#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ikm n LEU 5 N 0.00 -6.70 0.00 4.31 -0.00 -1.26 -4.70 117.00 108.65 1ikm n LEU 5 Ca 0.00 0.96 -0.13 0.00 -0.00 0.00 0.00 56.01 56.84 1ikm n LEU 5 Cb 0.00 -2.85 0.11 0.00 -0.00 0.00 0.00 43.42 40.68 1ikm n LEU 5 CO 0.00 -2.36 0.24 -2.11 -0.00 0.00 0.00 177.39 173.16 1ikm n ARG 6 N 0.34 -2.25 -1.86 1.96 1.85 -1.26 -4.69 116.66 110.75 1ikm n ARG 6 Ca 0.02 -0.73 -0.42 0.00 -1.00 0.00 0.00 57.85 55.72 1ikm n ARG 6 Cb 0.08 -0.74 -0.03 0.00 -1.05 0.00 0.00 32.46 30.73 1ikm n ARG 6 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ikm n GLN 8 N 7.32 0.67 -4.02 0.00 10.64 -1.26 -4.53 117.38 126.19 1ikm n GLN 8 Ca 0.18 0.02 -0.31 0.00 -1.83 0.00 0.00 57.00 55.06 1ikm n GLN 8 Cb 0.42 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 28.15 1ikm n GLN 8 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ikm h ILE 10 N 6.67 1.34 -2.29 0.00 2.04 -2.02 -3.44 117.51 119.80 1ikm h ILE 10 Ca -0.11 -1.67 -0.57 0.00 1.00 0.00 0.00 64.86 63.52 1ikm h ILE 10 Cb 1.03 1.81 -0.14 0.00 -0.74 0.00 0.00 36.82 38.78 1ikm h ILE 10 CO 0.49 0.49 -0.70 -0.54 0.00 0.00 0.00 178.15 177.89 1ikm s LYS 11 N -4.00 1.66 0.00 2.37 1.02 -1.26 -5.16 119.74 114.37 1ikm s LYS 11 Ca -0.04 -1.82 0.00 0.00 0.02 0.00 0.00 55.97 54.13 1ikm s LYS 11 Cb 0.13 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1ikm s LYS 11 CO 0.77 0.17 0.00 0.25 -0.92 0.00 0.00 175.35 175.62 1ikm n THR 12 N -0.65 0.00 -3.96 2.17 -2.24 -1.26 -4.70 114.28 103.64 1ikm n THR 12 Ca -0.05 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 1ikm n THR 12 Cb 0.62 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.72 1ikm n THR 12 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ikm s TYR 13 N -1.14 2.99 -0.16 4.78 5.04 0.27 -4.87 117.35 124.26 1ikm s TYR 13 Ca 0.00 -0.72 0.17 0.00 -2.44 0.00 0.00 57.07 54.08 1ikm s TYR 13 Cb 0.00 -2.11 -0.25 0.00 0.35 0.00 0.00 41.96 39.95 1ikm s TYR 13 CO 0.00 -0.42 0.23 0.45 -1.34 0.00 0.00 175.55 174.47 1ikm n SER 14 N 4.63 0.22 -4.74 4.32 2.88 -1.26 -2.77 113.62 116.90 1ikm n SER 14 Ca -0.18 0.10 -0.41 0.00 -1.33 0.00 0.00 58.87 57.06 1ikm n SER 14 Cb 0.51 0.77 -0.05 0.00 -0.75 0.00 0.00 64.21 64.69 1ikm n SER 14 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ikm s LYS 15 N -2.55 4.68 0.57 -1.46 -0.14 -1.26 -5.03 119.74 114.55 1ikm s LYS 15 Ca -0.09 1.65 -0.08 0.00 -1.36 0.00 0.00 55.97 56.09 1ikm s LYS 15 Cb 0.07 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.91 1ikm s LYS 15 CO 0.83 0.24 0.93 -1.25 -0.76 0.00 0.00 175.35 175.34 1ikm s PRO 16 N -0.78 3.53 0.03 -1.68 0.04 -1.26 -5.07 135.00 129.81 1ikm s PRO 16 Ca 0.46 0.49 -0.27 0.00 0.04 0.00 0.00 61.00 61.72 1ikm s PRO 16 Cb -0.28 -2.20 0.08 0.00 0.04 0.00 0.00 34.50 32.13 1ikm s PRO 16 CO 0.35 -0.44 0.72 -0.59 0.04 0.00 0.00 177.00 177.07 1ikm s PHE 17 N -3.00 -0.53 0.33 0.56 -0.71 -1.26 -5.14 117.98 