#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfp s ASN 2 N 0.00 5.68 0.17 6.12 2.47 -1.26 -4.82 114.94 123.30 2kfp s ASN 2 Ca 0.00 0.18 -0.12 0.00 0.42 0.00 0.00 52.86 53.34 2kfp s ASN 2 Cb 0.00 -1.33 0.07 0.00 -1.45 0.00 0.00 41.25 38.54 2kfp s ASN 2 CO 0.00 -0.82 1.73 -0.09 -3.72 0.00 0.00 177.10 174.20 2kfp h ARG 3 N 0.32 0.87 -0.63 0.43 2.43 -1.98 -1.92 114.38 113.91 2kfp h ARG 3 Ca -0.45 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 58.48 2kfp h ARG 3 Cb 1.26 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2kfp h ARG 3 CO 0.56 0.75 0.06 0.37 -1.51 0.00 0.00 179.97 180.19 2kfp h GLN 4 N 0.81 1.05 -0.66 0.20 5.75 -2.00 -2.62 115.11 117.64 2kfp h GLN 4 Ca 0.19 -0.30 -0.06 0.00 -0.15 0.00 0.00 58.65 58.34 2kfp h GLN 4 Cb 0.20 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 2kfp h GLN 4 CO -0.02 0.99 0.18 1.96 -2.65 0.00 0.00 178.83 179.30 2kfp h GLN 5 N 0.98 1.03 -0.43 1.69 1.08 -1.89 -1.54 115.11 116.03 2kfp h GLN 5 Ca 0.19 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2kfp h GLN 5 Cb 0.48 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 2kfp h GLN 5 CO 0.02 0.90 0.26 0.35 -0.95 0.00 0.00 178.83 179.41 2kfp h PHE 6 N 0.98 0.56 -0.49 2.96 3.57 -1.05 0.12 116.94 123.60 2kfp h PHE 6 Ca 0.21 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2kfp h PHE 6 Cb 0.32 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2kfp h PHE 6 CO 0.02 0.39 0.18 0.82 -2.23 0.00 0.00 178.31 177.49 2kfp h ILE 7 N 0.57 1.22 -0.63 1.41 2.04 -1.16 -1.61 117.51 119.35 2kfp h ILE 7 Ca 0.15 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 2kfp h ILE 7 Cb -0.01 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2kfp h ILE 7 CO -0.03 0.26 0.19 -0.78 0.00 0.00 0.00 178.15 177.79 2kfp h ASP 8 N 0.65 0.92 -0.64 1.72 1.82 -0.94 -2.45 116.42 117.51 2kfp h ASP 8 Ca 0.16 -0.21 -0.02 0.00 -0.39 0.00 0.00 57.03 56.57 2kfp h ASP 8 Cb 0.23 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 39.97 2kfp h ASP 8 CO -0.01 0.89 0.32 0.22 -1.61 0.00 0.00 179.24 179.05 2kfp h TYR 9 N 0.90 0.91 -0.70 0.28 3.20 -0.52 -2.37 116.97 118.67 2kfp h TYR 9 Ca 0.20 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2kfp h TYR 9 Cb 0.31 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 2kfp h TYR 9 CO 0.02 0.68 0.40 0.00 -1.64 0.00 0.00 178.16 177.62 2kfp h ALA 10 N 1.14 1.39 -0.12 1.82 0.00 -1.03 -1.16 119.26 121.30 2kfp h ALA 10 Ca 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2kfp h ALA 10 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kfp h ALA 10 CO -0.03 0.51 0.05 1.96 0.00 0.00 0.00 179.25 181.74 2kfp h GLN 11 N 0.97 0.19 -0.54 0.00 4.20 -0.96 0.24 115.11 119.21 2kfp h GLN 11 Ca 0.25 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 2kfp h GLN 11 Cb -0.01 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2kfp h GLN 11 CO -0.04 0.30 0.08 0.87 -0.67 0.00 0.00 178.83 179.37 2kfp h LYS 12 N 0.04 0.86 -0.17 1.46 1.57 -1.20 2.29 116.57 121.42 2kfp h LYS 12 Ca 0.04 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2kfp h LYS 12 Cb 0.18 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2kfp h LYS 12 CO -0.00 0.81 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.36 2kfp h LYS 13 N 0.82 0.37 0.00 3.15 1.63 -0.94 -3.40 116.57 118.19 2kfp h LYS 13 Ca 0.17 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kfp h LYS 13 Cb 0.37 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2kfp h LYS 13 CO 0.01 0.70 -0.64 0.66 -3.45 0.00 0.00 179.45 176.72 2kfp n TYR 14 N -4.59 0.00 -3.25 1.91 4.01 0.05 -5.03 117.16 110.26 2kfp n TYR 14 Ca -0.06 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.52 2kfp n TYR 14 Cb 0.33 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.42 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 -0.98 -4.56 -4.67 7.72 -0.08 0.77 -4.99 116.55 109.75 2kfp n ASP 15 Ca 0.00 -0.41 -0.35 0.00 -1.51 0.00 0.00 54.79 52.52 2kfp n ASP 15 Cb 0.01 -3.85 -0.09 0.00 2.34 0.00 0.00 41.12 39.53 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 -3.24 4.73 0.39 5.18 2.01 -1.26 -5.00 115.64 118.45 2kfp s THR 16 Ca 0.34 -0.06 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 2kfp s THR 16 Cb -0.15 -3.09 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 