca -0.08 -0.32 0.01 0.00 0.06 0.00 0.00 54.13 53.80 2kfp s LEU 42 Cb -0.09 -0.01 -0.00 0.00 -0.56 0.00 0.00 46.19 45.53 2kfp s LEU 42 CO -0.13 -0.16 -0.17 -0.22 -1.06 0.00 0.00 176.35 174.61 2kfp s LEU 43 N -0.91 2.43 0.16 1.48 0.20 -0.83 -2.59 118.68 118.61 2kfp s LEU 43 Ca -0.08 -0.45 -0.14 0.00 0.69 0.00 0.00 54.13 54.14 2kfp s LEU 43 Cb -0.06 -1.53 0.02 0.00 -0.43 0.00 0.00 46.19 44.19 2kfp s LEU 43 CO -0.00 0.13 0.39 0.00 -0.29 0.00 0.00 176.35 176.58 2kfp s MET 44 N 0.52 1.19 -0.13 1.98 0.23 -1.09 -1.80 119.30 120.20 2kfp s MET 44 Ca -0.11 -0.92 -0.09 0.00 -1.03 0.00 0.00 55.69 53.54 2kfp s MET 44 Cb -0.16 0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 33.54 2kfp s MET 44 CO 0.04 -0.47 0.18 -0.51 -2.03 0.00 0.00 175.02 172.24 2kfp s ASP 45 N -2.88 6.40 0.01 -1.18 1.01 -1.26 -2.49 116.67 116.28 2kfp s ASP 45 Ca 0.09 0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.82 2kfp s ASP 45 Cb 0.01 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.83 2kfp s ASP 45 CO -0.05 0.31 -0.02 0.27 0.21 0.00 0.00 175.17 175.89 2kfp s ILE 46 N -0.54 0.07 0.20 0.77 -4.36 -1.09 -4.92 121.20 111.33 2kfp s ILE 46 Ca 0.14 -0.52 -0.32 0.00 -0.26 0.00 0.00 60.65 59.69 2kfp s ILE 46 Cb -0.12 -0.16 -0.15 0.00 1.25 0.00 0.00 42.46 43.28 2kfp s ILE 46 CO 0.04 -0.28 1.14 -2.65 0.24 0.00 0.00 174.94 173.42 2kfp n PRO 47 N 2.23 1.26 0.21 0.37 -0.02 -1.26 -2.74 135.00 135.05 2kfp n PRO 47 Ca -0.19 0.45 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 2kfp n PRO 47 Cb 0.57 -1.92 0.44 0.00 -0.02 0.00 0.00 33.50 32.57 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 3.11 1.49 -0.44 3.55 0.00 -0.25 -2.64 119.26 124.09 2kfp h ALA 48 Ca -0.42 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.36 2kfp h ALA 48 Cb 1.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2kfp h ALA 48 CO 0.68 0.35 0.32 1.05 0.00 0.00 0.00 179.25 181.65 2kfp h GLU 49 N 0.00 0.00 -0.38 0.00 4.11 0.30 -0.07 114.58 118.54 2kfp h GLU 49 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2kfp h GLU 49 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2kfp h GLU 49 CO 0.04 0.00 0.03 0.87 0.07 0.00 0.00 179.01 180.02 2kfp h LYS 50 N 0.00 0.58 -0.02 1.06 1.57 -1.73 -2.31 116.57 115.73 2kfp h LYS 50 Ca 0.21 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2kfp h LYS 50 Cb 0.84 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2kfp h LYS 50 CO -0.00 0.58 -0.13 0.44 -0.57 0.00 0.00 179.45 179.77 2kfp n ILE 51 N -4.29 0.00 -2.28 1.86 -5.35 -0.14 -4.95 119.36 104.22 2kfp n ILE 51 Ca 0.02 -0.35 -0.01 0.00 -0.27 0.00 0.00 62.75 62.14 2kfp n ILE 51 Cb 0.23 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 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 1.32 0.59 3.55 3.28 0.00 -0.59 -5.05 105.19 108.28 2kfp n GLY 52 Ca 0.14 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.51 