#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie5 s LYS 2 N 0.00 1.08 0.02 1.61 2.20 -1.26 -5.06 119.74 118.33 1ie5 s LYS 2 Ca 0.00 -0.14 0.26 0.00 -0.36 0.00 0.00 55.97 55.73 1ie5 s LYS 2 Cb 0.00 0.50 0.73 0.00 -1.51 0.00 0.00 37.83 37.55 1ie5 s LYS 2 CO 0.00 -0.39 1.58 -0.25 -0.36 0.00 0.00 175.35 175.93 1ie5 n ASP 3 N 0.41 0.38 -0.05 1.43 8.00 -1.26 -3.90 116.55 121.56 1ie5 n ASP 3 Ca -0.18 0.07 0.01 0.00 0.71 0.00 0.00 54.79 55.40 1ie5 n ASP 3 Cb 0.60 -0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.49 1ie5 n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ie5 n ILE 4 N -1.61 0.66 -2.08 0.53 2.08 -1.26 -4.79 119.36 112.88 1ie5 n ILE 4 Ca 0.06 -0.66 -0.05 0.00 0.56 0.00 0.00 62.75 62.66 1ie5 n ILE 4 Cb 0.35 -0.22 -0.05 0.00 -0.75 0.00 0.00 39.64 38.97 1ie5 n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ie5 n GLN 5 N -2.48 0.00 -3.99 0.38 10.64 -1.26 -5.09 117.38 115.59 1ie5 n GLN 5 Ca -0.18 -1.11 -0.21 0.00 -1.83 0.00 0.00 57.00 53.68 1ie5 n GLN 5 Cb 0.84 0.37 -0.17 0.00 -0.86 0.00 0.00 30.24 30.42 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1ie5 s VAL 6 N 0.00 0.47 -1.29 -0.39 1.01 -1.25 -5.00 120.40 113.96 1ie5 s VAL 6 Ca 0.06 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1ie5 s VAL 6 Cb 0.07 -0.55 0.12 0.00 0.00 0.00 0.00 36.38 36.01 1ie5 s VAL 6 CO -0.03 0.24 1.72 -0.38 0.00 0.00 0.00 175.10 176.65 1ie5 n ILE 7 N 4.50 4.05 0.00 2.22 2.08 -1.26 -3.55 119.36 127.40 1ie5 n ILE 7 Ca -0.18 -4.22 0.00 0.00 0.56 0.00 0.00 62.75 58.91 1ie5 n ILE 7 Cb 0.50 -2.43 0.00 0.00 -0.75 0.00 0.00 39.64 36.97 1ie5 n ILE 7 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1ie5 n VAL 8 N 5.15 0.00 -2.86 1.39 0.31 -1.26 -5.12 118.33 115.94 1ie5 n VAL 8 Ca 0.44 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.41 1ie5 n VAL 8 Cb 0.42 -0.12 -0.06 0.00 -0.91 0.00 0.00 33.84 33.17 1ie5 n VAL 8 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ie5 s ASN 9 N -2.64 7.17 -0.15 4.52 0.01 -1.23 -4.80 114.94 117.81 1ie5 s ASN 9 Ca 0.00 1.70 -0.06 0.00 -0.71 0.00 0.00 52.86 53.79 1ie5 s ASN 9 Cb 0.00 -2.53 0.07 0.00 0.41 0.00 0.00 41.25 39.20 1ie5 s ASN 9 CO 0.00 -0.12 0.32 -0.69 -1.51 0.00 0.00 177.10 175.10 1ie5 s VAL 10 N -1.75 -0.46 0.57 1.60 1.01 0.33 -4.97 120.40 116.73 1ie5 s VAL 10 Ca 0.52 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.54 1ie5 s VAL 10 Cb -0.16 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.63 1ie5 s VAL 10 CO 0.20 0.10 0.78 -2.65 0.00 0.00 0.00 175.10 173.53 1ie5 n PRO 11 N 5.26 0.76 -1.87 2.72 -0.02 -1.26 -2.25 135.00 138.34 1ie5 n PRO 11 Ca -0.09 0.29 -0.29 0.00 -2.02 0.00 0.00 63.50 61.39 1ie5 n PRO 11 Cb 0.50 -1.96 0.08 0.00 -0.02 0.00 0.00 33.50 32.10 1ie5 n PRO 11 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ie5 s PRO 12 N -2.41 2.28 -0.48 0.52 0.04 -1.26 -4.67 135.00 129.01 1ie5 s PRO 12 Ca 0.72 0.27 0.06 0.00 0.04 0.00 0.00 61.00 62.09 1ie5 s PRO 12 Cb -0.44 -1.97 0.20 0.00 0.04 0.00 0.00 34.50 32.32 1ie5 s PRO 12 CO 0.51 -1.41 0.63 0.45 0.04 0.00 0.00 177.00 177.22 1ie5 n SER 13 N -3.22 -2.37 -4.73 6.66 2.88 -0.27 -4.49 113.62 108.07 1ie5 n SER 13 Ca 0.07 -2.81 -0.41 0.00 -1.33 0.00 0.00 58.87 54.39 1ie5 n SER 13 Cb 0.59 1.00 -0.04 0.00 -0.75 0.00 0.00 64.21 65.02 1ie5 n SER 13 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ie5 s VAL 14 N 0.50 3.99 0.07 2.46 0.11 -1.26 -3.84 120.40 122.42 1ie5 s VAL 14 Ca 0.31 1.67 0.01 0.00 -2.93 0.00 0.00 61.98 61.04 1ie5 s VAL 14 Cb 0.05 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 1ie5 s VAL 14 CO -0.12 0.27 