#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfp n ASN 2 N 0.00 1.21 0.08 6.12 3.02 -1.26 -4.60 115.26 119.82 2kfp n ASN 2 Ca 0.00 -1.99 0.02 0.00 -0.03 0.00 0.00 54.58 52.59 2kfp n ASN 2 Cb 0.00 -0.51 0.39 0.00 -0.61 0.00 0.00 39.78 39.05 2kfp n ASN 2 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2kfp h ARG 3 N 0.00 0.35 -0.73 3.52 0.11 -1.99 -2.43 114.38 113.21 2kfp h ARG 3 Ca -0.26 -0.06 0.07 0.00 0.10 0.00 0.00 59.98 59.82 2kfp h ARG 3 Cb 1.01 -0.06 -0.06 0.00 1.11 0.00 0.00 29.97 31.97 2kfp h ARG 3 CO 0.30 0.40 0.41 0.37 0.10 0.00 0.00 179.97 181.54 2kfp h GLN 4 N 0.34 0.72 -0.43 0.08 5.75 -1.99 0.29 115.11 119.88 2kfp h GLN 4 Ca 0.08 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 2kfp h GLN 4 Cb 0.26 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2kfp h GLN 4 CO 0.01 0.48 -0.07 1.96 -2.65 0.00 0.00 178.83 178.56 2kfp h GLN 5 N 0.74 0.80 -0.41 1.69 7.50 -1.81 -1.48 115.11 122.15 2kfp h GLN 5 Ca 0.33 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 59.18 2kfp h GLN 5 Cb 0.22 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.68 2kfp h GLN 5 CO -0.20 0.90 0.21 0.35 -1.50 0.00 0.00 178.83 178.59 2kfp h PHE 6 N 0.63 0.58 -0.55 2.96 3.57 -1.03 -1.11 116.94 121.98 2kfp h PHE 6 Ca 0.11 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2kfp h PHE 6 Cb 0.59 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 2kfp h PHE 6 CO 0.05 0.46 0.21 0.82 -2.23 0.00 0.00 178.31 177.62 2kfp h ILE 7 N 0.52 1.22 -0.84 1.41 2.04 -0.37 -2.42 117.51 119.07 2kfp h ILE 7 Ca 0.14 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2kfp h ILE 7 Cb 0.09 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2kfp h ILE 7 CO -0.02 0.27 0.44 0.44 0.00 0.00 0.00 178.15 179.28 2kfp h ASP 8 N 0.75 1.06 -0.54 1.72 3.32 -1.00 -2.49 116.42 119.24 2kfp h ASP 8 Ca 0.18 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2kfp h ASP 8 Cb 0.21 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2kfp h ASP 8 CO -0.01 0.86 0.34 0.22 -1.72 0.00 0.00 179.24 178.92 2kfp h TYR 9 N 1.18 0.70 -1.00 4.55 3.20 -0.81 -1.83 116.97 122.96 2kfp h TYR 9 Ca 0.29 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.18 2kfp h TYR 9 Cb 0.05 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 2kfp h TYR 9 CO 0.01 0.47 0.66 0.00 -1.64 0.00 0.00 178.16 177.66 2kfp h ALA 10 N 1.17 1.28 -0.28 1.82 0.00 -1.02 0.79 119.26 123.03 2kfp h ALA 10 Ca 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2kfp h ALA 10 Cb -0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 2kfp h ALA 10 CO -0.04 0.64 0.05 1.96 0.00 0.00 0.00 179.25 181.86 2kfp h GLN 11 N 1.35 0.46 -0.41 0.00 1.08 -1.07 -2.67 115.11 113.85 2kfp h GLN 11 Ca 0.37 -0.12 -0.10 0.00 -1.45 0.00 0.00 58.65 57.35 2kfp h GLN 11 Cb -0.13 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 2kfp h GLN 11 CO -0.09 0.58 -0.16 -0.22 -0.95 0.00 0.00 178.83 177.99 2kfp h LYS 12 N 0.28 0.77 0.04 1.46 3.64 -0.93 0.91 116.57 122.75 2kfp h LYS 12 Ca 0.08 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2kfp h LYS 12 Cb 0.34 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2kfp h LYS 12 CO 0.01 0.88 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.83 2kfp h LYS 13 N 0.69 -0.05 0.00 1.90 3.64 -0.71 -3.40 116.57 118.63 2kfp h LYS 13 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2kfp h LYS 13 Cb 0.65 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2kfp h LYS 13 CO 0.05 0.14 -0.24 2.48 -2.27 0.00 0.00 179.45 179.60 2kfp n TYR 14 N -5.03 0.00 -3.70 1.91 0.18 -1.02 -5.01 117.16 104.50 2kfp n TYR 14 Ca -0.08 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.48 2kfp n TYR 14 Cb 0.13 0.05 0.04 0.00 -0.38 0.00 0.00 39.34 39.19 2kfp n TYR 14 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2kfp n ASP 15 N 0.00 -2.28 -4.62 9.48 8.00 0.32 -4.95 116.55 122.50 2kfp n ASP 15 Ca 0.00 -0.77 -0.37 0.00 0.71 0.00 0.00 54.79 54.37 2kfp n ASP 15 Cb 0.60 -4.24 -0.10 0.00 -0.02 0.00 0.00 41.12 37.36 2kfp n ASP 15 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2kfp s THR 16 N -3.54 5.17 0.16 -3.53 2.01 -1.21 -4.95 115.64 109.74 2kfp s THR 16 Ca 0.16 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.20 2kfp s THR 16 Cb -0.08 -3.42 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2kfp s THR 16 CO 0.80 0.33 0.44 -0.54 -0.69 0.00 0.00 174.62 174.96 2kfp s LYS 17 N 1.22 3.71 0.71 4.92 -0.14 -1.26 -4.32 119.74 124.59 2kfp s LYS 17 Ca 0.07 0.09 -0.13 0.00 -1.36 0.00 0.00 55.97 54.64 2kfp s LYS 17 Cb -0.14 -2.82 0.03 0.00 -1.68 0.00 0.00 37.83 33.21 2kfp s LYS 17 CO 0.06 0.44 1.10 -1.25 -0.76 0.00 0.00 175.35 174.94 2kfp s PRO 18 N -2.53 2.53 0.18 -1.68 0.04 -1.26 -4.85 135.00 127.43 2kfp s PRO 18 Ca 0.41 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.81 2kfp s PRO 18 Cb -0.12 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2kfp s PRO 18 CO 0.22 -1.44 0.06 -0.51 0.04 0.00 0.00 177.00 175.37 2kfp s ASP 19 N -2.96 5.08 -0.40 6.66 1.01 0.10 -4.83 116.67 121.33 2kfp s ASP 19 Ca 0.64 -0.30 0.02 0.00 0.71 0.00 0.00 52.55 53.63 2kfp s ASP 19 Cb -0.19 -1.19 0.15 0.00 1.01 0.00 0.00 42.92 42.70 2kfp s ASP 19 CO 0.48 0.07 0.27 -1.00 0.21 0.00 0.00 175.17 175.21 2kfp s HIS 20 N -1.78 1.22 -0.93 4.23 3.76 -1.26 -2.25 115.29 118.29 2kfp s HIS 20 Ca 0.29 -2.07 0.26 0.00 -0.15 0.00 0.00 55.06 53.39 2kfp s HIS 20 Cb -0.09 -1.20 0.68 0.00 1.11 0.00 0.00 32.58 33.08 2kfp s HIS 20 CO 0.21 -0.81 1.55 -0.35 -0.85 0.00 0.00 174.74 174.49 2kfp n PRO 21 N 3.49 0.06 -3.38 8.40 -0.04 -1.26 -4.65 135.00 137.61 2kfp n PRO 21 Ca 0.17 0.02 -0.45 0.00 -0.04 0.00 0.00 63.50 63.21 2kfp n PRO 21 Cb 0.40 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 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 -3.03 3.36 0.21 0.54 0.51 -1.26 -4.91 118.94 114.35 2kfp s TRP 22 Ca 0.11 -1.55 -0.04 0.00 -2.12 0.00 0.00 56.10 52.49 2kfp s TRP 22 Cb 0.17 -3.71 0.17 0.00 -0.81 0.00 0.00 33.47 29.28 2kfp s TRP 22 CO 0.66 -1.01 1.60 1.05 -0.51 0.00 0.00 176.95 178.74 2kfp h GLU 23 N 8.61 0.73 0.00 4.98 4.11 -2.02 -2.60 114.58 128.39 2kfp h GLU 23 Ca -0.22 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 58.88 2kfp h GLU 23 Cb 1.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2kfp h GLU 23 CO 0.95 0.94 0.00 1.63 0.07 0.00 0.00 179.01 182.60 2kfp n LYS 24 N -4.08 0.35 -3.25 1.06 5.02 -1.26 -3.99 118.16 112.00 2kfp n LYS 24 Ca -0.01 0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.13 2kfp n LYS 24 Cb 0.47 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.18 -1.23 0.41 2.13 3.72 -0.98 -4.96 117.46 115.37 2kfp n PHE 25 Ca 0.10 -3.09 0.12 0.00 -0.05 0.00 0.00 57.45 54.53 2kfp n PHE 25 Cb 0.10 0.31 0.49 0.00 -0.94 0.00 0.00 39.48 39.45 2kfp n PHE 25 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kfp n PRO 26 N 2.49 0.21 0.00 -1.08 -0.04 -1.25 -2.46 135.00 132.86 2kfp n PRO 26 Ca 0.26 0.41 0.14 0.00 -0.04 0.00 0.00 63.50 64.27 2kfp n PRO 26 Cb 0.51 -1.88 0.74 0.00 -0.04 0.00 0.00 33.50 32.82 2kfp n PRO 26 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kfp n ASP 27 N -2.27 0.00 -4.86 3.54 8.00 -1.26 -4.78 116.55 114.92 2kfp n ASP 27 Ca 0.02 -0.23 -0.36 0.00 0.71 0.00 0.00 54.79 54.94 2kfp n ASP 27 Cb 0.25 -0.25 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 -2.49 3.64 -0.01 1.24 1.51 -1.03 -4.75 117.35 115.45 2kfp s TYR 28 Ca 0.29 0.82 0.04 0.00 -1.01 0.00 0.00 57.07 57.21 2kfp s TYR 28 Cb 0.19 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 2kfp s TYR 28 CO 0.42 0.60 -0.14 0.00 -1.11 0.00 0.00 175.55 175.31 2kfp s ALA 29 N -1.24 1.20 -0.09 3.71 0.00 -0.91 -4.85 121.76 119.58 2kfp s ALA 29 Ca 0.27 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.65 2kfp s ALA 29 Cb -0.15 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.67 2kfp s ALA 29 CO 0.15 0.29 -0.17 0.08 0.00 0.00 0.00 175.76 176.10 2kfp s VAL 30 N -0.29 1.58 -0.29 0.00 1.01 -0.95 -1.35 120.40 120.11 2kfp s VAL 30 Ca 0.05 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 2kfp s VAL 30 Cb -0.06 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.92 2kfp s VAL 30 CO -0.00 0.46 0.04 -0.36 0.00 0.00 0.00 175.10 175.23 2kfp s PHE 31 N 0.67 3.14 -0.07 5.22 0.08 0.21 0.02 117.98 127.25 2kfp s PHE 31 Ca -0.13 -1.18 -0.06 0.00 0.12 0.00 0.00 56.93 55.67 2kfp s PHE 31 Cb -0.16 -2.20 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2kfp s PHE 31 CO 0.03 -0.63 0.19 0.50 -0.10 0.00 0.00 175.22 175.22 2kfp s