#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 1.54 0.35 1.61 -2.85 -1.26 -4.60 119.74 114.52 1ie5 s LYS 2 Ca 0.00 -0.87 0.25 0.00 -1.00 0.00 0.00 55.97 54.35 1ie5 s LYS 2 Cb 0.00 0.51 0.62 0.00 -2.06 0.00 0.00 37.83 36.90 1ie5 s LYS 2 CO 0.00 -0.71 1.70 0.22 0.10 0.00 0.00 175.35 176.67 1ie5 h ASP 3 N 2.00 0.00 1.10 0.03 3.58 -1.84 -3.24 116.42 118.04 1ie5 h ASP 3 Ca -0.23 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.04 1ie5 h ASP 3 Cb 1.24 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 1ie5 h ASP 3 CO 0.26 0.00 -0.91 0.40 -2.88 0.00 0.00 179.24 176.11 1ie5 h ILE 4 N 0.00 1.48 0.00 2.25 1.08 -1.95 -3.38 117.51 116.99 1ie5 h ILE 4 Ca 0.00 -3.11 0.00 0.00 -0.39 0.00 0.00 64.86 61.36 1ie5 h ILE 4 Cb 0.84 2.73 0.00 0.00 -3.07 0.00 0.00 36.82 37.31 1ie5 h ILE 4 CO 0.00 0.84 -0.17 0.00 -0.69 0.00 0.00 178.15 178.13 1ie5 n GLN 5 N -3.31 0.63 -3.32 2.37 6.02 -1.26 -4.98 117.38 113.54 1ie5 n GLN 5 Ca -0.00 -1.12 -0.10 0.00 -0.01 0.00 0.00 57.00 55.77 1ie5 n GLN 5 Cb 0.89 -0.72 -0.06 0.00 1.02 0.00 0.00 30.24 31.37 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ie5 s VAL 6 N -0.56 -0.61 -1.34 5.09 1.01 -1.22 -5.03 120.40 117.73 1ie5 s VAL 6 Ca 0.05 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1ie5 s VAL 6 Cb 0.04 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.54 1ie5 s VAL 6 CO 0.00 -0.28 1.88 -0.38 0.00 0.00 0.00 175.10 176.33 1ie5 n ILE 7 N 5.35 3.87 0.00 2.22 2.08 -1.26 -3.21 119.36 128.41 1ie5 n ILE 7 Ca -0.00 -3.86 0.00 0.00 0.56 0.00 0.00 62.75 59.45 1ie5 n ILE 7 Cb 0.49 -2.45 0.00 0.00 -0.75 0.00 0.00 39.64 36.93 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 5.34 0.00 -1.77 1.39 0.31 -1.26 -5.15 118.33 117.19 1ie5 n VAL 8 Ca 0.47 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.50 1ie5 n VAL 8 Cb 0.42 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.40 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 -1.35 5.36 -0.16 4.52 0.01 -1.20 -4.95 114.94 117.17 1ie5 s ASN 9 Ca 0.00 1.28 -0.07 0.00 -0.71 0.00 0.00 52.86 53.36 1ie5 s ASN 9 Cb 0.00 -2.12 0.07 0.00 0.41 0.00 0.00 41.25 39.61 1ie5 s ASN 9 CO 0.00 -1.42 0.35 -0.69 -1.51 0.00 0.00 177.10 173.84 1ie5 s VAL 10 N -3.24 -0.33 0.99 1.60 1.01 0.17 -4.71 120.40 115.89 1ie5 s VAL 10 Ca 0.58 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.61 1ie5 s VAL 10 Cb -0.12 -0.56 0.11 0.00 0.00 0.00 0.00 36.38 35.82 1ie5 s VAL 10 CO 0.53 0.07 0.65 -2.65 0.00 0.00 0.00 175.10 173.71 1ie5 n PRO 11 N 4.90 -0.82 -1.76 2.72 -0.02 -1.26 -1.58 135.00 137.18 1ie5 n PRO 11 Ca -0.15 -0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 60.80 1ie5 n PRO 11 Cb 0.52 -2.03 0.06 0.00 -0.02 0.00 0.00 33.50 32.02 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 2.65 -0.33 0.52 0.02 -1.26 -4.52 135.00 128.08 1ie5 s PRO 12 Ca 0.61 1.68 0.17 0.00 0.02 0.00 0.00 61.00 63.49 1ie5 s PRO 12 Cb -0.21 -1.90 0.45 0.00 0.02 0.00 0.00 34.50 32.86 1ie5 s PRO 12 CO 0.64 -1.42 0.95 0.45 -0.33 0.00 0.00 177.00 177.29 1ie5 n SER 13 N -2.18 1.30 -4.69 2.53 2.88 0.10 -4.59 113.62 108.96 1ie5 n SER 13 Ca 0.13 -2.72 -0.42 0.00 -1.33 0.00 0.00 58.87 54.53 1ie5 n SER 13 Cb 0.50 -0.48 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 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 -2.97 4.14 0.38 2.46 0.11 -1.26 -3.98 120.40 119.27 1ie5 s VAL 14 Ca 0.27 1.50 0.04 0.00 -2.93 0.00 0.00 61.98 60.86 1ie5 s VAL 14 Cb 0.45 -3.96 -0.05 0.00 -1.53 0.00 0.00 36.38 31.29 1ie5 s VAL 