3.74 0.00 -0.61 1.01 -0.87 -4.93 121.20 117.02 2kfp s ILE 53 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2kfp s ILE 53 Cb -0.01 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.90 2kfp s ILE 53 CO 0.02 0.57 0.00 -3.20 0.00 0.00 0.00 174.94 172.32 2kfp n ASN 54 N 2.67 0.00 0.00 3.58 2.85 -1.26 -4.12 115.26 118.98 2kfp n ASN 54 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2kfp n ASN 54 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 2kfp n ASN 54 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kfp n GLY 55 N 0.00 1.29 2.61 8.20 0.00 -1.26 -4.98 105.19 111.05 2kfp n GLY 55 Ca 0.00 0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 2kfp n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kfp n ASP 56 N 0.00 6.34 -4.72 1.61 -0.08 -1.26 0.24 116.55 118.69 2kfp n ASP 56 Ca 0.00 -3.78 -0.38 0.00 -1.51 0.00 0.00 54.79 49.12 2kfp n ASP 56 Cb 0.00 -0.78 -0.06 0.00 2.34 0.00 0.00 41.12 42.62 2kfp n ASP 56 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2kfp s LYS 57 N -3.82 4.33 0.22 -0.67 2.20 -1.26 -4.56 119.74 116.18 2kfp s LYS 57 Ca 0.52 0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 56.28 2kfp s LYS 57 Cb 0.43 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 33.22 2kfp s LYS 57 CO -0.25 0.14 1.21 1.03 -0.36 0.00 0.00 175.35 177.12 2kfp s ARG 58 N 0.68 4.49 0.17 4.03 0.52 -1.26 0.34 118.95 127.92 2kfp s ARG 58 Ca 0.26 1.93 0.02 0.00 -0.52 0.00 0.00 55.73 57.42 2kfp s ARG 58 Cb -0.15 -3.20 -0.05 0.00 0.52 0.00 0.00 34.95 32.07 2kfp s ARG 58 CO 0.10 -0.07 -0.00 0.14 0.02 0.00 0.00 175.30 175.49 2kfp s VAL 59 N -0.35 0.71 -0.06 3.52 -7.23 -1.11 -4.89 120.40 110.99 2kfp s VAL 59 Ca 0.51 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 58.53 2kfp s VAL 59 Cb -0.34 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2kfp s VAL 59 CO 0.39 -0.48 0.47 -1.81 -0.31 0.00 0.00 175.10 173.36 2kfp s ASP 60 N -3.18 6.77 0.08 4.85 1.01 -1.26 -2.67 116.67 122.27 2kfp s ASP 60 Ca 0.24 0.91 0.01 0.00 0.71 0.00 0.00 52.55 54.42 2kfp s ASP 60 Cb 0.06 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2kfp s ASP 60 CO 0.04 0.14 -0.06 0.68 0.21 0.00 0.00 175.17 176.18 2kfp s VAL 61 N -0.12 0.54 0.03 -1.27 -7.23 -1.04 -1.10 120.40 110.22 2kfp s VAL 61 Ca 0.26 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2kfp s VAL 61 Cb -0.16 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 2kfp s VAL 61 CO 0.12 -0.86 -0.08 0.27 -0.31 0.00 0.00 175.10 174.24 2kfp s ILE 62 N -3.46 0.60 -0.06 -0.62 -4.36 -0.59 -2.68 121.20 110.02 2kfp s ILE 62 Ca 0.08 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.64 2kfp s ILE 62 Cb 0.04 -0.61 -0.03 0.00 1.25 0.00 0.00 42.46 43.12 2kfp s ILE 62 CO -0.06 -0.19 -0.07 -1.81 0.24 0.00 0.00 174.94 173.05 2kfp s ASP 63 N -1.13 4.62 0.16 4.36 1.01 -1.07 -1.04 116.67 