#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 0.92 -0.17 1.61 2.20 -1.26 -5.01 119.74 118.03 1ie5 s LYS 2 Ca 0.00 0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 55.86 1ie5 s LYS 2 Cb 0.00 0.44 -0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1ie5 s LYS 2 CO 0.00 -0.23 0.96 0.16 -0.36 0.00 0.00 175.35 175.89 1ie5 s ASP 3 N -0.56 7.10 -0.01 1.43 -4.77 -1.26 -4.65 116.67 113.96 1ie5 s ASP 3 Ca -0.06 1.36 0.22 0.00 -3.30 0.00 0.00 52.55 50.77 1ie5 s ASP 3 Cb -0.02 -2.52 -0.25 0.00 -1.09 0.00 0.00 42.92 39.04 1ie5 s ASP 3 CO 0.05 -0.52 0.73 -0.38 0.70 0.00 0.00 175.17 175.76 1ie5 n ILE 4 N 4.90 0.02 -1.79 2.11 2.08 -1.26 -5.03 119.36 120.40 1ie5 n ILE 4 Ca 0.09 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1ie5 n ILE 4 Cb 0.48 0.47 0.00 0.00 -0.75 0.00 0.00 39.64 39.84 1ie5 n ILE 4 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1ie5 n GLN 5 N -1.89 0.00 -0.84 0.38 7.27 -1.26 -5.01 117.38 116.03 1ie5 n GLN 5 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.92 1ie5 n GLN 5 Cb 0.45 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.00 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ie5 n VAL 6 N 0.00 2.60 -3.42 1.69 0.31 -1.26 -4.65 118.33 113.60 1ie5 n VAL 6 Ca 0.00 -1.40 -0.11 0.00 -0.01 0.00 0.00 64.34 62.82 1ie5 n VAL 6 Cb 0.00 -2.03 -0.09 0.00 -0.91 0.00 0.00 33.84 30.81 1ie5 n VAL 6 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ie5 s ILE 7 N 1.89 -0.55 0.15 2.52 1.01 -1.26 -5.16 121.20 119.80 1ie5 s ILE 7 Ca 0.52 -0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.94 1ie5 s ILE 7 Cb 0.21 -0.75 -0.07 0.00 0.01 0.00 0.00 42.46 41.85 1ie5 s ILE 7 CO -0.01 -0.10 0.65 -0.69 0.00 0.00 0.00 174.94 174.78 1ie5 s VAL 8 N 2.51 4.64 -0.65 2.92 1.01 -1.26 -4.04 120.40 125.53 1ie5 s VAL 8 Ca 0.10 1.26 -0.21 0.00 0.00 0.00 0.00 61.98 63.13 1ie5 s VAL 8 Cb -0.15 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.41 1ie5 s VAL 8 CO -0.14 0.40 0.89 0.54 0.00 0.00 0.00 175.10 176.78 1ie5 s ASN 9 N -1.38 6.20 -0.26 3.32 2.20 -1.26 -4.44 114.94 119.33 1ie5 s ASN 9 Ca 0.36 -1.19 -0.10 0.00 -0.94 0.00 0.00 52.86 50.99 1ie5 s ASN 9 Cb -0.19 -2.38 -0.05 0.00 -2.00 0.00 0.00 41.25 36.64 1ie5 s ASN 9 CO 0.21 -1.32 0.16 -0.69 -2.94 0.00 0.00 177.10 172.52 1ie5 s VAL 10 N 3.55 5.21 0.94 3.54 1.01 0.38 -4.87 120.40 130.16 1ie5 s VAL 10 Ca 0.19 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 1ie5 s VAL 10 Cb -0.19 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.82 1ie5 s VAL 10 CO 0.08 0.31 0.68 -2.65 0.00 0.00 0.00 175.10 173.52 1ie5 n PRO 11 N 4.66 -0.37 -1.98 2.72 -0.02 -1.26 -3.14 135.00 135.60 1ie5 n PRO 11 Ca -0.15 -0.06 -0.37 0.00 -2.02 0.00 0.00 63.50 60.91 1ie5 n PRO 11 Cb 0.52 -2.05 0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1ie5 n PRO 11 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ie5 s PRO 12 N -4.01 3.06 -0.43 0.52 0.02 -1.26 -4.60 135.00 128.29 1ie5 s PRO 12 Ca 0.61 1.91 0.09 0.00 0.02 0.00 0.00 61.00 63.62 1ie5 s PRO 12 Cb -0.22 -2.03 0.28 0.00 0.02 0.00 0.00 34.50 32.55 1ie5 s PRO 12 CO 0.64 -1.16 0.64 0.45 -0.33 0.00 0.00 177.00 177.24 1ie5 n SER 13 N -1.39 1.19 -4.78 2.53 2.88 0.13 -4.63 113.62 109.55 1ie5 n SER 13 Ca 0.13 -2.96 -0.38 0.00 -1.33 0.00 0.00 58.87 54.32 1ie5 n SER 13 Cb 0.48 -0.63 -0.06 0.00 -0.75 0.00 0.00 64.21 63.25 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 -1.96 4.94 0.20 2.46 0.11 -1.26 -3.10 120.40 121.79 1ie5 s VAL 14 Ca 0.38 1.12 -0.00 0.00 -2.93 