2kfp s THR 16 CO 0.54 0.51 0.82 -0.54 -0.69 0.00 0.00 174.62 175.26 2kfp s LYS 17 N -0.08 4.01 0.63 4.92 1.02 -1.26 -4.71 119.74 124.27 2kfp s LYS 17 Ca 0.06 0.78 -0.16 0.00 0.02 0.00 0.00 55.97 56.67 2kfp s LYS 17 Cb -0.12 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 2kfp s LYS 17 CO 0.01 0.02 1.12 -1.25 -0.92 0.00 0.00 175.35 174.34 2kfp s PRO 18 N -3.32 2.91 -0.01 -1.68 0.04 -1.26 -4.90 135.00 126.78 2kfp s PRO 18 Ca 0.56 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 2kfp s PRO 18 Cb -0.10 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2kfp s PRO 18 CO 0.20 -1.18 0.03 0.34 0.04 0.00 0.00 177.00 176.44 2kfp s ASP 19 N -2.32 -0.02 -0.45 6.66 -1.08 -0.86 -4.92 116.67 113.68 2kfp s ASP 19 Ca 0.69 0.06 0.02 0.00 -0.52 0.00 0.00 52.55 52.80 2kfp s ASP 19 Cb -0.22 0.05 0.15 0.00 -1.46 0.00 0.00 42.92 41.43 2kfp s ASP 19 CO 0.38 -0.02 0.28 -1.38 0.52 0.00 0.00 175.17 174.94 2kfp s HIS 20 N 0.13 1.73 0.33 -5.34 -3.43 -1.26 -0.36 115.29 107.10 2kfp s HIS 20 Ca -0.01 -2.35 0.06 0.00 -0.80 0.00 0.00 55.06 51.97 2kfp s HIS 20 Cb -0.02 -1.60 0.73 0.00 -1.43 0.00 0.00 32.58 30.27 2kfp s HIS 20 CO -0.00 -0.77 1.87 -1.35 -2.00 0.00 0.00 174.74 172.48 2kfp h PRO 21 N 6.43 0.77 -5.05 -0.38 0.11 -1.96 -3.23 132.00 128.69 2kfp h PRO 21 Ca 0.07 -0.05 -0.71 0.00 0.11 0.00 0.00 66.00 65.42 2kfp h PRO 21 Cb 0.91 -0.17 -0.16 0.00 0.11 0.00 0.00 31.00 31.69 2kfp h PRO 21 CO 0.44 0.51 1.43 1.67 -0.21 0.00 0.00 178.00 181.84 2kfp s TRP 22 N -5.76 3.27 -0.12 0.65 -2.14 -1.26 -4.78 118.94 108.80 2kfp s TRP 22 Ca -0.10 -1.88 0.15 0.00 2.66 0.00 0.00 56.10 56.93 2kfp s TRP 22 Cb 0.22 -4.41 0.83 0.00 -3.10 0.00 0.00 33.47 27.01 2kfp s TRP 22 CO 0.79 -1.51 1.40 -0.85 -2.66 0.00 0.00 176.95 174.13 2kfp n GLU 23 N 6.41 0.10 0.00 3.25 0.28 -1.22 -0.47 120.64 128.99 2kfp n GLU 23 Ca 0.37 0.58 0.04 0.00 -0.16 0.00 0.00 57.16 57.99 2kfp n GLU 23 Cb 0.45 -2.01 0.23 0.00 1.43 0.00 0.00 31.44 31.54 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 -2.07 0.20 -3.09 3.44 5.02 -1.26 -3.53 118.16 116.87 2kfp n LYS 24 Ca -0.01 0.09 -0.18 0.00 -2.02 0.00 0.00 58.31 56.19 2kfp n LYS 24 Cb 0.20 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.12 -1.89 0.31 2.13 3.72 0.38 -4.96 117.46 116.03 2kfp n PHE 25 Ca 0.05 -2.65 0.20 0.00 -0.05 0.00 0.00 57.45 55.01 2kfp n PHE 25 Cb 0.04 0.62 1.04 0.00 -0.94 0.00 0.00 39.48 40.24 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 4.85 0.00 -0.00 -1.08 0.11 -1.77 -0.10 132.00 134.02 2kfp h PRO 26 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2kfp h PRO 26 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2kfp h PRO 26 CO 0.30 0.00 -0.01 -0.40 -0.21 0.00 0.00 178.00 177.67 2kfp n ASP 27 N -2.96 0.15 -4.86 -2.05 5.75 -1.26 -4.77 116.55 106.55 2kfp n ASP 27 Ca -0.02 -0.70 -0.37 0.00 -0.01 0.00 0.00 54.79 53.70 2kfp n ASP 27 Cb 0.11 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.04 2kfp n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2kfp s TYR 28 N -2.25 3.57 -0.08 2.11 1.51 -0.05 -4.41 117.35 117.75 2kfp s TYR 28 Ca 0.39 0.50 0.02 0.00 -1.01 0.00 0.00 57.07 56.97 2kfp s TYR 28 Cb 0.21 -1.94 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 2kfp s TYR 28 CO 0.41 0.70 -0.14 0.00 -1.11 0.00 0.00 175.55 175.41 2kfp s ALA 29 N -0.95 1.47 -0.18 3.71 0.00 -0.32 -4.65 121.76 120.84 2kfp s ALA 29 Ca 0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 2kfp s ALA 29 Cb -0.12 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 2kfp s ALA 29 CO 0.04 0.05 -0.10 0.08 0.00 0.00 0.00 175.76 175.83 2kfp s VAL 30 N 0.78 3.10 -0.09 0.00 1.01 0.52 -1.40 120.40 124.33 2kfp s VAL 30 Ca -0.12 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2kfp s VAL 30 Cb -0.16 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2kfp s VAL 30 CO 0.02 0.48 -0.09 -0.36 0.00 0.00 0.00 175.10 175.15 2kfp s PHE 31 N 0.95 2.87 -0.23 5.22 0.08 -0.84 -2.02 117.98 124.00 2kfp s PHE 31 Ca -0.02 -0.20 -0.21 0.00 0.12 0.00 0.00 56.93 56.62 2kfp s PHE 31 Cb -0.15 -1.75 0.06 0.00 -0.57 0.00 0.00 43.02 40.61 2kfp s PHE 31 CO -0.00 0.13 0.62 -0.98 -0.10 0.00 0.00 175.22 174.89 2kfp s ARG 32 N -0.38 0.71 -0.22 0.44 1.70 -1.26 -2.30 118.95 117.63 2kfp s ARG 32 Ca 0.05 0.87 -0.10 0.00 -0.47 0.00 