#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ikm s LEU 5 N 0.00 -0.36 1.23 -4.62 0.05 -1.26 -5.10 118.68 108.63 1ikm s LEU 5 Ca 0.00 1.18 -0.19 0.00 0.05 0.00 0.00 54.13 55.17 1ikm s LEU 5 Cb 0.00 1.91 0.30 0.00 -2.05 0.00 0.00 46.19 46.34 1ikm s LEU 5 CO 0.00 -0.21 1.06 -0.13 -0.55 0.00 0.00 176.35 176.52 1ikm s ARG 6 N 0.95 -1.47 0.02 1.48 3.00 -1.26 -4.54 118.95 117.14 1ikm s ARG 6 Ca -0.05 0.10 -0.30 0.00 0.00 0.00 0.00 55.73 55.47 1ikm s ARG 6 Cb -0.05 -1.55 -0.07 0.00 0.00 0.00 0.00 34.95 33.27 1ikm s ARG 6 CO -0.08 -3.91 1.60 0.00 0.00 0.00 0.00 175.30 172.91 1ikm n GLN 8 N 5.97 0.10 -4.01 0.00 10.64 -1.26 -4.39 117.38 124.43 1ikm n GLN 8 Ca 0.16 0.32 -0.31 0.00 -1.83 0.00 0.00 57.00 55.34 1ikm n GLN 8 Cb 0.42 -1.69 -0.15 0.00 -0.86 0.00 0.00 30.24 27.96 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 6.65 1.28 -3.77 0.00 1.08 -2.02 -3.42 117.51 117.31 1ikm h ILE 10 Ca -0.10 -1.34 -0.68 0.00 -0.39 0.00 0.00 64.86 62.35 1ikm h ILE 10 Cb 1.03 1.51 -0.19 0.00 -3.07 0.00 0.00 36.82 36.09 1ikm h ILE 10 CO 0.49 0.41 -0.79 -1.59 -0.69 0.00 0.00 178.15 175.99 1ikm s LYS 11 N -4.34 1.98 0.27 2.37 -2.85 -1.26 -5.14 119.74 110.77 1ikm s LYS 11 Ca -0.05 -1.06 0.01 0.00 -1.00 0.00 0.00 55.97 53.86 1ikm s LYS 11 Cb 0.14 -2.19 0.01 0.00 -2.06 0.00 0.00 37.83 33.72 1ikm s LYS 11 CO 0.77 0.51 0.04 0.25 0.10 0.00 0.00 175.35 177.03 1ikm n THR 12 N 1.08 0.00 -3.21 3.79 -2.24 -1.26 -4.85 114.28 107.58 1ikm n THR 12 Ca -0.15 -1.23 -0.39 0.00 -2.27 0.00 0.00 64.05 60.01 1ikm n THR 12 Cb 0.52 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.84 3.41 -0.20 4.78 5.04 0.12 -4.81 117.35 123.84 1ikm s TYR 13 Ca 0.03 0.87 0.15 0.00 -2.44 0.00 0.00 57.07 55.68 1ikm s TYR 13 Cb -0.00 -2.69 -0.23 0.00 0.35 0.00 0.00 41.96 39.38 1ikm s TYR 13 CO 0.02 -0.06 0.03 0.43 -1.34 0.00 0.00 175.55 174.63 1ikm n SER 14 N 4.60 0.44 -4.75 4.32 7.64 -1.26 -2.66 113.62 121.96 1ikm n SER 14 Ca -0.04 -0.02 -0.41 0.00 1.01 0.00 0.00 58.87 59.42 1ikm n SER 14 Cb 0.50 0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 64.45 1ikm n SER 14 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ikm s LYS 15 N -2.48 4.67 0.54 1.43 1.02 -1.26 -5.03 119.74 118.64 1ikm s LYS 15 Ca -0.13 1.68 -0.09 0.00 0.02 0.00 0.00 55.97 57.45 1ikm s LYS 15 Cb 0.06 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 1ikm s LYS 15 CO 0.77 0.22 0.92 -1.25 -0.92 0.00 0.00 175.35 175.09 1ikm s PRO 16 N -0.88 3.62 0.11 -1.68 0.04 -1.26 -5.07 135.00 129.89 1ikm s PRO 16 Ca 0.46 0.54 -0.24 0.00 0.04 0.00 0.00 61.00 61.80 1ikm s PRO 16 Cb -0.29 -2.22 0.07 0.00 0.04 0.00 0.00 34.50 32.10 1ikm s PRO 16 CO 0.36 -0.37 0.61 -0.59 0.04 0.00 0.00 177.00 177.05 1ikm s PHE 17 N -2.91 -0.55 0.32 0.56 -0.71 -1.26 -5.15 117.98 108.29 1ikm s PHE 17 Ca 0.52 0.49 -0.29 0.00 -1.04 0.00 0.00 56.93 56.61 1ikm s PHE 