14 CO 0.03 0.03 0.07 -0.13 -3.33 0.00 0.00 175.10 171.77 1ie5 s ARG 15 N 1.92 1.83 -0.20 1.54 0.52 -1.17 -4.24 118.95 119.15 1ie5 s ARG 15 Ca 0.58 -2.07 -0.18 0.00 -0.52 0.00 0.00 55.73 53.53 1ie5 s ARG 15 Cb -0.27 -0.96 -0.03 0.00 0.52 0.00 0.00 34.95 34.21 1ie5 s ARG 15 CO 0.24 -0.27 0.52 0.00 0.02 0.00 0.00 175.30 175.81 1ie5 s ALA 16 N -3.16 3.54 0.26 2.13 0.00 -1.26 -1.39 121.76 121.88 1ie5 s ALA 16 Ca 0.29 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 51.93 1ie5 s ALA 16 Cb 0.06 -2.82 0.32 0.00 0.00 0.00 0.00 23.12 20.69 1ie5 s ALA 16 CO 0.14 -0.45 1.60 -0.09 0.00 0.00 0.00 175.76 176.95 1ie5 h ARG 17 N 7.47 0.08 -2.89 0.00 2.43 -1.80 -3.44 114.38 116.23 1ie5 h ARG 17 Ca -0.33 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 58.64 1ie5 h ARG 17 Cb 1.15 0.01 -0.25 0.00 -0.42 0.00 0.00 29.97 30.46 1ie5 h ARG 17 CO 0.74 0.67 -0.33 -0.65 -1.51 0.00 0.00 179.97 178.89 1ie5 s GLN 18 N -3.67 0.39 0.33 0.20 -0.21 -1.26 -5.06 119.66 110.38 1ie5 s GLN 18 Ca -0.02 0.51 0.17 0.00 0.02 0.00 0.00 55.36 56.04 1ie5 s GLN 18 Cb 0.12 0.15 0.15 0.00 1.00 0.00 0.00 33.01 34.44 1ie5 s GLN 18 CO 0.77 -0.07 1.50 0.77 -2.12 0.00 0.00 175.29 176.14 1ie5 h SER 19 N 5.87 0.00 -3.61 5.90 0.02 -1.86 -3.45 113.55 116.43 1ie5 h SER 19 Ca -0.28 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.49 1ie5 h SER 19 Cb 1.18 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.45 1ie5 h SER 19 CO 0.30 0.35 -0.43 -0.89 -1.14 0.00 0.00 176.83 175.02 1ie5 s THR 20 N -3.04 -0.02 0.40 -2.27 2.01 -1.26 -1.74 115.64 109.72 1ie5 s THR 20 Ca 0.05 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.16 1ie5 s THR 20 Cb 0.07 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1ie5 s THR 20 CO 0.72 0.03 0.18 -0.04 -0.69 0.00 0.00 174.62 174.81 1ie5 s MET 21 N 0.65 1.92 0.29 4.92 1.00 0.20 -4.95 119.30 123.33 1ie5 s MET 21 Ca -0.04 -2.17 -0.21 0.00 0.00 0.00 0.00 55.69 53.27 1ie5 s MET 21 Cb -0.05 -0.35 0.02 0.00 0.00 0.00 0.00 34.83 34.44 1ie5 s MET 21 CO -0.04 -0.55 0.73 0.54 0.00 0.00 0.00 175.02 175.70 1ie5 s ASN 22 N -3.56 -0.24 -0.02 3.03 4.22 -1.26 -0.68 114.94 116.43 1ie5 s ASN 22 Ca 0.27 -0.66 -0.29 0.00 -2.14 0.00 0.00 52.86 50.04 1ie5 s ASN 22 Cb 0.02 0.74 0.09 0.00 1.28 0.00 0.00 41.25 43.38 1ie5 s ASN 22 CO 0.18 -1.38 0.76 0.00 -2.04 0.00 0.00 177.10 174.62 1ie5 s ALA 23 N -3.77 -1.77 -0.42 3.54 0.00 -1.25 -4.93 121.76 113.14 1ie5 s ALA 23 Ca 0.11 1.14 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 1ie5 s ALA 23 Cb -0.06 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1ie5 s ALA 23 CO 0.07 -0.50 0.42 0.99 0.00 0.00 0.00 175.76 176.74 1ie5 s THR 24 N -2.06 5.12 0.94 0.00 2.01 -1.26 -1.45 115.64 118.93 1ie5 s THR 24 Ca -0.04 -0.44 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 1ie5 s THR 24 Cb -0.00 -4.03 0.16 0.00 0.01 0.00 0.00 72.50 68.63 1ie5 s THR 24 CO -0.00 -0.43 1.18 0.00 -0.69 0.00 0.00 174.62 174.68 1ie5 s ALA 25 N 2.05 1.85 0.00 7.40 0.00 0.09 -4.20 121.76 128.95 1ie5 s ALA 25 Ca 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1ie5 s ALA 25 Cb -0.18 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1ie5 s ALA 25 CO 0.13 -2.38 0.00 0.09 0.00 0.00 0.00 175.76 173.59 1ie5 n ASN 26 N -3.82 0.00 0.00 0.00 4.13 -1.26 -4.66 115.26 109.65 1ie5 n ASN 26 Ca 0.09 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.46 1ie5 n ASN 26 Cb 0.60 -1.04 -0.04 0.00 -1.54 0.00 0.00 39.78 37.76 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ie5 n