123.58 2kfp s ASP 63 Ca -0.05 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.19 2kfp s ASP 63 Cb -0.08 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.66 2kfp s ASP 63 CO 0.00 0.36 0.01 -1.48 0.21 0.00 0.00 175.17 174.27 2kfp s LEU 64 N -0.83 2.07 -0.15 1.23 0.05 -1.08 -3.81 118.68 116.15 2kfp s LEU 64 Ca 0.13 -1.17 -0.05 0.00 0.05 0.00 0.00 54.13 53.08 2kfp s LEU 64 Cb -0.11 0.04 -0.04 0.00 -2.05 0.00 0.00 46.19 44.03 2kfp s LEU 64 CO 0.02 -0.60 0.02 -1.59 -0.55 0.00 0.00 176.35 173.64 2kfp s LYS 65 N -3.94 3.69 0.13 1.48 0.00 -1.26 -2.19 119.74 117.65 2kfp s LYS 65 Ca 0.23 -0.40 0.01 0.00 0.00 0.00 0.00 55.97 55.81 2kfp s LYS 65 Cb 0.06 -3.04 -0.04 0.00 0.00 0.00 0.00 37.83 34.81 2kfp s LYS 65 CO 0.03 0.36 -0.02 0.14 0.00 0.00 0.00 175.35 175.86 2kfp s VAL 66 N 0.09 0.57 0.17 1.79 -7.23 -0.88 -4.39 120.40 110.52 2kfp s VAL 66 Ca 0.03 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 2kfp s VAL 66 Cb -0.13 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 34.81 2kfp s VAL 66 CO 0.01 -0.64 1.23 -1.58 -0.31 0.00 0.00 175.10 173.82 2kfp s GLN 67 N -3.91 4.45 0.38 4.82 0.74 -1.26 -4.67 119.66 120.21 2kfp s GLN 67 Ca 0.19 1.91 0.20 0.00 0.05 0.00 0.00 55.36 57.71 2kfp s GLN 67 Cb 0.06 -3.24 1.19 0.00 1.10 0.00 0.00 33.01 32.12 2kfp s GLN 67 CO -0.00 -0.17 1.67 -1.35 -0.55 0.00 0.00 175.29 174.89 2kfp h PRO 68 N 5.57 0.26 -0.05 1.67 0.11 -1.94 0.45 132.00 138.06 2kfp h PRO 68 Ca -0.44 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 2kfp h PRO 68 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2kfp h PRO 68 CO 0.77 0.17 -0.63 0.93 -0.21 0.00 0.00 178.00 179.02 2kfp h GLU 69 N 0.26 0.19 -0.24 1.05 5.08 -1.95 -2.99 114.58 115.98 2kfp h GLU 69 Ca 0.74 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 2kfp h GLU 69 Cb 1.91 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2kfp h GLU 69 CO -0.50 0.76 0.00 1.28 -1.00 0.00 0.00 179.01 179.55 2kfp n LEU 70 N -3.84 2.12 0.26 1.33 4.77 0.14 -4.07 117.00 117.71 2kfp n LEU 70 Ca -0.02 -0.91 0.10 0.00 -0.03 0.00 0.00 56.01 55.15 2kfp n LEU 70 Cb 0.64 -0.15 0.69 0.00 -2.33 0.00 0.00 43.42 42.26 2kfp n LEU 70 CO 0.44 0.45 1.03 1.62 -1.33 0.00 0.00 177.39 179.61 2kfp h VAL 71 N 2.75 0.86 -0.96 4.08 3.04 -1.02 -1.78 116.25 123.22 2kfp h VAL 71 Ca 0.00 -0.22 0.04 0.00 -1.01 0.00 0.00 66.70 65.51 2kfp h VAL 71 Cb 0.60 1.13 -0.06 0.00 -2.01 0.00 0.00 31.29 30.95 2kfp h VAL 71 CO 0.00 0.06 0.63 1.23 -1.01 0.00 0.00 177.57 178.48 2kfp h GLY 72 N 0.23 1.41 0.96 3.17 0.00 -1.80 -1.27 103.07 105.77 2kfp h GLY 72 Ca -0.00 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.87 2kfp h GLY 72 CO 0.01 0.39 0.59 1.48 0.00 0.00 0.00 176.54 179.01 2kfp h SER 73 N 1.20 1.01 -0.22 0.19 4.64 -1.63 0.77 113.55 119.50 2kfp h SER 73 Ca 0.39 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.61 