108.23 1ikm s PHE 17 Ca 0.52 0.59 -0.29 0.00 -1.04 0.00 0.00 56.93 56.71 1ikm s PHE 17 Cb -0.11 0.50 -0.11 0.00 -1.21 0.00 0.00 43.02 42.09 1ikm s PHE 17 CO 0.50 -0.67 1.45 -1.58 -1.34 0.00 0.00 175.22 173.58 1ikm s HIS 18 N -2.57 2.78 0.02 3.49 5.65 -1.26 -4.96 115.29 118.45 1ikm s HIS 18 Ca -0.02 1.15 -0.18 0.00 0.25 0.00 0.00 55.06 56.25 1ikm s HIS 18 Cb -0.01 -3.92 -0.25 0.00 -1.18 0.00 0.00 32.58 27.22 1ikm s HIS 18 CO -0.04 -2.77 1.10 -1.00 -0.65 0.00 0.00 174.74 171.38 1ikm h PRO 19 N 3.67 0.49 -0.22 2.88 0.13 -1.97 -3.32 132.00 133.66 1ikm h PRO 19 Ca -0.49 -0.56 0.06 0.00 -0.87 0.00 0.00 66.00 64.14 1ikm h PRO 19 Cb 1.23 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1ikm h PRO 19 CO 0.69 1.20 0.41 -0.22 -0.23 0.00 0.00 178.00 179.85 1ikm h LYS 20 N 0.02 0.00 -0.76 0.86 3.64 -1.98 0.30 116.57 118.65 1ikm h LYS 20 Ca -0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1ikm h LYS 20 Cb 1.50 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.29 1ikm h LYS 20 CO 0.15 0.00 0.38 0.74 -2.27 0.00 0.00 179.45 178.46 1ikm h PHE 21 N 0.00 1.06 -2.34 1.91 0.04 -1.98 -3.41 116.94 112.23 1ikm h PHE 21 Ca 0.10 -0.04 -0.54 0.00 2.80 0.00 0.00 57.97 60.30 1ikm h PHE 21 Cb 0.93 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 38.76 1ikm h PHE 21 CO 0.00 0.76 1.26 0.42 -0.60 0.00 0.00 178.31 180.15 1ikm s ILE 22 N -5.65 3.06 -0.11 -0.55 1.01 0.11 -1.85 121.20 117.23 1ikm s ILE 22 Ca -0.11 0.07 0.14 0.00 0.00 0.00 0.00 60.65 60.75 1ikm s ILE 22 Cb 0.17 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1ikm s ILE 22 CO 0.81 -0.01 1.19 0.50 0.00 0.00 0.00 174.94 177.43 1ikm h LYS 23 N 11.19 0.00 -4.53 2.79 3.64 -1.18 -3.46 116.57 125.02 1ikm h LYS 23 Ca -0.48 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.52 1ikm h LYS 23 Cb 1.23 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 1ikm h LYS 23 CO 0.95 0.49 -0.33 -1.21 -2.27 0.00 0.00 179.45 177.08 1ikm s GLU 24 N -2.91 1.88 0.00 1.90 0.41 -1.20 -4.98 118.70 113.80 1ikm s GLU 24 Ca 0.01 -1.92 0.00 0.00 -0.41 0.00 0.00 54.97 52.65 1ikm s GLU 24 Cb 0.08 0.39 0.00 0.00 -1.78 0.00 0.00 34.13 32.82 1ikm s GLU 24 CO 0.78 -0.74 0.00 2.89 -0.49 0.00 0.00 175.26 177.70 1ikm n ARG 26 N -0.61 0.00 -3.45 1.61 1.85 -0.46 -1.26 116.66 114.34 1ikm n ARG 26 Ca 0.04 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.56 1ikm n ARG 26 Cb 0.62 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.97 1ikm n ARG 26 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1ikm s VAL 27 N 0.00 4.96 -0.07 8.89 -7.23 -1.26 -1.53 120.40 124.16 1ikm s VAL 27 Ca 0.00 0.51 -0.15 0.00 -1.81 0.00 0.00 61.98 60.53 1ikm s VAL 27 Cb 0.00 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.24 1ikm s VAL 27 CO 0.00 0.07 0.40 -0.63 -0.31 0.00 0.00 175.10 174.62 1ikm s ILE 28 N -1.66 5.14 1.01 -0.62 -1.09 0.89 -4.90 121.20 119.97 1ikm s ILE 28 Ca 0.42 0.80 -0.13 