17 Cb -0.11 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 42.12 1ikm s PHE 17 CO 0.47 -0.79 1.37 -1.58 -1.34 0.00 0.00 175.22 173.34 1ikm s HIS 18 N -3.19 2.96 0.01 3.49 5.65 -1.26 -4.97 115.29 117.98 1ikm s HIS 18 Ca -0.02 1.29 -0.19 0.00 0.25 0.00 0.00 55.06 56.40 1ikm s HIS 18 Cb -0.01 -3.77 -0.25 0.00 -1.18 0.00 0.00 32.58 27.37 1ikm s HIS 18 CO -0.08 -2.23 1.09 -1.00 -0.65 0.00 0.00 174.74 171.87 1ikm h PRO 19 N 3.64 0.46 -0.33 2.88 0.13 -1.98 -3.32 132.00 133.48 1ikm h PRO 19 Ca -0.49 -0.53 0.10 0.00 -0.87 0.00 0.00 66.00 64.21 1ikm h PRO 19 Cb 1.23 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 1ikm h PRO 19 CO 0.68 1.18 0.49 -0.22 -0.23 0.00 0.00 178.00 179.90 1ikm h LYS 20 N -0.03 0.00 -0.90 0.86 3.64 -1.98 0.25 116.57 118.42 1ikm h LYS 20 Ca -0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1ikm h LYS 20 Cb 1.46 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.24 1ikm h LYS 20 CO 0.15 0.00 0.49 0.74 -2.27 0.00 0.00 179.45 178.55 1ikm h PHE 21 N 0.00 1.24 -2.15 1.91 0.04 -1.98 -3.41 116.94 112.60 1ikm h PHE 21 Ca 0.16 -0.03 -0.56 0.00 2.80 0.00 0.00 57.97 60.33 1ikm h PHE 21 Cb 1.14 -0.40 0.01 0.00 2.20 0.00 0.00 35.95 38.90 1ikm h PHE 21 CO 0.00 0.86 1.34 -0.89 -0.60 0.00 0.00 178.31 179.02 1ikm n ILE 22 N -4.33 0.58 0.10 -0.55 5.41 0.88 -1.18 119.36 120.28 1ikm n ILE 22 Ca 0.10 -0.27 -0.02 0.00 1.00 0.00 0.00 62.75 63.55 1ikm n ILE 22 Cb 0.10 -2.38 -0.02 0.00 -0.71 0.00 0.00 39.64 36.64 1ikm n ILE 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1ikm h LYS 23 N 12.36 0.00 0.00 0.38 3.64 -1.05 -3.47 116.57 128.44 1ikm h LYS 23 Ca -0.46 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.61 1ikm h LYS 23 Cb 1.24 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.99 1ikm h LYS 23 CO 0.95 0.75 -0.24 0.39 -2.27 0.00 0.00 179.45 179.03 1ikm n GLU 24 N -3.34 0.50 0.00 1.90 -0.58 -1.23 -5.00 120.64 112.89 1ikm n GLU 24 Ca 0.01 -2.59 0.00 0.00 -0.42 0.00 0.00 57.16 54.16 1ikm n GLU 24 Cb 0.82 2.33 0.00 0.00 -0.57 0.00 0.00 31.44 34.01 1ikm n GLU 24 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1ikm n ARG 26 N -0.52 0.00 -3.44 3.49 1.85 -0.17 -1.42 116.66 116.45 1ikm n ARG 26 Ca 0.03 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.57 1ikm n ARG 26 Cb 0.51 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.87 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 5.00 -0.13 8.89 -7.23 -1.26 -1.68 120.40 123.99 1ikm s VAL 27 Ca 0.00 0.28 -0.11 0.00 -1.81 0.00 0.00 61.98 60.34 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 -0.12 0.23 -0.63 -0.31 0.00 0.00 175.10 174.27 1ikm s ILE 28 N -1.86 5.35 1.11 -0.62 -1.09 0.14 -4.89 121.20 119.33 1ikm s ILE 28 Ca 0.45 0.42 -0.16 0.00 -2.23 0.00 0.00 60.65 59.14 1ikm s ILE 28 Cb -0.11 -3.54 0.24 0.00 -1.58 0.00 0.00 42.46 37.47 1ikm s ILE 28 CO 0.24 0.51 