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.73 1ie5 s ARG 15 N -0.16 0.67 -0.44 1.54 0.52 -0.28 -4.19 118.95 116.60 1ie5 s ARG 15 Ca 0.50 -1.13 -0.26 0.00 -0.52 0.00 0.00 55.73 54.31 1ie5 s ARG 15 Cb -0.28 -0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.14 1ie5 s ARG 15 CO 0.34 -0.04 0.96 0.00 0.02 0.00 0.00 175.30 176.58 1ie5 s ALA 16 N -3.11 3.27 -0.08 2.13 0.00 -1.26 -1.43 121.76 121.28 1ie5 s ALA 16 Ca 0.04 -0.65 0.28 0.00 0.00 0.00 0.00 51.96 51.62 1ie5 s ALA 16 Cb 0.02 -3.65 0.89 0.00 0.00 0.00 0.00 23.12 20.38 1ie5 s ALA 16 CO -0.05 -1.97 1.81 -0.09 0.00 0.00 0.00 175.76 175.46 1ie5 h ARG 17 N 8.94 0.00 -3.53 0.00 2.43 -1.59 -3.44 114.38 117.19 1ie5 h ARG 17 Ca -0.24 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.78 1ie5 h ARG 17 Cb 1.07 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.41 1ie5 h ARG 17 CO 1.03 0.07 -0.51 -0.65 -1.51 0.00 0.00 179.97 178.40 1ie5 s GLN 18 N -3.48 0.45 0.08 0.20 1.11 -1.26 -4.98 119.66 111.79 1ie5 s GLN 18 Ca 0.03 -0.37 0.23 0.00 0.01 0.00 0.00 55.36 55.25 1ie5 s GLN 18 Cb 0.08 0.19 -0.05 0.00 -1.01 0.00 0.00 33.01 32.22 1ie5 s GLN 18 CO 0.61 -0.10 0.92 0.43 0.01 0.00 0.00 175.29 177.15 1ie5 n SER 19 N 1.56 0.56 -3.64 5.90 7.64 -1.26 -4.73 113.62 119.65 1ie5 n SER 19 Ca -0.22 0.01 -0.09 0.00 1.01 0.00 0.00 58.87 59.59 1ie5 n SER 19 Cb 0.56 0.94 -0.07 0.00 -1.01 0.00 0.00 64.21 64.62 1ie5 n SER 19 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ie5 s THR 20 N -3.32 0.00 0.28 0.44 2.01 -1.26 -3.81 115.64 109.98 1ie5 s THR 20 Ca -0.00 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.07 1ie5 s THR 20 Cb 0.13 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 1ie5 s THR 20 CO 0.82 0.00 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.65 1ie5 s MET 21 N 0.51 1.55 0.08 4.92 1.00 0.03 -4.97 119.30 122.41 1ie5 s MET 21 Ca 0.00 -1.78 -0.23 0.00 0.00 0.00 0.00 55.69 53.68 1ie5 s MET 21 Cb -0.05 -1.18 0.06 0.00 0.00 0.00 0.00 34.83 33.66 1ie5 s MET 21 CO -0.07 0.05 0.54 0.54 0.00 0.00 0.00 175.02 176.08 1ie5 s ASN 22 N -3.44 -0.47 -0.00 3.03 2.20 -1.26 -0.96 114.94 114.03 1ie5 s ASN 22 Ca 0.29 0.12 -0.29 0.00 -0.94 0.00 0.00 52.86 52.05 1ie5 s ASN 22 Cb 0.03 0.52 0.10 0.00 -2.00 0.00 0.00 41.25 39.91 1ie5 s ASN 22 CO 0.12 -0.79 0.97 0.00 -2.94 0.00 0.00 177.10 174.45 1ie5 s ALA 23 N -2.85 -1.85 -0.15 3.54 0.00 -1.25 -5.00 121.76 114.21 1ie5 s ALA 23 Ca -0.03 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 52.67 1ie5 s ALA 23 Cb -0.00 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1ie5 s ALA 23 CO -0.05 -0.76 0.43 0.99 0.00 0.00 0.00 175.76 176.37 1ie5 s THR 24 N -3.02 5.21 0.47 0.00 2.01 -1.26 -1.44 115.64 117.60 1ie5 s THR 24 Ca 0.07 0.83 -0.21 0.00 0.31 0.00 0.00 61.69 62.69 1ie5 s THR 24 Cb -0.01 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 1ie5 s THR 24 CO -0.06 0.31 1.02 0.00 -0.69 0.00 0.00 174.62 175.20 1ie5 s ALA 25 N 0.82 2.93 0.00 7.40 0.00 0.08 -4.19 121.76 128.80 1ie5 s ALA 25 Ca 0.23 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1ie5 s ALA 25 Cb -0.15 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1ie5 s ALA 25 CO 0.08 -0.23 0.00 -1.71 0.00 0.00 0.00 175.76 173.91 1ie5 n ASN 26 N -0.80 0.00 -0.57 0.00 2.85 -1.04 -4.80 115.26 110.90 1ie5 n ASN 26 Ca 0.08 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.67 1ie5 n ASN 26 Cb 0.52 -0.87 0.41 0.00 1.24 0.00 0.00 39.78 41.09 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ie5 n LEU 27 N 0.00 1.74 -0.38 1.20 4.77 -1.26 -4.96 117.00 118.11 1ie5 n LEU 27 Ca 0.00 -0.68 -0.05 0.00 -0.03 0.00 0.00 56.01 55.25 1ie5 n LEU 27 Cb 0.00 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1ie5 n LEU 27 CO 0.00 0.34 -0.05 -1.54 -1.33 0.00 0.00 177.39 174.81 1ie5 n SER 28 N 0.36 -3.96 -4.57 -1.43 3.41 -1.26 -5.01 113.62 101.16 1ie5 n SER 28 Ca 0.17 0.12 -0.36 0.00 -0.26 0.00 0.00 58.87 58.54 1ie5 n SER 28 Cb 0.36 -1.89 0.07 0.00 -0.26 0.00 0.00 64.21 62.49 1ie5 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ie5 n GLN 29 N -2.37 0.54 -4.95 4.33 6.02 -1.26 -3.66 117.38 116.03 1ie5 n GLN 29 Ca -0.05 0.23 -0.32 0.00 -0.01 0.00 0.00 57.00 56.86 1ie5 n GLN 29 Cb 0.22 -2.09 -0.14 0.00 1.02 0.00 0.00 30.24 29.26 1ie5 n GLN 29 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1ie5 s SER 30 N -1.49 3.66 0.02 1.08 0.01 -1.26 -0.74 113.70 114.97 1ie5 s SER 30 Ca 0.72 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1ie5 s SER 30 Cb -0.37 -0.62 -0.01 0.00 0.21 0.00 0.00 66.02 65.23 1ie5 s SER 30 CO 0.51 0.31 -0.03 -0.69 0.41 0.00 0.00 173.24 173.76 1ie5 s VAL 31 N -0.75 0.12 0.04 3.43 1.01 0.26 -5.00 120.40 119.51 1ie5 s VAL 31 Ca 0.12 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1ie5 s VAL 31 Cb -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1ie5 s VAL 31 CO 0.01 -0.34 -0.23 -0.89 0.00 0.00 0.00 175.10 173.66 1ie5 s THR 32 N -1.02 1.82 0.22 3.92 2.01 -1.26 -0.43 115.64 120.90 1ie5 s THR 32 Ca -0.11 -1.22 -0.18 0.00 0.31 0.00 0.00 61.69 60.49 1ie5 s THR 32 Cb -0.07 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 70.90 1ie5 s THR 32 CO -0.01 0.30 0.57 -1.48 -0.69 0.00 0.00 174.62 173.31 1ie5 s LEU 33 N -1.10 -0.03 -0.18 4.42 0.05 -0.86 -5.01 118.68 115.96 1ie5 s LEU 33 Ca 0.09 -0.54 -0.21 0.00 0.05 0.00 0.00 54.13 53.52 1ie5 s LEU 33 Cb -0.09 2.28 0.06 0.00 -2.05 0.00 0.00 46.19 46.39 1ie5 s LEU 33 CO 0.01 -1.14 0.58 0.00 -0.55 0.00 0.00 176.35 175.26 1ie5 s ALA 34 N -3.90 -1.45 -0.80 1.48 0.00 -1.26 -0.73 121.76 115.11 1ie5 s ALA 34 Ca 0.11 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.61 1ie5 s ALA 34 Cb -0.02 -0.77 0.24 0.00 0.00 0.00 0.00 23.12 22.58 1ie5 s ALA 34 CO 0.01 -0.29 0.86 0.00 0.00 0.00 0.00 175.76 176.34 1ie5 s ASP 36 N -1.66 6.51 0.37 0.00 -4.77 -0.51 -4.56 116.67 112.04 1ie5 s ASP 36 Ca 0.33 2.58 -0.01 0.00 -3.30 0.00 0.00 52.55 52.16 1ie5 s ASP 36 Cb 0.05 -2.55 -0.03 0.00 -1.09 0.00 0.00 42.92 39.30 1ie5 s ASP 36 CO -0.04 -0.99 0.59 0.00 0.70 0.00 0.00 175.17 175.43 1ie5 s ALA 37 N 3.59 3.65 0.04 2.11 0.00 -1.26 -1.13 121.76 128.77 1ie5 s ALA 37 Ca 0.81 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 51.67 1ie5 s ALA 37 Cb -0.41 -2.19 0.08 0.00 0.00 0.00 0.00 23.12 20.60 1ie5 s ALA 37 CO 0.36 -0.07 0.71 0.34 0.00 0.00 0.00 175.76 177.11 1ie5 s ASP 38 N -4.03 -0.54 0.00 0.00 2.15 -1.25 -4.48 116.67 108.52 1ie5 s ASP 38 Ca 0.41 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.63 1ie5 s ASP 38 Cb -0.10 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 1ie5 s ASP 38 CO 0.37 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 1ie5 n GLY 39 N 0.10 1.53 2.68 2.66 0.00 -1.26 -1.11 105.19 109.79 1ie5 n GLY 39 Ca -0.15 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 1ie5 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ie5 s PHE 40 N -1.94 0.41 0.85 1.61 0.40 -0.96 -3.53 117.98 114.83 1ie5 s PHE 40 Ca 0.00 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 1ie5 s PHE 40 Cb 0.00 -0.72 0.10 0.00 0.51 0.00 0.00 43.02 42.91 1ie5 s PHE 40 CO 0.00 -0.41 1.09 -1.25 0.70 0.00 0.00 175.22 175.36 1ie5 s PRO 41 N 2.06 1.62 -0.18 0.24 0.04 -1.26 -0.51 135.00 137.00 1ie5 s