0.00 -2.23 0.00 0.00 60.65 59.51 1ikm s ILE 28 Cb -0.13 -3.72 0.19 0.00 -1.58 0.00 0.00 42.46 37.23 1ikm s ILE 28 CO 0.21 0.47 1.11 -1.83 -1.23 0.00 0.00 174.94 173.67 1ikm s GLU 29 N -0.29 0.31 0.24 2.79 -1.05 -1.26 -3.54 118.70 115.90 1ikm s GLU 29 Ca 0.23 0.34 0.08 0.00 -0.15 0.00 0.00 54.97 55.47 1ikm s GLU 29 Cb -0.15 -1.74 -0.04 0.00 -0.44 0.00 0.00 34.13 31.76 1ikm s GLU 29 CO 0.10 -2.77 0.07 -1.54 0.95 0.00 0.00 175.26 172.07 1ikm s SER 30 N -3.68 4.93 0.00 0.83 1.04 -1.26 -4.75 113.70 110.80 1ikm s SER 30 Ca 0.66 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1ikm s SER 30 Cb -0.16 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.89 1ikm s SER 30 CO 0.56 0.00 0.00 0.61 0.98 0.00 0.00 173.24 175.40 1ikm n GLY 31 N -0.86 -0.81 0.19 7.32 0.00 -0.18 -4.96 105.19 105.89 1ikm n GLY 31 Ca -0.07 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1ikm n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ikm h PRO 32 N 0.00 0.52 -0.65 1.61 0.13 -1.97 -3.02 132.00 128.63 1ikm h PRO 32 Ca 0.00 -0.44 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 1ikm h PRO 32 Cb 0.00 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.19 1ikm h PRO 32 CO 0.00 1.07 0.43 1.12 -0.23 0.00 0.00 178.00 180.39 1ikm h HIS 33 N 0.35 0.71 -1.70 1.56 2.07 -1.87 -3.41 115.15 112.86 1ikm h HIS 33 Ca -0.04 0.02 0.02 0.00 -2.85 0.00 0.00 60.37 57.51 1ikm h HIS 33 Cb 1.36 -0.24 -0.23 0.00 2.57 0.00 0.00 27.41 30.88 1ikm h HIS 33 CO 0.06 0.40 -0.27 0.00 -3.07 0.00 0.00 177.93 175.04 1ikm h ALA 35 N 8.06 0.53 -2.71 0.00 0.00 -1.77 -0.45 119.26 122.92 1ikm h ALA 35 Ca -0.20 -0.32 -0.51 0.00 0.00 0.00 0.00 54.91 53.89 1ikm h ALA 35 Cb 1.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1ikm h ALA 35 CO 0.19 0.41 0.29 -0.80 0.00 0.00 0.00 179.25 179.34 1ikm s ASN 36 N -6.38 7.54 0.31 0.00 0.01 -1.26 -4.58 114.94 110.57 1ikm s ASN 36 Ca -0.13 1.82 -0.18 0.00 -0.71 0.00 0.00 52.86 53.66 1ikm s ASN 36 Cb 0.10 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 39.10 1ikm s ASN 36 CO 0.82 0.14 0.78 -0.89 -1.51 0.00 0.00 177.10 176.43 1ikm s THR 37 N -0.95 4.57 0.01 1.60 2.01 -1.26 -4.82 115.64 116.79 1ikm s THR 37 Ca 0.40 1.19 0.02 0.00 0.31 0.00 0.00 61.69 63.61 1ikm s THR 37 Cb -0.25 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1ikm s THR 37 CO 0.30 -0.07 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.40 1ikm s GLU 38 N -2.65 0.46 0.30 4.92 2.56 -1.23 -4.81 118.70 118.25 1ikm s GLU 38 Ca 0.52 -0.32 0.00 0.00 0.00 0.00 0.00 54.97 55.17 1ikm s GLU 38 Cb -0.13 -0.40 -0.04 0.00 2.00 0.00 0.00 34.13 35.57 1ikm s GLU 38 CO 0.18 0.10 0.50 0.42 -0.56 0.00 0.00 175.26 175.90 1ikm s ILE 39 N -0.40 5.13 -0.30 -3.70 1.01 -1.15 -0.08 121.20 121.72 1ikm s ILE 39 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1ikm s ILE 39 Cb -0.04 -3.83 0.15 0.00 0.01 0.00 0.00 42.46 38.75 1ikm s ILE 39 CO -0.00 -0.44 0.35 -0.63 0.00 0.00 0.00 174.94 174.22 1ikm s ILE 40 N -2.17 -0.48 0.42 2.92 1.01 -0.58 -2.00 121.20 120.32 1ikm s ILE 40 Ca 0.39 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.59 1ikm s ILE 40 Cb -0.10 -0.94 -0.00 0.00 0.01 0.00 0.00 42.46 41.43 1ikm s ILE 40 CO 0.33 -0.41 0.61 0.68 0.00 0.00 0.00 174.94 176.15 1ikm s VAL 41 N 2.31 3.88 -0.35 2.92 -7.23 -0.98 -1.35 120.40 119.59 1ikm s VAL 41 Ca 0.10 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1ikm s VAL 41 Cb -0.13 -3.40 0.11 0.00 0.56 0.00 0.00 36.38 33.52 1ikm s VAL 41 CO -0.28 -0.24 0.15 -0.54 -0.31 0.00 0.00 175.10 173.88 1ikm s LYS 42 N -4.44 0.89 0.51 4.82 1.02 -0.39 -2.45 119.74 119.70 1ikm s LYS 42 Ca 0.48 -1.39 -0.21 0.00 0.02 0.00 0.00 55.97 54.87 1ikm s LYS 42 Cb -0.10 -2.07 -0.08 0.00 -0.52 0.00 0.00 37.83 35.06 1ikm s LYS 42 CO 0.36 -1.06 0.91 1.28 -0.92 0.00 0.00 175.35 175.91 1ikm n LEU 43 N 4.38 2.63 0.29 3.17 4.77 -0.11 -0.75 117.00 131.38 1ikm n LEU 43 Ca 0.02 0.90 0.18 0.00 -0.03 0.00 0.00 56.01 57.09 1ikm n LEU 43 Cb 0.39 -1.33 0.98 0.00 -2.33 0.00 0.00 43.42 41.13 1ikm n LEU 43 CO 0.16 -1.89 1.15 -1.28 -1.33 0.00 0.00 177.39 174.20 1ikm h SER 44 N 0.95 0.00 0.00 -1.43 0.87 -1.69 -0.75 113.55 111.51 1ikm h SER 44 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1ikm h SER 44 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1ikm h SER 44 CO 0.53 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 177.30 1ikm n ASP 45 N -3.46 0.00 -0.14 6.23 8.00 -1.26 -4.80 116.55 121.11 1ikm n ASP 45 Ca -0.01 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 53.85 1ikm n ASP 45 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1ikm n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ikm n GLY 46 N 0.38 0.67 3.69 0.44 0.00 -0.30 -5.07 105.19 105.01 1ikm n GLY 46 Ca 0.02 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 1ikm n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ikm s ARG 47 N -3.95 2.44 -0.12 1.61 6.06 -1.12 -4.95 118.95 118.92 1ikm s ARG 47 Ca 0.00 -1.35 -0.02 0.00 -2.50 0.00 0.00 55.73 51.86 1ikm s ARG 47 Cb 0.00 -2.25 0.04 0.00 0.06 0.00 0.00 34.95 32.80 1ikm s ARG 47 CO 0.00 0.34 -0.00 -2.00 -2.50 0.00 0.00 175.30 171.14 1ikm s GLU 48 N -3.73 0.83 -0.10 5.12 2.12 -1.26 -0.93 118.70 120.74 1ikm s GLU 48 Ca 0.32 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.51 1ikm s GLU 48 Cb -0.06 -1.50 0.01 0.00 0.26 0.00 0.00 34.13 32.84 1ikm s GLU 48 CO 0.21 -0.41 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.85 1ikm s LEU 49 N 1.87 1.75 0.05 2.70 1.02 -1.03 -5.00 118.68 120.05 1ikm s LEU 49 Ca 0.03 -0.42 -0.27 0.00 0.02 0.00 0.00 54.13 53.49 1ikm s LEU 49 Cb -0.14 -1.08 -0.05 0.00 0.02 0.00 0.00 46.19 44.94 1ikm s LEU 49 CO -0.07 0.04 0.83 0.00 0.02 0.00 0.00 176.35 177.17 1ikm s LEU 51 N 0.10 4.25 -0.29 0.00 1.02 -0.85 0.94 118.68 123.86 1ikm s LEU 51 Ca 0.42 0.25 -0.07 0.00 0.02 0.00 