0.00 55.73 56.09 2kfp s ARG 32 Cb -0.12 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 2kfp s ARG 32 CO 0.02 -0.09 0.13 -1.01 -1.08 0.00 0.00 175.30 173.27 2kfp s HIS 33 N 0.40 3.31 -0.96 5.89 3.76 -1.25 -4.95 115.29 121.49 2kfp s HIS 33 Ca -0.01 0.18 0.28 0.00 -0.15 0.00 0.00 55.06 55.37 2kfp s HIS 33 Cb -0.04 -2.21 1.13 0.00 1.11 0.00 0.00 32.58 32.56 2kfp s HIS 33 CO -0.00 0.10 1.87 0.43 -0.85 0.00 0.00 174.74 176.29 2kfp n SER 34 N 4.03 0.14 -0.25 1.40 7.64 -1.26 -1.58 113.62 123.74 2kfp n SER 34 Ca -0.16 0.45 -0.07 0.00 1.01 0.00 0.00 58.87 60.11 2kfp n SER 34 Cb 0.52 -0.48 0.04 0.00 -1.01 0.00 0.00 64.21 63.29 2kfp n SER 34 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2kfp h ASP 35 N 0.00 1.01 0.00 6.43 3.32 -2.01 -3.31 116.42 121.86 2kfp h ASP 35 Ca 0.00 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 2kfp h ASP 35 Cb 0.53 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2kfp h ASP 35 CO 0.00 0.95 -1.40 0.59 -1.72 0.00 0.00 179.24 177.66 2kfp n ASN 36 N -4.31 3.29 0.00 6.45 4.13 -1.24 -4.97 115.26 118.61 2kfp n ASN 36 Ca 0.05 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2kfp n ASN 36 Cb 0.22 1.03 0.00 0.00 -1.54 0.00 0.00 39.78 39.50 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 -1.99 0.00 -0.31 6.41 2.03 -0.61 -4.59 116.55 117.48 2kfp n ASP 37 Ca -0.06 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.36 2kfp n ASP 37 Cb 0.44 -1.34 0.05 0.00 -0.72 0.00 0.00 41.12 39.55 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 -2.00 0.81 -2.81 -0.67 5.02 -1.26 -4.84 118.16 112.41 2kfp n LYS 38 Ca 0.00 -0.63 -0.43 0.00 -2.02 0.00 0.00 58.31 55.23 2kfp n LYS 38 Cb 0.00 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 2kfp n LYS 38 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 2kfp s TRP 39 N -2.63 2.91 -0.19 2.13 -0.11 -1.26 -5.01 118.94 114.78 2kfp s TRP 39 Ca 0.17 0.39 -0.04 0.00 1.22 0.00 0.00 56.10 57.83 2kfp s TRP 39 Cb 0.18 -4.01 -0.02 0.00 -1.50 0.00 0.00 33.47 28.12 2kfp s TRP 39 CO 0.64 -1.12 -0.02 -0.47 -4.62 0.00 0.00 176.95 171.35 2kfp s TYR 40 N 3.81 3.01 -0.01 5.86 5.04 -1.26 -3.87 117.35 129.93 2kfp s TYR 40 Ca 0.38 -0.47 0.00 0.00 -2.44 0.00 0.00 57.07 54.54 2kfp s TYR 40 Cb -0.10 -2.04 0.01 0.00 0.35 0.00 0.00 41.96 40.18 2kfp s TYR 40 CO 0.27 -0.21 -0.01 0.00 -1.34 0.00 0.00 175.55 174.26 2kfp s ALA 41 N 0.84 0.15 -0.10 3.97 0.00 -0.98 -4.73 121.76 120.92 2kfp s ALA 41 Ca -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 2kfp s ALA 41 Cb -0.14 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 22.91 2kfp s ALA 41 CO 0.02 -0.01 0.21 -1.17 0.00 0.00 0.00 175.76 174.81 2kfp s LEU 42 N 0.32 0.03 -0.14 0.00 2.96 -1.26 -1.98 118.68 118.60 2kfp s LEU 42 Ca -0.03 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 2kfp s LEU 42 Cb -0.05 0.51 0.01 0.00 0.50 0.00 0.00 46.19 47.16 2kfp s LEU 42 CO -0.01 -0.22 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.37 2kfp s LEU 43 N 2.02 2.09 0.16 -0.68 0.20 -0.49 -2.11 118.68 119.87 2kfp s LEU 43 Ca -0.01 -0.60 -0.24 0.00 0.69 0.00 0.00 54.13 53.97 2kfp s LEU 43 Cb -0.12 -1.43 0.06 0.00 -0.43 0.00 0.00 46.19 44.27 2kfp s LEU 43 CO -0.07 0.07 0.76 0.00 -0.29 0.00 0.00 176.35 176.82 2kfp s MET 44 N 0.87 1.32 -0.36 1.98 0.23 -1.12 -1.18 119.30 121.04 2kfp s MET 44 Ca -0.06 -0.62 -0.16 0.00 -1.03 0.00 0.00 55.69 53.82 2kfp s MET 44 Cb -0.15 0.52 -0.00 0.00 -1.53 0.00 0.00 34.83 33.66 2kfp s MET 44 CO -0.03 -0.59 0.41 -0.51 -2.03 0.00 0.00 175.02 172.26 2kfp s ASP 45 N -2.78 6.21 0.04 -1.18 1.01 -1.26 -2.65 116.67 116.05 2kfp s ASP 45 Ca 0.07 -0.29 0.07 0.00 0.71 0.00 0.00 52.55 53.11 2kfp s ASP 45 Cb -0.02 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 2kfp s ASP 45 CO -0.04 -0.42 -0.20 0.27 0.21 0.00 0.00 175.17 175.00 2kfp s ILE 46 N 2.11 2.68 0.32 0.77 -4.36 -0.95 -4.86 121.20 116.91 2kfp s ILE 46 Ca 0.13 -1.22 -0.27 0.00 -0.26 0.00 0.00 60.65 59.03 2kfp s ILE 46 Cb -0.16 -2.11 -0.14 0.00 1.25 0.00 0.00 42.46 41.30 2kfp s ILE 46 CO 0.12 0.34 0.89 -2.65 0.24 0.00 0.00 174.94 173.89 2kfp n PRO 47 N 1.59 1.09 0.31 0.37 -0.02 -1.26 -2.33 135.00 134.76 2kfp n PRO 47 Ca -0.16 0.39 0.20 0.00 -2.02 0.00 0.00 63.50 61.90 2kfp n PRO 47 Cb 0.52 -1.73 1.01 0.00 -0.02 0.00 0.00 33.50 33.28 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 1.64 1.08 0.00 3.55 0.00 -1.24 -0.81 119.26 123.49 2kfp h ALA 48 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kfp h ALA 48 Cb 1.