#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 3.83 0.33 1.61 2.36 -1.25 -4.89 119.74 121.73 1ie5 s LYS 2 Ca 0.00 0.31 -0.09 0.00 -2.55 0.00 0.00 55.97 53.64 1ie5 s LYS 2 Cb 0.00 -3.18 0.01 0.00 -1.05 0.00 0.00 37.83 33.62 1ie5 s LYS 2 CO 0.00 0.68 0.55 0.34 1.55 0.00 0.00 175.35 178.47 1ie5 s ASP 3 N -1.20 0.43 -0.02 1.43 -1.08 -1.26 -3.24 116.67 111.73 1ie5 s ASP 3 Ca 0.24 -1.25 0.02 0.00 -0.52 0.00 0.00 52.55 51.04 1ie5 s ASP 3 Cb -0.16 0.69 -0.02 0.00 -1.46 0.00 0.00 42.92 41.97 1ie5 s ASP 3 CO 0.13 -1.35 0.01 -0.38 0.52 0.00 0.00 175.17 174.10 1ie5 n ILE 4 N -0.51 0.13 -2.64 4.11 2.08 -1.26 -5.08 119.36 116.18 1ie5 n ILE 4 Ca -0.02 -0.08 -0.13 0.00 0.56 0.00 0.00 62.75 63.08 1ie5 n ILE 4 Cb 0.61 -0.95 0.06 0.00 -0.75 0.00 0.00 39.64 38.61 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 -2.07 0.38 -1.82 0.38 1.13 -1.26 -4.99 117.38 109.13 1ie5 n GLN 5 Ca -0.03 -1.69 -0.41 0.00 -1.94 0.00 0.00 57.00 52.93 1ie5 n GLN 5 Cb 0.56 -0.31 -0.01 0.00 0.11 0.00 0.00 30.24 30.59 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ie5 n VAL 6 N -2.09 4.18 -3.76 5.09 0.31 -1.26 -4.82 118.33 115.98 1ie5 n VAL 6 Ca 0.10 -3.46 -0.10 0.00 -0.01 0.00 0.00 64.34 60.86 1ie5 n VAL 6 Cb 0.35 -2.46 -0.07 0.00 -0.91 0.00 0.00 33.84 30.75 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 1.53 0.10 -0.20 2.52 1.01 -1.26 -5.11 121.20 119.80 1ie5 s ILE 7 Ca 0.52 -0.81 0.11 0.00 0.00 0.00 0.00 60.65 60.46 1ie5 s ILE 7 Cb 0.15 -1.10 -0.20 0.00 0.01 0.00 0.00 42.46 41.32 1ie5 s ILE 7 CO -0.06 -0.45 -0.04 0.52 0.00 0.00 0.00 174.94 174.91 1ie5 n VAL 8 N 0.22 1.27 -3.48 2.92 0.31 -1.26 -4.70 118.33 113.61 1ie5 n VAL 8 Ca -0.17 -0.67 -0.14 0.00 -0.01 0.00 0.00 64.34 63.36 1ie5 n VAL 8 Cb 0.61 -0.83 -0.04 0.00 -0.91 0.00 0.00 33.84 32.68 1ie5 n VAL 8 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ie5 s ASN 9 N -5.62 -0.56 -0.08 4.52 2.20 -1.26 -3.95 114.94 110.19 1ie5 s ASN 9 Ca -0.18 0.32 -0.03 0.00 -0.94 0.00 0.00 52.86 52.03 1ie5 s ASN 9 Cb 0.06 0.52 0.04 0.00 -2.00 0.00 0.00 41.25 39.88 1ie5 s ASN 9 CO 0.66 -0.73 0.16 -0.69 -2.94 0.00 0.00 177.10 173.57 1ie5 s VAL 10 N -2.42 -0.16 0.99 3.54 1.01 0.34 -4.99 120.40 118.71 1ie5 s VAL 10 Ca -0.03 0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 1ie5 s VAL 10 Cb -0.01 -0.28 0.12 0.00 0.00 0.00 0.00 36.38 36.21 1ie5 s VAL 10 CO -0.02 0.11 0.69 -2.65 0.00 0.00 0.00 175.10 173.23 1ie5 n PRO 11 N 4.76 -0.82 -1.31 2.72 -0.02 -1.26 -2.12 135.00 136.95 1ie5 n PRO 11 Ca -0.16 -0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 60.80 1ie5 n PRO 11 Cb 0.51 -2.06 0.10 0.00 -0.02 0.00 0.00 33.50 32.03 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 -4.06 2.01 -0.35 0.52 0.02 -1.26 -4.57 135.00 127.31 1ie5 s PRO 12 Ca 0.62 1.60 0.15 0.00 0.02 0.00 0.00 61.00 63.39 1ie5 s PRO 12 Cb -0.21 -1.83 0.45 0.00 0.02 0.00 0.00 34.50 32.93 1ie5 s PRO 12 CO 0.64 -1.90 1.00 0.43 -0.33 0.00 0.00 177.00 176.84 1ie5 n SER 13 N -3.07 2.27 -4.76 2.53 7.64 -0.01 -4.61 113.62 113.61 1ie5 n SER 13 Ca 0.12 -2.93 -0.40 0.00 1.01 0.00 0.00 58.87 56.67 1ie5 n SER 13 Cb 0.51 -0.51 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 1ie5 n SER 13 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ie5 s VAL 14 N -3.74 3.26 0.18 0.44 0.11 -1.26 -4.22 120.40 115.16 1ie5 s VAL 14 Ca 0.32 1.26 0.01 0.00 -2.93 0.00 0.00 61.98 60.64 1ie5 s VAL 14 Cb 0.44 -3.80 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 1ie5 s VAL 14 CO -0.02 0.29 0.05 -0.13 -3.33 0.00 0.00 175.10 171.96 1ie5 s ARG 15 N -1.60 1.12 -0.14 1.54 0.52 -0.11 -4.41 118.95 115.87 1ie5 s ARG 15 Ca 0.46 -1.56 -0.15 0.00 -0.52 0.00 0.00 55.73 53.97 1ie5 s ARG 15 Cb -0.34 -0.06 -0.05 0.00 0.52 0.00 0.00 34.95 35.03 1ie5 s ARG 15 CO 0.44 -0.22 0.34 0.00 0.02 0.00 0.00 175.30 175.88 1ie5 s ALA 16 N -3.84 3.58 0.02 2.13 0.00 -1.26 -0.92 121.76 121.46 1ie5 s ALA 16 Ca 0.28 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1ie5 s ALA 16 Cb 0.07 -2.44 -0.26 0.00 0.00 0.00 0.00 23.12 20.49 1ie5 s ALA 16 CO 0.06 0.12 0.90 -0.09 0.00 0.00 0.00 175.76 176.75 1ie5 h ARG 17 N 6.47 0.18 0.00 0.00 2.43 -1.37 -3.47 114.38 118.62 1ie5 h ARG 17 Ca -0.42 -0.30 -0.50 0.00 -0.81 0.00 0.00 59.98 57.94 1ie5 h ARG 17 Cb 1.17 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.78 1ie5 h ARG 17 CO 0.74 1.02 -0.27 1.04 -1.51 0.00 0.00 179.97 180.99 1ie5 n GLN 18 N -3.39 0.84 0.00 0.20 1.13 -1.17 -4.97 117.38 110.02 1ie5 n GLN 18 Ca -0.14 -2.95 0.00 0.00 -1.94 0.00 0.00 57.00 51.98 1ie5 n GLN 18 Cb 1.03 0.43 0.00 0.00 0.11 0.00 0.00 30.24 31.80 1ie5 n GLN 18 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ie5 n SER 19 N -1.73 0.84 -3.49 1.08 7.64 -1.26 -4.75 113.62 111.95 1ie5 n SER 19 Ca -0.05 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.81 1ie5 n SER 19 Cb 0.53 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.81 -0.90 0.32 0.44 2.01 -1.26 -2.03 115.64 112.42 1ie5 s THR 20 Ca 0.00 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.10 1ie5 s THR 20 Cb 0.00 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1ie5 s THR 20 CO 0.00 0.00 0.24 -0.04 -0.69 0.00 0.00 174.62 174.13 1ie5 s MET 21 N 2.80 2.68 0.03 4.92 1.00 0.16 -4.98 119.30 125.92 1ie5 s MET 21 Ca 0.04 -1.30 0.01 0.00 0.00 0.00 0.00 55.69 54.44 1ie5 s MET 21 Cb -0.13 -2.43 -0.02 0.00 0.00 0.00 0.00 34.83 32.25 1ie5 s MET 21 CO -0.18 0.16 -0.05 -0.80 0.00 0.00 0.00 175.02 174.15 1ie5 s ASN 22 N -3.93 0.53 0.07 3.03 0.01 -1.26 -1.27 114.94 112.12 1ie5 s ASN 22 Ca 0.38 -0.53 -0.26 0.00 -0.71 0.00 0.00 52.86 51.74 1ie5 s ASN 22 Cb -0.06 0.07 0.09 0.00 0.41 0.00 0.00 41.25 41.76 1ie5 s ASN 22 CO 0.25 -0.26 0.75 0.00 -1.51 0.00 0.00 177.10 176.33 1ie5 s ALA 23 N -1.48 -1.72 -0.22 0.60 0.00 -0.97 -4.97 121.76 113.00 1ie5 s ALA 23 Ca -0.13 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 1ie5 s ALA 23 Cb -0.10 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1ie5 s ALA 23 CO -0.01 -0.72 -0.01 0.99 0.00 0.00 0.00 175.76 176.02 1ie5 s