0.00 0.00 61.98 60.56 1ie5 s VAL 14 Cb 0.23 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 1ie5 s VAL 14 CO -0.09 0.45 0.09 -0.13 -3.33 0.00 0.00 175.10 172.09 1ie5 s ARG 15 N -0.37 1.19 -0.06 1.54 3.00 -0.23 -4.52 118.95 119.50 1ie5 s ARG 15 Ca 0.29 -1.62 -0.22 0.00 0.00 0.00 0.00 55.73 54.17 1ie5 s ARG 15 Cb -0.18 0.05 -0.04 0.00 0.00 0.00 0.00 34.95 34.78 1ie5 s ARG 15 CO 0.16 -0.31 0.66 0.00 0.00 0.00 0.00 175.30 175.81 1ie5 s ALA 16 N -3.96 3.37 -0.61 2.13 0.00 -1.26 -1.09 121.76 120.33 1ie5 s ALA 16 Ca 0.34 0.09 0.25 0.00 0.00 0.00 0.00 51.96 52.63 1ie5 s ALA 16 Cb 0.07 -2.90 0.56 0.00 0.00 0.00 0.00 23.12 20.86 1ie5 s ALA 16 CO 0.09 -0.06 1.61 -0.09 0.00 0.00 0.00 175.76 177.32 1ie5 h ARG 17 N 6.62 0.00 -2.60 0.00 9.65 -1.70 -3.47 114.38 122.89 1ie5 h ARG 17 Ca -0.41 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.48 1ie5 h ARG 17 Cb 1.19 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.63 1ie5 h ARG 17 CO 0.75 0.00 0.31 -1.14 2.80 0.00 0.00 179.97 182.68 1ie5 s GLN 18 N -3.16 1.09 -0.18 0.20 -0.44 -1.26 -4.96 119.66 110.95 1ie5 s GLN 18 Ca 0.08 -0.30 0.04 0.00 -2.50 0.00 0.00 55.36 52.68 1ie5 s GLN 18 Cb 0.10 0.50 -0.22 0.00 -1.64 0.00 0.00 33.01 31.76 1ie5 s GLN 18 CO 0.65 -0.45 0.11 0.43 0.50 0.00 0.00 175.29 176.52 1ie5 n SER 19 N -0.13 1.53 -3.36 6.67 7.64 -1.26 -4.67 113.62 120.04 1ie5 n SER 19 Ca -0.14 0.06 -0.17 0.00 1.01 0.00 0.00 58.87 59.62 1ie5 n SER 19 Cb 0.63 -0.25 -0.08 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.54 -0.36 0.71 0.44 2.01 -1.26 -1.67 115.64 112.98 1ie5 s THR 20 Ca -0.23 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 60.80 1ie5 s THR 20 Cb 0.08 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1ie5 s THR 20 CO 0.72 -0.55 1.06 -0.04 -0.69 0.00 0.00 174.62 175.12 1ie5 s MET 21 N 1.65 2.83 0.05 4.92 -1.94 0.37 -4.97 119.30 122.21 1ie5 s MET 21 Ca 0.15 0.93 -0.27 0.00 -1.71 0.00 0.00 55.69 54.79 1ie5 s MET 21 Cb -0.15 -1.98 0.07 0.00 2.01 0.00 0.00 34.83 34.79 1ie5 s MET 21 CO -0.10 -1.17 0.67 0.54 -0.01 0.00 0.00 175.02 174.94 1ie5 s ASN 22 N -3.79 -0.59 -0.04 3.03 2.20 -1.26 -1.65 114.94 112.83 1ie5 s ASN 22 Ca 0.58 0.33 -0.29 0.00 -0.94 0.00 0.00 52.86 52.54 1ie5 s ASN 22 Cb -0.14 0.55 0.11 0.00 -2.00 0.00 0.00 41.25 39.76 1ie5 s ASN 22 CO 0.55 -0.77 0.90 0.00 -2.94 0.00 0.00 177.10 174.84 1ie5 s ALA 23 N -2.51 -1.84 -0.21 3.54 0.00 -1.17 -4.98 121.76 114.59 1ie5 s ALA 23 Ca -0.04 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 1ie5 s ALA 23 Cb -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1ie5 s ALA 23 CO -0.02 -0.58 0.55 0.99 0.00 0.00 0.00 175.76 176.70 1ie5 s THR 24 N -2.54 5.08 0.67 0.00 2.01 -1.26 -1.60 115.64 118.01 1ie5 s THR 24 Ca 0.02 1.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.90 1ie5 s THR 24 Cb -0.01 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1ie5 s THR 24 CO -0.05 0.15 1.10 0.00 -0.69 0.00 0.00 174.62 175.12 1ie5 s ALA 25 N 1.79 2.48 0.00 7.40 0.00 0.39 -4.22 121.76 129.59 1ie5 s ALA 25 Ca 0.25 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1ie5 s ALA 25 Cb -0.16 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1ie5 s ALA 25 CO 0.10 -1.30 0.00 0.09 0.00 0.00 0.00 175.76 174.64 1ie5 n ASN 26 N -2.62 -2.71 -0.32 0.00 3.02 -0.92 -4.84 115.26 106.88 1ie5 n ASN 26 Ca 0.10 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.78 1ie5 n ASN 26 Cb 0.52 -0.97 0.43 0.00 -0.61 0.00 0.00 39.78 39.16 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ie5 