#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 6.00 0.17 6.12 0.01 -1.26 -4.73 114.94 121.25 2kfp s ASN 2 Ca 0.00 -0.13 -0.13 0.00 -0.71 0.00 0.00 52.86 51.89 2kfp s ASN 2 Cb 0.00 -1.45 0.08 0.00 0.41 0.00 0.00 41.25 40.28 2kfp s ASN 2 CO 0.00 -0.26 1.79 -0.09 -1.51 0.00 0.00 177.10 177.03 2kfp h ARG 3 N 1.08 0.81 -0.46 -0.60 2.43 -1.99 0.62 114.38 116.28 2kfp h ARG 3 Ca -0.48 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 58.53 2kfp h ARG 3 Cb 1.24 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 2kfp h ARG 3 CO 0.57 0.62 0.02 0.37 -1.51 0.00 0.00 179.97 180.04 2kfp h GLN 4 N 0.79 0.79 -0.59 0.20 5.75 -1.99 -1.64 115.11 118.41 2kfp h GLN 4 Ca 0.21 -0.24 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 2kfp h GLN 4 Cb 0.04 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 2kfp h GLN 4 CO -0.03 0.83 0.16 1.96 -2.65 0.00 0.00 178.83 179.10 2kfp h GLN 5 N 0.64 0.94 -0.32 1.69 1.08 -1.88 -0.64 115.11 116.61 2kfp h GLN 5 Ca 0.13 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2kfp h GLN 5 Cb 0.46 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2kfp h GLN 5 CO 0.02 0.86 0.16 0.35 -0.95 0.00 0.00 178.83 179.27 2kfp h PHE 6 N 0.85 0.46 -0.48 2.96 3.57 -0.71 0.58 116.94 124.18 2kfp h PHE 6 Ca 0.19 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2kfp h PHE 6 Cb 0.33 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2kfp h PHE 6 CO 0.02 0.40 0.15 0.82 -2.23 0.00 0.00 178.31 177.48 2kfp h ILE 7 N 0.39 1.22 -0.70 1.41 2.04 -1.12 -0.04 117.51 120.71 2kfp h ILE 7 Ca 0.11 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 2kfp h ILE 7 Cb 0.11 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2kfp h ILE 7 CO -0.01 0.27 0.30 0.44 0.00 0.00 0.00 178.15 179.14 2kfp h ASP 8 N 0.64 0.96 -0.18 1.72 3.32 -0.89 -2.48 116.42 119.51 2kfp h ASP 8 Ca 0.15 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 2kfp h ASP 8 Cb 0.26 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2kfp h ASP 8 CO -0.01 0.86 -0.29 0.22 -1.72 0.00 0.00 179.24 178.31 2kfp h TYR 9 N 1.00 0.77 0.05 4.55 3.20 -0.62 -2.55 116.97 123.36 2kfp h TYR 9 Ca 0.24 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2kfp h TYR 9 Cb 0.19 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2kfp h TYR 9 CO 0.01 0.88 -0.02 0.00 -1.64 0.00 0.00 178.16 177.39 2kfp h ALA 10 N 1.11 -0.06 -0.55 1.82 0.00 -0.58 -1.71 119.26 119.30 2kfp h ALA 10 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2kfp h ALA 10 Cb 0.78 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2kfp h ALA 10 CO 0.06 -0.53 0.08 -0.56 0.00 0.00 0.00 179.25 178.31 2kfp h GLN 11 N -0.07 0.87 -0.78 0.00 3.07 -1.44 0.63 115.11 117.40 2kfp h GLN 11 Ca -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 58.65 58.52 2kfp h GLN 11 Cb 0.05 -0.12 -0.04 0.00 0.08 0.00 0.00 27.48 27.46 2kfp h GLN 11 CO 0.01 0.81 0.44 0.87 0.09 0.00 0.00 178.83 181.05 2kfp h LYS 12 N 0.83 1.09 0.06 0.06 1.57 -1.13 1.71 116.57 120.75 2kfp h LYS 12 Ca 0.17 -0.12 -0.30 0.00 -1.87 0.00 0.00 60.65 58.53 2kfp h LYS 12 Cb 0.37 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2kfp h LYS 12 CO 0.01 0.79 -1.64 -0.22 -0.57 0.00 0.00 179.45 177.82 2kfp h LYS 13 N 1.08 0.13 -0.37 3.15 3.64 -0.98 -3.36 116.57 119.85 2kfp h LYS 13 Ca 0.28 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2kfp h LYS 13 Cb 0.02 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2kfp h LYS 13 CO -0.05 0.88 0.00 0.66 -2.27 0.00 0.00 179.45 178.67 2kfp n TYR 14 N -3.29 0.49 -2.45 1.91 4.01 0.22 -4.94 117.16 113.11 2kfp n TYR 14 Ca -0.18 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 2kfp n TYR 14 Cb 1.04 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 2kfp n TYR 14 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2kfp n ASP 15 N 1.01 -0.97 -4.22 7.72 5.75 0.58 -4.79 116.55 121.64 2kfp n ASP 15 Ca 0.15 0.48 -0.31 0.00 -0.01 0.00 0.00 54.79 55.10 2kfp n ASP 15 Cb 0.49 -0.98 -0.17 0.00 -1.03 0.00 0.00 41.12 39.43 2kfp n ASP 15 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2kfp s THR 16 N -1.97 1.99 0.42 2.12 2.01 -1.23 -5.01 115.64 113.97 2kfp s THR 16 Ca 0.00 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 2kfp s THR 16 Cb 0.00 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 2kfp