1.09 -1.83 -1.23 0.00 0.00 174.94 173.72 1ikm s GLU 29 N -0.33 -0.49 0.23 2.79 -1.05 -1.26 -3.60 118.70 114.99 1ikm s GLU 29 Ca 0.16 0.27 0.08 0.00 -0.15 0.00 0.00 54.97 55.33 1ikm s GLU 29 Cb -0.13 -1.65 -0.04 0.00 -0.44 0.00 0.00 34.13 31.87 1ikm s GLU 29 CO 0.04 -3.30 0.06 -1.54 0.95 0.00 0.00 175.26 171.47 1ikm s SER 30 N -3.56 4.90 0.00 0.83 1.04 -1.26 -4.72 113.70 110.93 1ikm s SER 30 Ca 0.68 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1ikm s SER 30 Cb -0.15 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 64.90 1ikm s SER 30 CO 0.57 0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.42 1ikm n GLY 31 N -0.75 1.08 0.17 7.32 0.00 -0.55 -4.96 105.19 107.50 1ikm n GLY 31 Ca -0.08 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 0.38 -0.90 1.61 0.13 -1.98 -3.09 132.00 128.14 1ikm h PRO 32 Ca 0.00 -0.32 0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1ikm h PRO 32 Cb 0.00 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.15 1ikm h PRO 32 CO 0.00 0.97 0.60 1.12 -0.23 0.00 0.00 178.00 180.45 1ikm h HIS 33 N 0.25 1.11 -2.49 1.56 2.07 -1.94 -3.40 115.15 112.31 1ikm h HIS 33 Ca -0.03 0.03 -0.21 0.00 -2.85 0.00 0.00 60.37 57.30 1ikm h HIS 33 Cb 1.33 -0.37 -0.32 0.00 2.57 0.00 0.00 27.41 30.62 1ikm h HIS 33 CO 0.04 0.67 -0.52 0.00 -3.07 0.00 0.00 177.93 175.05 1ikm h ALA 35 N 8.25 1.00 -2.69 0.00 0.00 -1.78 -1.45 119.26 122.60 1ikm h ALA 35 Ca -0.16 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 1ikm h ALA 35 Cb 1.13 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1ikm h ALA 35 CO 0.20 0.65 -0.28 -0.80 0.00 0.00 0.00 179.25 179.02 1ikm s ASN 36 N -6.48 6.55 0.32 0.00 0.01 -1.26 -4.65 114.94 109.43 1ikm s ASN 36 Ca -0.12 0.68 -0.24 0.00 -0.71 0.00 0.00 52.86 52.48 1ikm s ASN 36 Cb 0.15 -2.13 -0.10 0.00 0.41 0.00 0.00 41.25 39.58 1ikm s ASN 36 CO 0.84 0.10 0.90 -0.89 -1.51 0.00 0.00 177.10 176.54 1ikm s THR 37 N -1.54 4.32 -0.06 1.60 2.01 -1.26 -4.82 115.64 115.89 1ikm s THR 37 Ca 0.37 1.64 0.02 0.00 0.31 0.00 0.00 61.69 64.03 1ikm s THR 37 Cb -0.13 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1ikm s THR 37 CO 0.21 0.06 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.41 1ikm s GLU 38 N -2.27 1.38 0.40 4.92 2.56 -1.24 -4.73 118.70 119.73 1ikm s GLU 38 Ca 0.51 -0.30 -0.09 0.00 0.00 0.00 0.00 54.97 55.10 1ikm s GLU 38 Cb -0.16 -1.21 -0.06 0.00 2.00 0.00 0.00 34.13 34.70 1ikm s GLU 38 CO 0.21 -0.02 0.74 0.42 -0.56 0.00 0.00 175.26 176.04 1ikm s ILE 39 N 0.80 4.84 -0.26 -3.70 1.09 -1.13 -0.68 121.20 122.16 1ikm s ILE 39 Ca -0.13 0.47 -0.03 0.00 -1.10 0.00 0.00 60.65 59.87 1ikm s ILE 39 Cb -0.15 -3.75 0.11 0.00 -1.06 0.00 0.00 42.46 37.61 1ikm s ILE 39 CO 0.02 -0.53 0.23 -0.63 -0.10 0.00 0.00 174.94 173.93 1ikm s ILE 40 N -2.37 -0.30 0.40 2.92 1.01 -0.68 -2.02 121.20 120.16 1ikm s ILE 40 Ca 0.49 