PRO 41 Ca 0.03 1.02 -0.42 0.00 0.04 0.00 0.00 61.00 61.67 1ie5 s PRO 41 Cb -0.14 -1.83 -0.19 0.00 0.04 0.00 0.00 34.50 32.37 1ie5 s PRO 41 CO -0.06 -2.05 1.34 0.39 0.04 0.00 0.00 177.00 176.66 1ie5 n GLU 42 N -3.78 0.25 -2.02 4.56 4.71 -1.23 -4.87 120.64 118.25 1ie5 n GLU 42 Ca 0.08 0.09 -0.28 0.00 -0.01 0.00 0.00 57.16 57.04 1ie5 n GLU 42 Cb 0.54 -1.63 0.08 0.00 -1.01 0.00 0.00 31.44 29.43 1ie5 n GLU 42 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1ie5 s PRO 43 N 1.39 2.03 0.03 3.49 0.04 -1.26 -4.98 135.00 135.74 1ie5 s PRO 43 Ca 0.96 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1ie5 s PRO 43 Cb -1.29 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1ie5 s PRO 43 CO 0.65 -1.47 0.11 0.99 0.04 0.00 0.00 177.00 177.32 1ie5 s THR 44 N -3.45 4.86 0.08 1.26 2.01 0.22 -4.94 115.64 115.68 1ie5 s THR 44 Ca 0.61 -0.49 -0.18 0.00 0.31 0.00 0.00 61.69 61.94 1ie5 s THR 44 Cb -0.11 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.15 1ie5 s THR 44 CO 0.47 0.24 0.44 0.00 -0.69 0.00 0.00 174.62 175.08 1ie5 s MET 45 N -2.10 1.02 0.13 4.92 0.23 -1.26 -0.43 119.30 121.81 1ie5 s MET 45 Ca 0.27 -0.47 -0.10 0.00 -1.03 0.00 0.00 55.69 54.36 1ie5 s MET 45 Cb -0.12 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.63 1ie5 s MET 45 CO 0.19 -0.38 0.28 0.95 -2.03 0.00 0.00 175.02 174.03 1ie5 s THR 46 N -3.04 0.10 0.10 3.16 -4.23 -0.37 -4.96 115.64 106.40 1ie5 s THR 46 Ca -0.02 -1.16 -0.25 0.00 -1.18 0.00 0.00 61.69 59.09 1ie5 s THR 46 Cb 0.00 -1.53 0.08 0.00 1.34 0.00 0.00 72.50 72.40 1ie5 s THR 46 CO -0.06 -0.43 0.71 -1.66 -0.54 0.00 0.00 174.62 172.64 1ie5 s TRP 47 N -3.90 -0.46 0.23 3.99 1.48 -1.26 -1.23 118.94 117.80 1ie5 s TRP 47 Ca 0.10 0.27 0.10 0.00 -1.06 0.00 0.00 56.10 55.51 1ie5 s TRP 47 Cb 0.03 0.56 -0.04 0.00 -1.16 0.00 0.00 33.47 32.86 1ie5 s TRP 47 CO -0.06 -0.74 -0.12 0.95 -4.06 0.00 0.00 176.95 172.92 1ie5 s THR 48 N -3.51 2.97 -0.62 0.66 -4.23 -1.02 -0.37 115.64 109.52 1ie5 s THR 48 Ca 0.03 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1ie5 s THR 48 Cb -0.01 -2.52 0.39 0.00 1.34 0.00 0.00 72.50 71.70 1ie5 s THR 48 CO -0.11 -0.25 1.53 1.17 -0.54 0.00 0.00 174.62 176.41 1ie5 n LYS 49 N -0.35 3.13 -1.67 3.99 4.81 -0.06 -4.13 118.16 123.88 1ie5 n LYS 49 Ca -0.08 -4.05 -0.19 0.00 -0.87 0.00 0.00 58.31 53.11 1ie5 n LYS 49 Cb 0.58 -2.26 -0.07 0.00 0.02 0.00 0.00 35.03 33.29 1ie5 n LYS 49 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ie5 n ASP 50 N -0.52 -5.16 0.00 3.14 2.03 -1.16 -4.38 116.55 110.50 1ie5 n ASP 50 Ca 0.46 0.42 0.00 0.00 0.52 0.00 0.00 54.79 56.19 1ie5 n ASP 50 Cb 0.49 -4.55 0.00 0.00 -0.72 0.00 0.00 41.12 36.34 1ie5 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ie5 n GLY 51 N -0.44 0.00 3.38 0.27 0.00 -1.26 -4.98 105.19 102.16 1ie5 n GLY 51 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1ie5 n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ie5 s GLU 52 N -0.02 1.16 0.56 1.61 -1.05 -1.26 -5.16 118.70 114.53 1ie5 s GLU 52 Ca 0.00 -0.79 -0.19 0.00 -0.15 0.00 0.00 54.97 53.84 1ie5 s GLU 52 Cb 0.00 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.11 1ie5 s GLU 52 CO 0.00 -0.47 1.14 -2.14 0.95 0.00 0.00 175.26 174.74 1ie5 s PRO 53 N -3.84 3.28 0.00 -4.83 0.02 -1.26 -0.88 135.00 127.49 1ie5 s PRO 53 Ca 0.06 1.62 0.20 0.00 0.02 0.00 0.00 61.00 62.90 1ie5 s PRO 53 Cb 0.01 -1.99 0.58 0.00 0.02 0.00 0.00 34.50 33.12 1ie5 s PRO 53 CO -0.08 -0.91 1.46 -0.89 -0.33 0.00 0.00 177.00 176.24 1ie5 n ILE 54 N -1.40 0.38 0.00 2.83 5.41 0.50 -4.81 119.36 122.27 1ie5 n ILE 54 Ca 0.12 