s THR 16 CO 0.00 0.55 0.75 -1.59 -0.69 0.00 0.00 174.62 173.64 2kfp s LYS 17 N 0.25 3.67 0.15 4.92 -2.85 -1.26 -3.94 119.74 120.67 2kfp s LYS 17 Ca -0.15 0.31 -0.34 0.00 -1.00 0.00 0.00 55.97 54.79 2kfp s LYS 17 Cb -0.17 -2.42 -0.16 0.00 -2.06 0.00 0.00 37.83 33.03 2kfp s LYS 17 CO 0.07 -0.07 1.22 -2.30 0.10 0.00 0.00 175.35 174.37 2kfp n PRO 18 N -1.63 1.20 -4.90 1.78 -0.02 -1.26 -4.91 135.00 125.25 2kfp n PRO 18 Ca 0.01 0.43 -0.31 0.00 -2.02 0.00 0.00 63.50 61.61 2kfp n PRO 18 Cb 0.54 -1.97 -0.14 0.00 -0.02 0.00 0.00 33.50 31.91 2kfp n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kfp s ASP 19 N 0.14 3.41 -0.40 2.55 1.01 -0.97 -4.89 116.67 117.51 2kfp s ASP 19 Ca 0.76 -0.49 0.04 0.00 0.71 0.00 0.00 52.55 53.57 2kfp s ASP 19 Cb -0.87 -0.44 0.16 0.00 1.01 0.00 0.00 42.92 42.78 2kfp s ASP 19 CO 0.51 0.28 0.39 -1.38 0.21 0.00 0.00 175.17 175.17 2kfp s HIS 20 N -0.80 0.06 -0.95 4.23 -3.43 -1.26 0.17 115.29 113.31 2kfp s HIS 20 Ca 0.12 -1.34 0.27 0.00 -0.80 0.00 0.00 55.06 53.32 2kfp s HIS 20 Cb -0.10 -0.52 0.91 0.00 -1.43 0.00 0.00 32.58 31.44 2kfp s HIS 20 CO 0.02 -0.95 1.71 -0.35 -2.00 0.00 0.00 174.74 173.17 2kfp n PRO 21 N 3.62 0.04 -2.81 -0.38 -0.04 -1.26 -4.70 135.00 129.46 2kfp n PRO 21 Ca 0.18 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 2kfp n PRO 21 Cb 0.46 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 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 -3.02 2.74 0.27 0.54 0.52 -1.26 -4.88 118.94 113.86 2kfp s TRP 22 Ca 0.12 -0.07 0.03 0.00 0.02 0.00 0.00 56.10 56.20 2kfp s TRP 22 Cb 0.18 -4.15 0.39 0.00 -1.15 0.00 0.00 33.47 28.73 2kfp s TRP 22 CO 0.60 -1.44 1.69 1.05 0.02 0.00 0.00 176.95 178.88 2kfp h GLU 23 N 9.39 0.43 0.00 4.98 4.11 -2.01 -2.11 114.58 129.38 2kfp h GLU 23 Ca -0.27 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kfp h GLU 23 Cb 1.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2kfp h GLU 23 CO 1.12 0.70 0.00 1.63 0.07 0.00 0.00 179.01 182.53 2kfp n LYS 24 N -4.08 0.30 -3.19 1.06 5.02 -1.26 -3.90 118.16 112.10 2kfp n LYS 24 Ca -0.01 0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 56.12 2kfp n LYS 24 Cb 0.44 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.30 -0.55 0.33 2.13 3.72 -0.80 -4.95 117.46 116.04 2kfp n PHE 25 Ca 0.10 -3.46 0.15 0.00 -0.05 0.00 0.00 57.45 54.19 2kfp n PHE 25 Cb 0.19 -0.21 0.64 0.00 -0.94 0.00 0.00 39.48 39.16 2kfp n PHE 25 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kfp h PRO 26 N 4.18 0.00 -0.00 -1.08 0.13 -1.66 -2.28 132.00 131.28 2kfp h PRO 26 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2kfp h PRO 26 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2kfp h PRO 26 CO 0.44 0.00 -0.11 -0.25 -0.23 0.00 0.00 178.00 177.85 2kfp n ASP 27 N -2.71 0.54 -4.83 1.44 8.00 -1.26 -4.85 116.55 112.87 2kfp n ASP 27 Ca 0.01 -0.65 -0.34 0.00 0.71 0.00 0.00 54.79 54.52 2kfp n ASP 27 Cb 0.25 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.23 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 -2.44 3.47 -0.04 1.24 1.51 -0.86 -4.67 117.35 115.57 2kfp s TYR 28 Ca 0.30 1.30 0.03 0.00 -1.01 0.00 0.00 57.07 57.68 2kfp s TYR 28 Cb 0.20 -2.58 0.01 0.00 -0.11 0.00 0.00 41.96 39.47 2kfp s TYR 28 CO 0.47 0.17 -0.10 0.00 -1.11 0.00 0.00 175.55 174.98 2kfp s ALA 29 N -1.83 0.98 -0.11 3.71 0.00 -0.69 -4.52 121.76 119.30 2kfp s ALA 29 Ca 0.51 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.13 2kfp s ALA 29 Cb -0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 2kfp s ALA 29 CO 0.19 0.14 -0.21 0.08 0.00 0.00 0.00 175.76 175.96 2kfp s VAL 30 N 0.31 2.36 -0.25 0.00 1.01 0.13 -0.36 120.40 123.59 2kfp s VAL 30 Ca -0.06 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 2kfp s VAL 30 Cb -0.11 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.38 2kfp s VAL 30 CO 0.01 0.55 -0.08 -0.36 0.00 0.00 0.00 175.10 175.22 2kfp s PHE 31 N 0.38 3.13 0.10 5.22 0.08 0.37 -2.29 117.98 124.96 2kfp s PHE 31 Ca -0.16 -1.83 0.02 0.00 0.12 0.00 0.00 56.93 55.08 2kfp s PHE 31 Cb -0.17 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 2kfp s PHE 31 CO 0.07 -0.79 -0.07 1.03 -0.10 0.00 0.00 175.22 175.36 2kfp s ARG 32 N 1.25 0.83 0.54 0.44 3.00 -1.26 -3.20 118.95 120.55 2kfp s ARG 32 Ca -0.03 -1.32 -0.17 0.00 0.00 0.00 0.00 55.73 