THR 24 N -3.36 3.67 0.64 0.00 2.01 -1.26 -1.51 115.64 115.82 1ie5 s THR 24 Ca 0.03 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 1ie5 s THR 24 Cb -0.01 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 1ie5 s THR 24 CO -0.10 0.41 1.15 0.00 -0.69 0.00 0.00 174.62 175.38 1ie5 s ALA 25 N 1.43 2.46 0.00 7.40 0.00 0.56 -4.08 121.76 129.53 1ie5 s ALA 25 Ca 0.05 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1ie5 s ALA 25 Cb -0.14 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1ie5 s ALA 25 CO -0.01 -1.27 0.00 0.09 0.00 0.00 0.00 175.76 174.57 1ie5 n ASN 26 N -2.13 -0.74 -0.08 0.00 3.02 -0.54 -4.75 115.26 110.05 1ie5 n ASN 26 Ca 0.12 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.81 1ie5 n ASN 26 Cb 0.51 -1.24 0.73 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.31 -1.33 3.41 4.77 -1.26 -4.93 117.00 117.97 1ie5 n LEU 27 Ca 0.00 0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 1ie5 n LEU 27 Cb 0.04 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 1ie5 n LEU 27 CO 0.00 0.06 -0.16 -1.20 -1.33 0.00 0.00 177.39 174.75 1ie5 n SER 28 N -0.97 -4.83 -4.92 -1.43 7.64 -1.00 -5.02 113.62 103.09 1ie5 n SER 28 Ca 0.17 0.29 -0.26 0.00 1.01 0.00 0.00 58.87 60.08 1ie5 n SER 28 Cb 0.23 -3.77 0.05 0.00 -1.01 0.00 0.00 64.21 59.72 1ie5 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ie5 s GLN 29 N -3.66 2.52 0.15 1.43 -2.07 -1.18 -4.47 119.66 112.37 1ie5 s GLN 29 Ca 0.00 -0.13 0.09 0.00 -1.82 0.00 0.00 55.36 53.49 1ie5 s GLN 29 Cb 0.00 -2.21 -0.04 0.00 -1.09 0.00 0.00 33.01 29.67 1ie5 s GLN 29 CO 0.00 -1.01 -0.12 -1.54 -1.32 0.00 0.00 175.29 171.30 1ie5 s SER 30 N -4.42 4.19 -0.05 12.60 1.04 -1.26 -0.80 113.70 124.98 1ie5 s SER 30 Ca 0.57 -0.53 -0.04 0.00 0.48 0.00 0.00 55.95 56.43 1ie5 s SER 30 Cb -0.11 -0.70 0.02 0.00 0.10 0.00 0.00 66.02 65.34 1ie5 s SER 30 CO 0.45 0.14 0.13 -0.69 0.98 0.00 0.00 173.24 174.25 1ie5 s VAL 31 N -1.46 -0.02 -0.02 5.02 1.01 -0.16 -5.02 120.40 119.77 1ie5 s VAL 31 Ca 0.22 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1ie5 s VAL 31 Cb -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1ie5 s VAL 31 CO 0.14 0.03 -0.23 -0.89 0.00 0.00 0.00 175.10 174.14 1ie5 s THR 32 N 0.45 2.35 0.20 3.92 2.01 -1.26 -0.35 115.64 122.96 1ie5 s THR 32 Ca -0.03 -1.05 -0.14 0.00 0.31 0.00 0.00 61.69 60.78 1ie5 s THR 32 Cb -0.05 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.61 1ie5 s THR 32 CO -0.02 0.55 0.44 -1.48 -0.69 0.00 0.00 174.62 173.42 1ie5 s LEU 33 N -0.76 0.41 0.06 4.42 2.34 -0.53 -5.01 118.68 119.62 1ie5 s LEU 33 Ca 0.11 -0.74 -0.27 0.00 0.06 0.00 0.00 54.13 53.28 1ie5 s LEU 33 Cb -0.10 1.75 0.09 0.00 -0.56 0.00 0.00 46.19 47.37 1ie5 s LEU 33 CO 0.00 -1.04 0.92 0.00 -1.06 0.00 0.00 176.35 175.17 1ie5 s ALA 34 N -3.95 -1.76 0.52 1.48 0.00 -1.26 -0.91 121.76 115.88 1ie5 s ALA 34 Ca 0.16 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.80 1ie5 s ALA 34 Cb 0.00 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1ie5 s ALA 34 