ARG 32 N 1.44 0.22 -0.24 0.44 3.52 -1.26 -1.94 118.95 121.13 2kfp s ARG 32 Ca 0.01 0.29 -0.10 0.00 -0.13 0.00 0.00 55.73 55.81 2kfp s ARG 32 Cb -0.17 0.07 -0.05 0.00 -1.56 0.00 0.00 34.95 33.24 2kfp s ARG 32 CO 0.01 -0.05 0.15 -1.01 -0.81 0.00 0.00 175.30 173.59 2kfp s HIS 33 N 0.26 3.29 -0.09 5.12 3.76 -1.25 -4.96 115.29 121.41 2kfp s HIS 33 Ca -0.01 0.17 0.23 0.00 -0.15 0.00 0.00 55.06 55.29 2kfp s HIS 33 Cb -0.03 -2.26 0.60 0.00 1.11 0.00 0.00 32.58 32.00 2kfp s HIS 33 CO -0.01 0.03 1.69 0.77 -0.85 0.00 0.00 174.74 176.37 2kfp h SER 34 N 7.58 0.00 -0.69 1.40 0.02 -1.95 -2.96 113.55 116.95 2kfp h SER 34 Ca -0.38 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 2kfp h SER 34 Cb 1.17 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2kfp h SER 34 CO 0.64 0.21 0.31 0.44 -1.14 0.00 0.00 176.83 177.30 2kfp h ASP 35 N 0.00 0.91 -0.22 3.07 3.32 -1.96 -1.89 116.42 119.65 2kfp h ASP 35 Ca -0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2kfp h ASP 35 Cb 0.95 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2kfp h ASP 35 CO 0.03 0.80 0.00 0.59 -1.72 0.00 0.00 179.24 178.94 2kfp n ASN 36 N -4.43 2.30 -0.18 6.45 4.13 -1.22 -4.89 115.26 117.43 2kfp n ASN 36 Ca 0.05 -1.81 -0.01 0.00 1.68 0.00 0.00 54.58 54.49 2kfp n ASN 36 Cb 0.14 -0.14 -0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 0.75 -2.24 0.00 6.41 8.00 -0.71 -4.60 116.55 124.15 2kfp n ASP 37 Ca 0.17 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2kfp n ASP 37 Cb 0.43 -1.71 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 2kfp n ASP 37 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kfp n LYS 38 N 0.10 0.00 -2.97 -1.24 5.02 -1.24 -5.02 118.16 112.82 2kfp n LYS 38 Ca -0.01 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.27 2kfp n LYS 38 Cb 0.20 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.20 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 -1.43 -4.05 2.13 -0.00 -1.26 -3.93 117.44 108.90 2kfp n TRP 39 Ca 0.00 0.76 -0.35 0.00 -0.00 0.00 0.00 57.50 57.91 2kfp n TRP 39 Cb 0.00 -1.98 -0.12 0.00 -0.00 0.00 0.00 31.31 29.22 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 -0.60 3.11 -0.18 5.87 1.51 -1.26 -3.86 117.35 121.94 2kfp s TYR 40 Ca -0.06 -0.25 -0.09 0.00 -1.01 0.00 0.00 57.07 55.65 2kfp s TYR 40 Cb 0.00 -2.09 0.06 0.00 -0.11 0.00 0.00 41.96 39.83 2kfp s TYR 40 CO 0.26 -0.11 0.43 0.00 -1.11 0.00 0.00 175.55 175.02 2kfp s ALA 41 N 0.82 -1.11 -0.07 3.71 0.00 -0.82 -4.59 121.76 119.70 2kfp s ALA 41 Ca 0.02 1.57 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 2kfp s ALA 41 Cb -0.14 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 21.99 2kfp s ALA 41 CO 0.02 -0.34 0.20 -0.48 0.00 0.00 0.00 175.76 175.16 2kfp s LEU 42 N 1.59 1.22 -0.14 0.00 2.34 -1.26 0.66 118.68 123.09 2kfp s LEU 42 Ca -0.08 0.38 -0.02 0.00 0.06 0.00 0.00 54.13 54.47 2kfp s LEU 42 Cb -0.09 0.71 -0.02 0.00 -0.56 0.00 0.00 46.19 46.23 2kfp s LEU 42 CO -0.13 -0.09 -0.07 -0.22 -1.06 0.00 0.00 176.35 174.78 2kfp s LEU 43 N 0.03 3.09 0.11 1.48 0.20 -0.45 -2.45 118.68 120.68 2kfp s LEU 43 Ca -0.01 -0.18 -0.21 0.00 0.69 0.00 0.00 54.13 54.42 2kfp s LEU 43 Cb -0.02 -1.73 0.06 0.00 -0.43 0.00 0.00 46.19 44.07 2kfp s LEU 43 CO 0.00 0.18 0.53 0.00 -0.29 0.00 0.00 176.35 176.77 2kfp s MET 44 N 0.26 1.14 -0.32 1.98 0.23 -1.09 -2.14 119.30 119.35 2kfp s MET 44 Ca -0.05 -0.42 -0.13 0.00 -1.03 0.00 0.00 55.69 54.05 2kfp s MET 44 Cb -0.14 0.52 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 2kfp s MET 44 CO 0.04 -0.45 0.27 0.16 -2.03 0.00 0.00 175.02 173.00 2kfp s ASP 45 N -2.45 6.10 0.05 -1.18 -4.77 -1.26 -2.44 116.67 110.72 2kfp s ASP 45 Ca -0.01 -0.24 0.07 0.00 -3.30 0.00 0.00 52.55 49.07 2kfp s ASP 45 Cb -0.00 -2.15 -0.03 0.00 -1.09 0.00 0.00 42.92 39.65 2kfp s ASP 45 CO -0.08 -0.22 -0.19 0.27 0.70 0.00 0.00 175.17 175.64 2kfp s ILE 46 N 1.83 1.57 0.26 2.11 -4.36 -1.02 -4.88 121.20 116.70 2kfp s ILE 46 Ca 0.08 -1.21 -0.29 0.00 -0.26 0.00 0.00 60.65 58.97 2kfp s ILE 46 Cb -0.17 -1.38 -0.15 0.00 1.25 0.00 0.00 42.46 42.01 2kfp s ILE 46 CO 0.11 0.13 0.96 -2.65 0.24 0.00 0.00 174.94 173.73 2kfp n PRO 47 N 1.75 1.11 0.27 0.37 -0.02 -1.26 -2.69 135.00 134.53 2kfp n PRO 47 Ca -0.18 0.39 0.16 0.00 -2.02 0.00 0.00 63.50 61.85 2kfp n PRO 47 Cb 0.54 -1.73 0.74 0.00 -0.02 0.00 0.00 33.50 33.02 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 2.07 1.08 0.00 3.55 0.00 -1.25 -2.63 119.26 122.08 2kfp h ALA 48 Ca -0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2kfp h ALA 48 Cb 1.