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2kfp h ALA 48 CO 0.58 0.02 0.00 -0.85 0.00 0.00 0.00 179.25 179.00 2kfp n GLU 49 N -3.22 0.21 0.01 0.00 0.28 -0.41 -2.75 120.64 114.76 2kfp n GLU 49 Ca -0.02 0.24 0.13 0.00 -0.16 0.00 0.00 57.16 57.35 2kfp n GLU 49 Cb 0.15 -1.77 0.43 0.00 1.43 0.00 0.00 31.44 31.68 2kfp n GLU 49 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kfp n LYS 50 N -2.14 0.05 -0.06 3.44 4.76 -0.31 -3.34 118.16 120.57 2kfp n LYS 50 Ca 0.05 0.03 0.10 0.00 -2.87 0.00 0.00 58.31 55.62 2kfp n LYS 50 Cb 0.36 -1.54 0.12 0.00 -1.84 0.00 0.00 35.03 32.13 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 -1.62 0.17 0.00 -0.18 -5.35 -1.14 -4.94 119.36 106.31 2kfp n ILE 51 Ca 0.06 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 2kfp n ILE 51 Cb 0.35 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 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 1.17 1.54 3.71 3.28 0.00 -1.21 -4.94 105.19 108.74 2kfp n GLY 52 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.43 4.62 -1.56 -0.61 1.01 -1.11 -4.87 121.20 116.26 2kfp s ILE 53 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 60.65 62.56 2kfp s ILE 53 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2kfp s ILE 53 CO 0.00 0.17 0.13 -3.20 0.00 0.00 0.00 174.94 172.03 2kfp n ASN 54 N 3.77 0.07 -4.79 3.58 5.15 -1.26 -3.49 115.26 118.28 2kfp n ASN 54 Ca 0.06 -0.33 -0.39 0.00 -0.60 0.00 0.00 54.58 53.33 2kfp n ASN 54 Cb 0.50 -0.04 -0.06 0.00 -0.53 0.00 0.00 39.78 39.65 2kfp n ASN 54 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2kfp s GLY 55 N -1.40 2.79 0.00 8.20 0.00 -1.26 -4.94 107.32 110.71 2kfp s GLY 55 Ca 0.00 0.22 0.22 0.00 0.00 0.00 0.00 44.72 45.16 2kfp s GLY 55 CO 0.00 0.67 1.39 1.22 0.00 0.00 0.00 173.10 176.38 2kfp n ASP 56 N 1.48 3.45 -4.83 1.64 8.00 -1.26 -1.28 116.55 123.75 2kfp n ASP 56 Ca -0.07 -1.97 -0.36 0.00 0.71 0.00 0.00 54.79 53.10 2kfp n ASP 56 Cb 0.50 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 2kfp n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2kfp s LYS 57 N -1.37 4.09 0.43 -1.24 2.20 -1.26 -4.60 119.74 117.98 2kfp s LYS 57 Ca 0.38 0.64 -0.24 0.00 -0.36 0.00 0.00 55.97 56.39 2kfp s LYS 57 Cb 0.22 -2.91 -0.08 0.00 -1.51 0.00 0.00 37.83 33.55 2kfp s LYS 57 CO 0.30 0.44 1.13 1.03 -0.36 0.00 0.00 175.35 177.89 2kfp s ARG 58 N -1.97 3.95 0.11 4.03 0.52 -1.26 -1.15 118.95 123.18 2kfp s ARG 58 Ca 0.40 1.70 0.03 0.00 -0.52 0.00 0.00 55.73 57.34 2kfp s ARG 58 Cb -0.16 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 2kfp s ARG 58 CO 0.20 -0.37 -0.09 0.14 0.02 0.00 0.00 175.30 175.20 2kfp s VAL 59 N -1.56 0.92 -0.12 3.52 -7.23 -0.98 -4.83 120.40 110.12 2kfp s VAL 59 Ca 0.60 -1.80 -0.16 0.00 -1.81 0.00 0.00 61.98 58.82 2kfp s VAL 59 Cb -0.27 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 2kfp s VAL 59 CO 0.33 -0.68 0.39 -1.81 -0.31 0.00 0.00 175.10 173.02 2kfp s ASP 60 N -2.74 6.60 0.09 4.85 1.01 -1.26 -2.23 116.67 122.99 2kfp s ASP 60 Ca 0.09 0.71 0.02 0.00 0.71 0.00 0.00 52.55 54.09 2kfp s ASP 60 Cb 0.00 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 2kfp s ASP 60 CO -0.01 0.09 -0.08 0.68 0.21 0.00 0.00 175.17 176.06 2kfp s VAL 61 N 0.29 0.75 0.05 -1.27 -7.23 -1.09 -2.11 120.40 109.80 2kfp s VAL 61 Ca 0.22 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 2kfp s VAL 61 Cb -0.14 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 2kfp s VAL 61 CO 0.08 -0.69 -0.09 0.27 -0.31 0.00 0.00 175.10 174.36 2kfp s ILE 62 N -2.88 0.65 0.34 -0.62 -4.36 -1.09 -2.80 121.20 110.44 2kfp s ILE 62 Ca 0.06 -1.11 -0.22 0.00 -0.26 0.00 0.00 60.65 59.12 2kfp s ILE 62 Cb 0.00 -0.69 -0.10 0.00 1.25 0.00 0.00 42.46 42.92 2kfp s ILE 62 CO -0.02 -0.35 0.88 -1.81 0.24 0.00 0.00 174.94 173.88 2kfp s ASP 63 N -1.59 7.11 -0.06 4.36 1.01 -0.90 -2.07 116.67 124.53 2kfp s ASP 63 Ca -0.08 1.66 0.01 0.00 0.71 0.00 0.00 52.55 54.84 2kfp s ASP 63 Cb -0.10 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.34 2kfp s ASP 63 CO 0.01 -0.15 -0.06 -0.22 0.21 0.00 0.00 175.17 174.96 