CO 0.02 -0.84 0.30 0.00 0.00 0.00 0.00 175.76 175.24 1ie5 s ASP 36 N -4.15 -0.44 0.21 0.00 -4.77 -0.10 -2.33 116.67 105.09 1ie5 s ASP 36 Ca 0.29 0.85 0.11 0.00 -3.30 0.00 0.00 52.55 50.50 1ie5 s ASP 36 Cb -0.01 0.77 -0.05 0.00 -1.09 0.00 0.00 42.92 42.55 1ie5 s ASP 36 CO 0.18 -0.19 -0.22 0.00 0.70 0.00 0.00 175.17 175.63 1ie5 s ALA 37 N 1.52 2.52 0.20 2.11 0.00 -1.26 -0.94 121.76 125.91 1ie5 s ALA 37 Ca -0.09 -1.68 -0.22 0.00 0.00 0.00 0.00 51.96 49.98 1ie5 s ALA 37 Cb -0.09 -0.29 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1ie5 s ALA 37 CO -0.12 0.37 0.63 0.34 0.00 0.00 0.00 175.76 176.98 1ie5 s ASP 38 N -2.86 -0.44 0.00 0.00 2.15 -1.26 -4.31 116.67 109.95 1ie5 s ASP 38 Ca 0.22 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1ie5 s ASP 38 Cb -0.07 0.64 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 1ie5 s ASP 38 CO 0.11 -1.10 0.00 0.61 -0.17 0.00 0.00 175.17 174.62 1ie5 n GLY 39 N -0.40 2.11 2.70 2.66 0.00 -1.26 -0.83 105.19 110.17 1ie5 n GLY 39 Ca -0.12 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 0.67 0.79 1.61 0.08 -0.90 -3.11 117.98 115.11 1ie5 s PHE 40 Ca 0.00 -0.54 -0.11 0.00 0.12 0.00 0.00 56.93 56.40 1ie5 s PHE 40 Cb 0.00 -0.86 0.07 0.00 -0.57 0.00 0.00 43.02 41.65 1ie5 s PHE 40 CO 0.00 -0.52 1.10 -1.25 -0.10 0.00 0.00 175.22 174.45 1ie5 s PRO 41 N 1.98 2.10 0.12 0.24 0.04 -1.20 -0.50 135.00 137.78 1ie5 s PRO 41 Ca 0.01 1.24 -0.33 0.00 0.04 0.00 0.00 61.00 61.95 1ie5 s PRO 41 Cb -0.16 -1.87 -0.18 0.00 0.04 0.00 0.00 34.50 32.33 1ie5 s PRO 41 CO -0.08 -1.77 0.85 -0.85 0.04 0.00 0.00 177.00 175.19 1ie5 n GLU 42 N -3.57 0.21 -2.26 4.56 0.28 -1.18 -4.87 120.64 113.81 1ie5 n GLU 42 Ca 0.10 0.08 -0.28 0.00 -0.16 0.00 0.00 57.16 56.89 1ie5 n GLU 42 Cb 0.53 -1.36 0.03 0.00 1.43 0.00 0.00 31.44 32.07 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 -0.52 3.07 0.10 3.44 0.04 -1.26 -4.95 135.00 134.92 1ie5 s PRO 43 Ca 0.76 0.21 0.03 0.00 0.04 0.00 0.00 61.00 62.04 1ie5 s PRO 43 Cb -1.05 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1ie5 s PRO 43 CO 0.56 -0.69 0.13 0.99 0.04 0.00 0.00 177.00 178.03 1ie5 s THR 44 N -3.06 4.73 0.05 1.26 2.01 0.49 -4.94 115.64 116.18 1ie5 s THR 44 Ca 0.54 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 61.50 1ie5 s THR 44 Cb -0.11 -3.33 0.08 0.00 0.01 0.00 0.00 72.50 69.15 1ie5 s THR 44 CO 0.48 0.05 0.71 0.00 -0.69 0.00 0.00 174.62 175.16 1ie5 s MET 45 N -2.66 1.08 0.29 4.92 0.23 -1.26 -0.40 119.30 121.50 1ie5 s MET 45 Ca 0.31 -0.20 -0.14 0.00 -1.03 0.00 0.00 55.69 54.63 1ie5 s MET 45 Cb -0.12 0.50 0.01 0.00 -1.53 0.00 0.00 34.83 33.70 1ie5 s MET 45 CO 0.24 -0.43 0.58 0.95 -2.03 0.00 0.00 175.02 174.33 1ie5 s THR 46 N -2.76 0.00 0.30 3.16 -4.23 -0.77 -4.97 115.64 106.37 1ie5 s THR 46 Ca -0.02 -1.28 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 1ie5 s THR 46 Cb -0.01 -2.30 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1ie5 s THR 46 CO -0.05 0.00 0.57 -1.66 -0.54 0.00 0.00 174.62 172.94 1ie5 s TRP 47 