0.00 54.13 54.74 1ikm s LEU 51 Cb -0.21 -3.03 -0.00 0.00 0.02 0.00 0.00 46.19 42.97 1ikm s LEU 51 CO 0.25 -0.06 0.09 -0.62 0.02 0.00 0.00 176.35 176.03 1ikm s ASP 52 N -3.56 5.18 0.00 2.29 2.15 -1.11 -2.91 116.67 118.71 1ikm s ASP 52 Ca 0.36 -0.58 0.14 0.00 0.43 0.00 0.00 52.55 52.90 1ikm s ASP 52 Cb -0.10 -1.91 0.66 0.00 -0.30 0.00 0.00 42.92 41.27 1ikm s ASP 52 CO 0.30 -0.16 1.42 -0.81 -0.17 0.00 0.00 175.17 175.75 1ikm n PRO 53 N 4.90 0.10 0.22 4.34 -0.04 -1.26 -2.89 135.00 140.36 1ikm n PRO 53 Ca -0.15 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 1ikm n PRO 53 Cb 0.49 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 33.00 1ikm n PRO 53 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ikm h LYS 54 N 0.00 0.06 -7.62 0.54 3.11 -1.96 -3.43 116.57 107.27 1ikm h LYS 54 Ca 0.00 -0.01 -0.47 0.00 -2.81 0.00 0.00 60.65 57.37 1ikm h LYS 54 Cb 0.19 -0.01 0.10 0.00 -1.00 0.00 0.00 32.23 31.51 1ikm h LYS 54 CO 0.00 0.13 0.40 -1.21 -2.81 0.00 0.00 179.45 175.96 1ikm s GLU 55 N -4.89 1.87 0.04 1.90 8.01 -1.14 -4.99 118.70 119.50 1ikm s GLU 55 Ca -0.05 0.05 0.22 0.00 0.01 0.00 0.00 54.97 55.21 1ikm s GLU 55 Cb 0.16 -1.95 -0.09 0.00 -4.31 0.00 0.00 34.13 27.94 1ikm s GLU 55 CO 0.69 -1.65 0.87 0.09 0.01 0.00 0.00 175.26 175.27 1ikm n ASN 56 N -3.34 0.53 0.09 -0.19 4.13 -1.26 -3.86 115.26 111.36 1ikm n ASN 56 Ca 0.09 -0.19 -0.19 0.00 1.68 0.00 0.00 54.58 55.96 1ikm n ASN 56 Cb 0.61 1.09 -0.15 0.00 -1.54 0.00 0.00 39.78 39.80 1ikm n ASN 56 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 1ikm h TRP 57 N 0.00 0.63 -0.47 3.10 5.08 -1.94 -1.91 115.95 120.44 1ikm h TRP 57 Ca 0.00 -0.46 -0.06 0.00 1.08 0.00 0.00 58.89 59.45 1ikm h TRP 57 Cb 0.80 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 26.92 1ikm h TRP 57 CO 0.00 1.45 0.05 0.28 -1.28 0.00 0.00 178.44 178.94 1ikm h VAL 58 N 0.09 1.25 0.00 0.12 2.07 -1.81 0.75 116.25 118.73 1ikm h VAL 58 Ca -0.24 -0.97 -0.13 0.00 0.82 0.00 0.00 66.70 66.18 1ikm h VAL 58 Cb 2.06 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1ikm h VAL 58 CO 0.20 0.34 -0.61 0.06 0.02 0.00 0.00 177.57 177.58 1ikm h GLN 59 N 0.66 0.00 0.20 1.57 3.07 -1.67 -0.84 115.11 118.10 1ikm h GLN 59 Ca 0.14 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.59 1ikm h GLN 59 Cb 0.43 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.03 1ikm h GLN 59 CO 0.01 0.61 -1.26 0.00 0.09 0.00 0.00 178.83 178.28 1ikm h ARG 60 N 0.00 0.50 -0.64 0.06 3.08 -1.04 -2.31 114.38 114.04 1ikm h ARG 60 Ca -0.01 -0.81 -0.04 0.00 0.07 0.00 0.00 59.98 59.19 1ikm h ARG 60 Cb 1.16 0.29 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 1ikm h ARG 60 CO 0.08 1.38 0.23 0.28 -1.07 0.00 0.00 179.97 180.87 1ikm h VAL 61 N 0.05 1.24 -0.27 2.04 2.07 0.56 0.11 116.25 122.05 1ikm h VAL 61 Ca -0.21 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 1ikm h VAL 61 Cb 1.98 