54.22 2kfp s ARG 32 Cb -0.18 -0.23 -0.07 0.00 0.00 0.00 0.00 34.95 34.47 2kfp s ARG 32 CO -0.05 -0.01 1.01 -1.58 0.00 0.00 0.00 175.30 174.68 2kfp s HIS 33 N -3.51 3.24 -0.20 -0.53 2.46 -1.26 -4.83 115.29 110.66 2kfp s HIS 33 Ca 0.11 1.50 -0.22 0.00 0.47 0.00 0.00 55.06 56.92 2kfp s HIS 33 Cb 0.04 -2.90 -0.19 0.00 -0.13 0.00 0.00 32.58 29.41 2kfp s HIS 33 CO -0.04 -0.66 0.27 0.66 -2.47 0.00 0.00 174.74 172.50 2kfp h SER 34 N 0.85 0.00 0.26 9.88 4.64 -1.95 -3.31 113.55 123.91 2kfp h SER 34 Ca -0.47 -0.55 -0.19 0.00 -0.47 0.00 0.00 61.79 60.10 2kfp h SER 34 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 2kfp h SER 34 CO 0.60 1.38 -1.92 0.47 -0.87 0.00 0.00 176.83 176.49 2kfp n ASP 35 N -4.47 0.31 -1.82 4.97 8.00 -1.26 -4.30 116.55 117.99 2kfp n ASP 35 Ca -0.28 0.14 -0.16 0.00 0.71 0.00 0.00 54.79 55.20 2kfp n ASP 35 Cb 0.63 0.97 0.19 0.00 -0.02 0.00 0.00 41.12 42.89 2kfp n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kfp n ASN 36 N -2.66 3.24 -4.38 -2.24 4.13 -1.26 -4.96 115.26 107.13 2kfp n ASN 36 Ca -0.16 -3.69 -0.15 0.00 1.68 0.00 0.00 54.58 52.26 2kfp n ASN 36 Cb 0.88 -0.76 -0.15 0.00 -1.54 0.00 0.00 39.78 38.21 2kfp n ASN 36 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2kfp n ASP 37 N -1.14 -1.23 0.00 6.41 8.00 -1.25 -4.05 116.55 123.30 2kfp n ASP 37 Ca 0.50 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 55.06 2kfp n ASP 37 Cb 1.43 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 2kfp n ASP 37 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2kfp n LYS 38 N 5.62 0.45 -3.55 -1.24 4.81 -1.26 -5.02 118.16 117.98 2kfp n LYS 38 Ca 0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.68 2kfp n LYS 38 Cb 0.27 -0.39 -0.02 0.00 0.02 0.00 0.00 35.03 34.92 2kfp n LYS 38 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 2kfp s TRP 39 N -0.90 3.49 -0.03 5.64 1.48 -1.26 -5.05 118.94 122.31 2kfp s TRP 39 Ca 0.00 0.27 -0.01 0.00 -1.06 0.00 0.00 56.10 55.30 2kfp s TRP 39 Cb 0.00 -1.82 0.03 0.00 -1.16 0.00 0.00 33.47 30.52 2kfp s TRP 39 CO 0.00 0.23 0.02 -0.47 -4.06 0.00 0.00 176.95 172.67 2kfp s TYR 40 N -2.18 0.23 -0.01 1.66 5.04 -1.26 -4.58 117.35 116.23 2kfp s TYR 40 Ca 0.38 0.08 -0.16 0.00 -2.44 0.00 0.00 57.07 54.93 2kfp s TYR 40 Cb -0.10 -0.44 0.03 0.00 0.35 0.00 0.00 41.96 41.81 2kfp s TYR 40 CO 0.33 -0.16 0.35 0.00 -1.34 0.00 0.00 175.55 174.73 2kfp s ALA 41 N 1.44 -0.88 0.02 3.97 0.00 -1.19 -4.66 121.76 120.44 2kfp s ALA 41 Ca -0.04 0.40 -0.17 0.00 0.00 0.00 0.00 51.96 52.15 2kfp s ALA 41 Cb -0.13 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.12 2kfp s ALA 41 CO -0.03 -0.29 0.37 -0.48 0.00 0.00 0.00 175.76 175.33 2kfp s LEU 42 N -1.39 0.62 -0.12 0.00 2.34 -1.26 -0.48 118.68 118.39 2kfp s LEU 42 Ca -0.12 0.02 0.03 0.00 0.06 0.00 0.00 54.13 54.12 2kfp s LEU 42 Cb -0.04 1.53 0.00 0.00 -0.56 0.00 0.00 46.19 47.12 2kfp s LEU 42 CO 0.04 -0.57 -0.23 -0.22 -1.06 0.00 0.00 176.35 174.31 2kfp s LEU 43 N -1.74 2.11 0.06 1.48 0.20 0.51 -2.60 118.68 118.70 2kfp s LEU 43 Ca -0.08 -0.57 -0.11 0.00 0.69 0.00 0.00 54.13 54.05 2kfp s LEU 43 Cb -0.02 -1.43 0.01 0.00 -0.43 0.00 0.00 46.19 44.32 2kfp s LEU 43 CO 0.00 0.13 0.24 0.00 -0.29 0.00 0.00 176.35 176.44 2kfp s MET 44 N 0.51 0.79 -0.35 1.98 0.23 -1.08 -1.70 119.30 119.67 2kfp s MET 44 Ca -0.15 -0.67 -0.16 0.00 -1.03 0.00 0.00 55.69 53.68 2kfp s MET 44 Cb -0.17 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.45 2kfp s MET 44 CO 0.05 -0.25 0.42 0.34 -2.03 0.00 0.00 175.02 173.56 2kfp s ASP 45 N -2.30 6.23 0.08 -1.18 -1.08 -1.26 -2.47 116.67 114.69 2kfp s ASP 45 Ca -0.02 -0.21 0.09 0.00 -0.52 0.00 0.00 52.55 51.88 2kfp s ASP 45 Cb 0.01 -2.22 -0.04 0.00 -1.46 0.00 0.00 42.92 39.21 2kfp s ASP 45 CO -0.06 -0.42 -0.23 0.27 0.52 0.00 0.00 175.17 175.26 2kfp s ILE 46 N 2.16 2.50 0.52 4.11 -4.36 -0.93 -4.91 121.20 120.29 2kfp s ILE 46 Ca 0.14 -1.46 -0.23 0.00 -0.26 0.00 0.00 60.65 58.85 2kfp s ILE 46 Cb -0.16 -2.07 -0.06 0.00 1.25 0.00 0.00 42.46 41.42 2kfp s ILE 46 CO 0.12 0.23 1.39 -2.16 0.24 0.00 0.00 174.94 174.76 2kfp s PRO 47 N -1.70 3.27 0.54 0.37 0.04 -1.26 -2.64 135.00 133.61 2kfp s PRO 47 Ca 0.14 2.32 0.32 0.00 0.04 0.00 0.00 61.00 63.82 2kfp s PRO 47 Cb -0.10 -2.36 1.36 0.00 0.04 0.00 0.00 34.50 33.43 2kfp s PRO 47 CO 0.06 -1.12 