LEU 27 N 0.00 0.84 -3.23 3.41 4.77 -1.26 -5.01 117.00 116.52 1ie5 n LEU 27 Ca 0.00 -0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 55.39 1ie5 n LEU 27 Cb 0.00 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1ie5 n LEU 27 CO 0.00 0.20 0.06 -1.20 -1.33 0.00 0.00 177.39 175.13 1ie5 n SER 28 N -1.55 -5.98 -4.71 -1.43 7.64 -1.26 -5.00 113.62 101.33 1ie5 n SER 28 Ca 0.04 -0.38 -0.29 0.00 1.01 0.00 0.00 58.87 59.25 1ie5 n SER 28 Cb 0.35 -4.80 0.11 0.00 -1.01 0.00 0.00 64.21 58.86 1ie5 n SER 28 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ie5 s GLN 29 N -5.93 1.61 0.12 1.43 -0.21 -1.26 -4.20 119.66 111.23 1ie5 s GLN 29 Ca 0.40 -0.01 0.06 0.00 0.02 0.00 0.00 55.36 55.83 1ie5 s GLN 29 Cb -0.18 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 1ie5 s GLN 29 CO 0.49 -1.82 -0.01 -1.54 -2.12 0.00 0.00 175.29 170.29 1ie5 s SER 30 N -4.64 4.86 -0.08 5.90 1.04 -1.26 -0.70 113.70 118.82 1ie5 s SER 30 Ca 0.65 -0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.75 1ie5 s SER 30 Cb -0.09 -1.09 0.03 0.00 0.10 0.00 0.00 66.02 64.97 1ie5 s SER 30 CO 0.50 0.14 0.19 -0.69 0.98 0.00 0.00 173.24 174.36 1ie5 s VAL 31 N -1.45 -0.02 -0.08 5.02 1.01 0.15 -5.00 120.40 120.01 1ie5 s VAL 31 Ca 0.26 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 1ie5 s VAL 31 Cb -0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1ie5 s VAL 31 CO 0.18 0.04 0.10 -0.89 0.00 0.00 0.00 175.10 174.52 1ie5 s THR 32 N 0.71 5.06 0.17 3.92 2.01 -1.26 -0.48 115.64 125.76 1ie5 s THR 32 Ca -0.05 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.73 1ie5 s THR 32 Cb -0.07 -3.22 0.04 0.00 0.01 0.00 0.00 72.50 69.27 1ie5 s THR 32 CO -0.04 0.55 0.50 -1.48 -0.69 0.00 0.00 174.62 173.46 1ie5 s LEU 33 N -1.17 0.06 -0.15 4.42 0.05 -0.57 -4.99 118.68 116.32 1ie5 s LEU 33 Ca 0.17 -0.35 -0.29 0.00 0.05 0.00 0.00 54.13 53.71 1ie5 s LEU 33 Cb -0.12 2.13 0.10 0.00 -2.05 0.00 0.00 46.19 46.25 1ie5 s LEU 33 CO 0.06 -0.98 0.85 0.00 -0.55 0.00 0.00 176.35 175.73 1ie5 s ALA 34 N -3.83 -1.86 -0.40 1.48 0.00 -1.26 -0.67 121.76 115.22 1ie5 s ALA 34 Ca 0.06 1.59 -0.04 0.00 0.00 0.00 0.00 51.96 53.58 1ie5 s ALA 34 Cb -0.00 -0.62 0.10 0.00 0.00 0.00 0.00 23.12 22.60 1ie5 s ALA 34 CO -0.07 -0.32 0.20 0.00 0.00 0.00 0.00 175.76 175.56 1ie5 n ASP 36 N 4.63 3.61 -4.80 0.00 5.75 -0.49 -4.34 116.55 120.93 1ie5 n ASP 36 Ca -0.04 -2.77 -0.34 0.00 -0.01 0.00 0.00 54.79 51.63 1ie5 n ASP 36 Cb 0.42 -1.67 -0.03 0.00 -1.03 0.00 0.00 41.12 38.80 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 8.00 2.88 0.12 2.12 0.00 -1.26 -3.03 121.76 130.60 1ie5 s ALA 37 Ca 0.62 0.63 -0.25 0.00 0.00 0.00 0.00 51.96 52.96 1ie5 s ALA 37 Cb 0.03 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.96 1ie5 s ALA 37 CO 0.11 -0.33 0.81 0.34 0.00 0.00 0.00 175.76 176.69 1ie5 s ASP 38 N -1.93 -0.35 0.00 0.00 2.15 -1.26 -4.87 116.67 110.42 1ie5 s ASP 38 Ca 0.67 -0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.44 1ie5 s ASP 38 Cb -0.17 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 42.97 1ie5 s ASP 38 CO 0.21 -0.90 0.00 0.61 -0.17 0.00 0.00 175.17 174.92 1ie5 n GLY 39 N -0.37 -0.48 2.95 2.66 0.00 -1.26 -0.72 105.19 107.96 1ie5 n GLY 39 Ca -0.09 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.47 0.89 1.61 2.19 -0.61 -3.68 117.98 115.91 1ie5 s PHE 40 Ca 0.00 0.82 -0.10 0.00 0.33 0.00 0.00 56.93 57.97 1ie5 s PHE 40 Cb 0.00 -0.08 0.13 0.00 -1.31 0.00 0.00 43.02 41.76 1ie5 s PHE 40 CO 0.00 -0.47 1.15 -1.25 1.83 0.00 