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.35 1ie5 n ILE 54 Cb 0.51 0.53 0.00 0.00 -0.71 0.00 0.00 39.64 39.96 1ie5 n ILE 54 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1ie5 n GLU 55 N 0.76 0.00 0.00 0.38 0.28 -1.26 -4.65 120.64 116.15 1ie5 n GLU 55 Ca 0.17 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.22 1ie5 n GLU 55 Cb 0.42 0.00 0.30 0.00 1.43 0.00 0.00 31.44 33.59 1ie5 n GLU 55 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ie5 n GLN 56 N 0.00 0.30 0.00 3.44 1.13 -1.26 -0.17 117.38 120.82 1ie5 n GLN 56 Ca 0.00 0.03 0.12 0.00 -1.94 0.00 0.00 57.00 55.22 1ie5 n GLN 56 Cb 0.00 -1.50 0.28 0.00 0.11 0.00 0.00 30.24 29.13 1ie5 n GLN 56 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1ie5 n GLU 57 N -1.05 0.74 0.00 -1.09 0.28 -1.26 -4.74 120.64 113.53 1ie5 n GLU 57 Ca 0.07 -0.48 0.00 0.00 -0.16 0.00 0.00 57.16 56.59 1ie5 n GLU 57 Cb 0.04 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.42 1ie5 n GLU 57 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1ie5 n ASP 58 N -0.71 0.00 -4.40 -1.84 2.03 -0.44 -5.07 116.55 106.12 1ie5 n ASP 58 Ca 0.10 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.97 1ie5 n ASP 58 Cb 0.36 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.70 1ie5 n ASP 58 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1ie5 s ASN 59 N -1.04 6.19 0.00 1.67 2.47 0.77 -4.86 114.94 120.13 1ie5 s ASN 59 Ca 0.00 -1.21 0.00 0.00 0.42 0.00 0.00 52.86 52.07 1ie5 s ASN 59 Cb 0.00 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.56 1ie5 s ASN 59 CO 0.00 -0.82 0.48 -0.62 -3.72 0.00 0.00 177.10 172.42 1ie5 n GLU 60 N 5.74 0.27 -0.20 0.43 1.02 -1.26 -4.35 120.64 122.29 1ie5 n GLU 60 Ca -0.10 -0.53 0.12 0.00 -0.02 0.00 0.00 57.16 56.63 1ie5 n GLU 60 Cb 0.44 -0.56 0.22 0.00 -0.02 0.00 0.00 31.44 31.52 1ie5 n GLU 60 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ie5 n GLU 61 N -0.05 -0.04 -2.69 3.49 -0.58 -1.26 -2.14 120.64 117.37 1ie5 n GLU 61 Ca 0.00 0.86 -0.06 0.00 -0.42 0.00 0.00 57.16 57.54 1ie5 n GLU 61 Cb 0.43 -1.42 0.10 0.00 -0.57 0.00 0.00 31.44 29.98 1ie5 n GLU 61 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ie5 n LYS 62 N -4.63 1.24 -3.54 3.49 2.85 -1.26 -5.12 118.16 111.19 1ie5 n LYS 62 Ca 0.16 -2.13 -0.09 0.00 -1.05 0.00 0.00 58.31 55.19 1ie5 n LYS 62 Cb 0.54 -0.32 -0.03 0.00 -0.65 0.00 0.00 35.03 34.57 1ie5 n LYS 62 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 1ie5 s TYR 63 N -0.76 -0.36 -0.11 5.58 -0.85 -0.91 -1.39 117.35 118.56 1ie5 s TYR 63 Ca 0.21 0.41 -0.31 0.00 -0.52 0.00 0.00 57.07 56.87 1ie5 s TYR 63 Cb 0.42 0.50 0.12 0.00 0.38 0.00 0.00 41.96 43.38 1ie5 s TYR 63 CO -0.07 -0.44 1.03 -1.12 -1.52 0.00 0.00 175.55 173.43 1ie5 s SER 64 N -1.85 -0.29 0.04 -0.18 0.01 -0.94 -4.53 113.70 105.97 1ie5 s SER 64 Ca 0.02 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.40 1ie5 s SER 64 Cb -0.01 0.28 -0.00 0.00 0.21 0.00 0.00 66.02 66.50 1ie5 s SER 64 CO -0.04 -0.41 0.04 2.22 0.41 0.00 0.00 173.24 175.46 1ie5 n PHE 65 N 0.10 -0.22 -2.79 2.43 -1.74 -1.26 -1.37 117.46 112.61 1ie5 n PHE 65 Ca -0.06 -0.34 -0.22 0.00 -0.56 0.00 0.00 57.45 56.26 1ie5 n PHE 65 Cb 0.60 0.05 0.10 0.00 1.52 0.00 0.00 39.48 41.74 1ie5 n PHE 65 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1ie5 n ASN 66 N -2.63 1.69 -4.54 5.98 3.02 -1.26 -4.97 115.26 112.55 1ie5 n ASN 66 Ca 0.01 -2.33 -0.30 0.00 -0.03 0.00 0.00 54.58 51.93 1ie5 n ASN 66 Cb 0.08 -0.57 -0.11 0.00 -0.61 0.00 0.00 39.78 38.57 1ie5 n ASN 66 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ie5 s TYR 67 N -2.96 2.69 -1.45 3.10 5.04 -1.26 -4.56 117.35 117.95 1ie5 s TYR 67 Ca 0.65 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 1ie5 s TYR 67 Cb -0.04 -1.45 0.00 0.00 0.35 0.00 0.00 41.96 40.82 1ie5 s TYR 67 CO 0.43 0.38 0.00 -3.47 -1.34 0.00 0.00 175.55 171.54 1ie5 n ASP 68 N 1.02 -4.96 -3.68 4.32 2.03 -1.26 -4.90 116.55 109.13 1ie5 n ASP 68 Ca -0.15 0.09 0.02 0.00 0.52 0.00 0.00 54.79 55.28 1ie5 n ASP 68 Cb 0.52 -4.17 0.00 0.00 -0.72 0.00 0.00 41.12 36.76 1ie5 n ASP 68 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ie5 s GLY 69 N -2.05 -0.31 0.00 0.27 0.00 -1.26 -4.90 107.32 99.07 1ie5 s GLY 69 Ca 0.00 0.45 0.18 0.00 0.00 0.00 0.00 44.72 45.36 1ie5 s GLY 69 CO 0.00 2.06 1.11 1.44 0.00 0.00 0.00 173.10 177.71 1ie5 n SER 70 N -0.71 0.52 -4.56 1.64 7.64 -1.26 -4.47 113.62 112.42 1ie5 n SER 70 Ca -0.04 -1.98 -0.42 0.00 1.01 0.00 0.00 58.87 57.44 1ie5 n SER 70 Cb 0.61 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 1ie5 n SER 70 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ie5 s GLU 71 N 0.00 3.71 -0.38 1.43 8.01 -1.26 -3.77 118.70 126.44 1ie5 s GLU 71 Ca 0.24 -1.39 -0.28 0.00 0.01 0.00 0.00 54.97 53.55 1ie5 s GLU 71 Cb 0.27 -5.40 -0.02 0.00 -4.31 0.00 0.00 34.13 24.67 1ie5 s GLU 71 CO -0.12 -2.21 1.80 -1.17 0.01 0.00 0.00 175.26 173.57 1ie5 s LEU 72 N 4.71 3.48 -0.16 1.80 2.96 0.10 -4.28 118.68 127.28 1ie5 s LEU 72 Ca 0.48 1.14 -0.17 0.00 -0.22 0.00 0.00 54.13 55.36 1ie5 s LEU 72 Cb 0.01 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1ie5 s LEU 72 CO -0.05 -1.81 0.43 -0.63 -1.32 0.00 0.00 176.35 172.97 1ie5 s ILE 73 N 7.23 5.20 -0.17 6.68 1.01 -0.47 -2.04 121.20 138.64 1ie5 s ILE 73 Ca 0.77 0.81 0.00 0.00 0.00 0.00 0.00 60.65 62.23 1ie5 s ILE 73 Cb -0.20 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.51 1ie5 s ILE 73 CO 0.32 0.29 -0.16 -0.63 0.00 0.00 0.00 174.94 174.76 1ie5 s ILE 74 N 0.96 2.47 0.24 2.92 1.01 0.42 -2.20 121.20 127.03 1ie5 s ILE 74 Ca 0.22 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.09 1ie5 s ILE 74 Cb -0.15 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1ie5 s ILE 74 CO 0.08 0.51 0.37 -1.59 0.00 0.00 0.00 174.94 174.32 1ie5 s LYS 75 N 1.11 3.45 -1.11 2.79 -2.85 -0.49 -0.57 119.74 122.07 1ie5 s LYS 75 Ca 0.00 -0.67 -0.02 0.00 -1.00 0.00 0.00 55.97 54.28 1ie5 s LYS 75 Cb -0.14 -2.87 0.00 0.00 -2.06 0.00 0.00 37.83 32.76 1ie5 s LYS 75 CO -0.06 0.41 0.94 1.63 0.10 0.00 0.00 175.35 178.37 1ie5 n LYS 76 N -1.31 -6.25 -1.84 1.78 4.76 -0.60 -4.87 118.16 109.84 1ie5 n LYS 76 Ca -0.08 0.75 -0.41 0.00 -2.87 0.00 0.00 58.31 55.70 1ie5 n LYS 76 Cb 0.56 -5.50 -0.01 0.00 -1.84 0.00 0.00 35.03 28.25 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ie5 s VAL 77 N -3.31 2.15 0.28 -0.18 1.01 0.08 -4.84 120.40 115.59 1ie5 s VAL 77 Ca 0.15 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1ie5 s VAL 77 Cb -0.07 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1ie5 s VAL 77 CO 0.65 0.03 0.32 -0.67 0.00 0.00 0.00 175.10 175.43 1ie5 n ASP 78 N 0.74 -0.87 0.14 3.32 -0.08 -1.26 -2.49 116.55 116.05 1ie5 n ASP 78 Ca 0.02 -2.65 0.10 0.00 -1.51 0.00 0.00 54.79 50.75 1ie5 n ASP 78 Cb 0.39 1.75 0.51 0.00 2.34 0.00 0.00 41.12 46.11 1ie5 n ASP 78 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ie5 n LYS 79 N -0.49 0.14 0.00 -0.67 4.76 -1.26 -1.22 118.16 119.41 1ie5 n LYS 79 Ca 0.03 0.56 0.12 0.00 -2.87 0.00 0.00 58.31 56.16 1ie5 n LYS 79 Cb 0.48 -1.89 0.59 0.00 -1.84 0.00 0.00 35.03 32.38 1ie5 n LYS 79 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1ie5 n SER 80 N -2.17 0.00 -0.67 4.39 3.41 -1.26 -3.00 113.62 114.32 1ie5 