1.99 0.00 0.04 0.00 0.00 177.00 177.97 2kfp h ALA 48 N 1.68 1.03 0.00 8.56 0.00 -1.64 -2.61 119.26 126.27 2kfp h ALA 48 Ca -0.51 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kfp h ALA 48 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kfp h ALA 48 CO 0.58 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.83 2kfp h GLU 49 N 0.00 0.00 0.00 0.00 5.08 -1.84 -2.32 114.58 115.50 2kfp h GLU 49 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kfp h GLU 49 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2kfp h GLU 49 CO 0.01 0.00 -0.29 1.63 -1.00 0.00 0.00 179.01 179.36 2kfp n LYS 50 N -2.99 0.13 0.00 2.33 4.01 -0.98 -3.47 118.16 117.19 2kfp n LYS 50 Ca 0.01 0.07 0.08 0.00 -0.51 0.00 0.00 58.31 57.96 2kfp n LYS 50 Cb 0.32 -1.61 0.06 0.00 -0.51 0.00 0.00 35.03 33.29 2kfp n LYS 50 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 2kfp n ILE 51 N -1.81 0.00 -0.48 -0.18 -5.35 -1.03 -4.96 119.36 105.54 2kfp n ILE 51 Ca 0.05 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2kfp n ILE 51 Cb 0.38 1.32 0.00 0.00 -1.74 0.00 0.00 39.64 39.60 2kfp n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kfp n GLY 52 N 0.91 0.87 3.72 3.28 0.00 -1.15 -5.03 105.19 107.79 2kfp n GLY 52 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2kfp n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kfp s ILE 53 N -3.03 4.77 -0.77 -0.61 1.01 -0.90 -4.98 121.20 116.69 2kfp s ILE 53 Ca 0.00 1.89 -0.23 0.00 0.00 0.00 0.00 60.65 62.31 2kfp s ILE 53 Cb 0.00 -4.24 0.07 0.00 0.01 0.00 0.00 42.46 38.30 2kfp s ILE 53 CO 0.00 0.26 1.13 0.20 0.00 0.00 0.00 174.94 176.52 2kfp s ASN 54 N 0.49 6.29 0.00 3.58 0.01 -1.26 -4.07 114.94 119.98 2kfp s ASN 54 Ca 0.46 -1.11 0.00 0.00 -0.71 0.00 0.00 52.86 51.50 2kfp s ASN 54 Cb -0.21 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 38.98 2kfp s ASN 54 CO 0.26 -1.48 0.00 0.61 -1.51 0.00 0.00 177.10 174.98 2kfp n GLY 55 N 5.57 0.00 2.16 0.66 0.00 -1.26 -5.00 105.19 107.32 2kfp n GLY 55 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2kfp n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kfp n ASP 56 N -0.09 -3.97 -4.73 1.61 8.00 -1.26 -4.92 116.55 111.18 2kfp n ASP 56 Ca 0.00 0.37 -0.23 0.00 0.71 0.00 0.00 54.79 55.64 2kfp n ASP 56 Cb 0.00 -3.64 -0.06 0.00 -0.02 0.00 0.00 41.12 37.40 2kfp n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2kfp s LYS 57 N -3.28 2.59 0.20 -1.24 -2.85 -1.26 -4.87 119.74 109.03 2kfp s LYS 57 Ca 0.00 -1.21 -0.23 0.00 -1.00 0.00 0.00 55.97 53.53 2kfp s LYS 57 Cb 0.00 -2.37 -0.08 0.00 -2.06 0.00 0.00 37.83 33.32 2kfp s LYS 57 CO 0.00 0.39 0.77 1.03 0.10 0.00 0.00 175.35 177.64 2kfp s ARG 58 N -3.65 4.44 0.12 1.78 0.52 -1.26 -1.71 118.95 119.18 2kfp s ARG 58 Ca 0.32 1.05 0.03 0.00 -0.52 0.00 0.00 55.73 56.61 2kfp s ARG 58 Cb -0.07 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 2kfp s ARG 58 CO 0.22 0.47 -0.09 0.14 0.02 0.00 0.00 175.30 176.06 2kfp s VAL 59 N -1.35 0.94 -0.14 3.52 -7.23 -1.08 -4.93 120.40 110.13 2kfp s VAL 59 Ca 0.40 -1.94 -0.07 0.00 -1.81 0.00 0.00 61.98 58.56 2kfp s VAL 59 Cb -0.20 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2kfp s VAL 59 CO 0.24 -0.77 0.11 -1.81 -0.31 0.00 0.00 175.10 172.56 2kfp s ASP 60 N -2.99 6.13 0.08 4.85 1.01 -1.26 -2.18 116.67 122.31 2kfp s ASP 60 Ca 0.13 0.34 0.02 0.00 0.71 0.00 0.00 52.55 53.74 2kfp s ASP 60 Cb 0.03 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 2kfp s ASP 60 CO -0.02 0.33 -0.07 0.68 0.21 0.00 0.00 175.17 176.31 2kfp s VAL 61 N -0.58 0.61 0.02 -1.27 -7.23 -1.03 -2.41 120.40 108.51 2kfp s VAL 61 Ca 0.12 -1.71 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2kfp s VAL 61 Cb -0.12 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.41 2kfp s VAL 61 CO 0.02 -0.76 -0.05 0.27 -0.31 0.00 0.00 175.10 174.26 2kfp s ILE 62 N -3.10 0.37 0.27 -0.62 -4.36 -1.10 -2.64 121.20 110.03 2kfp s ILE 62 Ca 0.06 -0.62 -0.26 0.00 -0.26 0.00 0.00 60.65 59.57 2kfp s ILE 62 Cb 0.02 -0.40 -0.09 0.00 1.25 0.00 0.00 42.46 43.24 2kfp s ILE 62 CO -0.04 -0.17 0.89 -1.81 0.24 0.00 0.00 174.94 174.05 2kfp s ASP 63 N -0.86 7.37 -0.07 4.36 1.11 -1.07 -1.55 116.67 125.97 2kfp s ASP 63 Ca -0.05 1.78 0.00 0.00 0.18 0.00 0.00 52.55 54.46 2kfp s ASP 63 Cb -0.06 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.40 