0.00 175.22 176.48 1ie5 s PRO 41 N 2.43 1.18 0.06 10.12 0.04 -1.26 -0.66 135.00 146.91 1ie5 s PRO 41 Ca 0.04 1.56 -0.32 0.00 0.04 0.00 0.00 61.00 62.31 1ie5 s PRO 41 Cb -0.13 -1.74 -0.17 0.00 0.04 0.00 0.00 34.50 32.49 1ie5 s PRO 41 CO -0.11 -2.52 0.79 -0.85 0.04 0.00 0.00 177.00 174.36 1ie5 n GLU 42 N -4.06 0.00 -2.03 4.56 0.28 -1.24 -4.87 120.64 113.27 1ie5 n GLU 42 Ca 0.12 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.80 1ie5 n GLU 42 Cb 0.52 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 32.20 1ie5 n GLU 42 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1ie5 s PRO 43 N -0.29 3.51 -0.49 3.44 0.04 -1.26 -4.96 135.00 134.98 1ie5 s PRO 43 Ca 0.73 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.57 1ie5 s PRO 43 Cb -1.03 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 31.50 1ie5 s PRO 43 CO 0.51 -0.64 0.57 0.99 0.04 0.00 0.00 177.00 178.46 1ie5 s THR 44 N -2.78 4.96 0.05 1.26 2.01 0.54 -4.93 115.64 116.75 1ie5 s THR 44 Ca 0.59 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1ie5 s THR 44 Cb -0.13 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1ie5 s THR 44 CO 0.42 -0.73 -0.17 0.00 -0.69 0.00 0.00 174.62 173.45 1ie5 s MET 45 N 2.41 1.04 0.22 4.92 0.23 -1.26 -1.11 119.30 125.75 1ie5 s MET 45 Ca 0.13 -0.89 -0.10 0.00 -1.03 0.00 0.00 55.69 53.80 1ie5 s MET 45 Cb -0.20 -1.12 -0.01 0.00 -1.53 0.00 0.00 34.83 31.97 1ie5 s MET 45 CO 0.11 0.27 0.37 0.95 -2.03 0.00 0.00 175.02 174.69 1ie5 s THR 46 N -0.95 0.01 0.13 3.16 -4.23 -0.67 -4.83 115.64 108.27 1ie5 s THR 46 Ca 0.03 -1.51 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 1ie5 s THR 46 Cb -0.09 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.61 1ie5 s THR 46 CO 0.02 -0.06 0.43 -1.66 -0.54 0.00 0.00 174.62 172.81 1ie5 s TRP 47 N -4.03 -0.25 0.02 3.99 1.48 -1.26 -1.07 118.94 117.81 1ie5 s TRP 47 Ca 0.25 -0.05 0.08 0.00 -1.06 0.00 0.00 56.10 55.31 1ie5 s TRP 47 Cb 0.02 0.30 -0.03 0.00 -1.16 0.00 0.00 33.47 32.60 1ie5 s TRP 47 CO 0.08 -0.72 -0.23 0.95 -4.06 0.00 0.00 176.95 172.97 1ie5 s THR 48 N -3.80 2.41 -1.20 0.66 -4.23 -0.63 -0.26 115.64 108.60 1ie5 s THR 48 Ca 0.03 -1.20 -0.07 0.00 -1.18 0.00 0.00 61.69 59.28 1ie5 s THR 48 Cb 0.01 -1.94 0.22 0.00 1.34 0.00 0.00 72.50 72.13 1ie5 s THR 48 CO -0.12 0.43 1.79 1.17 -0.54 0.00 0.00 174.62 177.35 1ie5 n LYS 49 N 1.92 4.12 0.00 3.99 0.00 0.34 -3.63 118.16 124.90 1ie5 n LYS 49 Ca -0.17 -3.94 0.00 0.00 0.00 0.00 0.00 58.31 54.21 1ie5 n LYS 49 Cb 0.52 -2.73 0.00 0.00 0.00 0.00 0.00 35.03 32.82 1ie5 n LYS 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ie5 n ASP 50 N 2.55 0.00 0.00 3.14 2.03 -1.00 -3.80 116.55 119.47 1ie5 n ASP 50 Ca 0.38 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.69 1ie5 n ASP 50 Cb 0.33 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.65 0.00 3.91 0.27 0.00 -1.26 -4.97 105.19 101.49 1ie5 n GLY 51 Ca 0.00 0.00 -0.30 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 -0.07 3.59 0.41 1.61 -1.05 -1.25 -4.96 118.70 116.98 1ie5 s GLU 52 Ca 0.00 -0.15 -0.24 0.00 -0.15 0.00 0.00 54.97 54.42 1ie5 s GLU 52 Cb 0.00 -2.83 -0.08 0.00 -0.44 0.00 0.00 34.13 30.77 1ie5 s GLU 52 CO 0.00 0.43 1.11 -2.14 0.95 0.00 0.00 175.26 175.62 1ie5 s PRO 53 N -2.89 4.07 -0.65 -4.83 0.02 -1.26 -0.50 135.00 128.95 1ie5 s PRO 53 Ca 0.40 1.68 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 1ie5 s PRO 53 Cb -0.12 -2.59 0.43 0.00 0.02 0.00 0.00 34.50 32.24 1ie5 s PRO 53 CO 0.26 -0.27 1.90 -0.89 -0.33 