2kfp s LEU 64 N -2.47 1.26 0.02 1.23 1.98 -0.46 -4.67 118.68 115.57 2kfp s LEU 64 Ca 0.53 -0.17 -0.28 0.00 -2.89 0.00 0.00 54.13 51.32 2kfp s LEU 64 Cb -0.15 -0.56 -0.04 0.00 0.66 0.00 0.00 46.19 46.10 2kfp s LEU 64 CO 0.19 -0.07 0.88 -0.75 -1.89 0.00 0.00 176.35 174.72 2kfp s LYS 65 N 1.12 4.55 0.09 1.98 2.20 -1.26 -1.86 119.74 126.57 2kfp s LYS 65 Ca -0.07 1.25 -0.06 0.00 -0.36 0.00 0.00 55.97 56.73 2kfp s LYS 65 Cb -0.14 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 2kfp s LYS 65 CO -0.01 0.08 0.13 0.14 -0.36 0.00 0.00 175.35 175.33 2kfp s VAL 66 N 0.58 0.15 0.49 4.02 -7.23 -1.10 -4.55 120.40 112.76 2kfp s VAL 66 Ca 0.46 -1.46 -0.08 0.00 -1.81 0.00 0.00 61.98 59.09 2kfp s VAL 66 Cb -0.21 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 2kfp s VAL 66 CO 0.25 -0.68 0.83 -1.10 -0.31 0.00 0.00 175.10 174.09 2kfp s GLN 67 N -3.91 3.61 0.66 4.82 -0.21 -1.26 -4.52 119.66 118.85 2kfp s GLN 67 Ca 0.09 0.37 0.44 0.00 0.02 0.00 0.00 55.36 56.28 2kfp s GLN 67 Cb 0.06 -2.32 2.38 0.00 1.00 0.00 0.00 33.01 34.13 2kfp s GLN 67 CO -0.08 -0.23 2.34 -1.00 -2.12 0.00 0.00 175.29 174.20 2kfp h PRO 68 N 0.38 0.00 0.00 2.91 0.13 -1.99 0.91 132.00 134.34 2kfp h PRO 68 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 2kfp h PRO 68 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2kfp h PRO 68 CO 0.62 0.00 -2.01 -0.85 -0.23 0.00 0.00 178.00 175.53 2kfp n GLU 69 N -3.04 0.66 0.00 0.86 0.28 -1.26 -4.10 120.64 114.03 2kfp n GLU 69 Ca -0.03 0.09 0.13 0.00 -0.16 0.00 0.00 57.16 57.19 2kfp n GLU 69 Cb 0.07 -1.64 0.37 0.00 1.43 0.00 0.00 31.44 31.68 2kfp n GLU 69 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kfp n LEU 70 N -2.80 1.50 -0.25 -1.84 4.77 -0.56 -4.12 117.00 113.69 2kfp n LEU 70 Ca -0.22 -0.47 -0.07 0.00 -0.03 0.00 0.00 56.01 55.22 2kfp n LEU 70 Cb 1.02 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 42.10 2kfp n LEU 70 CO 0.44 0.26 0.99 1.62 -1.33 0.00 0.00 177.39 179.37 2kfp h VAL 71 N 2.11 1.25 -0.76 4.08 3.04 -1.02 -2.82 116.25 122.14 2kfp h VAL 71 Ca 0.00 -0.83 -0.04 0.00 -1.01 0.00 0.00 66.70 64.81 2kfp h VAL 71 Cb 0.58 0.49 -0.03 0.00 -2.01 0.00 0.00 31.29 30.31 2kfp h VAL 71 CO 0.00 0.33 0.31 1.23 -1.01 0.00 0.00 177.57 178.43 2kfp h GLY 72 N 1.00 1.21 1.42 3.17 0.00 -1.83 -1.45 103.07 106.60 2kfp h GLY 72 Ca 0.23 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 2kfp h GLY 72 CO -0.01 0.62 0.22 1.76 0.00 0.00 0.00 176.54 179.13 2kfp h SER 73 N 1.09 0.68 0.20 0.19 0.02 -1.74 -1.78 113.55 112.21 2kfp h SER 73 Ca 0.25 -0.08 -0.29 0.00 -0.84 0.00 0.00 61.79 60.83 2kfp h SER 73 Cb 0.20 -0.17 0.03 0.00 0.14 0.00 0.00 62.40 62.59 2kfp h SER 73 CO -0.02 0.61 -1.24 0.25 -1.14 0.00 0.00 176.83 175.29 2kfp h LEU 74 N 0.75 0.81 0.00 5.07 6.46 -1.24 -3.22 115.31 123.93 2kfp h LEU 74 Ca 0.18 -0.75 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 2kfp h LEU 74 Cb 0.13 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 2kfp h LEU 74 CO -0.02 1.56 0.00 0.54 -0.62 0.00 0.00 178.44 179.90 2kfp n ARG 75 N -3.76 0.29 0.03 1.25 1.74 -0.58 -2.71 116.66 112.92 2kfp n ARG 75 Ca -0.13 0.05 0.13 0.00 -0.77 0.00 0.00 57.85 57.14 2kfp n ARG 75 Cb 0.99 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 31.39 2kfp n ARG 75 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2kfp n LYS 76 N -1.33 0.08 -3.41 5.56 -0.00 -0.69 -4.82 118.16 113.56 2kfp n LYS 76 Ca 0.11 0.05 -0.33 0.00 -0.00 0.00 0.00 58.31 58.14 2kfp n LYS 76 Cb 0.22 -1.58 -0.05 0.00 -0.00 0.00 0.00 35.03 33.61 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 -3.04 3.86 0.43 -1.58 1.02 -1.10 -5.05 119.74 114.27 2kfp s LYS 77 Ca 0.12 0.34 -0.24 0.00 0.02 0.00 0.00 55.97 56.21 2kfp s LYS 77 Cb 0.17 -2.76 -0.08 0.00 -0.52 0.00 0.00 37.83 34.64 2kfp s LYS 77 CO 0.59 0.38 1.20 -1.25 -0.92 0.00 0.00 175.35 175.35 2kfp s PRO 78 N -2.49 3.90 0.00 -1.68 0.04 -1.26 -3.12 135.00 130.39 2kfp s PRO 78 Ca 0.43 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2kfp s PRO 78 Cb -0.13 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2kfp s PRO 78 CO 0.20 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.19 2kfp n GLY 79 N 0.58 1.37 3.64 0.56 0.00 -1.26 -4.67 105.19 105.41 2kfp n GLY 79 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.96 