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2kfp h ALA 48 CO 0.62 0.10 -0.13 1.05 0.00 0.00 0.00 179.25 180.88 2kfp h GLU 49 N 0.00 0.00 -0.67 0.00 4.11 -1.79 -2.45 114.58 113.77 2kfp h GLU 49 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 2kfp h GLU 49 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2kfp h GLU 49 CO 0.01 0.13 0.15 0.87 0.07 0.00 0.00 179.01 180.24 2kfp h LYS 50 N 0.00 1.08 -0.57 1.06 1.57 -1.74 -2.00 116.57 115.97 2kfp h LYS 50 Ca -0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2kfp h LYS 50 Cb 0.23 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2kfp h LYS 50 CO 0.02 0.97 0.00 0.44 -0.57 0.00 0.00 179.45 180.31 2kfp n ILE 51 N -4.27 0.00 -0.17 1.86 -5.35 -0.96 -4.79 119.36 105.68 2kfp n ILE 51 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 2kfp n ILE 51 Cb 0.26 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 0.20 2.50 3.71 3.28 0.00 -0.75 -4.98 105.19 109.13 2kfp n GLY 52 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2kfp n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kfp s ILE 53 N -3.11 4.93 -0.77 -0.61 1.01 -0.97 -4.96 121.20 116.72 2kfp s ILE 53 Ca 0.00 1.80 -0.23 0.00 0.00 0.00 0.00 60.65 62.22 2kfp s ILE 53 Cb 0.00 -4.21 0.07 0.00 0.01 0.00 0.00 42.46 38.33 2kfp s ILE 53 CO 0.00 0.17 1.13 0.20 0.00 0.00 0.00 174.94 176.43 2kfp s ASN 54 N 0.96 6.28 0.00 3.58 0.02 -1.26 -2.86 114.94 121.66 2kfp s ASN 54 Ca 0.45 -1.09 0.00 0.00 -1.02 0.00 0.00 52.86 51.20 2kfp s ASN 54 Cb -0.19 -2.47 0.00 0.00 0.02 0.00 0.00 41.25 38.61 2kfp s ASN 54 CO 0.22 -1.48 0.00 0.61 0.02 0.00 0.00 177.10 176.47 2kfp n GLY 55 N 5.56 0.30 1.96 0.66 0.00 -1.26 -4.99 105.19 107.42 2kfp n GLY 55 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.12 -4.69 1.61 -0.08 -1.26 -4.90 116.55 104.11 2kfp n ASP 56 Ca 0.00 0.26 -0.32 0.00 -1.51 0.00 0.00 54.79 53.23 2kfp n ASP 56 Cb 0.00 -2.88 -0.08 0.00 2.34 0.00 0.00 41.12 40.49 2kfp n ASP 56 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2kfp s LYS 57 N -2.83 2.74 0.27 -0.67 -2.85 -1.26 -4.82 119.74 110.32 2kfp s LYS 57 Ca 0.00 -0.67 -0.29 0.00 -1.00 0.00 0.00 55.97 54.01 2kfp s LYS 57 Cb 0.00 -2.64 -0.09 0.00 -2.06 0.00 0.00 37.83 33.03 2kfp s LYS 57 CO 0.00 0.60 1.12 1.03 0.10 0.00 0.00 175.35 178.20 2kfp s ARG 58 N -1.79 4.61 0.09 1.78 0.52 -1.26 -0.79 118.95 122.11 2kfp s ARG 58 Ca 0.22 1.82 0.02 0.00 -0.52 0.00 0.00 55.73 57.27 2kfp s ARG 58 Cb -0.12 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 2kfp s ARG 58 CO 0.13 0.16 -0.07 0.14 0.02 0.00 0.00 175.30 175.68 2kfp s VAL 59 N -1.01 0.71 -0.09 3.52 -7.23 -1.09 -4.88 120.40 110.32 2kfp s VAL 59 Ca 0.46 -1.77 -0.19 0.00 -1.81 0.00 0.00 61.98 58.67 2kfp s VAL 59 Cb -0.32 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2kfp s VAL 59 CO 0.41 -0.76 0.50 -1.81 -0.31 0.00 0.00 175.10 173.13 2kfp s ASP 60 N -2.75 6.75 0.11 4.85 1.01 -1.26 -2.43 116.67 122.95 2kfp s ASP 60 Ca 0.08 0.89 0.03 0.00 0.71 0.00 0.00 52.55 54.26 2kfp s ASP 60 Cb 0.02 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 2kfp s ASP 60 CO -0.03 0.03 -0.08 0.68 0.21 0.00 0.00 175.17 175.97 2kfp s VAL 61 N 0.42 0.85 0.03 -1.27 -7.23 -1.02 -2.20 120.40 109.97 2kfp s VAL 61 Ca 0.27 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 2kfp s VAL 61 Cb -0.16 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 2kfp s VAL 61 CO 0.12 -0.76 -0.09 0.27 -0.31 0.00 0.00 175.10 174.33 2kfp s ILE 62 N -3.21 0.65 0.12 -0.62 -4.36 -1.11 -2.67 121.20 110.00 2kfp s ILE 62 Ca 0.11 -0.85 -0.30 0.00 -0.26 0.00 0.00 60.65 59.35 2kfp s ILE 62 Cb 0.02 -0.64 -0.06 0.00 1.25 0.00 0.00 42.46 43.03 2kfp s ILE 62 CO -0.02 -0.16 0.98 -0.62 0.24 0.00 0.00 174.94 175.36 2kfp s ASP 63 N -1.11 7.46 -0.12 4.36 -1.08 -1.03 -2.40 116.67 122.75 2kfp s ASP 63 Ca -0.04 1.84 0.00 0.00 -0.52 0.00 0.00 52.55 53.83 2kfp s ASP 63 Cb -0.07 -2.59 0.02 0.00 -1.46 0.00 0.00 