#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 6.09 0.19 6.12 0.01 -1.26 -4.74 114.94 121.34 2kfp s ASN 2 Ca 0.00 0.27 -0.11 0.00 -0.71 0.00 0.00 52.86 52.31 2kfp s ASN 2 Cb 0.00 -1.73 0.11 0.00 0.41 0.00 0.00 41.25 40.05 2kfp s ASN 2 CO 0.00 -0.44 1.81 -0.09 -1.51 0.00 0.00 177.10 176.87 2kfp h ARG 3 N 0.68 0.92 -0.86 -0.60 2.43 -2.00 -2.39 114.38 112.56 2kfp h ARG 3 Ca -0.48 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.58 2kfp h ARG 3 Cb 1.24 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 2kfp h ARG 3 CO 0.59 0.69 0.52 0.37 -1.51 0.00 0.00 179.97 180.62 2kfp h GLN 4 N 0.91 1.17 -0.52 0.20 -0.00 -2.00 -1.75 115.11 113.12 2kfp h GLN 4 Ca 0.23 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.65 58.73 2kfp h GLN 4 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 27.48 27.24 2kfp h GLN 4 CO -0.04 0.82 0.13 1.96 0.00 0.00 0.00 178.83 181.70 2kfp h GLN 5 N 1.19 0.79 -0.59 1.69 4.20 -1.84 -2.27 115.11 118.27 2kfp h GLN 5 Ca 0.31 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2kfp h GLN 5 Cb -0.04 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2kfp h GLN 5 CO -0.06 0.71 0.35 0.35 -0.67 0.00 0.00 178.83 179.52 2kfp h PHE 6 N 0.76 0.78 -0.14 2.96 3.57 -0.87 0.26 116.94 124.27 2kfp h PHE 6 Ca 0.17 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2kfp h PHE 6 Cb 0.28 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2kfp h PHE 6 CO 0.02 0.54 0.08 0.82 -2.23 0.00 0.00 178.31 177.54 2kfp h ILE 7 N 0.80 1.08 -0.56 1.41 1.08 -1.06 0.89 117.51 121.14 2kfp h ILE 7 Ca 0.21 -0.20 -0.07 0.00 -0.39 0.00 0.00 64.86 64.41 2kfp h ILE 7 Cb -0.01 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 2kfp h ILE 7 CO -0.04 0.07 0.06 -0.78 -0.69 0.00 0.00 178.15 176.78 2kfp h ASP 8 N 0.15 0.92 -0.22 1.72 1.82 -1.14 -1.73 116.42 117.94 2kfp h ASP 8 Ca 0.05 -0.28 -0.00 0.00 -0.39 0.00 0.00 57.03 56.41 2kfp h ASP 8 Cb 0.04 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.80 2kfp h ASP 8 CO -0.01 0.96 0.12 0.22 -1.61 0.00 0.00 179.24 178.93 2kfp h TYR 9 N 0.84 0.30 -0.35 0.28 5.03 -0.22 -1.18 116.97 121.67 2kfp h TYR 9 Ca 0.17 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.46 2kfp h TYR 9 Cb 0.46 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 2kfp h TYR 9 CO 0.03 0.26 0.19 0.00 -1.32 0.00 0.00 178.16 177.33 2kfp h ALA 10 N 1.01 0.44 -0.18 1.82 0.00 -0.70 -2.53 119.26 119.12 2kfp h ALA 10 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2kfp h ALA 10 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2kfp h ALA 10 CO -0.01 -0.03 -0.08 1.96 0.00 0.00 0.00 179.25 181.09 2kfp h GLN 11 N 0.43 0.27 -0.15 0.00 4.20 -1.15 0.61 115.11 119.32 2kfp h GLN 11 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2kfp h GLN 11 Cb 0.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2kfp h GLN 11 CO -0.02 0.36 0.04 -0.22 -0.67 0.00 0.00 178.83 178.33 2kfp h LYS 12 N 0.26 0.24 0.00 1.46 3.64 -0.79 2.11 116.57 123.49 2kfp h LYS 12 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kfp h LYS 12 Cb 0.31 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2kfp h LYS 12 CO 0.01 0.38 -0.61 1.63 -2.27 0.00 0.00 179.45 178.60 2kfp n LYS 13 N -4.83 0.13 0.00 1.90 5.02 -1.07 -4.45 118.16 114.88 2kfp n LYS 13 Ca -0.05 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2kfp n LYS 13 Cb 0.15 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2kfp n LYS 13 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2kfp n TYR 14 N -1.76 0.00 -2.84 2.13 4.01 0.21 -5.00 117.16 113.90 2kfp n TYR 14 Ca 0.04 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 2kfp n TYR 14 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.50 -2.10 -4.77 7.72 5.75 0.71 -4.88 116.55 118.49 2kfp n ASP 15 Ca 0.00 0.11 -0.36 0.00 -0.01 0.00 0.00 54.79 54.53 2kfp n ASP 15 Cb 0.00 -1.86 -0.08 0.00 -1.03 0.00 0.00 41.12 38.15 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 -2.41 5.07 0.35 2.12 2.01 -1.26 -4.98 115.64 116.54 2kfp s THR 16 Ca 0.15 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.02 2kfp s THR 16 Cb -0.09 -3.22 -0.10 0.00 0.01 0.00 0.00 72.50 69.11 2kfp s THR 16 CO 0.19 0.57 0.84 -0.54 -0.69 0.00 0.00 174.62 174.98 2kfp s LYS 17 N -0.57 4.17 