5.21 0.05 -0.61 -1.09 -1.18 -2.38 121.20 118.23 2kfp s ILE 80 Ca 0.00 0.57 0.07 0.00 -2.23 0.00 0.00 60.65 59.06 2kfp s ILE 80 Cb 0.00 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2kfp s ILE 80 CO 0.00 0.22 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.42 2kfp s TYR 81 N 1.61 1.82 0.57 3.97 2.02 -0.90 -4.92 117.35 121.53 2kfp s TYR 81 Ca 0.15 -0.38 -0.19 0.00 -0.37 0.00 0.00 57.07 56.28 2kfp s TYR 81 Cb -0.15 -1.07 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 2kfp s TYR 81 CO 0.08 0.11 1.17 -1.25 -1.57 0.00 0.00 175.55 174.09 2kfp s PRO 82 N -1.27 3.14 0.32 -1.71 0.04 -1.26 -1.86 135.00 132.39 2kfp s PRO 82 Ca 0.07 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 2kfp s PRO 82 Cb -0.09 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 2kfp s PRO 82 CO 0.02 -1.05 1.35 0.00 0.04 0.00 0.00 177.00 177.36 2kfp s ALA 83 N -1.68 3.53 -2.69 8.56 0.00 -1.26 -4.51 121.76 123.72 2kfp s ALA 83 Ca 0.75 1.30 0.25 0.00 0.00 0.00 0.00 51.96 54.26 2kfp s ALA 83 Cb -0.27 -3.51 0.58 0.00 0.00 0.00 0.00 23.12 19.92 2kfp s ALA 83 CO 0.30 -0.70 1.48 2.48 0.00 0.00 0.00 175.76 179.33 2kfp n TYR 84 N 1.11 0.08 -3.80 0.00 4.11 -1.26 -4.85 117.16 112.55 2kfp n TYR 84 Ca 0.02 -0.04 -0.09 0.00 -0.00 0.00 0.00 57.90 57.78 2kfp n TYR 84 Cb 0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.69 2kfp n TYR 84 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2kfp s HIS 85 N -1.92 0.06 -0.03 -3.48 3.76 -1.26 -5.06 115.29 107.36 2kfp s HIS 85 Ca 0.33 -0.44 -0.02 0.00 -0.15 0.00 0.00 55.06 54.78 2kfp s HIS 85 Cb 0.20 0.02 0.01 0.00 1.11 0.00 0.00 32.58 33.92 2kfp s HIS 85 CO 0.31 -0.57 0.05 -1.33 -0.85 0.00 0.00 174.74 172.35 2kfp n MET 86 N -0.01 -2.49 -0.04 1.40 2.81 -1.26 -4.75 117.12 112.79 2kfp n MET 86 Ca -0.16 1.90 0.01 0.00 -1.81 0.00 0.00 57.70 57.63 2kfp n MET 86 Cb 0.62 -2.49 -0.00 0.00 -0.71 0.00 0.00 33.22 30.64 2kfp n MET 86 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2kfp n ASN 87 N 2.05 -1.27 0.14 7.83 3.02 -1.26 -4.69 115.26 121.07 2kfp n ASN 87 Ca -0.08 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2kfp n ASN 87 Cb 0.13 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2kfp n ASN 87 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2kfp n LYS 88 N -0.51 0.00 -0.11 3.52 4.81 -1.26 -4.82 118.16 119.79 2kfp n LYS 88 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2kfp n LYS 88 Cb 0.02 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.16 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 0.82 0.21 1.64 5.08 -1.94 -3.27 114.58 117.12 2kfp h GLU 89 Ca 0.00 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2kfp h GLU 89 Cb 0.00 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2kfp h GLU 89 CO 0.00 0.92 -0.14 0.45 -1.00 0.00 0.00 179.01 179.23 2kfp h HIS 90 N 0.73 -0.39 -3.15 4.33 3.86 -1.91 -3.37 115.15 115.26 2kfp h HIS 90 Ca 0.12 -0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.66 2kfp h HIS 90 Cb 0.65 0.14 -0.11 0.00 1.06 0.00 0.00 27.41 29.15 2kfp h HIS 90 CO 0.04 -0.21 -0.59 -1.58 0.86 0.00 0.00 177.93 176.45 2kfp s TRP 91 N -3.84 3.25 0.02 2.45 0.23 -1.23 -2.71 118.94 117.11 2kfp s TRP 91 Ca -0.05 0.20 0.04 0.00 -2.03 0.00 0.00 56.10 54.26 2kfp s TRP 91 Cb 0.01 -1.74 -0.02 0.00 0.03 0.00 0.00 33.47 31.75 2kfp s TRP 91 CO 0.17 0.54 -0.13 0.42 0.96 0.00 0.00 176.95 178.91 2kfp s ILE 92 N -1.14 1.03 -0.05 2.03 -1.09 -0.78 -4.22 121.20 116.99 2kfp s ILE 92 Ca 0.21 -0.85 -0.22 0.00 -2.23 0.00 0.00 60.65 57.56 2kfp s ILE 92 Cb -0.12 -0.92 -0.04 0.00 -1.58 0.00 0.00 42.46 39.80 2kfp s ILE 92 CO 0.12 0.07 0.66 -0.89 -1.23 0.00 0.00 174.94 173.67 2kfp s THR 93 N -0.69 5.02 -0.09 2.92 2.01 -0.78 -1.35 115.64 122.68 2kfp s THR 93 Ca 0.02 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.42 2kfp s THR 93 Cb -0.07 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2kfp s THR 93 CO 0.01 0.30 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.33 2kfp s VAL 94 N 0.54 2.31 -0.62 3.82 1.01 -0.88 -2.11 120.40 124.48 2kfp s VAL 94 Ca 0.35 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 2kfp s VAL 94 Cb -0.18 -1.89 0.06 0.00 0.00 0.00 0.00 36.38 34.38 2kfp s VAL 94 CO 0.17 0.56 0.94 -0.22 0.00 0.00 0.00 175.10 176.55 2kfp s LEU 95 N 0.11 4.33 0.18 3.92 2.96 -1.00 -2.68 118.68 126.49 2kfp s LEU 95 Ca -0.10 -0.80 -0.10 0.00 -0.22 0.00 0.00 54.13 52.91 2kfp s LEU 95 Cb -0.16 -2.54 0.06 0.00 0.50 0.00 0.00 46.19 44.06 2kfp s LEU 95 CO 0.06 -1.35 1.64 -0.07 -1.32 0.00 0.00 176.35 175.31 2kfp h LEU 96 N 11.16 1.03 0.00 -0.68 3.38 -1.76 -1.07 115.31 127.37 2kfp h LEU 96 Ca -0.28 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2kfp h LEU 96 Cb 1.