2kfp h SER 73 Cb 0.04 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2kfp h SER 73 CO -0.13 0.72 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.33 2kfp h LEU 74 N 1.19 0.52 0.05 5.97 -0.00 -1.33 -2.98 115.31 118.72 2kfp h LEU 74 Ca 0.34 -0.44 -0.27 0.00 -0.00 0.00 0.00 57.88 57.51 2kfp h LEU 74 Cb -0.09 -0.15 0.01 0.00 -0.00 0.00 0.00 40.66 40.44 2kfp h LEU 74 CO -0.09 0.85 -1.18 0.03 -0.00 0.00 0.00 178.44 178.05 2kfp h ARG 75 N 0.20 0.43 0.00 1.13 3.08 -0.99 -3.14 114.38 115.08 2kfp h ARG 75 Ca 0.04 -0.60 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2kfp h ARG 75 Cb 0.67 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2kfp h ARG 75 CO 0.04 1.25 0.00 0.36 -1.07 0.00 0.00 179.97 180.55 2kfp n LYS 76 N -3.68 0.54 -3.68 0.04 -0.00 0.26 -4.69 118.16 106.95 2kfp n LYS 76 Ca -0.10 0.03 -0.38 0.00 -0.00 0.00 0.00 58.31 57.86 2kfp n LYS 76 Cb 0.97 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 34.44 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 -2.17 3.69 0.39 -1.58 -0.14 -1.13 -5.03 119.74 113.77 2kfp s LYS 77 Ca 0.27 0.15 -0.26 0.00 -1.36 0.00 0.00 55.97 54.78 2kfp s LYS 77 Cb 0.14 -3.21 -0.09 0.00 -1.68 0.00 0.00 37.83 33.00 2kfp s LYS 77 CO 0.26 0.73 1.16 -1.25 -0.76 0.00 0.00 175.35 175.49 2kfp s PRO 78 N -1.06 4.13 0.00 -1.68 0.04 -1.26 -3.21 135.00 131.96 2kfp s PRO 78 Ca 0.20 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2kfp s PRO 78 Cb -0.14 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2kfp s PRO 78 CO 0.09 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.28 2kfp n GLY 79 N 0.66 2.76 3.70 0.56 0.00 -1.26 -4.59 105.19 107.02 2kfp n GLY 79 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.26 5.21 -0.10 -0.61 1.09 -1.20 -2.27 121.20 121.07 2kfp s ILE 80 Ca 0.00 0.75 0.01 0.00 -1.10 0.00 0.00 60.65 60.32 2kfp s ILE 80 Cb 0.00 -3.74 -0.02 0.00 -1.06 0.00 0.00 42.46 37.64 2kfp s ILE 80 CO 0.00 0.29 -0.14 -0.31 -0.10 0.00 0.00 174.94 174.68 2kfp s TYR 81 N 0.98 2.76 0.59 3.97 1.51 -0.54 -4.85 117.35 121.77 2kfp s TYR 81 Ca 0.21 -0.48 -0.19 0.00 -1.01 0.00 0.00 57.07 55.59 2kfp s TYR 81 Cb -0.14 -1.76 -0.06 0.00 -0.11 0.00 0.00 41.96 39.89 2kfp s TYR 81 CO 0.08 -0.08 0.92 -2.30 -1.11 0.00 0.00 175.55 173.06 2kfp n PRO 82 N 3.09 0.89 -1.82 -1.71 -0.02 -1.26 -2.48 135.00 131.68 2kfp n PRO 82 Ca -0.18 0.34 -0.40 0.00 -2.02 0.00 0.00 63.50 61.25 2kfp n PRO 82 Cb 0.53 -2.11 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 2kfp n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kfp s ALA 83 N -1.52 3.17 -0.48 3.55 0.00 -1.26 -4.56 121.76 120.65 2kfp s ALA 83 Ca 0.74 1.42 0.07 0.00 0.00 0.00 0.00 51.96 54.19 2kfp s ALA 83 Cb -0.43 -3.57 0.50 0.00 0.00 0.00 0.00 23.12 19.61 2kfp s ALA 83 CO 0.48 -1.18 1.34 2.48 0.00 0.00 0.00 175.76 178.88 2kfp n TYR 84 N -0.30 1.43 -4.01 0.00 4.11 -1.26 -4.89 117.16 112.23 2kfp n TYR 84 Ca 0.06 -0.63 -0.10 0.00 -0.00 0.00 0.00 57.90 57.23 2kfp n TYR 84 Cb 0.43 -0.43 -0.07 0.00 -0.00 0.00 0.00 39.34 39.27 2kfp n TYR 84 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.86 173.48 2kfp s HIS 85 N -2.10 0.51 0.92 -3.48 -3.43 -1.26 -5.15 115.29 101.30 2kfp s HIS 85 Ca 0.34 -0.85 -0.18 0.00 -0.80 0.00 0.00 55.06 53.58 2kfp s HIS 85 Cb 0.27 -0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 2kfp s HIS 85 CO 0.09 -0.81 -0.66 -1.33 -2.00 0.00 0.00 174.74 170.03 2kfp n MET 86 N -0.29 -0.65 -2.94 -0.38 2.81 -1.26 -3.40 117.12 111.01 2kfp n MET 86 Ca -0.04 -0.19 -0.22 0.00 -1.81 0.00 0.00 57.70 55.45 2kfp n MET 86 Cb 0.63 -1.20 0.02 0.00 -0.71 0.00 0.00 33.22 31.96 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 1.72 -5.63 -0.21 7.83 3.02 -1.26 -4.87 115.26 115.87 2kfp n ASN 87 Ca 0.00 -0.23 -0.07 0.00 -0.03 0.00 0.00 54.58 54.25 2kfp n ASN 87 Cb 0.51 -4.59 0.03 0.00 -0.61 0.00 0.00 39.78 35.12 2kfp n ASN 87 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2kfp h LYS 88 N -1.04 0.86 -0.34 3.52 3.64 -1.73 0.21 116.57 121.68 2kfp h LYS 88 Ca -0.50 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 58.69 2kfp h LYS 88 Cb 1.35 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2kfp h LYS 88 CO 0.56 0.71 0.01 0.93 -2.27 0.00 0.00 179.45 179.38 2kfp h GLU 89 N 0.80 0.60 -0.15 1.90 5.08 -1.92 -3.21 114.58 117.69 2kfp h GLU 89 Ca 0.20 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2kfp h GLU 89 Cb 0.15 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2kfp h GLU 89 CO -0.02 0.71 -0.09 0.45 -1.00 0.00 0.00 179.01 179.06 2kfp h HIS 90 N 0.41 0.38 -3.90 4.33 3.86 -1.78 -3.41 115.15 115.04 2kfp h HIS 90 Ca 0.10 -0.10 -0.68 0.00 -1.16 0.00 0.00 60.37 58.53 2kfp h HIS 90 Cb 0.44 -0.09 -0.21 0.00 1.06 0.00 0.00 27.41 28.61 2kfp h HIS 90 CO 0.03 0.67 -0.80 -1.58 0.86 0.00 0.00 177.93 177.12 2kfp s TRP 91 N -4.49 2.58 0.09 2.45 0.51 0.72 -2.06 118.94 118.74 2kfp s TRP 91 Ca -0.14 -0.24 0.05 0.00 -2.12 0.00 0.00 56.10 53.65 2kfp s TRP 91 Cb 0.05 -1.46 -0.03 0.00 -0.81 0.00 0.00 33.47 31.22 2kfp s TRP 91 CO 0.74 0.28 -0.14 0.42 -0.51 0.00 0.00 176.95 177.75 2kfp s ILE 92 N -0.96 1.16 -0.15 2.03 -1.09 -0.93 -4.25 121.20 117.00 2kfp s ILE 92 Ca 0.15 -1.49 -0.07 0.00 -2.23 0.00 0.00 60.65 57.01 2kfp s ILE 92 Cb -0.11 -1.26 -0.04 0.00 -1.58 0.00 0.00 42.46 39.47 2kfp s ILE 92 CO 0.06 -0.34 0.10 -0.89 -1.23 0.00 0.00 174.94 172.64 2kfp s THR 93 N -1.73 5.14 -0.05 2.92 2.01 -1.04 -2.63 115.64 120.26 2kfp s THR 93 Ca 0.03 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.17 2kfp s THR 93 Cb -0.07 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 2kfp s THR 93 CO 0.02 0.54 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.56 2kfp s VAL 94 N -0.38 2.16 -0.33 3.82 1.01 -0.21 -1.46 