2kfp s ASP 63 CO -0.00 0.03 -0.05 -0.22 1.18 0.00 0.00 175.17 176.11 2kfp s LEU 64 N -1.74 1.16 -0.01 1.23 1.98 0.64 -4.58 118.68 117.36 2kfp s LEU 64 Ca 0.45 -0.18 -0.28 0.00 -2.89 0.00 0.00 54.13 51.24 2kfp s LEU 64 Cb -0.20 -0.58 -0.03 0.00 0.66 0.00 0.00 46.19 46.03 2kfp s LEU 64 CO 0.25 -0.09 0.89 -0.75 -1.89 0.00 0.00 176.35 174.77 2kfp s LYS 65 N 1.31 4.53 0.11 1.98 2.20 -1.26 -1.26 119.74 127.35 2kfp s LYS 65 Ca -0.04 1.26 -0.01 0.00 -0.36 0.00 0.00 55.97 56.82 2kfp s LYS 65 Cb -0.14 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2kfp s LYS 65 CO -0.02 0.00 0.03 0.14 -0.36 0.00 0.00 175.35 175.14 2kfp s VAL 66 N 0.88 0.17 0.41 4.02 -7.23 -0.96 -4.67 120.40 113.02 2kfp s VAL 66 Ca 0.47 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 2kfp s VAL 66 Cb -0.20 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.78 2kfp s VAL 66 CO 0.25 -0.62 0.78 -1.10 -0.31 0.00 0.00 175.10 174.10 2kfp s GLN 67 N -4.00 3.78 0.44 4.82 -0.21 -1.26 -4.71 119.66 118.51 2kfp s GLN 67 Ca 0.19 0.49 0.26 0.00 0.02 0.00 0.00 55.36 56.32 2kfp s GLN 67 Cb 0.08 -2.38 1.30 0.00 1.00 0.00 0.00 33.01 33.00 2kfp s GLN 67 CO -0.02 -0.05 1.72 -1.35 -2.12 0.00 0.00 175.29 173.48 2kfp h PRO 68 N 1.24 0.21 0.00 2.91 0.11 -1.97 0.53 132.00 135.04 2kfp h PRO 68 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2kfp h PRO 68 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2kfp h PRO 68 CO 0.64 0.14 -1.09 0.93 -0.21 0.00 0.00 178.00 178.41 2kfp h GLU 69 N 0.22 0.00 -0.01 1.05 4.39 -1.98 -3.32 114.58 114.92 2kfp h GLU 69 Ca 0.67 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.37 2kfp h GLU 69 Cb 2.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2kfp h GLU 69 CO -0.28 0.09 -0.45 1.28 -1.16 0.00 0.00 179.01 178.49 2kfp n LEU 70 N -2.76 1.32 -0.16 1.33 4.77 0.12 -4.14 117.00 117.48 2kfp n LEU 70 Ca -0.03 -0.43 -0.11 0.00 -0.03 0.00 0.00 56.01 55.41 2kfp n LEU 70 Cb 0.63 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2kfp n LEU 70 CO 0.41 0.26 0.72 1.62 -1.33 0.00 0.00 177.39 179.06 2kfp h VAL 71 N 1.37 1.27 -0.76 4.08 3.04 -0.28 -2.67 116.25 122.30 2kfp h VAL 71 Ca 0.00 -1.24 -0.05 0.00 -1.01 0.00 0.00 66.70 64.40 2kfp h VAL 71 Cb 0.59 1.13 -0.03 0.00 -2.01 0.00 0.00 31.29 30.97 2kfp h VAL 71 CO 0.00 0.43 0.28 1.23 -1.01 0.00 0.00 177.57 178.49 2kfp h GLY 72 N 0.73 1.23 0.96 3.17 0.00 -1.78 0.89 103.07 108.26 2kfp h GLY 72 Ca 0.11 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 2kfp h GLY 72 CO 0.05 0.64 0.15 0.23 0.00 0.00 0.00 176.54 177.61 2kfp h SER 73 N 1.11 0.32 -0.04 0.19 0.87 -1.72 0.94 113.55 115.21 2kfp h SER 73 Ca 0.25 -0.07 -0.20 0.00 -1.23 0.00 0.00 61.79 60.55 2kfp h SER 73 Cb 0.24 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2kfp h SER 73 CO -0.02 0.29 -0.75 0.25 -0.53 0.00 0.00 176.83 176.08 2kfp h LEU 74 N 0.32 0.73 -0.53 2.23 6.46 -1.22 -3.24 115.31 120.06 2kfp h LEU 74 Ca 0.09 -0.71 -0.15 0.00 -0.12 0.00 0.00 57.88 56.99 2kfp h LEU 74 Cb 0.04 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 2kfp h LEU 74 CO -0.02 1.34 -0.42 -0.09 -0.62 0.00 0.00 178.44 178.63 2kfp h ARG 75 N 0.19 0.72 0.00 1.25 2.43 0.94 -2.77 114.38 117.14 2kfp h ARG 75 Ca -0.08 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2kfp h ARG 75 Cb 1.41 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 2kfp h ARG 75 CO 0.15 1.00 0.00 0.36 -1.51 0.00 0.00 179.97 179.97 2kfp n LYS 76 N -4.03 0.45 -2.98 0.20 -0.00 0.32 -4.76 118.16 107.37 2kfp n LYS 76 Ca -0.02 0.05 -0.32 0.00 -0.00 0.00 0.00 58.31 58.02 2kfp n LYS 76 Cb 0.54 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 34.02 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 -2.34 4.04 0.58 -1.58 -0.14 -1.05 -5.04 119.74 114.21 2kfp s LYS 77 Ca 0.25 0.79 -0.18 0.00 -1.36 0.00 0.00 55.97 55.46 2kfp s LYS 77 Cb 0.14 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 2kfp s LYS 77 CO 0.29 0.06 1.15 -1.25 -0.76 0.00 0.00 175.35 174.83 2kfp s PRO 78 N -3.19 3.15 0.00 -1.68 0.04 -1.26 -3.13 135.00 128.93 2kfp s PRO 78 Ca 0.56 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2kfp s PRO 78 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2kfp s PRO 78 CO 0.18 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2kfp n GLY 79 N 