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2kfp h LEU 96 CO 1.14 1.07 0.00 0.59 0.09 0.00 0.00 178.44 181.34 2kfp n ASN 97 N -4.21 0.00 -2.11 -0.43 5.03 -1.25 -4.67 115.26 107.62 2kfp n ASN 97 Ca 0.03 -0.93 0.00 0.00 0.87 0.00 0.00 54.58 54.55 2kfp n ASN 97 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 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 0.14 -0.32 0.00 7.41 0.00 -0.40 -4.93 105.19 107.09 2kfp n GLY 98 Ca 0.06 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.36 2kfp n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kfp n PRO 99 N -0.63 0.99 -1.83 1.61 -0.04 -1.26 -4.89 135.00 128.94 2kfp n PRO 99 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2kfp n PRO 99 Cb 0.00 -1.11 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 2kfp n PRO 99 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kfp s LEU 100 N -1.21 4.37 0.47 1.53 2.01 -1.26 -4.98 118.68 119.60 2kfp s LEU 100 Ca 0.10 2.75 -0.07 0.00 0.01 0.00 0.00 54.13 56.93 2kfp s LEU 100 Cb 0.05 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 42.60 2kfp s LEU 100 CO 0.08 -0.89 0.80 -0.83 1.01 0.00 0.00 176.35 176.51 2kfp s GLY 101 N 1.08 1.64 0.14 -3.19 0.00 -1.26 -4.54 107.32 101.19 2kfp s GLY 101 Ca 0.71 -0.39 -0.18 0.00 0.00 0.00 0.00 44.72 44.86 2kfp s GLY 101 CO 0.33 -0.21 1.79 0.00 0.00 0.00 0.00 173.10 175.01 2kfp h ALA 102 N 0.50 0.38 -0.65 3.20 0.00 -1.96 -0.38 119.26 120.34 2kfp h ALA 102 Ca -0.47 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 2kfp h ALA 102 Cb 1.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2kfp h ALA 102 CO 0.62 -0.15 0.11 0.87 0.00 0.00 0.00 179.25 180.70 2kfp h LYS 103 N 0.40 1.07 -0.48 0.00 1.57 -1.99 -1.48 116.57 115.65 2kfp h LYS 103 Ca 0.11 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2kfp h LYS 103 Cb -0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2kfp h LYS 103 CO -0.02 0.99 0.29 0.93 -0.57 0.00 0.00 179.45 181.06 2kfp h GLU 104 N 0.99 0.66 -0.49 3.15 5.08 -1.84 -1.53 114.58 120.60 2kfp h GLU 104 Ca 0.20 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2kfp h GLU 104 Cb 0.44 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2kfp h GLU 104 CO 0.01 0.49 0.13 0.82 -1.00 0.00 0.00 179.01 179.46 2kfp h ILE 105 N 0.64 1.24 -0.76 3.13 2.04 -0.88 -2.64 117.51 120.27 2kfp h ILE 105 Ca 0.17 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.25 2kfp h ILE 105 Cb 0.00 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 2kfp h ILE 105 CO -0.03 0.29 0.48 0.45 0.00 0.00 0.00 178.15 179.35 2kfp h HIS 106 N 0.66 0.91 -0.59 1.37 3.86 -0.91 -0.77 115.15 119.68 2kfp h HIS 106 Ca 0.15 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2kfp h HIS 106 Cb 0.31 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 2kfp h HIS 106 CO 0.02 0.52 0.33 0.77 0.86 0.00 0.00 177.93 180.43 2kfp h SER 107 N 0.95 0.73 -0.67 2.45 0.02 -1.08 -0.92 113.55 115.02 2kfp h SER 107 Ca 0.30 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2kfp h SER 107 Cb 0.01 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2kfp h SER 107 CO -0.11 0.60 0.17 -0.07 -1.14 0.00 0.00 176.83 176.28 2kfp h LEU 108 N 0.80 1.02 -0.52 5.07 3.38 -1.06 -2.16 115.31 121.84 2kfp h LEU 108 Ca 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2kfp h LEU 108 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2kfp h LEU 108 CO -0.03 0.98 0.17 0.40 0.09 0.00 0.00 178.44 180.05 2kfp h ILE 109 N 1.00 1.23 -0.76 1.22 2.04 -0.76 -2.23 117.51 119.25 2kfp h ILE 109 Ca 0.21 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2kfp h ILE 109 Cb 0.36 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2kfp h ILE 109 CO 0.00 0.28 0.48 -0.08 0.00 0.00 0.00 178.15 178.83 2kfp h GLU 110 N 0.71 1.02 -0.67 2.37 4.81 -0.94 -1.66 114.58 120.22 2kfp h GLU 110 Ca 0.17 