n LEU 27 N 0.00 1.17 -1.85 3.41 4.77 -1.26 -4.97 117.00 118.27 1ie5 n LEU 27 Ca 0.00 -0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 55.47 1ie5 n LEU 27 Cb 0.08 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1ie5 n LEU 27 CO 0.00 0.21 -0.21 -1.20 -1.33 0.00 0.00 177.39 174.86 1ie5 n SER 28 N -0.38 -5.18 -3.87 -1.43 7.64 -1.26 -5.01 113.62 104.13 1ie5 n SER 28 Ca 0.14 0.10 -0.21 0.00 1.01 0.00 0.00 58.87 59.92 1ie5 n SER 28 Cb 0.35 -4.25 0.12 0.00 -1.01 0.00 0.00 64.21 59.42 1ie5 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ie5 n GLN 29 N -2.65 -0.40 -4.77 1.43 0.00 -1.26 -4.55 117.38 105.17 1ie5 n GLN 29 Ca -0.20 -2.00 -0.27 0.00 0.00 0.00 0.00 57.00 54.53 1ie5 n GLN 29 Cb 0.64 -0.77 -0.14 0.00 0.00 0.00 0.00 30.24 29.97 1ie5 n GLN 29 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1ie5 s SER 30 N -4.57 2.63 -0.00 2.61 1.04 -1.26 -0.64 113.70 113.51 1ie5 s SER 30 Ca 0.57 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.49 1ie5 s SER 30 Cb -0.02 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.86 1ie5 s SER 30 CO 0.39 0.20 -0.03 -0.69 0.98 0.00 0.00 173.24 174.09 1ie5 s VAL 31 N -0.75 0.21 0.07 5.02 1.01 0.23 -5.00 120.40 121.18 1ie5 s VAL 31 Ca 0.08 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.04 1ie5 s VAL 31 Cb -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1ie5 s VAL 31 CO 0.01 0.06 -0.23 -0.89 0.00 0.00 0.00 175.10 174.06 1ie5 s THR 32 N -0.05 2.48 0.24 3.92 2.01 -1.26 -0.58 115.64 122.40 1ie5 s THR 32 Ca 0.01 -1.40 -0.21 0.00 0.31 0.00 0.00 61.69 60.40 1ie5 s THR 32 Cb -0.01 -2.04 0.03 0.00 0.01 0.00 0.00 72.50 70.49 1ie5 s THR 32 CO -0.00 0.27 0.66 -1.48 -0.69 0.00 0.00 174.62 173.39 1ie5 s LEU 33 N -1.57 -0.27 -0.01 4.42 0.05 -1.05 -5.02 118.68 115.23 1ie5 s LEU 33 Ca 0.14 -0.48 -0.29 0.00 0.05 0.00 0.00 54.13 53.55 1ie5 s LEU 33 Cb -0.10 2.60 0.07 0.00 -2.05 0.00 0.00 46.19 46.71 1ie5 s LEU 33 CO 0.05 -1.23 0.68 0.00 -0.55 0.00 0.00 176.35 175.31 1ie5 s ALA 34 N -3.88 -1.75 -0.66 1.48 0.00 -1.26 -0.67 121.76 115.02 1ie5 s ALA 34 Ca 0.09 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.26 1ie5 s ALA 34 Cb -0.04 0.14 0.30 0.00 0.00 0.00 0.00 23.12 23.52 1ie5 s ALA 34 CO 0.02 -0.45 0.94 0.00 0.00 0.00 0.00 175.76 176.27 1ie5 n ASP 36 N 0.32 3.39 -4.97 0.00 5.75 -0.25 -4.58 116.55 116.22 1ie5 n ASP 36 Ca 0.31 0.62 -0.21 0.00 -0.01 0.00 0.00 54.79 55.50 1ie5 n ASP 36 Cb 0.39 -1.46 -0.02 0.00 -1.03 0.00 0.00 41.12 39.00 1ie5 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ie5 s ALA 37 N 6.07 3.91 0.10 2.12 0.00 -1.26 -1.07 121.76 131.63 1ie5 s ALA 37 Ca 0.97 -1.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.48 1ie5 s ALA 37 Cb -0.53 -1.78 0.08 0.00 0.00 0.00 0.00 23.12 20.89 1ie5 s ALA 37 CO 0.43 0.18 0.71 0.34 0.00 0.00 0.00 175.76 177.43 1ie5 s ASP 38 N -4.00 -0.48 0.00 0.00 2.15 -1.18 -4.10 116.67 109.06 1ie5 s ASP 38 Ca 0.36 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.32 1ie5 s ASP 38 Cb -0.09 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.05 1ie5 s ASP 38 CO 0.30 -0.85 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 1ie5 n GLY 39 N -0.33 0.87 3.03 2.66 0.00 -1.26 -0.69 105.19 109.47 1ie5 n GLY 39 Ca -0.14 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 44.78 1ie5 n GLY 39 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ie5 s PHE 40 N -2.00 -0.91 0.64 1.61 5.36 -1.19 -3.45 117.98 118.04 1ie5 s PHE 40 Ca 0.00 1.12 -0.17 0.00 -0.96 0.00 