0.00 0.00 177.00 177.67 1ie5 n ILE 54 N -0.05 3.45 -1.68 2.83 5.41 0.65 -4.81 119.36 125.16 1ie5 n ILE 54 Ca 0.05 -3.46 -0.46 0.00 1.00 0.00 0.00 62.75 59.88 1ie5 n ILE 54 Cb 0.48 -1.18 -0.04 0.00 -0.71 0.00 0.00 39.64 38.19 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 -0.80 2.29 0.32 0.38 0.28 -1.26 -4.57 120.64 117.28 1ie5 n GLU 55 Ca 0.58 0.83 0.19 0.00 -0.16 0.00 0.00 57.16 58.60 1ie5 n GLU 55 Cb 0.61 -2.65 1.00 0.00 1.43 0.00 0.00 31.44 31.83 1ie5 n GLU 55 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1ie5 h GLN 56 N 7.33 0.00 -0.01 3.44 4.20 -1.89 0.07 115.11 128.26 1ie5 h GLN 56 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1ie5 h GLN 56 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1ie5 h GLN 56 CO 0.92 0.00 -0.49 0.39 -0.67 0.00 0.00 178.83 178.97 1ie5 n GLU 57 N -3.12 0.86 0.00 1.46 1.02 -1.26 -4.71 120.64 114.89 1ie5 n GLU 57 Ca -0.02 -0.66 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 1ie5 n GLU 57 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.49 0.00 -4.21 1.62 2.03 -1.08 -5.02 116.55 109.41 1ie5 n ASP 58 Ca 0.09 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.97 1ie5 n ASP 58 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1ie5 n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ie5 n ASN 59 N -0.00 4.54 0.00 1.67 5.15 -0.01 -4.54 115.26 122.06 1ie5 n ASN 59 Ca 0.00 -2.90 0.00 0.00 -0.60 0.00 0.00 54.58 51.08 1ie5 n ASN 59 Cb 0.00 -1.70 0.00 0.00 -0.53 0.00 0.00 39.78 37.55 1ie5 n ASN 59 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ie5 n GLU 60 N 7.18 0.78 0.19 1.20 1.02 -1.26 -4.74 120.64 125.01 1ie5 n GLU 60 Ca 0.49 -0.81 0.05 0.00 -0.02 0.00 0.00 57.16 56.87 1ie5 n GLU 60 Cb 0.43 -0.86 0.50 0.00 -0.02 0.00 0.00 31.44 31.48 1ie5 n GLU 60 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ie5 h GLU 61 N 0.00 0.09 -0.11 3.49 4.39 -2.01 -3.31 114.58 117.12 1ie5 h GLU 61 Ca 0.00 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.46 1ie5 h GLU 61 Cb 0.40 -0.01 -0.18 0.00 -0.10 0.00 0.00 28.75 28.85 1ie5 h GLU 61 CO 0.00 0.20 -0.44 0.36 -1.16 0.00 0.00 179.01 177.97 1ie5 n LYS 62 N -4.37 1.22 -3.65 2.33 2.85 -1.26 -5.10 118.16 110.18 1ie5 n LYS 62 Ca -0.02 -1.94 -0.15 0.00 -1.05 0.00 0.00 58.31 55.15 1ie5 n LYS 62 Cb 0.21 -0.14 -0.07 0.00 -0.65 0.00 0.00 35.03 34.37 1ie5 n LYS 62 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1ie5 s TYR 63 N -0.21 -0.43 -0.14 5.58 1.51 -1.25 -1.26 117.35 121.16 1ie5 s TYR 63 Ca 0.21 0.74 -0.17 0.00 -1.01 0.00 0.00 57.07 56.84 1ie5 s TYR 63 Cb 0.41 0.25 0.04 0.00 -0.11 0.00 0.00 41.96 42.55 1ie5 s TYR 63 CO -0.08 -0.48 0.45 -1.12 -1.11 0.00 0.00 175.55 173.21 1ie5 s SER 64 N -1.15 -0.45 0.23 2.29 0.01 -0.22 -4.65 113.70 109.75 1ie5 s SER 64 Ca -0.11 0.78 -0.08 0.00 1.31 0.00 0.00 55.95 57.85 1ie5 s SER 64 Cb -0.03 0.82 -0.02 0.00 0.21 0.00 0.00 66.02 67.00 1ie5 s SER 64 CO 0.07 -0.24 0.32 0.72 0.41 0.00 0.00 173.24 174.52 1ie5 s PHE 65 N -0.11 0.72 0.50 2.43 -0.12 -1.26 -0.54 117.98 119.60 1ie5 s PHE 65 Ca -0.03 -1.01 -0.05 0.00 -0.05 0.00 0.00 56.93 55.78 1ie5 s PHE 65 Cb -0.03 -0.14 0.11 0.00 -0.63 0.00 0.00 43.02 42.32 1ie5 s PHE 65 CO 0.02 -0.84 0.68 0.27 -0.05 0.00 0.00 175.22 175.31 1ie5 n ASN 66 N -0.33 0.39 0.07 1.98 0.23 -1.12 -4.97 115.26 111.50 1ie5 n ASN 66 Ca -0.00 -1.45 0.13 0.00 -0.53 0.00 0.00 54.58 52.73 1ie5 n ASN 66 Cb 0.64 -0.49 0.47 0.00 -2.08 0.00 0.00 39.78 38.31 1ie5 n ASN 66 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1ie5 