n SER 80 Ca -0.00 0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1ie5 n SER 80 Cb 0.08 -0.35 0.15 0.00 -0.26 0.00 0.00 64.21 63.83 1ie5 n SER 80 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ie5 n ASP 81 N -1.35 2.28 -4.71 4.04 8.00 -0.36 -4.92 116.55 119.53 1ie5 n ASP 81 Ca 0.10 -1.66 -0.42 0.00 0.71 0.00 0.00 54.79 53.52 1ie5 n ASP 81 Cb 0.22 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1ie5 n ASP 81 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1ie5 s GLU 82 N -2.21 4.19 -0.02 -1.24 2.12 -1.16 -4.88 118.70 115.50 1ie5 s GLU 82 Ca 0.26 2.40 -0.25 0.00 0.36 0.00 0.00 54.97 57.74 1ie5 s GLU 82 Cb 0.19 -3.34 0.05 0.00 0.26 0.00 0.00 34.13 31.29 1ie5 s GLU 82 CO 0.42 -0.69 0.54 0.00 -0.54 0.00 0.00 175.26 174.99 1ie5 s ALA 83 N 1.82 -1.40 -0.31 6.30 0.00 -0.84 -4.87 121.76 122.47 1ie5 s ALA 83 Ca 0.73 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1ie5 s ALA 83 Cb -0.43 0.10 0.07 0.00 0.00 0.00 0.00 23.12 22.85 1ie5 s ALA 83 CO 0.32 -0.36 0.00 -2.00 0.00 0.00 0.00 175.76 173.72 1ie5 s GLU 84 N -1.47 2.17 -0.27 0.00 2.12 -1.26 -0.75 118.70 119.24 1ie5 s GLU 84 Ca -0.11 -1.46 -0.17 0.00 0.36 0.00 0.00 54.97 53.60 1ie5 s GLU 84 Cb -0.02 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1ie5 s GLU 84 CO 0.06 -0.71 0.45 0.71 -0.54 0.00 0.00 175.26 175.23 1ie5 s TYR 85 N 1.14 3.25 -0.22 5.30 1.51 0.22 -2.99 117.35 125.55 1ie5 s TYR 85 Ca -0.02 0.51 -0.08 0.00 -1.01 0.00 0.00 57.07 56.47 1ie5 s TYR 85 Cb -0.20 -2.67 -0.04 0.00 -0.11 0.00 0.00 41.96 38.94 1ie5 s TYR 85 CO -0.04 -0.28 0.08 0.42 -1.11 0.00 0.00 175.55 174.63 1ie5 s ILE 86 N 2.21 4.65 -0.04 2.71 1.09 -1.26 -1.38 121.20 129.19 1ie5 s ILE 86 Ca 0.18 -0.07 0.04 0.00 -1.10 0.00 0.00 60.65 59.71 1ie5 s ILE 86 Cb -0.16 -3.14 -0.01 0.00 -1.06 0.00 0.00 42.46 38.09 1ie5 s ILE 86 CO 0.10 0.38 -0.17 0.00 -0.10 0.00 0.00 174.94 175.15 1ie5 s ILE 88 N -0.05 0.37 0.08 0.00 1.01 -0.36 -1.06 121.20 121.18 1ie5 s ILE 88 Ca -0.02 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1ie5 s ILE 88 Cb -0.10 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 1ie5 s ILE 88 CO 0.02 0.12 -0.11 0.00 0.00 0.00 0.00 174.94 174.96 1ie5 s ALA 89 N 0.10 1.08 -0.08 9.38 0.00 -0.11 -1.24 121.76 130.89 1ie5 s ALA 89 Ca -0.01 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 1ie5 s ALA 89 Cb -0.04 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1ie5 s ALA 89 CO -0.00 0.04 0.37 -2.00 0.00 0.00 0.00 175.76 174.16 1ie5 s GLU 90 N -2.26 0.58 0.00 0.00 2.12 0.43 -0.78 118.70 118.78 1ie5 s GLU 90 Ca 0.01 0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1ie5 s GLU 90 Cb -0.06 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.59 1ie5 s GLU 90 CO 0.01 -0.13 0.00 0.27 -0.54 0.00 0.00 175.26 174.88 1ie5 n ASN 91 N 2.06 0.00 0.14 -1.70 0.23 -0.13 -0.61 115.26 115.24 1ie5 n ASN 91 Ca -0.17 -0.46 0.13 0.00 -0.53 0.00 0.00 54.58 53.55 1ie5 n ASN 91 Cb 0.57 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.66 1ie5 n ASN 91 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1ie5 h LYS 92 N 0.00 0.00 0.00 -3.83 1.79 -1.92 -3.25 116.57 109.36 1ie5 h LYS 92 Ca 0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1ie5 h LYS 92 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1ie5 h LYS 92 CO 0.00 0.00 -2.05 0.00 -1.08 0.00 0.00 179.45 176.32 1ie5 n ALA 93 N -1.85 2.56 0.00 3.86 0.00 -1.26 -4.90 120.51 118.92 1ie5 n ALA 93 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1ie5 n ALA 93 Cb 0.41 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1ie5 