0.00 56.93 56.91 1ie5 s PHE 40 Cb 0.00 0.16 -0.04 0.00 -0.34 0.00 0.00 43.02 42.81 1ie5 s PHE 40 CO 0.00 -0.68 0.91 -2.30 -1.46 0.00 0.00 175.22 171.69 1ie5 n PRO 41 N 5.38 0.73 -1.54 10.12 -0.02 -1.26 -0.47 135.00 147.93 1ie5 n PRO 41 Ca -0.05 0.29 -0.49 0.00 -2.02 0.00 0.00 63.50 61.24 1ie5 n PRO 41 Cb 0.50 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 1ie5 n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ie5 n GLU 42 N -1.17 0.91 -2.00 -0.52 1.02 -1.22 -4.88 120.64 112.77 1ie5 n GLU 42 Ca 0.13 0.32 -0.30 0.00 -0.02 0.00 0.00 57.16 57.30 1ie5 n GLU 42 Cb 0.48 -1.70 0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1ie5 n GLU 42 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ie5 s PRO 43 N -0.71 3.12 -0.10 3.49 0.04 -1.26 -4.97 135.00 134.61 1ie5 s PRO 43 Ca 0.70 0.46 -0.05 0.00 0.04 0.00 0.00 61.00 62.14 1ie5 s PRO 43 Cb -0.87 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 1ie5 s PRO 43 CO 0.55 -0.80 0.11 0.99 0.04 0.00 0.00 177.00 177.88 1ie5 s THR 44 N -3.22 5.19 0.08 1.26 2.01 0.18 -4.95 115.64 116.19 1ie5 s THR 44 Ca 0.56 0.04 -0.19 0.00 0.31 0.00 0.00 61.69 62.41 1ie5 s THR 44 Cb -0.11 -3.27 0.04 0.00 0.01 0.00 0.00 72.50 69.17 1ie5 s THR 44 CO 0.51 0.57 0.45 0.00 -0.69 0.00 0.00 174.62 175.46 1ie5 s MET 45 N -1.13 1.02 0.15 4.92 0.23 -1.26 -0.42 119.30 122.82 1ie5 s MET 45 Ca 0.16 -0.45 -0.13 0.00 -1.03 0.00 0.00 55.69 54.24 1ie5 s MET 45 Cb -0.12 0.46 0.01 0.00 -1.53 0.00 0.00 34.83 33.65 1ie5 s MET 45 CO 0.06 -0.38 0.37 0.95 -2.03 0.00 0.00 175.02 173.99 1ie5 s THR 46 N -2.99 0.07 0.11 3.16 -4.23 -0.82 -5.02 115.64 105.91 1ie5 s THR 46 Ca -0.02 -0.98 -0.21 0.00 -1.18 0.00 0.00 61.69 59.30 1ie5 s THR 46 Cb 0.00 -1.53 0.05 0.00 1.34 0.00 0.00 72.50 72.37 1ie5 s THR 46 CO -0.06 -0.30 0.52 -1.66 -0.54 0.00 0.00 174.62 172.58 1ie5 s TRP 47 N -3.88 -0.40 0.21 3.99 1.48 -1.26 -1.62 118.94 117.45 1ie5 s TRP 47 Ca 0.10 0.25 0.05 0.00 -1.06 0.00 0.00 56.10 55.43 1ie5 s TRP 47 Cb 0.02 0.40 -0.05 0.00 -1.16 0.00 0.00 33.47 32.68 1ie5 s TRP 47 CO -0.05 -0.74 -0.06 0.95 -4.06 0.00 0.00 176.95 172.99 1ie5 s THR 48 N -3.35 1.27 -0.40 0.66 -4.23 -0.48 -0.77 115.64 108.35 1ie5 s THR 48 Ca -0.00 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1ie5 s THR 48 Cb 0.00 -2.18 0.10 0.00 1.34 0.00 0.00 72.50 71.77 1ie5 s THR 48 CO -0.09 -0.48 0.18 -1.59 -0.54 0.00 0.00 174.62 172.10 1ie5 s LYS 49 N -3.78 2.01 0.00 3.99 -2.85 -0.18 -1.96 119.74 116.97 1ie5 s LYS 49 Ca 0.24 -1.78 0.00 0.00 -1.00 0.00 0.00 55.97 53.44 1ie5 s LYS 49 Cb 0.04 -3.54 0.00 0.00 -2.06 0.00 0.00 37.83 32.27 1ie5 s LYS 49 CO 0.07 -1.03 0.00 -0.25 0.10 0.00 0.00 175.35 174.23 1ie5 n ASP 50 N 4.58 0.00 0.00 0.03 9.92 -0.32 -2.80 116.55 127.96 1ie5 n ASP 50 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1ie5 n ASP 50 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1ie5 n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ie5 n GLY 51 N 0.00 0.02 3.87 0.44 0.00 -1.26 -5.04 105.19 103.21 1ie5 n GLY 51 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.70 0.30 1.61 -1.05 -1.12 -5.01 118.70 117.13 1ie5 s GLU 52 Ca 0.00 0.11 -0.20 0.00 -0.15 0.00 0.00 54.97 54.73 1ie5 s GLU 52 Cb 0.00 -3.10 -0.09 0.00 -0.44 0.00 0.00 34.13 30.49 1ie5 s GLU 52 CO 0.00 0.65 0.81 -1.25 0.95 0.00 0.00 175.26 176.42 1ie5 s PRO 53 N -1.54 4.27 -0.00 -4.83 0.04 -1.26 -1.01 135.00 130.66 1ie5 s PRO 53 Ca 0.26 0.97 0.18 0.00 0.04 0.00 0.00 61.00 62.45 1ie5 s PRO 53 Cb -0.14 -2.65 0.53 0.00 