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.81 1ikm s ILE 40 Cb -0.10 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 1ikm s ILE 40 CO 0.33 -0.43 0.39 0.68 0.00 0.00 0.00 174.94 175.91 1ikm s VAL 41 N 2.29 2.95 -0.28 2.92 -7.23 -1.05 -1.00 120.40 118.99 1ikm s VAL 41 Ca 0.08 -1.29 -0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1ikm s VAL 41 Cb -0.15 -3.05 0.09 0.00 0.56 0.00 0.00 36.38 33.83 1ikm s VAL 41 CO -0.26 -0.04 0.08 -0.54 -0.31 0.00 0.00 175.10 174.03 1ikm s LYS 42 N -4.13 0.66 0.56 4.82 3.01 -0.51 -2.64 119.74 121.51 1ikm s LYS 42 Ca 0.47 -0.87 -0.21 0.00 -1.01 0.00 0.00 55.97 54.36 1ikm s LYS 42 Cb -0.05 -1.92 -0.05 0.00 -1.01 0.00 0.00 37.83 34.79 1ikm s LYS 42 CO 0.28 -0.91 1.16 1.28 0.51 0.00 0.00 175.35 177.68 1ikm n LEU 43 N 4.93 4.50 0.26 3.17 4.77 -0.44 -0.53 117.00 133.67 1ikm n LEU 43 Ca -0.04 0.91 0.18 0.00 -0.03 0.00 0.00 56.01 57.03 1ikm n LEU 43 Cb 0.43 -1.48 0.92 0.00 -2.33 0.00 0.00 43.42 40.96 1ikm n LEU 43 CO 0.11 -1.20 1.15 0.77 -1.33 0.00 0.00 177.39 176.89 1ikm h SER 44 N 1.04 0.00 0.00 -1.43 4.64 -1.48 -0.17 113.55 116.15 1ikm h SER 44 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1ikm h SER 44 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1ikm h SER 44 CO 0.54 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.83 1ikm n ASP 45 N -3.54 0.00 -0.19 4.97 2.03 -1.26 -4.81 116.55 113.75 1ikm n ASP 45 Ca -0.00 -1.59 0.00 0.00 0.52 0.00 0.00 54.79 53.71 1ikm n ASP 45 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1ikm n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ikm n GLY 46 N 0.40 0.67 3.76 0.27 0.00 -0.09 -5.07 105.19 105.15 1ikm n GLY 46 Ca 0.03 -0.75 -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 -4.18 2.45 -0.08 1.61 3.52 -1.12 -4.94 118.95 116.21 1ikm s ARG 47 Ca 0.00 -1.51 -0.00 0.00 -0.13 0.00 0.00 55.73 54.09 1ikm s ARG 47 Cb 0.00 -2.24 0.02 0.00 -1.56 0.00 0.00 34.95 31.18 1ikm s ARG 47 CO 0.00 0.08 -0.05 -2.00 -0.81 0.00 0.00 175.30 172.52 1ikm s GLU 48 N -3.89 1.06 -0.06 5.12 2.12 -1.26 -1.33 118.70 120.45 1ikm s GLU 48 Ca 0.39 -0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.60 1ikm s GLU 48 Cb -0.03 -1.17 0.03 0.00 0.26 0.00 0.00 34.13 33.22 1ikm s GLU 48 CO 0.24 -0.20 0.02 -0.51 -0.54 0.00 0.00 175.26 174.27 1ikm s LEU 49 N 1.50 0.49 0.19 2.70 1.02 -1.08 -5.00 118.68 118.49 1ikm s LEU 49 Ca -0.01 -0.02 -0.27 0.00 0.02 0.00 0.00 54.13 53.85 1ikm s LEU 49 Cb -0.13 -0.31 -0.08 0.00 0.02 0.00 0.00 46.19 45.69 1ikm s LEU 49 CO -0.04 -0.20 0.83 0.00 0.02 0.00 0.00 176.35 176.96 1ikm s LEU 51 N -1.13 4.15 -0.32 0.00 1.43 -0.86 0.10 118.68 122.06 1ikm s LEU 51 Ca 0.38 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 1ikm s LEU 51 Cb -0.24 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 1ikm s LEU 51 CO 0.28 0.06 0.19 -0.62 0.23 0.00 0.00 176.35 