n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ie5 n GLY 94 N 1.35 -0.78 3.31 0.00 0.00 -1.23 -4.59 105.19 103.25 1ie5 n GLY 94 Ca -0.09 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 1ie5 n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ie5 s GLU 95 N -0.33 0.73 0.29 1.61 2.12 -1.26 -0.96 118.70 120.90 1ie5 s GLU 95 Ca 0.00 0.03 -0.14 0.00 0.36 0.00 0.00 54.97 55.22 1ie5 s GLU 95 Cb 0.00 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.74 1ie5 s GLU 95 CO 0.00 -0.20 0.60 -1.14 -0.54 0.00 0.00 175.26 173.99 1ie5 s GLN 96 N -1.05 1.79 0.13 4.30 0.74 0.04 -4.84 119.66 120.76 1ie5 s GLN 96 Ca -0.11 -1.28 -0.16 0.00 0.05 0.00 0.00 55.36 53.87 1ie5 s GLN 96 Cb -0.04 0.53 0.03 0.00 1.10 0.00 0.00 33.01 34.64 1ie5 s GLN 96 CO 0.05 -0.78 0.40 0.16 -0.55 0.00 0.00 175.29 174.56 1ie5 s ASP 97 N -3.03 -0.22 0.16 6.67 -4.77 -1.26 -0.93 116.67 113.28 1ie5 s ASP 97 Ca 0.19 -0.34 -0.01 0.00 -3.30 0.00 0.00 52.55 49.10 1ie5 s ASP 97 Cb -0.03 0.47 0.00 0.00 -1.09 0.00 0.00 42.92 42.27 1ie5 s ASP 97 CO 0.10 -0.85 0.22 0.00 0.70 0.00 0.00 175.17 175.34 1ie5 n ALA 98 N -0.22 -0.14 -3.30 2.11 0.00 -0.23 -4.83 120.51 113.89 1ie5 n ALA 98 Ca -0.16 -0.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.41 1ie5 n ALA 98 Cb 0.64 0.59 -0.09 0.00 0.00 0.00 0.00 19.45 20.59 1ie5 n ALA 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ie5 s THR 99 N -2.60 0.02 0.10 0.00 2.01 -1.26 -1.80 115.64 112.11 1ie5 s THR 99 Ca 0.13 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 1ie5 s THR 99 Cb -0.00 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 1ie5 s THR 99 CO 0.09 -0.11 0.05 -0.63 -0.69 0.00 0.00 174.62 173.33 1ie5 s ILE 100 N -0.58 0.15 0.06 1.82 1.01 -0.48 -4.78 121.20 118.40 1ie5 s ILE 100 Ca -0.07 -1.78 0.04 0.00 0.00 0.00 0.00 60.65 58.84 1ie5 s ILE 100 Cb -0.04 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1ie5 s ILE 100 CO 0.03 -0.69 -0.12 -1.00 0.00 0.00 0.00 174.94 173.17 1ie5 s HIS 101 N -3.98 0.99 -0.23 3.97 3.76 -1.25 -0.61 115.29 117.95 1ie5 s HIS 101 Ca 0.15 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1ie5 s HIS 101 Cb 0.07 -0.57 0.07 0.00 1.11 0.00 0.00 32.58 33.26 1ie5 s HIS 101 CO -0.04 0.00 0.01 -1.17 -0.85 0.00 0.00 174.74 172.69 1ie5 s LEU 102 N -1.63 2.00 -0.63 0.89 2.96 0.07 -0.79 118.68 121.55 1ie5 s LEU 102 Ca -0.05 -1.11 -0.13 0.00 -0.22 0.00 0.00 54.13 52.62 1ie5 s LEU 102 Cb -0.10 -0.90 0.16 0.00 0.50 0.00 0.00 46.19 45.85 1ie5 s LEU 102 CO 0.01 -0.29 0.55 -0.54 -1.32 0.00 0.00 176.35 174.77 1ie5 s LYS 103 N 1.61 3.05 0.09 1.98 1.02 -0.13 -1.98 119.74 125.37 1ie5 s LYS 103 Ca -0.01 -2.06 -0.26 0.00 0.02 0.00 0.00 55.97 53.66 1ie5 s LYS 103 Cb -0.18 -4.21 -0.06 0.00 -0.52 0.00 0.00 37.83 32.86 1ie5 s LYS 103 CO -0.09 -1.27 0.81 0.08 -0.92 0.00 0.00 175.35 173.95 1ie5 s VAL 104 N 0.90 4.60 -0.07 3.17 1.01 -1.26 -3.89 120.40 124.87 1ie5 s VAL 104 Ca 0.10 1.74 0.02 0.00 0.00 0.00 0.00 61.98 63.84 1ie5 s VAL 104 Cb -0.22 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1ie5 s VAL 104 CO -0.02 0.39 -0.10 0.72 0.00 0.00 0.00 175.10 176.08 1ie5 s PHE 105 N -0.28 2.83 -0.75 5.22 -0.71 -0.52 -4.92 117.98 118.85 1ie5 s PHE 105 Ca 0.40 -0.10 -0.01 0.00 -1.04 0.00 0.00 56.93 56.18 1ie5 s PHE 105 Cb -0.22 -1.69 0.38 0.00 -1.21 0.00 0.00 43.02 40.28 1ie5 s PHE 105 CO 0.25 0.23 1.87 0.00 -1.34 0.00 0.00 175.22 176.23 1ie5 n ALA 106 N 2.36 6.25 -0.43 1.99 0.00 -1.26 -0.74 120.51 128.68 1ie5 n ALA 106 Ca -0.18 -4.06 0.00 0.00 0.00 0.00 0.00 53.44 49.21 1ie5 n ALA 106 Cb 0.53 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13