0.13 0.73 3.57 0.56 0.00 -1.26 -4.82 105.19 104.10 2kfp n GLY 79 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.05 4.56 0.16 -0.61 -1.09 -1.18 -2.48 121.20 117.49 2kfp s ILE 80 Ca 0.00 -0.11 0.11 0.00 -2.23 0.00 0.00 60.65 58.41 2kfp s ILE 80 Cb 0.00 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 2kfp s ILE 80 CO 0.00 0.44 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.60 2kfp s TYR 81 N 0.65 2.20 0.71 3.97 1.51 -0.92 -4.93 117.35 120.52 2kfp s TYR 81 Ca 0.02 -0.38 -0.15 0.00 -1.01 0.00 0.00 57.07 55.55 2kfp s TYR 81 Cb -0.13 -1.13 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 2kfp s TYR 81 CO 0.02 0.40 1.16 -1.25 -1.11 0.00 0.00 175.55 174.77 2kfp s PRO 82 N -2.41 2.38 0.52 -1.71 0.04 -1.26 -2.05 135.00 130.50 2kfp s PRO 82 Ca 0.17 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.59 2kfp s PRO 82 Cb -0.09 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 2kfp s PRO 82 CO 0.08 -1.62 0.92 0.00 0.04 0.00 0.00 177.00 176.42 2kfp n ALA 83 N -2.65 -0.01 1.08 8.56 0.00 -1.26 -4.32 120.51 121.91 2kfp n ALA 83 Ca 0.12 0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.69 2kfp n ALA 83 Cb 0.51 -2.06 0.10 0.00 0.00 0.00 0.00 19.45 18.00 2kfp n ALA 83 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2kfp n TYR 84 N -1.19 0.37 -3.23 0.00 9.36 -1.26 -4.88 117.16 116.34 2kfp n TYR 84 Ca 0.11 -0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.17 2kfp n TYR 84 Cb 0.44 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 39.09 2kfp n TYR 84 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 2kfp n HIS 85 N 0.13 -0.69 -0.18 2.98 1.44 -1.26 -5.16 115.22 112.49 2kfp n HIS 85 Ca 0.07 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.58 2kfp n HIS 85 Cb 0.28 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.58 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 0.00 -3.90 -3.08 -1.40 2.81 -1.26 -3.92 117.12 106.37 2kfp n MET 86 Ca 0.00 -0.98 -0.22 0.00 -1.81 0.00 0.00 57.70 54.68 2kfp n MET 86 Cb 0.00 -1.27 0.03 0.00 -0.71 0.00 0.00 33.22 31.27 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 -4.89 -5.58 -0.21 7.83 5.03 -1.26 -4.87 115.26 111.31 2kfp n ASN 87 Ca 0.09 -0.30 -0.07 0.00 0.87 0.00 0.00 54.58 55.17 2kfp n ASN 87 Cb 0.40 -4.53 0.03 0.00 -1.02 0.00 0.00 39.78 34.66 2kfp n ASN 87 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2kfp h LYS 88 N -1.27 0.88 -0.34 3.52 3.64 -1.73 0.23 116.57 121.50 2kfp h LYS 88 Ca -0.51 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 58.65 2kfp h LYS 88 Cb 1.35 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2kfp h LYS 88 CO 0.56 0.75 -0.04 0.93 -2.27 0.00 0.00 179.45 179.38 2kfp h GLU 89 N 0.82 0.63 -0.12 1.90 5.08 -1.94 -3.23 114.58 117.72 2kfp h GLU 89 Ca 0.20 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2kfp h GLU 89 Cb 0.19 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2kfp h GLU 89 CO -0.02 0.78 -0.14 0.45 -1.00 0.00 0.00 179.01 179.09 2kfp h HIS 90 N 0.43 0.38 -3.96 4.33 3.86 -1.81 -3.43 115.15 114.95 2kfp h HIS 90 Ca 0.09 -0.12 -0.68 0.00 -1.16 0.00 0.00 60.37 58.50 2kfp h HIS 90 Cb 0.52 -0.08 -0.22 0.00 1.06 0.00 0.00 27.41 28.70 2kfp h HIS 90 CO 0.04 0.73 -0.81 -1.58 0.86 0.00 0.00 177.93 177.17 2kfp s TRP 91 N -4.25 2.52 0.04 2.45 0.51 0.78 -2.26 118.94 118.74 2kfp s TRP 91 Ca -0.14 -0.28 0.05 0.00 -2.12 0.00 0.00 56.10 53.61 2kfp s TRP 91 Cb 0.05 -1.43 -0.02 0.00 -0.81 0.00 0.00 33.47 31.25 2kfp s TRP 91 CO 0.74 0.27 -0.14 0.42 -0.51 0.00 0.00 176.95 177.73 2kfp s ILE 92 N -0.95 1.11 0.00 2.03 -1.09 -0.39 -4.17 121.20 117.73 2kfp s ILE 92 Ca 0.15 -1.03 -0.17 0.00 -2.23 0.00 0.00 60.65 57.36 2kfp s ILE 92 Cb -0.10 -1.01 -0.06 0.00 -1.58 0.00 0.00 42.46 39.71 2kfp s ILE 92 CO 0.06 -0.02 0.49 0.42 -1.23 0.00 0.00 174.94 174.65 2kfp s THR 93 N -0.90 4.95 -0.08 2.92 -4.23 -0.87 -0.26 115.64 117.16 2kfp s THR 93 Ca 0.01 1.02 0.04 0.00 -1.18 0.00 0.00 61.69 61.58 2kfp s THR 93 Cb -0.08 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 2kfp s THR 93 CO 0.01 0.51 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.71 2kfp s VAL 94 N -0.71 2.39 -0.61 2.29 1.01 -0.60 -2.17 120.40 122.00 2kfp s VAL 94 Ca 0.26 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 2kfp s VAL 94 Cb -0.17 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.33 2kfp s VAL 94 CO 0.15 0.56 1.06 -0.22 0.00 0.00 0.00 175.10 176.65 2kfp s LEU 95 N 0.02 3.86 0.17 3.92 2.96 -1.04 -2.70 118.68 125.88 2kfp s LEU 95 Ca -0.08 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.34 2kfp s LEU 95 Cb -0.15 -2.77 0.05 0.00 0.50 0.00 0.00 46.19 43.81 2kfp s LEU 95 CO 0.05 -1.43 1.60 -0.07 -1.32 0.00 0.00 176.35 175.19 2kfp h LEU 96 N 11.60 1.05 0.00 -0.68 3.38 -1.80 -1.56 115.31 127.30 2kfp h LEU 96 Ca -0.27 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2kfp h LEU 96 Cb 1.