120.40 125.01 2kfp s VAL 94 Ca 0.10 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.84 2kfp s VAL 94 Cb -0.12 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 2kfp s VAL 94 CO 0.02 0.57 0.63 -0.22 0.00 0.00 0.00 175.10 176.09 2kfp s LEU 95 N -0.28 4.19 0.18 3.92 2.96 -0.96 -1.54 118.68 127.15 2kfp s LEU 95 Ca -0.00 0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 54.12 2kfp s LEU 95 Cb -0.13 -2.79 0.07 0.00 0.50 0.00 0.00 46.19 43.84 2kfp s LEU 95 CO 0.03 -0.52 1.65 -0.07 -1.32 0.00 0.00 176.35 176.11 2kfp h LEU 96 N 9.24 1.05 0.00 -0.68 3.38 -1.44 -0.92 115.31 125.94 2kfp h LEU 96 Ca -0.27 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2kfp h LEU 96 Cb 1.12 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2kfp h LEU 96 CO 0.81 1.08 0.00 0.59 0.09 0.00 0.00 178.44 181.02 2kfp n ASN 97 N -4.20 0.00 -4.46 -0.43 3.02 -1.25 -1.42 115.26 106.52 2kfp n ASN 97 Ca 0.03 -0.83 -0.31 0.00 -0.03 0.00 0.00 54.58 53.44 2kfp n ASN 97 Cb 0.33 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.19 -1.72 0.00 7.41 0.00 -0.35 -4.88 105.19 105.84 2kfp n GLY 98 Ca 0.09 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.44 0.13 -1.62 1.61 -0.04 -1.26 -4.67 135.00 125.71 2kfp n PRO 99 Ca 0.05 0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 2kfp n PRO 99 Cb 0.55 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2kfp n PRO 99 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2kfp s LEU 100 N -2.85 2.91 0.71 1.53 0.05 -1.26 -5.04 118.68 114.73 2kfp s LEU 100 Ca 0.16 1.43 -0.11 0.00 0.05 0.00 0.00 54.13 55.66 2kfp s LEU 100 Cb 0.16 -4.21 0.02 0.00 -2.05 0.00 0.00 46.19 40.11 2kfp s LEU 100 CO 0.42 -1.59 1.08 -0.83 -0.55 0.00 0.00 176.35 174.89 2kfp s GLY 101 N -3.93 1.63 0.32 -3.48 0.00 -1.26 -4.74 107.32 95.86 2kfp s GLY 101 Ca 0.59 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.09 2kfp s GLY 101 CO 0.54 0.12 1.87 0.00 0.00 0.00 0.00 173.10 175.63 2kfp h ALA 102 N -0.70 1.34 -0.84 3.20 0.00 -1.97 -2.25 119.26 118.05 2kfp h ALA 102 Ca -0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2kfp h ALA 102 Cb 1.24 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2kfp h ALA 102 CO 0.62 0.47 0.42 0.87 0.00 0.00 0.00 179.25 181.62 2kfp h LYS 103 N 0.64 1.19 -0.67 0.00 1.57 -1.99 -1.26 116.57 116.05 2kfp h LYS 103 Ca 0.14 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2kfp h LYS 103 Cb 0.27 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2kfp h LYS 103 CO 0.00 0.90 0.32 0.93 -0.57 0.00 0.00 179.45 181.03 2kfp h GLU 104 N 1.19 0.97 -0.44 3.15 4.39 -1.78 0.15 114.58 122.21 2kfp h GLU 104 Ca 0.29 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 2kfp h GLU 104 Cb 0.09 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2kfp h GLU 104 CO -0.04 0.78 0.11 0.82 -1.16 0.00 0.00 179.01 179.51 2kfp h ILE 105 N 0.93 