0.46 4.92 -0.14 -1.26 -4.68 119.74 122.64 2kfp s LYS 17 Ca 0.11 0.93 -0.24 0.00 -1.36 0.00 0.00 55.97 55.42 2kfp s LYS 17 Cb -0.12 -2.43 -0.07 0.00 -1.68 0.00 0.00 37.83 33.53 2kfp s LYS 17 CO 0.02 0.13 1.23 -1.25 -0.76 0.00 0.00 175.35 174.72 2kfp s PRO 18 N -2.85 3.71 0.03 -1.68 0.04 -1.26 -4.82 135.00 128.17 2kfp s PRO 18 Ca 0.55 1.95 0.08 0.00 0.04 0.00 0.00 61.00 63.62 2kfp s PRO 18 Cb -0.11 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 2kfp s PRO 18 CO 0.17 -0.64 -0.24 -0.51 0.04 0.00 0.00 177.00 175.81 2kfp s ASP 19 N -1.13 2.85 -0.56 6.66 1.01 -0.19 -4.80 116.67 120.51 2kfp s ASP 19 Ca 0.63 -0.53 0.04 0.00 0.71 0.00 0.00 52.55 53.40 2kfp s ASP 19 Cb -0.33 -0.27 0.14 0.00 1.01 0.00 0.00 42.92 43.48 2kfp s ASP 19 CO 0.41 0.24 0.34 -1.38 0.21 0.00 0.00 175.17 174.98 2kfp s HIS 20 N -0.74 3.05 0.27 4.23 -3.43 -1.26 -1.39 115.29 116.02 2kfp s HIS 20 Ca 0.10 -3.09 -0.00 0.00 -0.80 0.00 0.00 55.06 51.27 2kfp s HIS 20 Cb -0.09 -2.58 0.52 0.00 -1.43 0.00 0.00 32.58 29.00 2kfp s HIS 20 CO 0.01 -0.69 1.83 -1.35 -2.00 0.00 0.00 174.74 172.54 2kfp h PRO 21 N 6.14 0.91 -6.06 -0.38 0.11 -1.91 -3.40 132.00 127.40 2kfp h PRO 21 Ca 0.02 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.49 2kfp h PRO 21 Cb 0.85 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.70 2kfp h PRO 21 CO 0.66 0.60 -0.08 -1.58 -0.21 0.00 0.00 178.00 177.39 2kfp s TRP 22 N -5.98 3.70 -0.24 0.65 0.51 -1.26 -4.96 118.94 111.37 2kfp s TRP 22 Ca -0.12 1.13 0.20 0.00 -2.12 0.00 0.00 56.10 55.19 2kfp s TRP 22 Cb 0.22 -2.51 0.04 0.00 -0.81 0.00 0.00 33.47 30.41 2kfp s TRP 22 CO 0.80 0.44 1.14 1.05 -0.51 0.00 0.00 176.95 179.88 2kfp h GLU 23 N 5.32 0.00 0.00 4.98 4.11 -2.03 -3.25 114.58 123.72 2kfp h GLU 23 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2kfp h GLU 23 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kfp h GLU 23 CO 0.67 0.13 0.00 1.63 0.07 0.00 0.00 179.01 181.51 2kfp n LYS 24 N -2.87 0.39 -3.30 1.06 5.02 -1.26 -3.91 118.16 113.28 2kfp n LYS 24 Ca -0.01 0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 2kfp n LYS 24 Cb 0.64 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.26 0.22 0.58 2.13 3.01 -1.23 -4.93 117.46 115.99 2kfp n PHE 25 Ca 0.12 -3.62 0.11 0.00 1.01 0.00 0.00 57.45 55.07 2kfp n PHE 25 Cb 0.18 -0.25 0.44 0.00 -0.01 0.00 0.00 39.48 39.84 2kfp n PHE 25 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2kfp n PRO 26 N 1.69 0.10 0.00 -1.08 -0.04 -1.25 -2.28 135.00 132.13 2kfp n PRO 26 Ca 0.24 0.25 0.14 0.00 -0.04 0.00 0.00 63.50 64.09 2kfp n PRO 26 Cb 0.49 -1.66 0.58 0.00 -0.04 0.00 0.00 33.50 32.87 2kfp n PRO 26 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kfp n ASP 27 N -1.83 0.99 -4.81 3.54 5.75 -1.26 -4.85 116.55 114.07 2kfp n ASP 27 Ca 0.04 -1.13 -0.38 0.00 -0.01 0.00 0.00 54.79 53.32 2kfp n ASP 27 Cb 0.26 0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 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 -2.19 3.75 -0.08 2.11 1.51 -0.97 -4.81 117.35 116.68 2kfp s TYR 28 Ca 0.35 1.36 0.02 0.00 -1.01 0.00 0.00 57.07 57.79 2kfp s TYR 28 Cb 0.21 -2.58 0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2kfp s TYR 28 CO 0.40 0.47 -0.14 0.00 -1.11 0.00 0.00 175.55 175.17 2kfp s ALA 29 N -1.30 1.46 -0.05 3.71 0.00 -0.95 -4.45 121.76 120.18 2kfp s ALA 29 Ca 0.36 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2kfp s ALA 29 Cb -0.19 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.30 2kfp s ALA 29 CO 0.21 0.11 -0.08 0.08 0.00 0.00 0.00 175.76 176.08 2kfp s VAL 30 N 0.68 0.79 -0.08 0.00 1.01 -0.49 -2.17 120.40 120.14 2kfp s VAL 30 Ca -0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 2kfp s VAL 30 Cb -0.16 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2kfp s VAL 30 CO 0.04 0.27 -0.05 -0.36 0.00 0.00 0.00 175.10 175.00 2kfp s PHE 31 N 0.67 3.00 -0.06 5.22 0.08 -1.12 -1.02 117.98 124.75 2kfp s PHE 31 Ca -0.11 0.04 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 2kfp s PHE 31 Cb -0.14 -1.75 0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2kfp s PHE 31 CO 0.02 0.34 0.13 -0.98 -0.10 0.00 0.00 175.22 174.62 2kfp s ARG 32 N -0.72 0.07 -0.39 0.44 1.70 -1.26 -3.73 118.95 115.07 2kfp s ARG 32 Ca 0.11 0.33 -0.12 0.00 -0.47 0.00 0.00 55.73 55.58 2kfp s ARG 32 Cb -0.11 -0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.11 2kfp s ARG 32 CO 0.02 -0.16 0.24 -1.58 -1.08 0.00 0.00 175.30 172.74 2kfp s HIS 33 N 1.11 3.24 -0.33 5.89 2.46 -1.26 -4.93 115.29 121.47 2kfp s HIS 33 Ca -0.09 -0.82 0.27 0.00 0.47 0.00 0.00 55.06 54.88 2kfp s HIS 33 Cb -0.11 -2.49 1.07 0.00 -0.13 0.00 0.00 32.58 30.91 2kfp s HIS 33 CO -0.05 -0.62 1.79 0.66 -2.47 0.00 0.00 174.74 174.05 2kfp h SER 34 N 8.50 0.00 0.27 9.88 4.64 -2.00 -2.34 113.55 132.51 2kfp h SER 34 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2kfp h SER 34 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2kfp h SER 34 CO 0.69 0.00 -0.23 0.47 -0.87 0.00 0.00 176.83 176.89 2kfp n ASP 35 N -2.50 0.89 -0.34 4.97 8.00 -1.26 -3.54 116.55 122.77 2kfp n ASP 35 Ca 0.02 -0.80 0.07 0.00 0.71 0.00 0.00 54.79 54.79 2kfp n ASP 35 Cb 0.27 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2kfp n ASP 35 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kfp n ASN 36 N -0.74 1.55 0.00 -2.24 2.85 -0.89 -4.90 115.26 110.89 2kfp n ASN 36 Ca 0.12 -1.27 0.00 0.00 -0.11 0.00 0.00 54.58 53.32 2kfp n ASN 36 Cb 0.33 0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.79 2kfp n ASN 36 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kfp n ASP 37 N -0.10 0.00 -4.47 1.20 -0.08 -1.18 -4.45 116.55 107.47 2kfp n ASP 37 Ca 0.06 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.91 2kfp n ASP 37 Cb 0.30 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.74 2kfp n ASP 37 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2kfp s LYS 38 N 0.00 3.74 0.01 -0.67 -2.85 -1.26 -4.95 119.74 113.75 2kfp s LYS 38 Ca 0.00 -1.91 0.05 0.00 -1.00 0.00 0.00 55.97 53.11 2kfp s LYS 38 Cb 0.00 -5.03 -0.03 0.00 -2.06 0.00 0.00 37.83 30.71 2kfp s LYS 38 CO 0.00 -1.84 -0.13 1.67 0.10 0.00 0.00 175.35 175.15 2kfp s TRP 39 N 2.72 2.71 -0.26 1.78 -2.14 -1.26 -4.89 118.94 117.61 2kfp s TRP 39 Ca 0.37 -0.16 -0.09 0.00 2.66 0.00 0.00 56.10 58.89 2kfp s TRP 39 Cb -0.03 -1.55 0.11 0.00 -3.10 0.00 0.00 33.47 28.89 2kfp s TRP 39 CO -0.06 0.28 0.55 0.71 -2.66 0.00 0.00 176.95 175.77 2kfp s TYR 40 N -0.90 -1.10 -0.28 1.66 2.02 -1.26 -4.90 117.35 112.59 2kfp s TYR 40 Ca 0.15 1.98 0.01 0.00 -0.37 0.00 0.00 57.07 58.83 2kfp s TYR 40 Cb -0.11 0.59 0.17 0.00 -0.40 0.00 0.00 41.96 42.21 2kfp s TYR 40 CO 0.05 -0.58 0.50 0.00 -1.57 0.00 0.00 175.55 173.95 2kfp s ALA 41 N 2.67 -1.75 -0.13 3.71 0.00 -1.24 -4.89 121.76 120.13 2kfp s ALA 41 Ca -0.05 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.94 2kfp s ALA 41 Cb -0.12 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 2kfp s ALA 41 CO -0.16 -1.53 -0.08 -0.51 0.00 0.00 0.00 175.76 173.48 2kfp s LEU 42 N 2.70 3.03 -0.08 0.00 2.01 -1.26 -2.81 118.68 122.27 2kfp s LEU 42 Ca 0.14 -0.19 -0.01 0.00 0.01 0.00 0.00 54.13 54.07 2kfp s LEU 42 Cb -0.13 -1.70 0.03 0.00 0.01 0.00 0.00 46.19 44.39 2kfp s LEU 42 CO -0.23 0.20 0.00 -0.22 1.01 0.00 0.00 176.35 177.11 2kfp s LEU 43 N 0.17 0.61 0.15 1.79 0.20 -0.92 -2.15 118.68 118.52 2kfp s LEU 43 Ca -0.04 -0.11 -0.24 0.00 0.69 0.00 0.00 54.13 54.43 2kfp s LEU 43 Cb -0.14 -0.45 0.07 0.00 -0.43 0.00 0.00 46.19 45.23 2kfp s LEU 43 CO 0.04 -0.20 0.74 0.00 -0.29 0.00 0.00 176.35 176.64 2kfp s MET 44 N 1.97 1.27 -0.29 1.98 0.23 -1.14 -2.23 119.30 121.08 2kfp s MET 44 Ca 0.05 -0.56 -0.10 0.00 -1.03 0.00 0.00 55.69 54.05 2kfp s MET 44 Cb -0.12 0.52 -0.03 0.00 -1.53 0.00 0.00 34.83 33.67 2kfp s MET 44 CO -0.05 -0.57 0.15 0.16 -2.03 0.00 0.00 175.02 172.68 2kfp s ASP 45 N -2.75 5.64 0.06 -1.18 -4.77 -1.26 -2.43 116.67 109.97 2kfp s ASP 45 Ca 0.05 -0.25 0.07 0.00 -3.30 0.00 0.00 52.55 49.13 2kfp s ASP 45 Cb -0.02 -2.03 -0.03 0.00 -1.09 0.00 0.00 42.92 39.75 2kfp s ASP 45 CO -0.06 -0.10 -0.21 0.27 0.70 0.00 0.00 175.17 175.77 2kfp s ILE 46 N 1.67 1.66 0.30 2.11 -4.36 -0.96 -4.84 121.20 116.79 2kfp s ILE 46 Ca 0.06 -1.28 -0.27 0.00 -0.26 0.00 0.00 60.65 58.90 2kfp s ILE 46 Cb -0.16 -1.46 -0.14 0.00 1.25 0.00 0.00 42.46 41.94 2kfp s ILE 46 CO 0.07 0.13 0.76 -2.65 0.24 0.00 0.00 174.94 173.50 2kfp n PRO 47 N 1.66 0.79 0.28 0.37 -0.02 -1.26 -2.47 135.00 134.35 2kfp n PRO 47 Ca -0.18 0.28 0.15 0.00 -2.02 0.00 0.00 63.50 61.73 2kfp n PRO 47 Cb 0.53 -1.53 0.82 0.00 -0.02 0.00 0.00 33.50 33.31 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 1.43 1.30 0.00 3.55 0.00 -0.27 -1.89 119.26 123.37 2kfp h ALA 48 Ca -0.37 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2kfp h ALA 48 Cb 1.