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2kfp h GLU 110 Cb 0.27 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2kfp h GLU 110 CO -0.01 0.70 0.30 -0.44 -0.73 0.00 0.00 179.01 178.84 2kfp h ASP 111 N 1.05 0.89 -0.48 1.04 3.32 -0.92 -2.16 116.42 119.16 2kfp h ASP 111 Ca 0.28 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2kfp h ASP 111 Cb -0.07 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 2kfp h ASP 111 CO -0.06 0.79 0.19 0.77 -1.72 0.00 0.00 179.24 179.22 2kfp h SER 112 N 0.93 0.70 -0.46 6.45 4.64 -0.75 -2.16 113.55 122.90 2kfp h SER 112 Ca 0.23 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2kfp h SER 112 Cb 0.15 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2kfp h SER 112 CO -0.03 0.65 0.29 0.15 -0.87 0.00 0.00 176.83 177.01 2kfp h PHE 113 N 0.76 0.60 0.00 4.77 3.57 -0.74 0.23 116.94 126.14 2kfp h PHE 113 Ca 0.18 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2kfp h PHE 113 Cb 0.18 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2kfp h PHE 113 CO 0.01 0.41 -0.22 1.96 -2.23 0.00 0.00 178.31 178.25 2kfp h GLN 114 N 0.62 0.00 0.00 1.11 4.20 -1.10 -0.83 115.11 119.11 2kfp h GLN 114 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2kfp h GLN 114 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2kfp h GLN 114 CO -0.03 0.22 -0.16 1.28 -0.67 0.00 0.00 178.83 179.47 2kfp n LEU 115 N -3.94 0.56 -0.78 1.46 4.77 -0.55 -3.19 117.00 115.33 2kfp n LEU 115 Ca -0.02 0.44 0.07 0.00 -0.03 0.00 0.00 56.01 56.48 2kfp n LEU 115 Cb 0.30 -0.34 0.21 0.00 -2.33 0.00 0.00 43.42 41.26 2kfp n LEU 115 CO 0.34 -0.09 0.67 0.35 -1.33 0.00 0.00 177.39 177.34 2kfp n THR 116 N -1.97 1.61 -2.18 -5.08 -2.24 -0.04 -5.01 114.28 99.37 2kfp n THR 116 Ca 0.06 -1.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.02 2kfp n THR 116 Cb 0.40 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 2kfp n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kfp s ARG 117 N -1.86 4.40 0.91 -0.78 1.70 -0.71 -5.02 118.95 117.59 2kfp s ARG 117 Ca 0.32 2.14 -0.13 0.00 -0.47 0.00 0.00 55.73 57.60 2kfp s ARG 117 Cb 0.23 -3.08 0.17 0.00 -0.57 0.00 0.00 34.95 31.70 2kfp s ARG 117 CO 0.13 -0.12 1.25 -0.51 -1.08 0.00 0.00 175.30 174.97 2kfp s LEU 118 N -1.75 2.74 -0.01 -1.89 1.43 -1.26 -4.83 118.68 113.11 2kfp s LEU 118 Ca 0.48 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2kfp s LEU 118 Cb -0.38 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.47 2kfp s LEU 118 CO 0.51 -2.50 0.03 -0.62 0.23 0.00 0.00 176.35 174.00 2kfp n GLU 119 N -3.57 -4.44 -2.73 1.70 1.02 -1.26 -4.77 120.64 106.59 2kfp n GLU 119 Ca 0.14 3.23 -0.42 0.00 -0.02 0.00 0.00 57.16 60.09 2kfp n GLU 119 Cb 0.60 -4.19 -0.03 0.00 -0.02 0.00 0.00 31.44 27.80 2kfp n GLU 119 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kfp s HIS 120 N -0.52 2.80 -0.22 -0.32 5.65 -1.26 -4.33 115.29 117.08 2kfp s HIS 120 Ca -0.03 -1.07 0.00 0.00 0.25 0.00 0.00 55.06 54.21 2kfp s HIS 120 Cb 0.00 -4.50 0.00 0.00 -1.18 0.00 0.00 32.58 26.90 2kfp s HIS 120 CO 0.09 -1.73 0.00 0.72 -0.65 0.00 0.00 174.74 173.17 2kfp n HIS 121 N 7.81 -0.20 -4.18 3.88 8.25 -1.26 -4.86 115.22 124.66 2kfp n HIS 121 Ca 0.28 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.44 2kfp n HIS 121 Cb 0.50 -1.25 -0.09 0.00 1.12 0.00 0.00 29.99 30.27 2kfp n HIS 121 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kfp s HIS 122 N -0.71 2.86 -0.20 4.41 3.76 -1.26 -4.58 115.29 119.57 2kfp s HIS 122 Ca 0.00 -0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 54.81 2kfp s HIS 122 Cb 0.00 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.21 2kfp s HIS 122 CO 0.00 0.45 0.01 1.58 -0.85 0.00 0.00 174.74 175.93 2kfp n HIS 123 N 0.64 -2.69 -3.19 1.40 -0.00 -1.26 -4.32 115.22 105.80 2kfp n HIS 123 Ca -0.12 1.22 -0.18 0.00 -0.00 0.00 0.00 57.72 58.64 2kfp n HIS 123 Cb 0.52 -3.00 0.02 0.00 -0.00 0.00 0.00 29.99 27.53 2kfp n HIS 123 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kfp n HIS 124 N 0.99 -2.36 -0.15 1.57 8.25 -1.26 -5.02 115.22 117.23 2kfp n HIS 124 Ca -0.02 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.43 2kfp n HIS 124 Cb 0.19 -2.36 0.00 0.00 1.12 0.00 0.00 29.99 28.94 2kfp n HIS 124 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56