N -3.65 0.39 0.03 3.99 1.48 -1.26 -1.18 118.94 118.74 1ie5 s TRP 47 Ca 0.20 -0.79 0.05 0.00 -1.06 0.00 0.00 56.10 54.49 1ie5 s TRP 47 Cb -0.03 0.32 -0.02 0.00 -1.16 0.00 0.00 33.47 32.59 1ie5 s TRP 47 CO 0.10 -1.16 -0.14 0.95 -4.06 0.00 0.00 176.95 172.65 1ie5 s THR 48 N -3.50 1.08 -0.69 0.66 -4.23 -0.67 -0.20 115.64 108.08 1ie5 s THR 48 Ca 0.21 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 59.80 1ie5 s THR 48 Cb -0.02 -0.96 0.26 0.00 1.34 0.00 0.00 72.50 73.12 1ie5 s THR 48 CO 0.12 0.06 2.27 1.17 -0.54 0.00 0.00 174.62 177.69 1ie5 n LYS 49 N 2.09 2.60 -2.01 3.99 3.00 0.47 -3.87 118.16 124.44 1ie5 n LYS 49 Ca -0.17 -3.07 -0.15 0.00 -0.00 0.00 0.00 58.31 54.92 1ie5 n LYS 49 Cb 0.55 -2.21 -0.03 0.00 0.00 0.00 0.00 35.03 33.34 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 -0.09 -4.39 0.00 3.14 2.03 -1.25 -4.24 116.55 111.75 1ie5 n ASP 50 Ca 0.52 0.23 0.00 0.00 0.52 0.00 0.00 54.79 56.06 1ie5 n ASP 50 Cb 0.37 -3.82 0.00 0.00 -0.72 0.00 0.00 41.12 36.95 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 -0.63 0.00 3.28 0.27 0.00 -1.26 -4.99 105.19 101.87 1ie5 n GLY 51 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 0.87 0.24 1.61 -1.05 -1.26 -5.16 118.70 113.94 1ie5 s GLU 52 Ca 0.00 -0.45 -0.29 0.00 -0.15 0.00 0.00 54.97 54.09 1ie5 s GLU 52 Cb 0.00 0.38 -0.09 0.00 -0.44 0.00 0.00 34.13 33.98 1ie5 s GLU 52 CO 0.00 -0.29 0.91 -1.25 0.95 0.00 0.00 175.26 175.58 1ie5 s PRO 53 N -2.55 4.78 -0.68 -4.83 0.04 -1.26 -0.39 135.00 130.11 1ie5 s PRO 53 Ca -0.05 1.41 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 1ie5 s PRO 53 Cb -0.01 -3.23 0.23 0.00 0.04 0.00 0.00 34.50 31.53 1ie5 s PRO 53 CO -0.03 0.51 2.34 -0.89 0.04 0.00 0.00 177.00 178.96 1ie5 n ILE 54 N 1.41 3.48 -2.76 0.56 5.41 0.72 -4.88 119.36 123.31 1ie5 n ILE 54 Ca -0.02 -3.74 -0.41 0.00 1.00 0.00 0.00 62.75 59.58 1ie5 n ILE 54 Cb 0.48 -1.39 -0.05 0.00 -0.71 0.00 0.00 39.64 37.97 1ie5 n ILE 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ie5 s GLU 55 N -3.09 4.69 0.00 0.38 -1.05 -1.26 -4.31 118.70 114.05 1ie5 s GLU 55 Ca 0.55 1.42 0.10 0.00 -0.15 0.00 0.00 54.97 56.89 1ie5 s GLU 55 Cb 0.42 -3.37 0.54 0.00 -0.44 0.00 0.00 34.13 31.28 1ie5 s GLU 55 CO -0.33 0.25 1.20 1.04 0.95 0.00 0.00 175.26 178.36 1ie5 n GLN 56 N 2.66 0.17 0.00 -4.83 1.13 -1.26 -1.89 117.38 113.37 1ie5 n GLN 56 Ca 0.01 0.16 0.12 0.00 -1.94 0.00 0.00 57.00 55.35 1ie5 n GLN 56 Cb 0.49 -1.50 0.16 0.00 0.11 0.00 0.00 30.24 29.50 1ie5 n GLN 56 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1ie5 n GLU 57 N -1.24 1.15 0.00 -1.09 1.02 -1.26 -4.53 120.64 114.69 1ie5 n GLU 57 Ca 0.05 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1ie5 n GLU 57 Cb 0.08 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.17 0.00 -4.14 1.62 2.03 -0.90 -5.02 116.55 109.97 1ie5 n ASP 58 Ca 0.11 -0.06 -0.38 0.00 0.52 0.00 0.00 54.79 54.98 1ie5 n ASP 58 Cb 0.43 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.75 1ie5 n ASP 58 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1ie5 