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2kfp h ALA 48 CO 0.57 0.09 -0.31 1.05 0.00 0.00 0.00 179.25 180.66 2kfp h GLU 49 N 0.00 0.00 -0.41 0.00 4.11 0.04 -1.45 114.58 116.87 2kfp h GLU 49 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 2kfp h GLU 49 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2kfp h GLU 49 CO 0.01 0.31 0.01 0.87 0.07 0.00 0.00 179.01 180.27 2kfp h LYS 50 N 0.00 0.65 -0.05 1.06 1.79 -1.63 -1.75 116.57 116.64 2kfp h LYS 50 Ca -0.00 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2kfp h LYS 50 Cb 0.56 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2kfp h LYS 50 CO 0.04 0.66 0.00 0.44 -1.08 0.00 0.00 179.45 179.51 2kfp n ILE 51 N -4.25 0.06 -0.03 1.86 -5.35 -1.03 -4.87 119.36 105.76 2kfp n ILE 51 Ca 0.02 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2kfp n ILE 51 Cb 0.27 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 2kfp n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kfp n GLY 52 N 1.02 0.38 3.69 3.28 0.00 -0.66 -4.94 105.19 107.97 2kfp n GLY 52 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.14 4.59 -0.92 -0.61 1.01 -0.57 -4.90 121.20 117.66 2kfp s ILE 53 Ca 0.00 1.87 -0.26 0.00 0.00 0.00 0.00 60.65 62.26 2kfp s ILE 53 Cb 0.00 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 38.11 2kfp s ILE 53 CO 0.00 0.04 2.25 0.21 0.00 0.00 0.00 174.94 177.44 2kfp s ASN 54 N 1.18 3.90 -0.30 3.58 2.47 -1.26 -2.95 114.94 121.56 2kfp s ASN 54 Ca 0.52 -0.44 -0.23 0.00 0.42 0.00 0.00 52.86 53.13 2kfp s ASN 54 Cb -0.21 -2.57 0.19 0.00 -1.45 0.00 0.00 41.25 37.21 2kfp s ASN 54 CO 0.22 -4.04 1.35 -0.83 -3.72 0.00 0.00 177.10 170.08 2kfp s GLY 55 N 9.62 0.38 0.00 1.21 0.00 -1.26 -4.98 107.32 112.28 2kfp s GLY 55 Ca 0.86 3.53 0.21 0.00 0.00 0.00 0.00 44.72 49.32 2kfp s GLY 55 CO 0.11 2.16 1.45 1.22 0.00 0.00 0.00 173.10 178.03 2kfp n ASP 56 N 2.06 2.71 -4.77 1.64 8.00 -1.26 0.38 116.55 125.31 2kfp n ASP 56 Ca -0.12 -1.90 -0.39 0.00 0.71 0.00 0.00 54.79 53.09 2kfp n ASP 56 Cb 0.57 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 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 -1.57 4.21 0.26 -1.24 -2.85 -1.26 -4.51 119.74 112.78 2kfp s LYS 57 Ca 0.36 1.81 -0.29 0.00 -1.00 0.00 0.00 55.97 56.84 2kfp s LYS 57 Cb 0.20 -2.79 -0.09 0.00 -2.06 0.00 0.00 37.83 33.09 2kfp s LYS 57 CO 0.28 -0.18 0.97 1.03 0.10 0.00 0.00 175.35 177.56 2kfp s ARG 58 N -2.12 4.77 0.12 1.78 0.52 -1.26 0.15 118.95 122.92 2kfp s ARG 58 Ca 0.54 1.54 0.03 0.00 -0.52 0.00 0.00 55.73 57.32 2kfp s ARG 58 Cb -0.30 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 2kfp s ARG 58 CO 0.38 0.42 -0.08 0.14 0.02 0.00 0.00 175.30 176.18 2kfp s VAL 59 N -1.23 0.93 -0.01 3.52 -7.23 -1.03 -4.86 120.40 110.48 2kfp s VAL 59 Ca 0.43 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.39 2kfp s VAL 59 Cb -0.26 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 2kfp s VAL 59 CO 0.33 -0.81 0.62 -1.81 -0.31 0.00 0.00 175.10 173.12 2kfp s ASP 60 N -3.10 6.99 0.05 4.85 1.01 -1.26 -2.26 116.67 122.94 2kfp s ASP 60 Ca 0.14 1.18 0.01 0.00 0.71 0.00 0.00 52.55 54.60 2kfp s ASP 60 Cb 0.04 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 2kfp s ASP 60 CO -0.02 0.06 -0.06 0.68 0.21 0.00 0.00 175.17 176.04 2kfp s VAL 61 N -0.01 0.42 -0.00 -1.27 -7.23 -1.02 -2.14 120.40 109.15 2kfp s VAL 61 Ca 0.33 -1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 59.16 2kfp s VAL 61 Cb -0.18 -0.87 -0.00 0.00 0.56 0.00 0.00 36.38 35.88 2kfp s VAL 61 CO 0.18 -0.60 0.04 0.27 -0.31 0.00 0.00 175.10 174.68 2kfp s ILE 62 N -2.21 0.05 0.28 -0.62 -4.36 -1.07 -2.90 121.20 110.37 2kfp s ILE 62 Ca -0.05 -0.42 -0.28 0.00 -0.26 0.00 0.00 60.65 59.64 2kfp s ILE 62 Cb -0.04 -0.20 -0.09 0.00 1.25 0.00 0.00 42.46 43.37 2kfp s ILE 62 CO -0.02 -0.23 0.95 -1.81 0.24 0.00 0.00 174.94 174.06 2kfp s ASP 63 N -0.71 7.48 -0.08 4.36 1.01 -0.91 -1.87 116.67 125.94 2kfp s ASP 63 Ca -0.08 