42.92 38.82 2kfp s ASP 63 CO 0.00 -0.09 -0.11 -0.22 0.52 0.00 0.00 175.17 175.27 2kfp s LEU 64 N -0.05 1.47 0.06 -1.34 1.98 -0.67 -4.50 118.68 115.63 2kfp s LEU 64 Ca 0.47 -0.38 -0.26 0.00 -2.89 0.00 0.00 54.13 51.07 2kfp s LEU 64 Cb -0.24 -0.99 -0.06 0.00 0.66 0.00 0.00 46.19 45.56 2kfp s LEU 64 CO 0.31 -0.06 0.80 -0.75 -1.89 0.00 0.00 176.35 174.75 2kfp s LYS 65 N 1.42 4.53 0.13 1.98 2.36 -1.26 -1.25 119.74 127.65 2kfp s LYS 65 Ca 0.01 1.14 -0.05 0.00 -2.55 0.00 0.00 55.97 54.52 2kfp s LYS 65 Cb -0.13 -3.36 -0.02 0.00 -1.05 0.00 0.00 37.83 33.26 2kfp s LYS 65 CO -0.07 0.29 0.16 0.14 1.55 0.00 0.00 175.35 177.41 2kfp s VAL 66 N -0.10 0.10 0.28 4.02 -7.23 -1.04 -4.82 120.40 111.62 2kfp s VAL 66 Ca 0.40 -1.61 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 2kfp s VAL 66 Cb -0.21 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 2kfp s VAL 66 CO 0.24 -0.46 0.52 -1.10 -0.31 0.00 0.00 175.10 174.00 2kfp s GLN 67 N -3.98 3.59 0.56 4.82 -0.21 -1.26 -4.34 119.66 118.83 2kfp s GLN 67 Ca 0.18 -0.10 0.34 0.00 0.02 0.00 0.00 55.36 55.80 2kfp s GLN 67 Cb 0.06 -2.68 1.49 0.00 1.00 0.00 0.00 33.01 32.87 2kfp s GLN 67 CO -0.01 0.24 1.80 -1.35 -2.12 0.00 0.00 175.29 173.84 2kfp h PRO 68 N 1.61 0.00 0.03 2.91 0.11 -1.99 0.89 132.00 135.56 2kfp h PRO 68 Ca -0.48 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.32 2kfp h PRO 68 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2kfp h PRO 68 CO 0.66 0.00 -1.76 -0.85 -0.21 0.00 0.00 178.00 175.84 2kfp n GLU 69 N -4.04 0.66 0.00 1.05 0.28 -1.26 -3.92 120.64 113.41 2kfp n GLU 69 Ca 0.21 0.30 0.13 0.00 -0.16 0.00 0.00 57.16 57.64 2kfp n GLU 69 Cb 1.12 -1.78 0.44 0.00 1.43 0.00 0.00 31.44 32.65 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 -3.14 0.84 -0.15 -1.84 4.77 0.84 -3.93 117.00 114.39 2kfp n LEU 70 Ca -0.20 -0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 55.50 2kfp n LEU 70 Cb 1.05 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.98 2kfp n LEU 70 CO 0.45 0.16 0.64 1.62 -1.33 0.00 0.00 177.39 178.93 2kfp h VAL 71 N 0.96 1.27 -0.46 4.08 3.04 0.49 -2.95 116.25 122.68 2kfp h VAL 71 Ca 0.00 -1.40 -0.03 0.00 -1.01 0.00 0.00 66.70 64.25 2kfp h VAL 71 Cb 0.47 1.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.93 2kfp h VAL 71 CO 0.00 0.48 0.15 1.23 -1.01 0.00 0.00 177.57 178.42 2kfp h GLY 72 N 0.79 0.76 2.00 3.17 0.00 -1.77 0.75 103.07 108.77 2kfp h GLY 72 Ca 0.10 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2kfp h GLY 72 CO 0.07 0.42 -0.15 0.23 0.00 0.00 0.00 176.54 177.11 2kfp h SER 73 N 0.60 0.00 0.46 0.19 0.87 -1.75 -1.95 113.55 111.97 2kfp h SER 73 Ca 0.15 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.41 2kfp h SER 73 Cb 0.25 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2kfp h SER 73 CO -0.01 0.15 -1.62 0.25 -0.53 0.00 0.00 176.83 175.07 2kfp h LEU 74 N 0.00 0.22 0.00 2.23 5.85 -1.27 -3.30 115.31 119.04 2kfp h LEU 74 Ca -0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2kfp h LEU 74 Cb 0.35 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2kfp h LEU 74 CO 0.02 1.32 0.00 0.54 -0.34 0.00 0.00 178.44 179.98 2kfp n ARG 75 N -3.30 0.20 0.00 1.25 1.74 0.22 -2.31 116.66 114.45 2kfp n ARG 75 Ca -0.18 0.07 0.14 0.00 -0.77 0.00 0.00 57.85 57.11 2kfp n ARG 75 Cb 1.04 -1.50 0.59 0.00 -1.02 0.00 0.00 32.46 31.57 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 -1.37 0.32 -3.25 5.56 -0.00 -0.76 -4.69 118.16 113.96 2kfp n LYS 76 Ca 0.09 -0.08 -0.42 0.00 -0.00 0.00 0.00 58.31 57.91 2kfp n LYS 76 Cb 0.23 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.68 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 -2.73 3.51 0.50 -1.58 1.02 -0.98 -5.05 119.74 114.43 2kfp s LYS 77 Ca 0.22 -0.28 -0.21 0.00 0.02 0.00 0.00 55.97 55.71 2kfp s LYS 77 Cb 0.19 -3.84 -0.09 0.00 -0.52 0.00 0.00 37.83 33.57 2kfp s LYS 77 CO 0.52 -0.70 0.77 -2.30 -0.92 0.00 0.00 175.35 172.72 2kfp n PRO 78 N 5.75 0.87 0.00 -1.68 -0.02 -1.26 -2.66 135.00 136.00 2kfp n PRO 78 Ca -0.05 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2kfp n PRO 78 Cb 0.49 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2kfp n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kfp n GLY 79 N 1.49 1.60 3.47 -1.23 0.00 -1.26 -4.67 105.19 104.60 2kfp n GLY 79 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.33 4.16 0.13 -0.61 1.01 -1.09 -2.40 121.20 120.07 2kfp s ILE 80 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 60.65 60.52 2kfp s ILE 80 Cb 0.00 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2kfp s ILE 80 CO 0.00 0.41 -0.26 -0.31 0.00 0.00 0.00 174.94 174.79 2kfp s TYR 81 N 1.04 2.34 0.61 3.97 1.51 -1.00 -4.90 117.35 120.92 2kfp s TYR 81 Ca 0.03 -0.36 -0.19 0.00 -1.01 0.00 0.00 57.07 55.54 2kfp s TYR 81 Cb -0.14 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 2kfp s TYR 81 CO 0.02 0.35 1.04 -2.30 -1.11 0.00 0.00 175.55 173.55 2kfp n PRO 82 N 0.88 0.97 -0.73 -1.71 -0.02 -1.26 -2.61 135.00 130.52 2kfp n PRO 82 Ca -0.18 0.38 -0.25 0.00 -2.02 0.00 0.00 63.50 61.44 2kfp n PRO 82 Cb 0.53 -2.25 0.10 0.00 -0.02 0.00 0.00 33.50 31.86 2kfp n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kfp n ALA 83 N -1.72 -2.13 -0.17 3.55 0.00 -1.26 -4.60 120.51 114.18 2kfp n ALA 83 Ca 0.14 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2kfp n ALA 83 Cb 0.47 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2kfp n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kfp n TYR 84 N -3.93 0.00 -4.02 0.00 4.01 -1.26 -4.93 117.16 107.03 2kfp n TYR 84 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.62 2kfp n TYR 84 Cb 0.48 -0.41 -0.14 0.00 -0.31 0.00 0.00 39.34 38.96 2kfp n TYR 84 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2kfp s HIS 85 N -1.50 0.26 0.55 -0.72 3.76 -1.26 -5.04 115.29 111.34 2kfp s HIS 85 Ca 0.00 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 2kfp s HIS 85 Cb 0.00 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.52 2kfp s HIS 85 CO 0.00 -0.02 0.00 -1.33 -0.85 0.00 0.00 174.74 172.54 2kfp n MET 86 N 2.87 -3.46 -2.85 1.40 2.81 -1.26 -4.73 117.12 111.91 2kfp n MET 86 Ca -0.13 2.74 -0.21 0.00 -1.81 0.00 0.00 57.70 58.29 2kfp n MET 86 Cb 0.59 -3.66 0.01 0.00 -0.71 0.00 0.00 33.22 29.45 2kfp n MET 86 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2kfp n ASN 87 N -3.25 -5.27 -0.07 7.83 3.02 -1.26 -4.86 115.26 111.39 2kfp n ASN 87 Ca -0.04 -0.17 -0.10 0.00 -0.03 0.00 0.00 54.58 54.25 2kfp n ASN 87 Cb 0.51 -4.33 -0.04 0.00 -0.61 0.00 0.00 39.78 35.32 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 -0.77 0.37 0.13 3.52 3.64 -1.85 0.36 116.57 121.96 2kfp h LYS 88 Ca -0.47 -0.07 -0.28 0.00 -1.27 0.00 0.00 60.65 58.57 2kfp h LYS 88 Cb 1.33 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2kfp h LYS 88 CO 0.53 0.41 -1.23 1.05 -2.27 0.00 0.00 179.45 177.94 2kfp h GLU 89 N 0.24 0.34 0.05 1.90 4.11 -1.92 -3.34 114.58 115.96 2kfp h GLU 89 Ca 0.08 -0.54 -0.00 0.00 0.07 0.00 0.00 59.36 58.97 2kfp h GLU 89 Cb 0.18 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2kfp h GLU 89 CO -0.01 1.24 -0.02 0.45 0.07 0.00 0.00 179.01 180.74 2kfp h HIS 90 N 0.11 -0.06 -3.46 2.06 3.86 -1.73 -3.35 115.15 112.58 2kfp h HIS 90 Ca -0.15 -0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.40 2kfp h HIS 90 Cb 1.94 0.02 -0.18 0.00 1.06 0.00 0.00 27.41 30.25 2kfp h HIS 90 CO 0.07 0.26 -0.80 -1.58 0.86 0.00 0.00 177.93 176.74 2kfp s TRP 91 N -4.91 2.46 0.08 2.45 0.51 0.12 -2.48 118.94 117.17 2kfp s TRP 91 Ca -0.15 -0.30 0.02 0.00 -2.12 0.00 0.00 56.10 53.55 2kfp s TRP 91 Cb 0.03 -1.26 -0.04 0.00 -0.81 0.00 0.00 33.47 31.39 2kfp s TRP 91 CO 0.65 0.44 -0.07 0.42 -0.51 0.00 0.00 176.95 177.88 2kfp s ILE 92 N -1.39 0.62 -0.22 2.03 -1.09 -0.38 -4.02 121.20 116.74 2kfp s ILE 92 Ca 0.20 -1.73 -0.07 0.00 -2.23 0.00 0.00 60.65 56.82 2kfp s ILE 92 Cb -0.09 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.34 2kfp s ILE 92 CO 0.10 -0.77 0.06 0.42 -1.23 0.00 0.00 174.94 173.52 2kfp s THR 93 N -3.13 4.39 -0.15 2.92 -4.23 -1.07 -1.67 115.64 112.69 2kfp s THR 93 Ca 0.06 -0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.38 2kfp s THR 93 Cb 0.02 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 2kfp s THR 93 CO -0.04 0.39 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.71 2kfp s VAL 94 N 1.16 4.00 -0.56 2.29 1.01 -1.01 -2.37 120.40 124.92 2kfp s VAL 94 Ca 0.04 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 2kfp s