s ASN 59 N 0.00 5.68 0.00 1.67 0.01 -0.79 -4.76 114.94 116.74 1ie5 s ASN 59 Ca 0.00 -3.02 0.00 0.00 -0.71 0.00 0.00 52.86 49.13 1ie5 s ASN 59 Cb 0.00 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.73 1ie5 s ASN 59 CO 0.00 -0.36 0.09 1.21 -1.51 0.00 0.00 177.10 176.53 1ie5 n GLU 60 N 3.31 0.00 0.08 -0.60 2.13 -1.26 -4.49 120.64 119.81 1ie5 n GLU 60 Ca 0.12 -0.09 -0.05 0.00 0.66 0.00 0.00 57.16 57.79 1ie5 n GLU 60 Cb 0.39 -0.41 -0.06 0.00 0.27 0.00 0.00 31.44 31.64 1ie5 n GLU 60 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ie5 h GLU 61 N 0.00 0.00 -0.00 5.31 5.08 -2.03 -3.39 114.58 119.55 1ie5 h GLU 61 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1ie5 h GLU 61 Cb 0.62 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.71 1ie5 h GLU 61 CO 0.00 0.89 -0.33 0.36 -1.00 0.00 0.00 179.01 178.93 1ie5 n LYS 62 N -3.41 1.25 -3.64 2.33 2.85 -1.26 -5.07 118.16 111.22 1ie5 n LYS 62 Ca -0.00 -1.65 -0.03 0.00 -1.05 0.00 0.00 58.31 55.59 1ie5 n LYS 62 Cb 0.87 0.09 -0.02 0.00 -0.65 0.00 0.00 35.03 35.32 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 0.16 -0.04 -0.24 5.58 -0.85 -1.26 -1.28 117.35 119.41 1ie5 s TYR 63 Ca 0.18 0.03 -0.36 0.00 -0.52 0.00 0.00 57.07 56.40 1ie5 s TYR 63 Cb 0.41 0.50 0.15 0.00 0.38 0.00 0.00 41.96 43.41 1ie5 s TYR 63 CO -0.10 -0.06 1.29 -1.12 -1.52 0.00 0.00 175.55 174.05 1ie5 s SER 64 N -1.90 -0.08 0.35 -0.18 0.01 -1.06 -4.09 113.70 106.75 1ie5 s SER 64 Ca 0.11 0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.42 1ie5 s SER 64 Cb -0.01 0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.26 1ie5 s SER 64 CO -0.03 -0.12 0.10 0.72 0.41 0.00 0.00 173.24 174.32 1ie5 s PHE 65 N -2.07 1.79 0.20 2.43 -0.12 -1.26 -1.90 117.98 117.05 1ie5 s PHE 65 Ca 0.10 -1.17 0.09 0.00 -0.05 0.00 0.00 56.93 55.90 1ie5 s PHE 65 Cb -0.01 -1.14 -0.04 0.00 -0.63 0.00 0.00 43.02 41.20 1ie5 s PHE 65 CO -0.04 -0.22 -0.09 0.54 -0.05 0.00 0.00 175.22 175.36 1ie5 s ASN 66 N -3.51 4.25 0.94 1.98 4.22 -1.26 -4.96 114.94 116.62 1ie5 s ASN 66 Ca 0.31 -0.62 -0.13 0.00 -2.14 0.00 0.00 52.86 50.27 1ie5 s ASN 66 Cb 0.05 -0.71 0.21 0.00 1.28 0.00 0.00 41.25 42.09 1ie5 s ASN 66 CO 0.15 0.08 1.28 -1.22 -2.04 0.00 0.00 177.10 175.35 1ie5 n TYR 67 N -0.18 -3.76 -2.33 1.54 4.01 -1.26 -3.32 117.16 111.86 1ie5 n TYR 67 Ca -0.10 -1.33 -0.12 0.00 -0.16 0.00 0.00 57.90 56.19 1ie5 n TYR 67 Cb 0.56 -0.98 -0.01 0.00 -0.31 0.00 0.00 39.34 38.60 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 -3.66 -3.87 0.00 7.72 5.68 -1.26 -4.70 116.55 116.45 1ie5 n ASP 68 Ca 0.17 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 1ie5 n ASP 68 Cb 0.59 -3.32 0.00 0.00 -1.14 0.00 0.00 41.12 37.25 1ie5 n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ie5 n GLY 69 N -0.75 -0.53 2.59 6.12 0.00 -1.26 -4.70 105.19 106.67 1ie5 n GLY 69 Ca -0.15 -0.84 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 1ie5 n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ie5 n SER 70 N 0.00 -1.52 -4.56 1.61 2.88 -0.98 -4.50 113.62 106.54 1ie5 n SER 70 Ca 0.00 -2.16 -0.35 0.00 -1.33 0.00 0.00 58.87 55.03 1ie5 n SER 70 Cb 0.00 0.84 -0.04 0.00 -0.75 0.00 0.00 64.21 64.27 1ie5 n SER 70 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ie5 s GLU 71 N 0.14 3.16 -0.37 -1.46 2.02 -1.26 -2.88 118.70 118.05 1ie5 s GLU 71 Ca 0.14 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 53.91 1ie5 s GLU 71 Cb 0.34 -5.26 0.02 0.00 0.10 0.00 0.00 34.13 29.32 1ie5 s GLU 71 CO -0.08 -2.81 1.07 -1.17 0.02 0.00 0.00 175.26 172.29 1ie5 s LEU 72 N 7.32 3.86 -0.18 1.80 2.96 -0.09 -3.99 118.68 130.36 1ie5 s LEU 72 Ca 0.58 0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 55.23 1ie5 s LEU 72 Cb -0.02 -3.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1ie5 s LEU 72 CO -0.02 -0.97 0.14 -0.63 -1.32 0.00 0.00 176.35 173.54 1ie5 s ILE 73 N 3.84 5.43 -0.07 6.68 1.01 -0.80 -1.45 121.20 135.83 1ie5 s ILE 73 Ca 0.45 0.20 0.04 0.00 0.00 0.00 0.00 60.65 61.35 1ie5 s ILE 73 Cb -0.11 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 1ie5 s ILE 73 CO 0.20 0.47 -0.20 -0.63 0.00 0.00 0.00 174.94 174.79 1ie5 s ILE 74 N 0.09 2.52 0.20 2.92 1.01 0.52 -2.57 121.20 125.88 1ie5 s ILE 74 Ca 0.10 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.92 1ie5 s ILE 74 Cb -0.11 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1ie5 s ILE 74 CO -0.01 0.57 0.11 -1.59 0.00 0.00 0.00 174.94 174.02 1ie5 s LYS 75 N -0.18 2.75 0.00 2.79 0.00 -0.41 -0.99 119.74 123.70 1ie5 s LYS 75 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 55.97 54.94 1ie5 s LYS 75 Cb -0.14 -2.52 0.00 0.00 0.00 0.00 0.00 37.83 35.17 1ie5 s LYS 75 CO 0.03 0.45 0.00 0.36 0.00 0.00 0.00 175.35 176.19 1ie5 n LYS 76 N -0.55 0.00 -1.13 1.78 2.85 0.02 -4.81 118.16 116.32 1ie5 n LYS 76 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1ie5 n LYS 76 Cb 0.56 -0.41 0.00 0.00 -0.65 0.00 0.00 35.03 34.53 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ie5 n VAL 77 N 0.00 -3.90 -4.17 0.58 0.31 -1.25 -2.38 118.33 107.53 1ie5 n VAL 77 Ca 0.00 1.62 -0.11 0.00 -0.01 0.00 0.00 64.34 65.84 1ie5 n VAL 77 Cb 0.00 -2.47 -0.10 0.00 -0.91 0.00 0.00 33.84 30.36 1ie5 n VAL 77 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ie5 s ASP 78 N -1.75 0.22 0.46 4.52 1.01 -1.26 -1.46 116.67 118.41 1ie5 s ASP 78 Ca 0.00 -1.28 0.29 0.00 0.71 0.00 0.00 52.55 52.27 1ie5 s ASP 78 Cb 0.00 0.34 1.60 0.00 1.01 0.00 0.00 42.92 45.88 1ie5 s ASP 78 CO 0.00 -0.79 1.89 0.11 0.21 0.00 0.00 175.17 176.59 1ie5 h LYS 79 N 2.73 0.00 0.00 8.23 1.57 -1.92 -0.07 116.57 127.10 1ie5 h LYS 79 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1ie5 h LYS 79 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1ie5 h LYS 79 CO 0.55 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.30 1ie5 n SER 80 N -2.56 0.00 -0.31 0.86 3.41 -1.26 -2.49 113.62 111.26 1ie5 n SER 80 Ca -0.02 0.36 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 1ie5 n SER 80 Cb 0.09 -0.44 0.45 