176.50 1ikm s ASP 52 N -3.15 5.83 0.00 2.29 2.15 -1.09 -2.85 116.67 119.86 1ikm s ASP 52 Ca 0.33 -0.40 0.15 0.00 0.43 0.00 0.00 52.55 53.06 1ikm s ASP 52 Cb -0.11 -2.08 0.72 0.00 -0.30 0.00 0.00 42.92 41.15 1ikm s ASP 52 CO 0.27 -0.19 1.43 -0.81 -0.17 0.00 0.00 175.17 175.69 1ikm n PRO 53 N 5.05 0.15 0.25 4.34 -0.04 -1.26 -2.90 135.00 140.59 1ikm n PRO 53 Ca -0.13 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 1ikm n PRO 53 Cb 0.50 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.08 1ikm n PRO 53 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ikm h LYS 54 N 0.00 0.00 -7.40 0.54 1.79 -1.95 -3.43 116.57 106.11 1ikm h LYS 54 Ca 0.00 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.00 1ikm h LYS 54 Cb 0.17 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 30.90 1ikm h LYS 54 CO 0.00 0.11 0.30 -1.21 -1.08 0.00 0.00 179.45 177.57 1ikm s GLU 55 N -4.64 2.26 0.08 3.15 8.01 -1.14 -4.99 118.70 121.42 1ikm s GLU 55 Ca -0.04 -0.04 0.23 0.00 0.01 0.00 0.00 54.97 55.12 1ikm s GLU 55 Cb 0.15 -2.09 -0.03 0.00 -4.31 0.00 0.00 34.13 27.85 1ikm s GLU 55 CO 0.65 -1.28 0.94 0.09 0.01 0.00 0.00 175.26 175.67 1ikm n ASN 56 N -3.03 0.57 0.12 -0.19 3.02 -1.26 -3.86 115.26 110.64 1ikm n ASN 56 Ca 0.08 -0.02 -0.22 0.00 -0.03 0.00 0.00 54.58 54.39 1ikm n ASN 56 Cb 0.60 0.91 -0.15 0.00 -0.61 0.00 0.00 39.78 40.53 1ikm n ASN 56 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1ikm h TRP 57 N 0.00 0.80 -0.58 3.10 5.08 -1.94 -1.15 115.95 121.26 1ikm h TRP 57 Ca 0.00 -0.58 -0.06 0.00 1.08 0.00 0.00 58.89 59.33 1ikm h TRP 57 Cb 0.85 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 26.96 1ikm h TRP 57 CO 0.00 1.49 0.15 0.28 -1.28 0.00 0.00 178.44 179.08 1ikm h VAL 58 N 0.12 1.25 0.00 0.12 2.07 -1.81 0.77 116.25 118.76 1ikm h VAL 58 Ca -0.24 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.27 1ikm h VAL 58 Cb 2.11 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1ikm h VAL 58 CO 0.24 0.33 -0.60 0.06 0.02 0.00 0.00 177.57 177.62 1ikm h GLN 59 N 0.84 0.00 0.23 1.57 3.07 -1.67 -1.77 115.11 117.38 1ikm h GLN 59 Ca 0.18 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.59 1ikm h GLN 59 Cb 0.34 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.93 1ikm h GLN 59 CO 0.00 0.60 -1.49 0.00 0.09 0.00 0.00 178.83 178.04 1ikm h ARG 60 N 0.00 0.48 -0.62 0.06 3.08 -0.83 -2.47 114.38 114.08 1ikm h ARG 60 Ca -0.01 -0.83 -0.08 0.00 0.07 0.00 0.00 59.98 59.14 1ikm h ARG 60 Cb 1.28 0.31 -0.02 0.00 0.08 0.00 0.00 29.97 31.61 1ikm h ARG 60 CO 0.08 1.39 0.07 0.28 -1.07 0.00 0.00 179.97 180.72 1ikm h VAL 61 N 0.13 1.26 -0.48 2.04 2.07 0.54 -0.16 116.25 121.65 1ikm h VAL 61 Ca -0.25 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.10 1ikm h VAL 61 Cb 2.14 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1ikm h VAL 61 CO 0.25 0.39 -0.18 0.58 0.02 0.00 0.00 177.57 178.63 1ikm h VAL 62 N 0.95 1.27 -0.30 2.57 2.07 -1.39 -0.83 116.25 120.59 1ikm h VAL 62 Ca 0.18 -1.