0.04 0.00 0.00 34.50 32.28 1ie5 s PRO 53 CO 0.14 0.25 1.44 -0.89 0.04 0.00 0.00 177.00 177.98 1ie5 n ILE 54 N 0.21 1.02 -0.26 0.56 5.41 0.05 -4.90 119.36 121.45 1ie5 n ILE 54 Ca 0.02 -1.01 -0.03 0.00 1.00 0.00 0.00 62.75 62.72 1ie5 n ILE 54 Cb 0.52 0.49 -0.04 0.00 -0.71 0.00 0.00 39.64 39.90 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 1.24 0.00 0.00 0.38 0.28 -1.26 -4.70 120.64 116.58 1ie5 n GLU 55 Ca 0.20 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.24 1ie5 n GLU 55 Cb 0.56 -0.19 0.23 0.00 1.43 0.00 0.00 31.44 33.47 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 0.99 0.21 0.00 3.44 3.00 -1.26 -0.32 117.38 123.44 1ie5 n GLN 56 Ca 0.11 0.07 0.13 0.00 -0.01 0.00 0.00 57.00 57.30 1ie5 n GLN 56 Cb 0.04 -1.50 0.39 0.00 0.00 0.00 0.00 30.24 29.17 1ie5 n GLN 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1ie5 n GLU 57 N -1.10 0.58 0.00 -1.09 1.02 -1.26 -4.68 120.64 114.11 1ie5 n GLU 57 Ca 0.05 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1ie5 n GLU 57 Cb 0.04 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1ie5 n GLU 57 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ie5 n ASP 58 N -0.93 0.00 -4.42 1.62 2.03 -0.67 -5.05 116.55 109.14 1ie5 n ASP 58 Ca 0.11 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.98 1ie5 n ASP 58 Cb 0.33 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.87 6.21 0.00 1.67 2.47 0.56 -4.86 114.94 120.12 1ie5 s ASN 59 Ca 0.00 -1.12 0.00 0.00 0.42 0.00 0.00 52.86 52.16 1ie5 s ASN 59 Cb 0.00 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 1ie5 s ASN 59 CO 0.00 -1.02 0.61 -0.62 -3.72 0.00 0.00 177.10 172.35 1ie5 n GLU 60 N 6.34 0.92 -0.05 0.43 1.02 -1.26 -4.00 120.64 124.04 1ie5 n GLU 60 Ca -0.07 -0.77 0.01 0.00 -0.02 0.00 0.00 57.16 56.30 1ie5 n GLU 60 Cb 0.44 -0.72 0.01 0.00 -0.02 0.00 0.00 31.44 31.16 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 -0.17 -0.02 -2.70 3.49 -0.58 -1.26 -1.98 120.64 117.43 1ie5 n GLU 61 Ca 0.00 0.20 -0.06 0.00 -0.42 0.00 0.00 57.16 56.88 1ie5 n GLU 61 Cb 0.34 -0.30 0.10 0.00 -0.57 0.00 0.00 31.44 31.00 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 -4.21 1.25 -3.54 3.49 2.85 -1.26 -5.11 118.16 111.63 1ie5 n LYS 62 Ca 0.02 -2.12 -0.09 0.00 -1.05 0.00 0.00 58.31 55.07 1ie5 n LYS 62 Cb 0.06 -0.31 -0.03 0.00 -0.65 0.00 0.00 35.03 34.10 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 -0.35 0.07 5.58 -0.85 -0.83 -1.32 117.35 118.88 1ie5 s TYR 63 Ca 0.21 0.40 -0.27 0.00 -0.52 0.00 0.00 57.07 56.88 1ie5 s TYR 63 Cb 0.42 0.50 0.09 0.00 0.38 0.00 0.00 41.96 43.34 1ie5 s TYR 63 CO -0.07 -0.44 1.02 0.45 -1.52 0.00 0.00 175.55 174.99 1ie5 s SER 64 N -1.88 -0.19 0.28 -0.18 0.15 -1.02 -4.55 113.70 106.31 1ie5 s SER 64 Ca 0.02 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.47 1ie5 s SER 64 Cb -0.01 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.67 1ie5 s SER 64 CO -0.04 -0.69 0.29 2.22 1.20 0.00 0.00 173.24 176.22 1ie5 n PHE 65 N -0.40 -0.85 -2.97 3.44 -1.74 -1.26 -1.24 117.46 112.44 1ie5 n PHE 65 Ca -0.07 -2.20 -0.19 0.00 -0.56 0.00 0.00 57.45 54.43 1ie5 n PHE 65 Cb 0.61 0.31 0.05 0.00 1.52 0.00 0.00 39.48 41.97 1ie5 n PHE 65 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1ie5 s ASN 66 N -2.88 5.15 -0.09 5.98 2.20 -1.26 -5.02 114.94 119.02 1ie5 s ASN 66 Ca 0.30 -0.68 0.13 0.00 -0.94 0.00 0.00 52.86 51.67 1ie5 s ASN 66 Cb 0.01 0.03 -0.19 0.00 -2.00 0.00 0.00 41.25 39.10 1ie5 s ASN 66 CO 0.21 -1.27 0.15 -1.22 -2.94 0.00 0.00 177.10 