VAL 94 Cb -0.14 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.55 2kfp s VAL 94 CO 0.03 0.50 0.82 -0.22 0.00 0.00 0.00 175.10 176.23 2kfp s LEU 95 N 0.22 4.54 0.18 3.92 2.96 -1.01 -2.75 118.68 126.75 2kfp s LEU 95 Ca -0.02 -0.74 -0.08 0.00 -0.22 0.00 0.00 54.13 53.07 2kfp s LEU 95 Cb -0.14 -2.59 0.08 0.00 0.50 0.00 0.00 46.19 44.05 2kfp s LEU 95 CO 0.03 -1.15 1.61 -0.07 -1.32 0.00 0.00 176.35 175.45 2kfp h LEU 96 N 10.55 1.00 0.00 -0.68 3.38 -1.78 -1.71 115.31 126.07 2kfp h LEU 96 Ca -0.27 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2kfp h LEU 96 Cb 1.08 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2kfp h LEU 96 CO 1.07 1.11 0.00 -3.20 0.09 0.00 0.00 178.44 177.51 2kfp n ASN 97 N -4.15 0.00 -2.88 -0.43 5.15 -1.25 -4.65 115.26 107.05 2kfp n ASN 97 Ca 0.02 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 2kfp n ASN 97 Cb 0.40 -0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 2kfp n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kfp n GLY 98 N -0.09 -1.13 0.17 8.20 0.00 -0.64 -4.91 105.19 106.78 2kfp n GLY 98 Ca 0.06 -1.59 0.07 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.25 1.21 -1.81 1.61 -0.04 -1.26 -4.90 135.00 129.56 2kfp n PRO 99 Ca 0.00 -0.33 -0.42 0.00 -0.04 0.00 0.00 63.50 62.71 2kfp n PRO 99 Cb 0.00 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.37 4.37 0.35 1.53 2.01 -1.26 -4.98 118.68 119.33 2kfp s LEU 100 Ca 0.21 2.80 -0.08 0.00 0.01 0.00 0.00 54.13 57.07 2kfp s LEU 100 Cb 0.10 -3.60 -0.06 0.00 0.01 0.00 0.00 46.19 42.64 2kfp s LEU 100 CO 0.16 -0.91 0.67 -0.83 1.01 0.00 0.00 176.35 176.46 2kfp s GLY 101 N 1.04 1.90 0.22 -3.19 0.00 -1.26 -4.91 107.32 101.11 2kfp s GLY 101 Ca 0.71 -0.37 -0.08 0.00 0.00 0.00 0.00 44.72 44.99 2kfp s GLY 101 CO 0.34 -0.21 1.84 0.00 0.00 0.00 0.00 173.10 175.07 2kfp h ALA 102 N 1.43 1.10 -0.56 3.20 0.00 -1.98 0.91 119.26 123.36 2kfp h ALA 102 Ca -0.47 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 2kfp h ALA 102 Cb 1.19 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2kfp h ALA 102 CO 0.65 0.63 0.13 0.87 0.00 0.00 0.00 179.25 181.52 2kfp h LYS 103 N 1.21 0.91 -0.38 0.00 1.57 -1.98 0.16 116.57 118.05 2kfp h LYS 103 Ca 0.30 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2kfp h LYS 103 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2kfp h LYS 103 CO -0.05 0.85 0.01 0.93 -0.57 0.00 0.00 179.45 180.63 2kfp h GLU 104 N 0.81 0.66 -0.47 3.15 4.39 -1.82 -1.19 114.58 120.11 2kfp h GLU 104 Ca 0.18 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2kfp h GLU 104 Cb 0.36 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2kfp h GLU 104 CO 0.00 0.76 0.11 0.82 -1.16 0.00 0.00 179.01 179.54 2kfp h ILE 105 N 0.49 1.24 -0.63 3.13 2.04 -0.63 -1.93 117.51 121.21 2kfp h ILE 105 Ca 0.11 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2kfp h ILE 105 Cb 0.45 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2kfp h ILE 105 CO 0.02 0.30 0.40 0.45 0.00 0.00 0.00 178.15 179.31 2kfp h HIS 106 N 0.63 0.81 -0.61 1.37 3.86 -0.53 -0.69 115.15 120.00 2kfp h HIS 106 Ca 0.15 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 2kfp h HIS 106 Cb 0.32 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 2kfp h HIS 106 CO 0.02 0.53 0.27 0.66 0.86 0.00 0.00 177.93 180.27 2kfp h SER 107 N 0.86 0.81 -0.57 2.45 4.64 -0.99 -0.55 113.55 120.20 2kfp h SER 107 Ca 0.23 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 2kfp h SER 107 Cb -0.06 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 2kfp h SER 107 CO -0.05 0.74 0.12 -0.07 -0.87 0.00 0.00 176.83 176.70 2kfp h LEU 108 N 0.84 0.88 -0.53 5.97 3.38 -0.94 -1.24 115.31 123.67 2kfp h LEU 108 Ca 0.21 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2kfp h LEU 108 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2kfp h LEU 108 CO -0.02 0.89 0.18 0.40 0.09 0.00 0.00 178.44 179.98 2kfp h ILE 109 N 0.82 1.23 -0.75 1.22 2.04 -0.84 0.12 117.51 121.35 2kfp h ILE 109 Ca 0.18 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 2kfp h ILE 109 Cb 0.37 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2kfp h ILE 109 CO 0.01 0.28 0.43 -0.08 0.00 0.00 0.00 178.15 178.79 2kfp h GLU 110 N 0.72 1.03 -0.63 2.37 4.81 -0.85 