n TYR 67 N -2.69 0.63 0.85 -2.53 4.01 -1.26 -2.66 117.16 113.50 1ie5 n TYR 67 Ca 0.10 0.19 0.12 0.00 -0.16 0.00 0.00 57.90 58.14 1ie5 n TYR 67 Cb 0.34 -0.81 0.19 0.00 -0.31 0.00 0.00 39.34 38.75 1ie5 n TYR 67 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ie5 n ASP 68 N -2.02 0.57 0.00 7.72 8.00 -1.26 -4.97 116.55 124.60 1ie5 n ASP 68 Ca 0.06 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1ie5 n ASP 68 Cb 0.38 0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1ie5 n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ie5 n GLY 69 N 1.45 0.73 0.08 0.44 0.00 -1.09 -4.76 105.19 102.05 1ie5 n GLY 69 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1ie5 n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ie5 h SER 70 N 0.00 0.00 -2.47 1.61 4.64 -1.82 -3.45 113.55 112.07 1ie5 h SER 70 Ca 0.00 -0.23 -0.54 0.00 -0.47 0.00 0.00 61.79 60.55 1ie5 h SER 70 Cb 0.03 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.05 1ie5 h SER 70 CO 0.00 1.06 1.08 -1.61 -0.87 0.00 0.00 176.83 176.49 1ie5 s GLU 71 N -2.27 3.19 -0.36 4.77 2.02 -1.26 -2.86 118.70 121.92 1ie5 s GLU 71 Ca -0.20 -0.04 -0.16 0.00 0.02 0.00 0.00 54.97 54.58 1ie5 s GLU 71 Cb 0.04 -4.17 -0.00 0.00 0.10 0.00 0.00 34.13 30.09 1ie5 s GLU 71 CO 0.38 -2.13 0.42 -1.17 0.02 0.00 0.00 175.26 172.77 1ie5 s LEU 72 N 5.98 4.52 -0.18 1.80 2.96 0.16 -2.81 118.68 131.11 1ie5 s LEU 72 Ca 0.40 -0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 53.83 1ie5 s LEU 72 Cb -0.09 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1ie5 s LEU 72 CO 0.18 -0.43 0.56 -0.63 -1.32 0.00 0.00 176.35 174.70 1ie5 s ILE 73 N 2.14 5.09 -0.04 6.68 1.01 0.30 -1.52 121.20 134.85 1ie5 s ILE 73 Ca 0.13 1.05 0.02 0.00 0.00 0.00 0.00 60.65 61.86 1ie5 s ILE 73 Cb -0.16 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1ie5 s ILE 73 CO 0.13 0.18 -0.07 -0.63 0.00 0.00 0.00 174.94 174.55 1ie5 s ILE 74 N 1.52 3.64 0.29 2.92 1.01 0.37 -1.05 121.20 129.90 1ie5 s ILE 74 Ca 0.27 -0.60 0.11 0.00 0.00 0.00 0.00 60.65 60.43 1ie5 s ILE 74 Cb -0.16 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 1ie5 s ILE 74 CO 0.10 0.52 -0.18 -1.59 0.00 0.00 0.00 174.94 173.80 1ie5 s LYS 75 N -1.03 1.69 -1.26 2.79 -2.85 -0.39 -0.68 119.74 118.02 1ie5 s LYS 75 Ca 0.14 -1.79 -0.19 0.00 -1.00 0.00 0.00 55.97 53.13 1ie5 s LYS 75 Cb -0.11 -1.73 0.01 0.00 -2.06 0.00 0.00 37.83 33.94 1ie5 s LYS 75 CO 0.04 0.29 0.61 0.36 0.10 0.00 0.00 175.35 176.74 1ie5 n LYS 76 N -0.64 -1.35 -2.50 1.78 2.85 -0.74 -4.88 118.16 112.69 1ie5 n LYS 76 Ca -0.05 0.29 -0.40 0.00 -1.05 0.00 0.00 58.31 57.10 1ie5 n LYS 76 Cb 0.61 -3.68 -0.04 0.00 -0.65 0.00 0.00 35.03 31.27 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1ie5 s VAL 77 N -3.68 3.57 0.23 0.58 1.01 0.13 -4.85 120.40 117.38 1ie5 s VAL 77 Ca 0.34 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.87 1ie5 s VAL 77 Cb -0.15 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1ie5 s VAL 77 CO 0.91 0.37 0.32 -0.67 0.00 0.00 0.00 175.10 176.03 1ie5 n ASP 78 N 1.30 -0.88 0.13 3.32 -0.08 -1.26 -4.10 116.55 114.98 1ie5 n ASP 78 Ca -0.01 -2.26 0.10 0.00 -1.51 0.00 0.00 54.79 51.11 1ie5 n ASP 78 Cb 0.45 1.66 0.49 0.00 2.34 0.00 0.00 41.12 46.06 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 -0.38 0.13 0.09 -0.67 4.76 -1.26 -1.05 118.16 119.78 1ie5 n LYS 79 Ca 0.01 0.57 0.12 0.00 -2.87 0.00 0.00 58.31 56.13 1ie5 n LYS 79 Cb 0.39 -1.88 0.45 0.00 -1.84 0.00 0.00 35.03 32.15 