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 1ikm h VAL 62 Cb 0.47 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ikm h VAL 62 CO 0.02 0.46 -0.07 -0.33 0.02 0.00 0.00 177.57 177.66 1ikm h GLU 63 N 0.83 0.57 -0.12 1.57 3.07 -1.16 0.59 114.58 119.93 1ikm h GLU 63 Ca 0.12 -0.22 -0.08 0.00 -0.50 0.00 0.00 59.36 58.67 1ikm h GLU 63 Cb 0.74 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 1ikm h GLU 63 CO 0.06 0.77 -0.30 -0.22 -1.40 0.00 0.00 179.01 177.92 1ikm h LYS 64 N 0.34 0.24 -0.01 2.33 3.64 -0.96 0.14 116.57 122.28 1ikm h LYS 64 Ca 0.07 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1ikm h LYS 64 Cb 0.56 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1ikm h LYS 64 CO 0.03 0.52 -0.72 0.35 -2.27 0.00 0.00 179.45 177.37 1ikm h PHE 65 N 0.21 0.73 -0.02 1.91 3.57 -0.97 -3.34 116.94 119.03 1ikm h PHE 65 Ca 0.03 -0.39 -0.14 0.00 3.53 0.00 0.00 57.97 61.00 1ikm h PHE 65 Cb 0.64 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.31 1ikm h PHE 65 CO 0.01 1.22 -0.52 1.25 -2.23 0.00 0.00 178.31 178.04 1ikm h LEU 66 N 0.04 0.48 -8.36 0.59 7.12 -0.79 -3.41 115.31 110.99 1ikm h LEU 66 Ca -0.09 -0.74 -0.36 0.00 0.13 0.00 0.00 57.88 56.82 1ikm h LEU 66 Cb 1.41 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 41.36 1ikm h LEU 66 CO 0.14 1.16 0.97 -0.75 -0.13 0.00 0.00 178.44 179.83 1ikm s LYS 67 N -3.27 2.47 -0.01 1.25 2.36 0.47 -4.79 119.74 118.21 1ikm s LYS 67 Ca -0.14 0.22 -0.06 0.00 -2.55 0.00 0.00 55.97 53.44 1ikm s LYS 67 Cb 0.03 -4.76 0.02 0.00 -1.05 0.00 0.00 37.83 32.08 1ikm s LYS 67 CO 0.81 -3.22 0.27 0.54 1.55 0.00 0.00 175.35 175.30 1ikm n ARG 68 N 8.99 0.02 -0.39 4.03 1.74 -1.26 -4.85 116.66 124.93 1ikm n ARG 68 Ca 0.33 -0.13 0.05 0.00 -0.77 0.00 0.00 57.85 57.34 1ikm n ARG 68 Cb 0.49 0.23 -0.01 0.00 -1.02 0.00 0.00 32.46 32.15 1ikm n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ikm n ALA 69 N -2.59 -1.02 -0.07 7.54 0.00 -1.26 -4.69 120.51 118.43 1ikm n ALA 69 Ca -0.02 0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.47 1ikm n ALA 69 Cb 0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 1ikm n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ikm n GLU 70 N -2.57 0.44 -3.47 0.00 -0.58 -1.26 -4.86 120.64 108.34 1ikm n GLU 70 Ca 0.00 0.17 -0.26 0.00 -0.42 0.00 0.00 57.16 56.65 1ikm n GLU 70 Cb 0.18 -1.27 -0.09 0.00 -0.57 0.00 0.00 31.44 29.69 1ikm n GLU 70 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1ikm n ASN 71 N -4.30 1.54 0.00 1.62 2.85 -1.26 -5.26 115.26 110.45 1ikm n ASN 71 Ca -0.12 -2.91 0.00 0.00 -0.11 0.00 0.00 54.58 51.44 1ikm n ASN 71 Cb 0.43 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.80 1ikm n ASN 71 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91