0.17 114.58 122.19 2kfp h GLU 110 Ca 0.17 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2kfp h GLU 110 Cb 0.25 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2kfp h GLU 110 CO -0.01 0.74 0.20 -0.44 -0.73 0.00 0.00 179.01 178.77 2kfp h ASP 111 N 1.03 0.93 -0.06 1.04 3.32 -0.81 -2.29 116.42 119.57 2kfp h ASP 111 Ca 0.27 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2kfp h ASP 111 Cb -0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2kfp h ASP 111 CO -0.05 0.89 -0.18 0.77 -1.72 0.00 0.00 179.24 178.95 2kfp h SER 112 N 0.91 0.42 -0.19 6.45 4.64 -0.23 -0.61 113.55 124.94 2kfp h SER 112 Ca 0.20 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2kfp h SER 112 Cb 0.30 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2kfp h SER 112 CO -0.01 0.62 0.11 0.15 -0.87 0.00 0.00 176.83 176.83 2kfp h PHE 113 N 0.39 0.26 0.00 4.77 3.57 -0.13 -1.35 116.94 124.45 2kfp h PHE 113 Ca 0.07 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 2kfp h PHE 113 Cb 0.54 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2kfp h PHE 113 CO 0.02 0.23 -0.56 1.96 -2.23 0.00 0.00 178.31 177.72 2kfp h GLN 114 N 0.22 0.00 -0.59 1.11 4.20 -1.28 -1.94 115.11 116.83 2kfp h GLN 114 Ca 0.07 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2kfp h GLN 114 Cb 0.05 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2kfp h GLN 114 CO -0.01 0.56 0.19 1.25 -0.67 0.00 0.00 178.83 180.15 2kfp h LEU 115 N 0.00 0.86 -2.76 1.46 5.85 -0.61 -2.29 115.31 117.82 2kfp h LEU 115 Ca -0.01 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2kfp h LEU 115 Cb 1.06 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2kfp h LEU 115 CO 0.07 0.83 0.00 0.35 -0.34 0.00 0.00 178.44 179.35 2kfp n THR 116 N -4.42 1.58 0.00 1.05 -2.24 -0.55 -4.78 114.28 104.92 2kfp n THR 116 Ca 0.03 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 2kfp n THR 116 Cb 0.20 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.98 0.00 -3.21 -0.78 0.63 -0.74 -4.77 116.66 108.77 2kfp n ARG 117 Ca 0.23 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.15 2kfp n ARG 117 Cb 0.79 -0.22 -0.02 0.00 0.45 0.00 0.00 32.46 33.46 2kfp n ARG 117 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kfp s LEU 118 N 0.00 -1.39 -0.42 6.15 1.43 -1.26 -4.91 118.68 118.27 2kfp s LEU 118 Ca 0.00 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 2kfp s LEU 118 Cb 0.00 1.81 0.16 0.00 0.03 0.00 0.00 46.19 48.20 2kfp s LEU 118 CO 0.00 -0.22 0.32 -1.61 0.23 0.00 0.00 176.35 175.07 2kfp s GLU 119 N 2.09 0.96 0.43 1.70 0.41 -1.26 -4.91 118.70 118.12 2kfp s GLU 119 Ca 0.14 -2.02 0.00 0.00 -0.41 0.00 0.00 54.97 52.68 2kfp s GLU 119 Cb -0.07 -1.59 0.00 0.00 -1.78 0.00 0.00 34.13 30.69 2kfp s GLU 119 CO -0.13 -1.33 0.00 1.58 -0.49 0.00 0.00 175.26 174.90 2kfp n HIS 120 N 3.09 -4.06 -2.97 1.61 -0.00 -1.26 -5.11 115.22 106.53 2kfp n HIS 120 Ca 0.24 1.26 -0.40 0.00 0.46 0.00 0.00 57.72 59.28 2kfp n HIS 120 Cb 0.44 2.90 -0.06 0.00 -0.12 0.00 0.00 29.99 33.15 2kfp n HIS 120 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kfp s HIS 121 N -2.00 3.87 0.00 1.57 3.76 -1.26 -4.88 115.29 116.35 2kfp s HIS 121 Ca 0.00 1.61 0.00 0.00 -0.15 0.00 0.00 55.06 56.52 2kfp s HIS 121 Cb 0.00 -2.79 0.00 0.00 1.11 0.00 0.00 32.58 30.90 2kfp s HIS 121 CO 0.00 0.46 0.00 0.72 -0.85 0.00 0.00 174.74 175.07 2kfp n HIS 122 N 1.88 0.00 -0.16 1.40 -0.00 -1.26 -4.85 115.22 112.23 2kfp n HIS 122 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.58 2kfp n HIS 122 Cb 0.49 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.51 2kfp n HIS 122 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kfp h HIS 123 N 0.00 1.09 -0.53 4.41 3.86 -2.08 -3.02 115.15 118.88 2kfp h HIS 123 Ca 0.00 -0.23 -0.08 0.00 -1.16 0.00 0.00 60.37 58.90 2kfp h HIS 123 Cb 0.00 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 2kfp h HIS 123 CO 0.00 1.04 0.04 1.25 0.86 0.00 0.00 177.93 181.11 2kfp h HIS 124 N 0.86 0.99 0.00 2.45 -0.00 -1.99 -3.57 115.15 113.88 2kfp h HIS 124 Ca 0.13 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2kfp h HIS 124 Cb 0.70 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 2kfp h HIS 124 CO 0.04 0.90 0.00 -2.39 -0.00 0.00 0.00 177.93 176.48