1.23 -0.53 3.13 2.04 -1.20 -2.41 117.51 120.70 2kfp h ILE 105 Ca 0.23 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 2kfp h ILE 105 Cb 0.13 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2kfp h ILE 105 CO -0.03 0.29 -0.03 0.45 0.00 0.00 0.00 178.15 178.83 2kfp h HIS 106 N 0.58 1.01 -0.56 1.37 3.86 -0.88 -2.36 115.15 118.17 2kfp h HIS 106 Ca 0.14 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2kfp h HIS 106 Cb 0.32 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 2kfp h HIS 106 CO 0.02 0.92 0.36 0.77 0.86 0.00 0.00 177.93 180.86 2kfp h SER 107 N 0.85 0.61 -0.58 2.45 0.02 -0.45 0.20 113.55 116.65 2kfp h SER 107 Ca 0.15 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 2kfp h SER 107 Cb 0.54 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2kfp h SER 107 CO 0.03 0.43 0.16 -0.07 -1.14 0.00 0.00 176.83 176.24 2kfp h LEU 108 N 0.73 0.86 -0.51 5.07 3.38 -1.25 -2.56 115.31 121.04 2kfp h LEU 108 Ca 0.21 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2kfp h LEU 108 Cb -0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2kfp h LEU 108 CO -0.07 0.86 0.12 0.40 0.09 0.00 0.00 178.44 179.84 2kfp h ILE 109 N 0.82 1.24 -0.96 1.22 2.04 -0.89 -2.36 117.51 118.62 2kfp h ILE 109 Ca 0.18 -0.85 0.15 0.00 1.00 0.00 0.00 64.86 65.33 2kfp h ILE 109 Cb 0.32 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 2kfp h ILE 109 CO -0.00 0.31 0.58 -0.08 0.00 0.00 0.00 178.15 178.96 2kfp h GLU 110 N 0.70 0.82 -0.76 2.37 4.81 -0.33 0.26 114.58 122.45 2kfp h GLU 110 Ca 0.16 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2kfp h GLU 110 Cb 0.34 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2kfp h GLU 110 CO 0.00 0.54 0.34 -0.44 -0.73 0.00 0.00 179.01 178.72 2kfp h ASP 111 N 0.84 1.02 -0.89 1.04 3.32 -1.04 -2.12 116.42 118.60 2kfp h ASP 111 Ca 0.51 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.42 2kfp h ASP 111 Cb 0.65 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 2kfp h ASP 111 CO -0.32 0.89 0.58 0.28 -1.72 0.00 0.00 179.24 178.94 2kfp h SER 112 N 1.08 1.03 -0.60 6.45 0.02 -0.13 -2.22 113.55 119.18 2kfp h SER 112 Ca 0.26 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2kfp h SER 112 Cb 0.16 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2kfp h SER 112 CO -0.03 0.76 0.34 0.15 -1.14 0.00 0.00 176.83 176.91 2kfp h PHE 113 N 1.21 0.81 -1.01 3.45 3.57 -0.54 -2.38 116.94 122.05 2kfp h PHE 113 Ca 0.32 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.07 2kfp h PHE 113 Cb -0.12 -0.26 -0.13 0.00 2.79 0.00 0.00 35.95 38.23 2kfp h PHE 113 CO 0.00 0.58 0.60 1.96 -2.23 0.00 0.00 178.31 179.22 2kfp h GLN 114 N 0.81 0.50 -0.64 1.11 4.20 -0.99 0.55 115.11 120.65 2kfp h GLN 114 Ca 0.21 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 2kfp h GLN 114 Cb 0.03 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2kfp