1.90 0.02 0.00 0.71 0.00 0.00 52.55 55.10 2kfp s ASP 63 Cb -0.05 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.30 2kfp s ASP 63 CO -0.00 0.03 -0.13 -0.22 0.21 0.00 0.00 175.17 175.06 2kfp s LEU 64 N -1.64 1.65 -0.01 1.23 1.98 -0.52 -4.65 118.68 116.73 2kfp s LEU 64 Ca 0.46 -0.35 -0.28 0.00 -2.89 0.00 0.00 54.13 51.07 2kfp s LEU 64 Cb -0.22 -0.94 -0.03 0.00 0.66 0.00 0.00 46.19 45.66 2kfp s LEU 64 CO 0.28 0.02 0.89 -0.75 -1.89 0.00 0.00 176.35 174.90 2kfp s LYS 65 N 0.83 4.53 0.11 1.98 2.20 -1.26 -2.10 119.74 126.04 2kfp s LYS 65 Ca -0.11 1.25 -0.01 0.00 -0.36 0.00 0.00 55.97 56.75 2kfp s LYS 65 Cb -0.15 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2kfp s LYS 65 CO 0.02 0.01 0.02 0.14 -0.36 0.00 0.00 175.35 175.18 2kfp s VAL 66 N 0.86 0.24 0.34 4.02 -7.23 -0.97 -4.49 120.40 113.16 2kfp s VAL 66 Ca 0.47 -1.89 -0.14 0.00 -1.81 0.00 0.00 61.98 58.61 2kfp s VAL 66 Cb -0.20 -1.90 -0.08 0.00 0.56 0.00 0.00 36.38 34.75 2kfp s VAL 66 CO 0.25 -0.62 0.74 -1.10 -0.31 0.00 0.00 175.10 174.05 2kfp s GLN 67 N -3.99 3.95 0.59 4.82 -0.21 -1.26 -4.63 119.66 118.93 2kfp s GLN 67 Ca 0.19 0.62 0.32 0.00 0.02 0.00 0.00 55.36 56.51 2kfp s GLN 67 Cb 0.07 -2.43 1.32 0.00 1.00 0.00 0.00 33.01 32.97 2kfp s GLN 67 CO -0.01 0.12 1.63 -1.35 -2.12 0.00 0.00 175.29 173.56 2kfp h PRO 68 N 2.06 0.00 0.01 2.91 0.11 -1.98 0.49 132.00 135.60 2kfp h PRO 68 Ca -0.48 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.30 2kfp h PRO 68 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 2kfp h PRO 68 CO 0.65 0.00 -2.02 0.39 -0.21 0.00 0.00 178.00 176.81 2kfp n GLU 69 N -3.64 0.66 0.00 1.05 4.71 -1.26 -4.09 120.64 118.08 2kfp n GLU 69 Ca 0.20 0.18 0.14 0.00 -0.01 0.00 0.00 57.16 57.67 2kfp n GLU 69 Cb 1.22 -1.67 0.54 0.00 -1.01 0.00 0.00 31.44 30.52 2kfp n GLU 69 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2kfp n LEU 70 N -2.99 0.81 -0.10 -4.62 4.77 0.14 -3.91 117.00 111.10 2kfp n LEU 70 Ca -0.26 -0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 55.43 2kfp n LEU 70 Cb 1.09 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 42.02 2kfp n LEU 70 CO 0.43 0.15 0.71 1.62 -1.33 0.00 0.00 177.39 178.96 2kfp h VAL 71 N 1.07 1.28 -0.68 4.08 3.04 -0.67 -1.94 116.25 122.44 2kfp h VAL 71 Ca 0.00 -1.12 -0.05 0.00 -1.01 0.00 0.00 66.70 64.52 2kfp h VAL 71 Cb 0.41 1.40 -0.03 0.00 -2.01 0.00 0.00 31.29 31.06 2kfp h VAL 71 CO 0.00 0.36 0.24 1.23 -1.01 0.00 0.00 177.57 178.39 2kfp h GLY 72 N 0.34 1.11 0.87 3.17 0.00 -1.80 0.52 103.07 107.27 2kfp h GLY 72 Ca 0.07 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 2kfp h GLY 72 CO 0.03 0.59 -0.15 0.23 0.00 0.00 0.00 176.54 177.24 2kfp h SER 73 N 0.97 -0.36 -0.29 0.19 0.87 -1.71 0.28 113.55 113.50 2kfp h SER 73 Ca 0.22 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 2kfp h SER 73 Cb 0.25 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2kfp h SER 73 CO -0.01 -0.14 -0.09 0.25 -0.53 0.00 0.00 176.83 176.30 2kfp h LEU 74 N -0.57 0.57 -1.69 2.23 6.46 -1.28 -2.83 115.31 118.20 2kfp h LEU 74 Ca -0.04 -0.38 -0.03 0.00 -0.12 0.00 0.00 57.88 57.31 2kfp h LEU 74 Cb 0.42 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2kfp h LEU 74 CO 0.07 0.82 -0.09 -0.09 -0.62 0.00 0.00 178.44 178.53 2kfp h ARG 75 N 0.32 0.08 -0.12 1.25 2.43 0.08 -1.31 114.38 117.11 2kfp h ARG 75 Ca 0.07 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 2kfp h ARG 75 Cb 0.58 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2kfp h ARG 75 CO 0.03 0.18 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.09 2kfp h LYS 76 N 0.08 0.24 -6.16 0.20 3.11 -0.20 -3.42 116.57 110.41 2kfp h LYS 76 Ca 0.02 -0.10 -0.57 0.00 -2.81 0.00 0.00 60.65 57.18 2kfp h LYS 76 Cb 0.22 -0.01 0.01 0.00 -1.00 0.00 0.00 32.23 31.45 2kfp h LYS 76 CO 0.01 0.57 1.35 1.63 -2.81 0.00 0.00 179.45 180.21 2kfp n LYS 77 N -4.07 2.30 -1.55 1.90 4.76 -0.49 -4.91 118.16 116.10 2kfp n LYS 77 Ca -0.01 0.75 -0.38 0.00 -2.87 0.00 0.00 58.31 55.80 2kfp n LYS 77 Cb 0.44 -3.05 0.04 0.00 -1.84 0.00 0.00 35.03 30.62 2kfp n LYS 77 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2kfp n PRO 78 N 8.05 0.76 0.00 1.97 -0.02 -1.26 -2.83 135.00 141.67 2kfp n PRO 78 Ca 0.26 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2kfp