172.04 1ie5 n TYR 67 N -2.23 0.00 -0.40 1.54 4.01 -1.26 -4.37 117.16 114.45 1ie5 n TYR 67 Ca 0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.79 1ie5 n TYR 67 Cb 0.61 -0.53 0.17 0.00 -0.31 0.00 0.00 39.34 39.28 1ie5 n TYR 67 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1ie5 n ASP 68 N -2.30 3.71 0.00 7.72 5.75 -1.26 -4.90 116.55 125.27 1ie5 n ASP 68 Ca -0.14 -2.92 0.00 0.00 -0.01 0.00 0.00 54.79 51.72 1ie5 n ASP 68 Cb 0.72 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1ie5 n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ie5 n GLY 69 N -0.26 -0.58 0.36 6.12 0.00 -1.26 -4.93 105.19 104.64 1ie5 n GLY 69 Ca 0.33 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1ie5 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ie5 n SER 70 N 0.00 0.00 -4.56 1.61 7.64 -1.26 -4.54 113.62 112.51 1ie5 n SER 70 Ca 0.00 -1.29 -0.23 0.00 1.01 0.00 0.00 58.87 58.36 1ie5 n SER 70 Cb 0.00 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 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 1.98 -0.42 1.43 8.01 -1.26 -4.07 118.70 124.37 1ie5 s GLU 71 Ca 0.00 0.53 -0.29 0.00 0.01 0.00 0.00 54.97 55.22 1ie5 s GLU 71 Cb 0.00 -4.77 0.02 0.00 -4.31 0.00 0.00 34.13 25.07 1ie5 s GLU 71 CO 0.00 -3.85 1.26 -1.17 0.01 0.00 0.00 175.26 171.51 1ie5 s LEU 72 N 12.82 3.67 -0.28 1.80 2.96 0.15 -4.07 118.68 135.73 1ie5 s LEU 72 Ca 0.87 0.74 -0.15 0.00 -0.22 0.00 0.00 54.13 55.37 1ie5 s LEU 72 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1ie5 s LEU 72 CO 0.11 -1.27 0.38 -0.63 -1.32 0.00 0.00 176.35 173.62 1ie5 s ILE 73 N 4.76 5.16 -0.15 6.68 1.01 -0.37 -2.53 121.20 135.77 1ie5 s ILE 73 Ca 0.54 0.51 -0.05 0.00 0.00 0.00 0.00 60.65 61.65 1ie5 s ILE 73 Cb -0.11 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1ie5 s ILE 73 CO 0.30 0.11 0.02 -0.63 0.00 0.00 0.00 174.94 174.74 1ie5 s ILE 74 N 2.09 4.43 0.17 2.92 1.01 0.25 -2.43 121.20 129.64 1ie5 s ILE 74 Ca 0.15 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.70 1ie5 s ILE 74 Cb -0.16 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1ie5 s ILE 74 CO 0.10 0.51 -0.02 -1.59 0.00 0.00 0.00 174.94 173.94 1ie5 s LYS 75 N 0.02 2.34 -1.20 2.79 -2.85 -0.43 -0.60 119.74 119.80 1ie5 s LYS 75 Ca 0.04 -1.11 -0.00 0.00 -1.00 0.00 0.00 55.97 53.89 1ie5 s LYS 75 Cb -0.13 -2.33 -0.00 0.00 -2.06 0.00 0.00 37.83 33.31 1ie5 s LYS 75 CO 0.02 0.46 0.96 1.17 0.10 0.00 0.00 175.35 178.06 1ie5 n LYS 76 N -0.01 -6.13 -1.65 1.78 4.81 0.19 -4.84 118.16 112.32 1ie5 n LYS 76 Ca -0.10 0.82 -0.44 0.00 -0.87 0.00 0.00 58.31 57.72 1ie5 n LYS 76 Cb 0.55 -5.78 -0.02 0.00 0.02 0.00 0.00 35.03 29.80 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ie5 n VAL 77 N -4.09 1.60 -4.13 3.15 0.31 -1.26 -4.89 118.33 109.02 1ie5 n VAL 77 Ca -0.28 -0.40 -0.15 0.00 -0.01 0.00 0.00 64.34 63.51 1ie5 n VAL 77 Cb 0.67 -1.29 -0.06 0.00 -0.91 0.00 0.00 33.84 32.25 1ie5 n VAL 77 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ie5 s ASP 78 N -0.19 0.90 0.60 4.52 -1.08 -1.26 -2.17 116.67 117.99 1ie5 s ASP 78 Ca 0.62 -1.48 0.29 0.00 -0.52 0.00 0.00 52.55 51.46 1ie5 s ASP 78 Cb -0.66 0.61 1.58 0.00 -1.46 0.00 0.00 42.92 42.99 1ie5 s ASP 78 CO 0.57 -1.19 1.98 0.11 0.52 0.00 0.00 175.17 177.16 1ie5 h LYS 79 N 2.18 0.00 0.00 4.34 1.57 -1.94 -0.89 116.57 121.82 1ie5 h LYS 79 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1ie5 h LYS 79 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1ie5 h LYS 79 CO 0.39 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.14 