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1ikm h VAL 61 CO 0.24 0.31 -0.31 0.58 0.02 0.00 0.00 177.57 178.40 1ikm h VAL 62 N 0.91 1.28 -0.12 2.57 2.07 -1.21 -0.71 116.25 121.04 1ikm h VAL 62 Ca 0.21 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.23 1ikm h VAL 62 Cb 0.25 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1ikm h VAL 62 CO -0.01 0.45 -0.24 -0.33 0.02 0.00 0.00 177.57 177.46 1ikm h GLU 63 N 0.48 0.38 -0.28 1.57 3.07 -0.98 0.16 114.58 118.97 1ikm h GLU 63 Ca 0.06 -0.24 -0.07 0.00 -0.50 0.00 0.00 59.36 58.60 1ikm h GLU 63 Cb 0.78 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 1ikm h GLU 63 CO 0.06 0.84 -0.13 -0.22 -1.40 0.00 0.00 179.01 178.17 1ikm h LYS 64 N -0.04 0.48 0.12 2.33 3.64 -0.74 0.14 116.57 122.50 1ikm h LYS 64 Ca 0.00 -0.14 -0.24 0.00 -1.27 0.00 0.00 60.65 59.01 1ikm h LYS 64 Cb 0.83 -0.05 0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1ikm h LYS 64 CO 0.05 0.61 -1.01 0.35 -2.27 0.00 0.00 179.45 177.18 1ikm h PHE 65 N 0.45 0.79 -0.15 1.91 3.57 -1.09 -3.35 116.94 119.07 1ikm h PHE 65 Ca 0.08 -0.51 -0.14 0.00 3.53 0.00 0.00 57.97 60.93 1ikm h PHE 65 Cb 0.49 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1ikm h PHE 65 CO 0.02 1.37 -0.44 1.25 -2.23 0.00 0.00 178.31 178.27 1ikm h LEU 66 N -0.02 0.65 -8.60 0.59 5.85 -0.58 -3.41 115.31 109.78 1ikm h LEU 66 Ca -0.16 -0.60 -0.51 0.00 0.84 0.00 0.00 57.88 57.46 1ikm h LEU 66 Cb 1.74 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.56 1ikm h LEU 66 CO 0.19 1.13 1.41 -0.75 -0.34 0.00 0.00 178.44 180.08 1ikm s LYS 67 N -3.86 2.66 0.01 1.25 2.36 0.47 -4.83 119.74 117.79 1ikm s LYS 67 Ca -0.13 0.99 -0.02 0.00 -2.55 0.00 0.00 55.97 54.27 1ikm s LYS 67 Cb 0.06 -4.39 0.01 0.00 -1.05 0.00 0.00 37.83 32.45 1ikm s LYS 67 CO 0.83 -2.67 0.07 0.54 1.55 0.00 0.00 175.35 175.67 1ikm n ARG 68 N 8.99 0.04 -1.95 4.03 1.74 -1.26 -4.87 116.66 123.36 1ikm n ARG 68 Ca 0.25 -0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 1ikm n ARG 68 Cb 0.51 0.12 -0.03 0.00 -1.02 0.00 0.00 32.46 32.05 1ikm n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ikm s ALA 69 N -1.07 3.25 -0.15 7.54 0.00 -1.26 -4.86 121.76 125.21 1ikm s ALA 69 Ca 0.02 0.68 -0.13 0.00 0.00 0.00 0.00 51.96 52.52 1ikm s ALA 69 Cb -0.00 -3.88 -0.06 0.00 0.00 0.00 0.00 23.12 19.18 1ikm s ALA 69 CO 0.00 -2.00 -0.28 0.39 0.00 0.00 0.00 175.76 173.87 1ikm n GLU 70 N 7.80 0.43 -3.74 0.00 1.02 -1.26 -5.08 120.64 119.81 1ikm n GLU 70 Ca 0.21 0.18 -0.12 0.00 -0.02 0.00 0.00 57.16 57.40 1ikm n GLU 70 Cb 0.44 -1.24 -0.07 0.00 -0.02 0.00 0.00 31.44 30.55 1ikm n GLU 70 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1ikm s ASN 71 N -6.20 -0.17 0.00 1.62 2.47 -1.26 -5.31 114.94 106.10 1ikm s ASN 71 Ca -0.25 -0.11 0.00 0.00 0.42 0.00 0.00 52.86 52.92 1ikm s ASN 71 Cb 0.05 0.37 0.00 0.00 -1.45 0.00 0.00 41.25 40.22 1ikm s ASN 71 CO 0.35 -0.60 0.00 -1.20 -3.72 0.00 0.00 177.10 171.93