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 -2.15 0.57 0.03 4.39 3.41 -1.26 -3.63 113.62 114.97 1ie5 n SER 80 Ca -0.00 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 1ie5 n SER 80 Cb 0.08 -0.73 0.38 0.00 -0.26 0.00 0.00 64.21 63.68 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 0.42 -4.67 4.04 8.00 -0.22 -4.91 116.55 117.12 1ie5 n ASP 81 Ca 0.04 0.19 -0.56 0.00 0.71 0.00 0.00 54.79 55.18 1ie5 n ASP 81 Cb 0.30 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.73 1.16 -3.73 -1.24 2.13 -1.24 -4.96 120.64 111.03 1ie5 n GLU 82 Ca 0.06 0.42 -0.13 0.00 0.66 0.00 0.00 57.16 58.17 1ie5 n GLU 82 Cb 0.37 -2.09 -0.08 0.00 0.27 0.00 0.00 31.44 29.91 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 2.53 -0.80 -0.44 4.31 0.00 -1.17 -4.94 121.76 121.24 1ie5 s ALA 83 Ca 0.94 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 1ie5 s ALA 83 Cb -1.03 0.23 0.12 0.00 0.00 0.00 0.00 23.12 22.44 1ie5 s ALA 83 CO 0.59 -0.37 0.23 -2.00 0.00 0.00 0.00 175.76 174.21 1ie5 s GLU 84 N -2.10 2.04 -0.40 0.00 2.12 -1.26 -1.26 118.70 117.84 1ie5 s GLU 84 Ca -0.08 -1.98 -0.26 0.00 0.36 0.00 0.00 54.97 53.02 1ie5 s GLU 84 Cb -0.02 -3.56 0.02 0.00 0.26 0.00 0.00 34.13 30.83 1ie5 s GLU 84 CO -0.00 -1.08 0.92 0.71 -0.54 0.00 0.00 175.26 175.27 1ie5 s TYR 85 N 0.86 3.03 -0.23 5.30 2.02 0.45 -2.39 117.35 126.40 1ie5 s TYR 85 Ca 0.10 0.64 -0.07 0.00 -0.37 0.00 0.00 57.07 57.37 1ie5 s TYR 85 Cb -0.22 -3.74 -0.03 0.00 -0.40 0.00 0.00 41.96 37.57 1ie5 s TYR 85 CO -0.04 -0.91 0.07 0.42 -1.57 0.00 0.00 175.55 173.52 1ie5 s ILE 86 N 3.54 4.48 -0.09 2.71 1.09 -1.24 -1.02 121.20 130.68 1ie5 s ILE 86 Ca 0.37 -0.12 0.04 0.00 -1.10 0.00 0.00 60.65 59.84 1ie5 s ILE 86 Cb -0.11 -3.07 0.00 0.00 -1.06 0.00 0.00 42.46 38.22 1ie5 s ILE 86 CO 0.21 0.38 -0.21 0.00 -0.10 0.00 0.00 174.94 175.22 1ie5 s ILE 88 N 0.40 1.31 0.05 0.00 1.09 -0.24 -0.81 121.20 123.01 1ie5 s ILE 88 Ca -0.17 -0.80 0.03 0.00 -1.10 0.00 0.00 60.65 58.62 1ie5 s ILE 88 Cb -0.17 -1.11 -0.02 0.00 -1.06 0.00 0.00 42.46 40.09 1ie5 s ILE 88 CO 0.07 0.30 -0.10 0.00 -0.10 0.00 0.00 174.94 175.11 1ie5 s ALA 89 N -0.49 0.82 -0.07 9.38 0.00 -0.01 -1.66 121.76 129.72 1ie5 s ALA 89 Ca 0.06 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 1ie5 s ALA 89 Cb -0.07 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.05 1ie5 s ALA 89 CO -0.00 0.07 0.30 -2.00 0.00 0.00 0.00 175.76 174.13 1ie5 s GLU 90 N -1.52 0.47 0.00 0.00 2.12 -0.27 -0.77 118.70 118.73 1ie5 s GLU 90 Ca -0.06 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.43 1ie5 s GLU 90 Cb -0.09 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.51 1ie5 s GLU 90 CO 0.01 -0.10 0.00 0.27 -0.54 0.00 0.00 175.26 174.91 1ie5 n ASN 91 N 2.25 0.00 0.21 -1.70 6.94 -0.55 -0.34 115.26 122.08 1ie5 n ASN 91 Ca -0.17 -0.51 0.09 0.00 -0.02 0.00 0.00 54.58 53.98 1ie5 n ASN 91 Cb 0.57 0.00 0.38 0.00 -2.36 0.00 0.00 39.78 38.37 1ie5 n ASN 91 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1ie5 h LYS 92 N 0.00 0.00 0.00 -3.83 1.79 -1.89 -3.24 116.57 109.40 1ie5 h LYS 92 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ie5 h LYS 92 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1ie5 h LYS 92 CO 0.00 0.24 -1.54 0.00 -1.08 0.00 0.00 179.45 177.07 1ie5 n ALA 93 N -2.21 3.39 0.00 3.86 0.00 -1.26 -4.65 120.51 119.64 1ie5 n ALA 93 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1ie5 n ALA 93 Cb 0.48 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 1.33 -0.67 3.46 0.00 