h GLN 114 CO -0.04 0.33 0.10 -0.07 -0.67 0.00 0.00 178.83 178.48 2kfp h LEU 115 N 0.51 1.00 -1.49 1.46 4.07 -1.44 -2.03 115.31 117.39 2kfp h LEU 115 Ca 0.66 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 58.39 2kfp h LEU 115 Cb 1.35 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.83 2kfp h LEU 115 CO -0.48 1.00 0.00 0.35 -1.08 0.00 0.00 178.44 178.23 2kfp n THR 116 N -4.22 0.53 -1.59 0.22 -2.24 0.15 -4.95 114.28 102.19 2kfp n THR 116 Ca 0.04 -0.54 -0.47 0.00 -2.27 0.00 0.00 64.05 60.82 2kfp n THR 116 Cb 0.29 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.69 1.31 0.00 -0.78 3.00 0.89 -4.97 116.66 116.79 2kfp n ARG 117 Ca 0.14 0.46 0.00 0.00 -0.00 0.00 0.00 57.85 58.45 2kfp n ARG 117 Cb 0.35 -1.92 0.00 0.00 0.00 0.00 0.00 32.46 30.88 2kfp n ARG 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2kfp n LEU 118 N 1.73 0.00 0.00 6.15 4.77 -1.26 -4.95 117.00 123.44 2kfp n LEU 118 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2kfp n LEU 118 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2kfp n LEU 118 CO 0.61 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.83 2kfp n GLU 119 N 0.00 0.00 -3.91 3.23 0.28 -1.26 -4.93 120.64 114.04 2kfp n GLU 119 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 2kfp n GLU 119 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 2kfp n GLU 119 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2kfp s HIS 120 N 0.00 0.05 0.20 -1.84 5.65 -1.26 -5.19 115.29 112.90 2kfp s HIS 120 Ca 0.00 -0.48 -0.10 0.00 0.25 0.00 0.00 55.06 54.73 2kfp s HIS 120 Cb 0.00 0.51 -0.01 0.00 -1.18 0.00 0.00 32.58 31.90 2kfp s HIS 120 CO 0.00 -1.16 0.34 -3.38 -0.65 0.00 0.00 174.74 169.89 2kfp s HIS 121 N -3.86 0.44 0.36 3.88 -3.43 -1.26 -5.14 115.29 106.27 2kfp s HIS 121 Ca 0.16 -0.78 -0.27 0.00 -0.80 0.00 0.00 55.06 53.36 2kfp s HIS 121 Cb -0.04 -0.01 -0.09 0.00 -1.43 0.00 0.00 32.58 31.01 2kfp s HIS 121 CO 0.08 -0.81 1.20 -1.01 -2.00 0.00 0.00 174.74 172.21 2kfp s HIS 122 N -4.00 3.14 0.49 0.38 3.76 -1.26 -5.03 115.29 112.77 2kfp s HIS 122 Ca 0.21 1.53 -0.02 0.00 -0.15 0.00 0.00 55.06 56.63 2kfp s HIS 122 Cb 0.02 -3.47 -0.00 0.00 1.11 0.00 0.00 32.58 30.24 2kfp s HIS 122 CO 0.04 -1.39 0.74 -3.38 -0.85 0.00 0.00 174.74 169.91 2kfp s HIS 123 N -1.28 3.26 0.04 1.40 -3.43 -1.26 -5.10 115.29 108.91 2kfp s HIS 123 Ca 0.52 0.39 0.05 0.00 -0.80 0.00 0.00 55.06 55.23 2kfp s HIS 123 Cb -0.34 -2.43 -0.03 0.00 -1.43 0.00 0.00 32.58 28.35 2kfp s HIS 123 CO 0.44 -0.48 -0.12 -1.01 -2.00 0.00 0.00 174.74 171.57 2kfp s HIS 124 N -2.69 2.73 0.00 0.38 3.76 -1.26 -5.37 115.29 112.85 2kfp s HIS 124 Ca 0.50 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.26 2kfp s HIS 124 Cb -0.10 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.07 2kfp s HIS 124 CO 0.40 0.33 0.00 -2.39 -0.85 0.00 0.00 174.74 172.24