1ie5 n SER 80 N -3.61 0.56 0.00 0.86 3.41 -1.26 -3.00 113.62 110.59 1ie5 n SER 80 Ca 0.04 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1ie5 n SER 80 Cb 0.49 -0.73 0.38 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.08 0.33 -4.67 4.04 8.00 -0.34 -4.88 116.55 116.95 1ie5 n ASP 81 Ca 0.04 0.04 -0.45 0.00 0.71 0.00 0.00 54.79 55.13 1ie5 n ASP 81 Cb 0.29 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 1ie5 n ASP 81 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ie5 n GLU 82 N -1.52 2.12 -3.50 -1.24 2.13 -1.16 -4.91 120.64 112.55 1ie5 n GLU 82 Ca 0.06 0.76 -0.16 0.00 0.66 0.00 0.00 57.16 58.48 1ie5 n GLU 82 Cb 0.34 -2.48 -0.05 0.00 0.27 0.00 0.00 31.44 29.52 1ie5 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ie5 s ALA 83 N 0.42 -1.75 -0.71 4.31 0.00 -0.47 -5.01 121.76 118.55 1ie5 s ALA 83 Ca 0.73 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.84 1ie5 s ALA 83 Cb -0.66 0.15 0.18 0.00 0.00 0.00 0.00 23.12 22.79 1ie5 s ALA 83 CO 0.44 -0.45 0.55 -2.00 0.00 0.00 0.00 175.76 174.29 1ie5 s GLU 84 N -1.74 2.76 0.15 0.00 2.12 -1.26 -0.88 118.70 119.85 1ie5 s GLU 84 Ca -0.08 -2.85 -0.30 0.00 0.36 0.00 0.00 54.97 52.11 1ie5 s GLU 84 Cb -0.00 -3.76 -0.07 0.00 0.26 0.00 0.00 34.13 30.55 1ie5 s GLU 84 CO 0.05 -1.21 1.17 0.71 -0.54 0.00 0.00 175.26 175.43 1ie5 s TYR 85 N -0.60 3.48 -0.06 5.30 2.02 0.62 -1.18 117.35 126.93 1ie5 s TYR 85 Ca 0.21 1.44 -0.00 0.00 -0.37 0.00 0.00 57.07 58.35 1ie5 s TYR 85 Cb -0.15 -3.38 0.03 0.00 -0.40 0.00 0.00 41.96 38.05 1ie5 s TYR 85 CO -0.07 -1.04 -0.02 0.42 -1.57 0.00 0.00 175.55 173.27 1ie5 s ILE 86 N 0.20 0.44 0.11 2.71 1.01 -0.83 -1.57 121.20 123.28 1ie5 s ILE 86 Ca 0.53 0.02 0.08 0.00 0.00 0.00 0.00 60.65 61.29 1ie5 s ILE 86 Cb -0.31 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1ie5 s ILE 86 CO 0.34 0.24 -0.15 0.00 0.00 0.00 0.00 174.94 175.38 1ie5 s ILE 88 N -1.18 0.98 0.09 0.00 1.09 -0.64 -2.58 121.20 118.96 1ie5 s ILE 88 Ca 0.19 -0.35 0.09 0.00 -1.10 0.00 0.00 60.65 59.48 1ie5 s ILE 88 Cb -0.11 -0.94 -0.04 0.00 -1.06 0.00 0.00 42.46 40.32 1ie5 s ILE 88 CO 0.12 0.33 -0.21 0.00 -0.10 0.00 0.00 174.94 175.07 1ie5 s ALA 89 N 1.00 2.52 -0.06 9.38 0.00 -0.18 -1.95 121.76 132.46 1ie5 s ALA 89 Ca -0.09 -1.32 -0.13 0.00 0.00 0.00 0.00 51.96 50.42 1ie5 s ALA 89 Cb -0.15 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.41 1ie5 s ALA 89 CO -0.00 0.57 0.31 -2.00 0.00 0.00 0.00 175.76 174.63 1ie5 s GLU 90 N -1.78 0.54 0.19 0.00 2.12 0.44 -0.69 118.70 119.51 1ie5 s GLU 90 Ca 0.15 0.07 -0.02 0.00 0.36 0.00 0.00 54.97 55.53 1ie5 s GLU 90 Cb -0.10 0.25 0.01 0.00 0.26 0.00 0.00 34.13 34.54 1ie5 s GLU 90 CO 0.06 -0.12 0.29 0.27 -0.54 0.00 0.00 175.26 175.22 1ie5 n ASN 91 N 1.97 -0.81 0.32 -1.70 6.94 -0.28 -0.65 115.26 121.05 1ie5 n ASN 91 Ca -0.18 -1.94 0.21 0.00 -0.02 0.00 0.00 54.58 52.65 1ie5 n ASN 91 Cb 0.57 1.46 1.04 0.00 -2.36 0.00 0.00 39.78 40.49 1ie5 n ASN 91 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1ie5 h LYS 92 N 0.00 0.00 0.00 -3.83 -0.00 -1.93 -2.95 116.57 107.86 1ie5 h LYS 92 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.46 1ie5 h LYS 92 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.84 1ie5 h LYS 92 CO 0.20 0.00 -1.84 0.00 -0.00 0.00 0.00 179.45 177.80 1ie5 n ALA 93 N -2.07 2.60 0.00 0.07 0.00 -1.26 -1.91 120.51 117.94 1ie5 n ALA 93 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1ie5 n ALA 93 Cb 0.14 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.30 -0.55 3.18 0.00 0.00 -1.11 -4.52 105.19 103.48 1ie5 n GLY 94 Ca -0.06 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.50 0.58 0.19 1.61 2.12 -1.26 -1.13 118.70 120.31 1ie5 s GLU 95 Ca 0.00 -0.27 -0.18 0.00 0.36 0.00 0.00 54.97 54.89 1ie5 s GLU 95 Cb 0.00 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.67 1ie5 s GLU 95 CO 0.00 -0.15 0.52 -1.14 -0.54 0.00 0.00 175.26 173.95 1ie5 s GLN 96 N -1.32 1.38 0.05 4.30 2.00 0.14 -4.79 119.66 121.42 1ie5 s GLN 96 Ca -0.14 -0.86 -0.18 0.00 -2.00 0.00 0.00 55.36 52.19 1ie5 s GLN 96 Cb -0.06 0.52 0.03 0.00 0.80 0.00 0.00 33.01 34.30 1ie5 s GLN 96 CO 0.03 -0.58 0.40 0.16 -0.50 0.00 0.00 175.29 174.80 1ie5 s ASP 97 N -2.87 -0.27 0.29 6.67 -4.77 -1.26 -1.02 116.67 113.44 1ie5 s ASP 97 Ca 0.09 -0.03 -0.11 0.00 -3.30 0.00 0.00 52.55 49.20 1ie5 s ASP 97 Cb -0.01 0.42 0.00 0.00 -1.09 0.00 0.00 42.92 42.25 1ie5 s ASP 97 CO -0.03 -0.67 0.52 0.00 0.70 0.00 0.00 175.17 175.69 1ie5 s ALA 98 N -2.53 -0.12 -0.07 2.11 0.00 -1.06 -4.77 121.76 115.32 1ie5 s ALA 98 Ca -0.05 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 1ie5 s ALA 98 Cb -0.01 1.04 0.02 0.00 0.00 0.00 0.00 23.12 24.17 1ie5 s ALA 98 CO -0.03 -0.86 0.21 0.99 0.00 0.00 0.00 175.76 176.07 1ie5 s THR 99 N -3.61 0.02 0.03 0.00 2.01 -1.26 -1.38 115.64 111.44 1ie5 s THR 99 Ca 0.23 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1ie5 s THR 99 Cb -0.01 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1ie5 s THR 99 CO 0.12 -0.07 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.30 1ie5 s ILE 100 N -0.18 0.26 0.06 1.82 1.09 -0.61 -4.73 121.20 118.91 1ie5 s ILE 100 Ca -0.03 -0.91 0.03 0.00 -1.10 0.00 0.00 60.65 58.64 1ie5 s ILE 100 Cb -0.03 -0.37 -0.04 0.00 -1.06 0.00 0.00 42.46 40.97 1ie5 s ILE 100 CO 0.01 -0.42 0.04 -1.00 -0.10 0.00 0.00 174.94 173.47 1ie5 s HIS 101 N -1.33 3.12 -0.12 3.97 3.76 -0.67 -0.27 115.29 123.75 1ie5 s HIS 101 Ca -0.13 0.07 -0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1ie5 s HIS 101 Cb -0.09 -1.62 0.05 0.00 1.11 0.00 0.00 32.58 32.02 1ie5 s HIS 101 CO -0.00 0.50 0.06 -1.17 -0.85 0.00 0.00 174.74 173.27 1ie5 s LEU 102 N -2.13 0.51 -0.46 0.89 2.96 -0.06 -0.48 118.68 119.90 1ie5 s LEU 102 Ca 0.26 -0.38 -0.12 0.00 -0.22 0.00 0.00 54.13 53.66 1ie5 s LEU 102 Cb -0.12 -0.32 0.09 0.00 0.50 0.00 0.00 46.19 46.34 1ie5 s LEU 102 CO 0.18 -0.29 0.35 -0.54 -1.32 0.00 0.00 176.35 174.73 1ie5 s LYS 103 N 2.06 2.73 -0.00 1.98 -0.14 -0.66 -1.37 119.74 124.34 1ie5 s LYS 103 Ca 0.03 -1.54 -0.14 0.00 -1.36 0.00 0.00 55.97 52.96 1ie5 s LYS 103 Cb -0.15 -3.98 -0.06 0.00 -1.68 0.00 0.00 37.83 31.97 1ie5 s LYS 103 CO -0.07 -1.08 0.38 0.08 -0.76 0.00 0.00 175.35 173.90 1ie5 s VAL 104 N 1.49 5.08 0.08 3.17 1.01 -1.26 -3.06 120.40 126.91 1ie5 s VAL 104 Ca 0.04 0.74 0.04 0.00 0.00 0.00 0.00 61.98 62.80 1ie5 s VAL 104 Cb -0.25 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1ie5 s VAL 104 CO 0.03 0.55 -0.11 0.72 0.00 0.00 0.00 175.10 176.29 1ie5 s PHE 105 N -1.11 1.04 -0.78 5.22 -0.12 -0.63 -4.92 117.98 116.69 1ie5 s PHE 105 Ca 0.24 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 1ie5 s PHE 105 Cb -0.16 -0.58 0.36 0.00 -0.63 0.00 0.00 43.02 42.01 1ie5 s PHE 105 CO 0.13 0.00 1.68 0.00 -0.05 0.00 0.00 175.22 176.98 1ie5 n ALA 106 N 0.89 5.93 -0.40 1.99 0.00 -1.26 -0.46 120.51 127.20 1ie5 n ALA 106 Ca -0.18 -4.34 0.00 0.00 0.00 0.00 0.00 53.44 48.92 1ie5 n ALA 106 Cb 0.56 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13