n PRO 78 Cb 0.41 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.91 3.44 -1.23 0.00 -1.26 -4.78 105.19 104.76 2kfp n GLY 79 Ca 0.13 0.00 -0.36 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 -2.38 4.24 0.08 -0.61 1.01 -1.13 -2.71 121.20 119.71 2kfp s ILE 80 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.48 2kfp s ILE 80 Cb 0.00 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2kfp s ILE 80 CO 0.00 0.35 0.09 -0.31 0.00 0.00 0.00 174.94 175.07 2kfp s TYR 81 N 1.59 3.21 0.55 3.97 2.02 -0.53 -4.91 117.35 123.25 2kfp s TYR 81 Ca 0.06 0.08 -0.20 0.00 -0.37 0.00 0.00 57.07 56.65 2kfp s TYR 81 Cb -0.15 -1.62 -0.05 0.00 -0.40 0.00 0.00 41.96 39.74 2kfp s TYR 81 CO 0.03 0.53 1.18 -1.25 -1.57 0.00 0.00 175.55 174.46 2kfp s PRO 82 N -2.45 3.26 0.39 -1.71 0.04 -1.26 -1.53 135.00 131.74 2kfp s PRO 82 Ca 0.30 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 2kfp s PRO 82 Cb -0.12 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 2kfp s PRO 82 CO 0.22 -0.96 1.26 0.00 0.04 0.00 0.00 177.00 177.56 2kfp s ALA 83 N -1.65 3.25 -1.67 8.56 0.00 -1.26 -4.54 121.76 124.45 2kfp s ALA 83 Ca 0.73 1.14 0.28 0.00 0.00 0.00 0.00 51.96 54.11 2kfp s ALA 83 Cb -0.28 -3.45 1.06 0.00 0.00 0.00 0.00 23.12 20.45 2kfp s ALA 83 CO 0.31 -0.70 1.76 2.48 0.00 0.00 0.00 175.76 179.61 2kfp n TYR 84 N 0.20 0.00 -2.66 0.00 0.18 -1.26 -4.79 117.16 108.84 2kfp n TYR 84 Ca 0.03 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.59 2kfp n TYR 84 Cb 0.44 -0.17 0.08 0.00 -0.38 0.00 0.00 39.34 39.31 2kfp n TYR 84 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 2kfp s HIS 85 N -2.49 2.02 0.32 -3.48 2.46 -1.26 -5.08 115.29 107.78 2kfp s HIS 85 Ca 0.27 -0.24 -0.04 0.00 0.47 0.00 0.00 55.06 55.52 2kfp s HIS 85 Cb 0.20 -2.82 0.07 0.00 -0.13 0.00 0.00 32.58 29.90 2kfp s HIS 85 CO 0.49 -1.35 0.16 -1.33 -2.47 0.00 0.00 174.74 170.24 2kfp n MET 86 N -2.59 -0.95 0.00 2.88 2.81 -1.26 -3.80 117.12 114.21 2kfp n MET 86 Ca 0.13 -0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2kfp n MET 86 Cb 0.60 -0.46 0.00 0.00 -0.71 0.00 0.00 33.22 32.66 2kfp n MET 86 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2kfp n ASN 87 N -1.98 0.00 0.00 7.83 3.02 -1.26 -4.71 115.26 118.16 2kfp n ASN 87 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2kfp n ASN 87 Cb 0.11 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.00 0.00 -0.08 3.52 4.81 -1.25 -4.39 118.16 120.77 2kfp n LYS 88 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2kfp n LYS 88 Cb 0.00 -0.10 -0.05 0.00 0.02 0.00 0.00 35.03 34.90 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 0.55 -0.18 1.64 4.39 -1.93 -3.25 114.58 115.80 2kfp h GLU 89 Ca 0.00 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.37 2kfp h GLU 89 Cb 0.00 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2kfp h GLU 89 CO 0.00 0.83 -0.17 0.45 -1.16 0.00 0.00 179.01 178.97 2kfp h HIS 90 N 0.26 0.51 -3.78 4.33 3.86 -1.82 -3.41 115.15 115.10 2kfp h HIS 90 Ca 0.05 -0.15 -0.68 0.00 -1.16 0.00 0.00 60.37 58.43 2kfp h HIS 90 Cb 0.70 -0.11 -0.20 0.00 1.06 0.00 0.00 27.41 28.86 2kfp h HIS 90 CO 0.07 0.79 -0.73 -1.58 0.86 0.00 0.00 177.93 177.34 2kfp s TRP 91 N -4.35 2.80 -0.01 2.45 0.51 -1.23 -2.30 118.94 116.83 2kfp s TRP 91 Ca -0.14 -0.09 0.03 0.00 -2.12 0.00 0.00 56.10 53.79 2kfp s TRP 91 Cb 0.06 -1.62 -0.01 0.00 -0.81 0.00 0.00 33.47 31.10 2kfp s TRP 91 CO 0.77 0.30 -0.10 0.42 -0.51 0.00 0.00 176.95 177.82 2kfp s ILE 92 N -0.88 0.81 -0.05 2.03 -1.09 -0.89 -4.23 121.20 116.90 2kfp s ILE 92 Ca 0.14 -0.44 -0.26 0.00 -2.23 0.00 0.00 60.65 57.86 2kfp s ILE 92 Cb -0.11 -0.68 -0.03 0.00 -1.58 0.00 0.00 42.46 40.06 2kfp s ILE 92 CO 0.04 0.23 0.82 -0.89 -1.23 0.00 0.00 174.94 173.91 2kfp s THR 93 N -0.23 4.96 -0.11 2.92 2.01 -0.58 -1.43 115.64 123.18 2kfp s THR 93 Ca 0.04 1.71 0.01 0.00 0.31 0.00 0.00 61.69 63.76 2kfp s THR 93 Cb -0.04 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 2kfp s THR 93 CO -0.00 0.20 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.28 2kfp s VAL 94 N 0.98 2.90 -0.58 3.82 1.01 -0.78 -1.45 120.40 126.30 2kfp s VAL 94 Ca 0.43 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 2kfp s VAL 94 Cb -0.19 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.06 2kfp s VAL 94 CO 0.22 0.54 0.91 -0.22 0.00 0.00 0.00 175.10 176.55 2kfp s LEU 95 N 0.13 4.28 0.19 3.92 2.96 -1.10 -2.61 118.68 126.46 2kfp s LEU 95 Ca -0.08 -0.61 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 2kfp s LEU 95 Cb -0.15 -2.66 0.10 0.00 0.50 0.00 0.00 46.19 43.98 2kfp s LEU 95 CO 0.05 -1.25 1.65 -0.07 -1.32 0.00 0.00 176.35 175.40 2kfp h LEU 96 N 10.94 1.01 0.00 -0.68 3.38 -1.77 -1.41 115.31 126.79 2kfp h LEU 96 Ca -0.27 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2kfp h LEU 96 Cb 1.