0.00 -1.22 -4.57 105.19 103.51 1ie5 n GLY 94 Ca -0.01 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 0.97 0.20 1.61 2.12 -1.26 -1.48 118.70 120.36 1ie5 s GLU 95 Ca 0.00 0.16 -0.20 0.00 0.36 0.00 0.00 54.97 55.29 1ie5 s GLU 95 Cb 0.00 0.45 0.04 0.00 0.26 0.00 0.00 34.13 34.88 1ie5 s GLU 95 CO 0.00 -0.30 0.58 -1.14 -0.54 0.00 0.00 175.26 173.87 1ie5 s GLN 96 N -1.22 1.43 0.12 4.30 2.00 0.05 -4.79 119.66 121.54 1ie5 s GLN 96 Ca -0.12 -0.77 -0.24 0.00 -2.00 0.00 0.00 55.36 52.23 1ie5 s GLN 96 Cb -0.01 0.56 0.07 0.00 0.80 0.00 0.00 33.01 34.43 1ie5 s GLN 96 CO 0.09 -0.62 0.61 0.16 -0.50 0.00 0.00 175.29 175.03 1ie5 s ASP 97 N -2.84 -0.58 0.34 6.67 -4.77 -1.26 -0.83 116.67 113.40 1ie5 s ASP 97 Ca 0.07 0.13 -0.04 0.00 -3.30 0.00 0.00 52.55 49.41 1ie5 s ASP 97 Cb -0.02 0.59 0.01 0.00 -1.09 0.00 0.00 42.92 42.40 1ie5 s ASP 97 CO -0.04 -0.90 0.50 0.00 0.70 0.00 0.00 175.17 175.43 1ie5 s ALA 98 N -3.27 0.57 -0.05 2.11 0.00 0.01 -4.81 121.76 116.33 1ie5 s ALA 98 Ca -0.01 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 1ie5 s ALA 98 Cb -0.01 1.10 0.01 0.00 0.00 0.00 0.00 23.12 24.23 1ie5 s ALA 98 CO -0.09 -0.81 0.16 0.99 0.00 0.00 0.00 175.76 176.02 1ie5 s THR 99 N -3.04 0.01 -0.02 0.00 2.01 -1.26 -1.10 115.64 112.25 1ie5 s THR 99 Ca 0.29 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 1ie5 s THR 99 Cb -0.01 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.24 1ie5 s THR 99 CO 0.19 -0.05 0.11 -0.63 -0.69 0.00 0.00 174.62 173.55 1ie5 s ILE 100 N -0.11 0.05 0.01 1.82 1.01 -0.19 -4.76 121.20 119.03 1ie5 s ILE 100 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1ie5 s ILE 100 Cb -0.02 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1ie5 s ILE 100 CO 0.00 -0.23 0.08 -1.00 0.00 0.00 0.00 174.94 173.79 1ie5 s HIS 101 N -0.77 3.27 -0.37 3.97 3.76 -0.71 -0.41 115.29 124.02 1ie5 s HIS 101 Ca -0.09 0.18 0.02 0.00 -0.15 0.00 0.00 55.06 55.03 1ie5 s HIS 101 Cb -0.05 -1.72 0.11 0.00 1.11 0.00 0.00 32.58 32.03 1ie5 s HIS 101 CO 0.01 0.54 0.13 -1.17 -0.85 0.00 0.00 174.74 173.39 1ie5 s LEU 102 N -1.85 3.64 -1.17 0.89 2.96 -0.39 -0.63 118.68 122.13 1ie5 s LEU 102 Ca 0.24 -2.22 -0.10 0.00 -0.22 0.00 0.00 54.13 51.83 1ie5 s LEU 102 Cb -0.12 -1.32 0.23 0.00 0.50 0.00 0.00 46.19 45.48 1ie5 s LEU 102 CO 0.15 -0.35 1.39 0.29 -1.32 0.00 0.00 176.35 176.51 1ie5 n LYS 103 N 4.13 3.62 -2.37 1.98 5.02 0.15 -3.07 118.16 127.63 1ie5 n LYS 103 Ca 0.03 -4.13 -0.40 0.00 -2.02 0.00 0.00 58.31 51.79 1ie5 n LYS 103 Cb 0.39 -2.77 -0.04 0.00 -0.02 0.00 0.00 35.03 32.59 1ie5 n LYS 103 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ie5 s VAL 104 N -0.23 3.26 0.18 -0.18 1.01 -1.26 -3.95 120.40 119.22 1ie5 s VAL 104 Ca 0.36 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.63 1ie5 s VAL 104 Cb -0.03 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1ie5 s VAL 104 CO -0.01 0.28 -0.05 0.72 0.00 0.00 0.00 175.10 176.04 1ie5 s PHE 105 N -1.18 1.37 -0.41 5.22 -0.12 -0.53 -4.93 117.98 117.40 1ie5 s PHE 105 Ca 0.47 -0.86 0.05 0.00 -0.05 0.00 0.00 56.93 56.53 1ie5 s PHE 105 Cb -0.34 -0.75 0.47 0.00 -0.63 0.00 0.00 43.02 41.77 1ie5 s PHE 105 CO 0.44 -0.01 1.54 0.00 -0.05 0.00 0.00 175.22 177.14 1ie5 n ALA 106 N -0.29 5.28 -1.68 1.99 0.00 -1.26 -0.73 120.51 123.82 1ie5 n ALA 106 Ca -0.08 -3.52 0.00 0.00 0.00 0.00 0.00 53.44 49.84 1ie5 n ALA 106 Cb 0.62 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1ie5 n ALA 106 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86