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kfp h LEU 96 CO 1.16 1.14 0.00 -3.20 0.09 0.00 0.00 178.44 177.63 2kfp n ASN 97 N -4.15 0.00 -2.54 -0.43 2.85 -1.26 -4.56 115.26 105.17 2kfp n ASN 97 Ca 0.02 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2kfp n ASN 97 Cb 0.40 -0.24 0.00 0.00 1.24 0.00 0.00 39.78 41.18 2kfp n ASN 97 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kfp n GLY 98 N -0.15 -1.46 0.00 8.20 0.00 -0.59 -4.92 105.19 106.28 2kfp n GLY 98 Ca 0.07 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.75 0.67 -1.67 1.61 -0.04 -1.26 -4.87 135.00 128.68 2kfp n PRO 99 Ca 0.00 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.99 2kfp n PRO 99 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2kfp n PRO 99 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kfp n LEU 100 N -1.16 3.24 -4.90 1.53 7.99 -1.26 -4.95 117.00 117.48 2kfp n LEU 100 Ca 0.18 1.04 -0.28 0.00 -0.01 0.00 0.00 56.01 56.94 2kfp n LEU 100 Cb 0.18 -1.40 0.01 0.00 -0.11 0.00 0.00 43.42 42.10 2kfp n LEU 100 CO 0.20 -0.19 0.52 -0.83 -1.51 0.00 0.00 177.39 175.58 2kfp s GLY 101 N 2.26 1.55 0.22 -0.72 0.00 -1.26 -4.15 107.32 105.22 2kfp s GLY 101 Ca 0.85 -0.48 -0.07 0.00 0.00 0.00 0.00 44.72 45.01 2kfp s GLY 101 CO 0.44 -0.26 1.78 0.00 0.00 0.00 0.00 173.10 175.05 2kfp h ALA 102 N 0.01 1.05 -0.59 3.20 0.00 -1.97 -0.30 119.26 120.66 2kfp h ALA 102 Ca -0.46 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 2kfp h ALA 102 Cb 1.22 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2kfp h ALA 102 CO 0.62 0.67 0.15 0.87 0.00 0.00 0.00 179.25 181.56 2kfp h LYS 103 N 1.16 0.93 -0.42 0.00 1.57 -1.99 0.60 116.57 118.42 2kfp h LYS 103 Ca 0.26 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2kfp h LYS 103 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2kfp h LYS 103 CO -0.02 0.85 0.04 1.49 -0.57 0.00 0.00 179.45 181.25 2kfp h GLU 104 N 0.84 0.71 -0.50 3.15 4.81 -1.84 -1.81 114.58 119.95 2kfp h GLU 104 Ca 0.19 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2kfp h GLU 104 Cb 0.33 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2kfp h GLU 104 CO -0.00 0.77 0.14 0.82 -0.73 0.00 0.00 179.01 180.01 2kfp h ILE 105 N 0.56 1.23 -0.85 2.32 2.04 -0.84 -2.32 117.51 119.65 2kfp h ILE 105 Ca 0.13 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2kfp h ILE 105 Cb 0.41 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 2kfp h ILE 105 CO 0.01 0.29 0.55 0.45 0.00 0.00 0.00 178.15 179.45 2kfp h HIS 106 N 0.68 1.03 -0.62 1.37 3.86 -0.70 0.00 115.15 120.78 2kfp h HIS 106 Ca 0.16 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2kfp h HIS 106 Cb 0.29 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 2kfp h HIS 106 CO 0.02 0.60 0.36 0.77 0.86 0.00 0.00 177.93 180.53 2kfp h SER 107 N 1.07 0.76 -0.61 2.45 0.02 -1.01 -0.16 113.55 116.08 2kfp h SER 107 Ca 0.34 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 2kfp h SER 107 Cb -0.00 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2kfp h SER 107 CO -0.11 0.61 0.16 -0.07 -1.14 0.00 0.00 176.83 176.27 2kfp h LEU 108 N 0.84 0.91 -0.54 5.07 3.38 -0.80 -2.16 115.31 122.01 2kfp h LEU 108 Ca 0.22 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2kfp h LEU 108 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2kfp h LEU 108 CO -0.04 0.90 0.19 0.40 0.09 0.00 0.00 178.44 179.98 2kfp h ILE 109 N 0.88 1.23 -0.95 1.22 2.04 -0.58 -1.87 117.51 119.48 2kfp h ILE 109 Ca 0.19 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.32 2kfp h ILE 109 Cb 0.34 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 2kfp h ILE 109 CO 0.00 0.28 0.63 -0.08 0.00 0.00 0.00 178.15 178.98 2kfp h GLU 110 N 0.75 1.22 -0.53 2.37 4.57 -0.79 -1.23 114.58 120.94 2kfp h GLU 110 Ca 0.18 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 2kfp h GLU 110 Cb 0.25 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2kfp h GLU 110 CO -0.01 0.81 0.03 -0.44 -1.18 0.00 0.00 179.01 178.22 2kfp h ASP 111 N 1.25 0.85 -0.72 1.04 5.19 -0.92 -2.42 116.42 120.69 2kfp h ASP 111 Ca 0.36 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 2kfp h ASP 111 Cb -0.09 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.17 2kfp h ASP 111 CO -0.09 0.89 0.40 -1.28 -3.12 0.00 0.00 179.24 176.04 2kfp h SER 112 N 0.82 0.90 -0.54 6.45 0.87 -0.45 -0.80 113.55 120.80 2kfp h SER 112 Ca 0.16 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2kfp h SER 112 Cb 0.45 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2kfp h SER 112 CO 0.02 0.73 0.32 0.15 -0.53 0.00 0.00 176.83 177.51 2kfp h PHE 113 N 0.99 0.72 -0.61 2.24 3.57 -0.98 0.19 116.94 123.06 2kfp h PHE 113 Ca 0.25 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2kfp h PHE 113 Cb 0.03 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 2kfp h PHE 113 CO -0.00 0.51 0.33 1.96 -2.23 0.00 0.00 178.31 178.88 2kfp h GLN 114 N 0.73 0.85 -0.70 1.11 1.08 -0.97 2.11 115.11 119.31 2kfp h GLN 114 Ca 0.19 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 2kfp h GLN 114 Cb 0.01 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.24 2kfp h GLN 114 CO -0.03 0.65 0.15 -0.07 -0.95 0.00 0.00 178.83 178.58 2kfp h LEU 115 N 0.83 1.09 -3.05 1.46 3.38 -0.65 -2.29 115.31 116.08 2kfp h LEU 115 Ca 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kfp h LEU 115 Cb 0.05 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2kfp h LEU 115 CO -0.03 1.05 0.00 0.35 0.09 0.00 0.00 178.44 179.89 2kfp n THR 116 N -4.22 1.81 -1.24 0.22 -2.24 0.62 -5.01 114.28 104.22 2kfp n THR 116 Ca 0.05 -1.15 -0.41 0.00 -2.27 0.00 0.00 64.05 60.27 2kfp n THR 116 Cb 0.27 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 2kfp n THR 116 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2kfp n ARG 117 N 1.10 0.00 -2.51 -0.78 1.85 0.71 -4.86 116.66 112.18 2kfp n ARG 117 Ca 0.25 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.72 2kfp n ARG 117 Cb 0.88 -0.93 -0.04 0.00 -1.05 0.00 0.00 32.46 31.32 2kfp n ARG 117 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2kfp s LEU 118 N 3.58 4.35 -0.02 2.89 2.96 -1.26 -4.94 118.68 126.25 2kfp s LEU 118 Ca 0.57 2.16 0.08 0.00 -0.22 0.00 0.00 54.13 56.71 2kfp s LEU 118 Cb -0.69 -3.89 0.13 0.00 0.50 0.00 0.00 46.19 42.24 2kfp s LEU 118 CO 0.56 -0.31 1.06 -0.62 -1.32 0.00 0.00 176.35 175.71 2kfp n GLU 119 N 0.58 0.15 -3.34 1.98 1.02 -1.26 -4.99 120.64 114.79 2kfp n GLU 119 Ca 0.02 -1.42 -0.12 0.00 -0.02 0.00 0.00 57.16 55.61 2kfp n GLU 119 Cb 0.47 -0.50 -0.07 0.00 -0.02 0.00 0.00 31.44 31.32 2kfp n GLU 119 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kfp s HIS 120 N -0.33 -0.74 -0.40 -0.32 3.76 -1.26 -5.11 115.29 110.89 2kfp s HIS 120 Ca 0.11 -0.08 -0.24 0.00 -0.15 0.00 0.00 55.06 54.71 2kfp s HIS 120 Cb 0.12 -0.27 0.02 0.00 1.11 0.00 0.00 32.58 33.56 2kfp s HIS 120 CO -0.04 -0.98 0.83 -1.01 -0.85 0.00 0.00 174.74 172.70 2kfp s HIS 121 N 2.20 3.05 0.21 1.40 3.76 -1.26 -4.91 115.29 119.75 2kfp s HIS 121 Ca 0.12 0.50 -0.02 0.00 -0.15 0.00 0.00 55.06 55.51 2kfp s HIS 121 Cb -0.13 -3.59 0.19 0.00 1.11 0.00 0.00 32.58 30.16 2kfp s HIS 121 CO -0.24 -0.85 1.57 1.25 -0.85 0.00 0.00 174.74 175.62 2kfp h HIS 122 N 8.66 0.68 -5.56 1.40 2.76 -1.99 -3.48 115.15 117.62 2kfp h HIS 122 Ca -0.24 -0.21 -0.10 0.00 -2.20 0.00 0.00 60.37 57.62 2kfp h HIS 122 Cb 1.09 -0.14 0.03 0.00 1.55 0.00 0.00 27.41 29.94 2kfp h HIS 122 CO 0.81 0.90 -0.27 0.72 -1.30 0.00 0.00 177.93 178.80 2kfp n HIS 123 N -4.01 -2.78 -0.14 5.26 8.25 -1.26 -4.91 115.22 115.63 2kfp n HIS 123 Ca -0.02 1.04 -0.11 0.00 -0.26 0.00 0.00 57.72 58.37 2kfp n HIS 123 Cb 0.54 -3.96 -0.01 0.00 1.12 0.00 0.00 29.99 27.68 2kfp n HIS 123 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kfp h HIS 124 N 0.07 0.84 0.00 4.41 2.76 -2.03 -3.58 115.15 117.62 2kfp h HIS 124 Ca -0.18 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 2kfp h HIS 124 Cb 1.10 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2kfp h HIS 124 CO 0.22 0.86 0.00 -2.39 -1.30 0.00 0.00 177.93 175.32