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2kfp h LEU 96 CO 1.10 1.08 0.00 0.59 0.09 0.00 0.00 178.44 181.30 2kfp n ASN 97 N -4.17 0.00 -2.12 -0.43 3.02 -1.25 -4.60 115.26 105.71 2kfp n ASN 97 Ca 0.03 -1.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 2kfp n ASN 97 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2kfp n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kfp n GLY 98 N 0.43 -0.02 0.01 7.41 0.00 -0.53 -4.95 105.19 107.55 2kfp n GLY 98 Ca 0.04 -1.76 0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.14 0.64 -1.73 1.61 -0.04 -1.26 -4.88 135.00 129.20 2kfp n PRO 99 Ca 0.00 -0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 2kfp n PRO 99 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.15 4.13 -4.89 1.53 7.99 -1.26 -4.97 117.00 118.37 2kfp n LEU 100 Ca 0.17 1.10 -0.29 0.00 -0.01 0.00 0.00 56.01 56.99 2kfp n LEU 100 Cb 0.20 -1.58 0.01 0.00 -0.11 0.00 0.00 43.42 41.95 2kfp n LEU 100 CO 0.21 0.15 0.58 -0.83 -1.51 0.00 0.00 177.39 176.00 2kfp s GLY 101 N 0.86 1.58 0.19 -0.72 0.00 -1.26 -4.49 107.32 103.48 2kfp s GLY 101 Ca 0.70 -0.40 -0.10 0.00 0.00 0.00 0.00 44.72 44.93 2kfp s GLY 101 CO 0.40 -0.15 1.72 0.00 0.00 0.00 0.00 173.10 175.06 2kfp h ALA 102 N -0.13 0.88 -0.13 3.20 0.00 -1.96 -1.25 119.26 119.87 2kfp h ALA 102 Ca -0.45 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.07 2kfp h ALA 102 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2kfp h ALA 102 CO 0.62 0.56 -0.62 1.57 0.00 0.00 0.00 179.25 181.38 2kfp h LYS 103 N 0.98 0.46 -0.51 0.00 2.10 -2.00 -2.52 116.57 115.09 2kfp h LYS 103 Ca 0.22 -0.32 -0.06 0.00 -2.00 0.00 0.00 60.65 58.48 2kfp h LYS 103 Cb 0.30 0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.66 2kfp h LYS 103 CO -0.01 0.94 0.08 1.49 -2.00 0.00 0.00 179.45 179.95 2kfp h GLU 104 N 0.34 0.84 -0.50 0.07 4.81 -1.86 -2.56 114.58 115.73 2kfp h GLU 104 Ca -0.01 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 2kfp h GLU 104 Cb 1.16 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2kfp h GLU 104 CO 0.11 0.83 0.11 0.82 -0.73 0.00 0.00 179.01 180.15 2kfp h ILE 105 N 0.72 1.24 -0.57 2.32 2.04 -1.19 -2.71 117.51 119.36 2kfp h ILE 105 Ca 0.15 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.20 2kfp h ILE 105 Cb 0.40 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 2kfp h ILE 105 CO 0.01 0.31 0.29 -0.74 0.00 0.00 0.00 178.15 178.02 2kfp h HIS 106 N 0.68 0.53 -0.58 1.37 2.76 -1.25 0.20 115.15 118.87 2kfp h HIS 106 Ca 0.15 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2kfp h HIS 106 Cb 0.35 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 2kfp h HIS 106 CO 0.02 0.25 0.32 0.77 -1.30 0.00 0.00 177.93 177.99 2kfp h SER 107 N 0.55 0.71 -0.68 3.26 0.02 -1.31 -0.93 113.55 115.16 2kfp h SER 107 Ca 0.26 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2kfp h SER 107 Cb 0.18 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2kfp h SER 107 CO -0.18 0.59 0.22 -0.07 -1.14 0.00 0.00 176.83 176.25 2kfp h LEU 108 N 0.78 0.99 -0.62 5.07 3.38 -1.06 -2.59 115.31 121.26 2kfp h LEU 108 Ca 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2kfp h LEU 108 Cb 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2kfp h LEU 108 CO -0.03 0.94 0.27 0.40 0.09 0.00 0.00 178.44 180.10 2kfp h ILE 109 N 1.00 1.23 -0.83 1.22 2.04 -0.59 -2.27 117.51 119.31 2kfp h ILE 109 Ca 0.22 -0.69 0.15 0.00 1.00 0.00 0.00 64.86 65.54 2kfp h ILE 109 Cb 0.29 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 36.80 2kfp h ILE 109 CO -0.01 0.27 0.41 -0.08 0.00 0.00 0.00 178.15 178.75 2kfp h GLU 110 N 0.86 0.57 -0.79 2.37 4.81 -0.80 0.19 114.58 121.81 2kfp h GLU 110 Ca 0.21 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2kfp h GLU 110 Cb 0.18 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 2kfp h GLU 110 CO -0.02 0.38 0.39 -0.44 -0.73 0.00 0.00 179.01 178.59 2kfp h ASP 111 N 0.59 1.02 -0.43 1.04 3.32 -1.18 -2.12 116.42 118.66 2kfp h ASP 111 Ca 0.45 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 2kfp h ASP 111 Cb 0.65 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2kfp h ASP 111 CO -0.37 0.86 0.07 -1.28 -1.72 0.00 0.00 179.24 176.80 2kfp h SER 112 N 1.10 0.75 -0.73 6.45 0.87 -0.39 -2.72 113.55 118.88 2kfp h SER 112 Ca 0.27 -0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2kfp h SER 112 Cb 0.10 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 61.81 2kfp h SER 112 CO -0.04 0.77 0.45 0.15 -0.53 0.00 0.00 176.83 177.63 2kfp h PHE 113 N 0.76 0.83 -0.64 2.24 3.57 -0.23 -1.76 116.94 121.72 2kfp h PHE 113 Ca 0.16 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.77 2kfp h PHE 113 Cb 0.36 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 2kfp h PHE 113 CO 0.02 0.46 0.27 1.96 -2.23 0.00 0.00 178.31 178.79 2kfp h GLN 114 N 0.86 0.46 -0.54 1.11 4.20 -1.22 1.76 115.11 121.74 2kfp h GLN 114 Ca 0.30 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.88 2kfp h GLN 114 Cb 0.06 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2kfp h GLN 114 CO -0.13 0.31 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.19 2kfp h LEU 115 N 0.48 0.98 -1.64 1.46 4.07 -1.43 -2.56 115.31 116.67 2kfp h LEU 115 Ca 0.32 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2kfp h LEU 115 Cb 0.36 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.84 2kfp h LEU 115 CO -0.29 1.08 0.00 0.35 -1.08 0.00 0.00 178.44 178.50 2kfp n THR 116 N -4.16 0.47 -1.75 0.22 -2.24 -0.55 -4.94 114.28 101.33 2kfp n THR 116 Ca 0.02 -0.56 -0.39 0.00 -2.27 0.00 0.00 64.05 60.85 2kfp n THR 116 Cb 0.38 0.46 0.03 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.81 1.98 -2.44 -0.78 0.63 0.59 -4.94 116.66 112.51 2kfp n ARG 117 Ca 0.17 0.71 -0.38 0.00 -0.92 0.00 0.00 57.85 57.43 2kfp n ARG 117 Cb 0.41 -2.61 -0.03 0.00 0.45 0.00 0.00 32.46 30.68 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 -3.09 4.21 -0.31 6.15 1.43 -1.26 -5.01 118.68 120.80 2kfp s LEU 118 Ca 0.67 2.19 -0.07 0.00 -1.03 0.00 0.00 54.13 55.89 2kfp s LEU 118 Cb -0.43 -4.05 0.19 0.00 0.03 0.00 0.00 46.19 41.93 2kfp s LEU 118 CO 0.53 -0.52 0.95 -0.70 0.23 0.00 0.00 176.35 176.84 2kfp s GLU 119 N -2.28 0.27 0.02 1.70 2.12 -1.26 -5.16 118.70 114.09 2kfp s GLU 119 Ca 0.56 0.12 0.01 0.00 0.36 0.00 0.00 54.97 56.02 2kfp s GLU 119 Cb -0.27 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.19 2kfp s GLU 119 CO 0.34 -0.45 -0.04 -1.01 -0.54 0.00 0.00 175.26 173.55 2kfp s HIS 120 N 2.61 0.36 0.21 5.30 3.76 -1.26 -5.10 115.29 121.17 2kfp s HIS 120 Ca 0.21 -0.28 0.11 0.00 -0.15 0.00 0.00 55.06 54.94 2kfp s HIS 120 Cb -0.02 -0.23 -0.05 0.00 1.11 0.00 0.00 32.58 33.39 2kfp s HIS 120 CO -0.20 -0.07 -0.21 -1.01 -0.85 0.00 0.00 174.74 172.40 2kfp s HIS 121 N -0.75 2.13 0.15 1.40 3.76 -0.82 -5.04 115.29 116.11 2kfp s HIS 121 Ca -0.06 -0.40 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 2kfp s HIS 121 Cb -0.06 -1.01 0.02 0.00 1.11 0.00 0.00 32.58 32.64 2kfp s HIS 121 CO -0.00 0.51 1.76 0.45 -0.85 0.00 0.00 174.74 176.60 2kfp h HIS 122 N 2.89 0.60 -0.30 1.40 3.86 -2.02 -2.91 115.15 118.67 2kfp h HIS 122 Ca -0.43 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 58.70 2kfp h HIS 122 Cb 1.22 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2kfp h HIS 122 CO 0.72 0.46 -0.06 1.25 0.86 0.00 0.00 177.93 181.16 2kfp h HIS 123 N 0.57 0.64 -3.55 2.45 -0.00 -2.07 -3.40 115.15 109.80 2kfp h HIS 123 Ca 0.15 -0.13 -0.66 0.00 -0.00 0.00 0.00 60.37 59.73 2kfp h HIS 123 Cb 0.06 -0.16 -0.26 0.00 -0.00 0.00 0.00 27.41 27.05 2kfp h HIS 123 CO -0.02 0.75 -0.66 -1.01 -0.00 0.00 0.00 177.93 176.99 2kfp s HIS 124 N -4.81 3.07 0.00 5.26 4.02 -1.10 -5.28 115.29 116.46 2kfp s HIS 124 Ca -0.13 -0.88 0.00 0.00 1.02 0.00 0.00 55.06 55.07 2kfp s HIS 124 Cb 0.08 -2.19 0.00 0.00 -1.02 0.00 0.00 32.58 29.45 2kfp s HIS 124 CO 0.78 -0.53 0.00 -2.39 1.02 0.00 0.00 174.74 173.62