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.44 1.14 -4.66 4.04 8.00 -0.04 -4.85 116.55 118.74 1ie5 n ASP 81 Ca 0.06 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 1ie5 n ASP 81 Cb 0.20 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 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 -2.32 4.11 -0.01 -1.24 2.12 -1.04 -4.81 118.70 115.51 1ie5 s GLU 82 Ca 0.30 2.38 -0.29 0.00 0.36 0.00 0.00 54.97 57.71 1ie5 s GLU 82 Cb 0.20 -4.09 0.07 0.00 0.26 0.00 0.00 34.13 30.57 1ie5 s GLU 82 CO 0.45 -0.96 0.67 0.00 -0.54 0.00 0.00 175.26 174.88 1ie5 s ALA 83 N 4.45 -1.74 -0.58 6.30 0.00 -0.78 -4.88 121.76 124.54 1ie5 s ALA 83 Ca 0.82 1.14 -0.05 0.00 0.00 0.00 0.00 51.96 53.86 1ie5 s ALA 83 Cb -0.38 0.19 0.15 0.00 0.00 0.00 0.00 23.12 23.08 1ie5 s ALA 83 CO 0.36 -0.46 0.41 -2.00 0.00 0.00 0.00 175.76 174.07 1ie5 s GLU 84 N -1.76 2.56 -1.27 0.00 2.12 -1.26 -0.72 118.70 118.37 1ie5 s GLU 84 Ca -0.08 -2.23 -0.19 0.00 0.36 0.00 0.00 54.97 52.83 1ie5 s GLU 84 Cb -0.00 -3.83 0.05 0.00 0.26 0.00 0.00 34.13 30.61 1ie5 s GLU 84 CO 0.05 -1.17 1.76 0.71 -0.54 0.00 0.00 175.26 176.06 1ie5 s TYR 85 N 0.49 2.65 -0.07 5.30 2.02 -0.07 -3.84 117.35 123.83 1ie5 s TYR 85 Ca 0.13 -1.29 -0.30 0.00 -0.37 0.00 0.00 57.07 55.24 1ie5 s TYR 85 Cb -0.21 -4.65 -0.03 0.00 -0.40 0.00 0.00 41.96 36.68 1ie5 s TYR 85 CO -0.04 -1.73 1.12 0.42 -1.57 0.00 0.00 175.55 173.76 1ie5 s ILE 86 N 5.25 4.46 -0.08 2.71 1.01 -1.25 -0.97 121.20 132.33 1ie5 s ILE 86 Ca 0.56 1.76 0.04 0.00 0.00 0.00 0.00 60.65 63.01 1ie5 s ILE 86 Cb 0.03 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1ie5 s ILE 86 CO 0.08 0.01 -0.22 0.00 0.00 0.00 0.00 174.94 174.81 1ie5 s ILE 88 N 0.28 1.73 0.22 0.00 1.01 -0.32 -0.82 121.20 123.29 1ie5 s ILE 88 Ca -0.14 -0.90 0.11 0.00 0.00 0.00 0.00 60.65 59.72 1ie5 s ILE 88 Cb -0.16 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 1ie5 s ILE 88 CO 0.07 0.49 -0.22 0.00 0.00 0.00 0.00 174.94 175.28 1ie5 s ALA 89 N -0.22 2.50 -0.14 9.38 0.00 -0.04 -1.84 121.76 131.41 1ie5 s ALA 89 Ca 0.01 -1.69 -0.17 0.00 0.00 0.00 0.00 51.96 50.10 1ie5 s ALA 89 Cb -0.11 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.78 1ie5 s ALA 89 CO 0.02 0.34 0.46 -2.00 0.00 0.00 0.00 175.76 174.58 1ie5 s GLU 90 N -2.98 0.61 0.00 0.00 2.12 0.47 -0.85 118.70 118.07 1ie5 s GLU 90 Ca 0.23 0.49 0.00 0.00 0.36 0.00 0.00 54.97 56.05 1ie5 s GLU 90 Cb -0.06 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1ie5 s GLU 90 CO 0.11 -0.11 0.00 0.27 -0.54 0.00 0.00 175.26 174.99 1ie5 n ASN 91 N 2.42 0.00 0.13 -1.70 6.94 -0.20 -0.38 115.26 122.47 1ie5 n ASN 91 Ca -0.15 -0.84 0.12 0.00 -0.02 0.00 0.00 54.58 53.69 1ie5 n ASN 91 Cb 0.57 0.00 0.47 0.00 -2.36 0.00 0.00 39.78 38.46 1ie5 n ASN 91 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1ie5 n LYS 92 N 0.00 0.22 -0.09 -3.83 0.00 -1.26 -3.42 118.16 109.79 1ie5 n LYS 92 Ca 0.00 0.37 -0.09 0.00 -0.00 0.00 0.00 58.31 58.59 1ie5 n LYS 92 Cb 0.00 -1.87 -0.16 0.00 -0.00 0.00 0.00 35.03 33.00 1ie5 n LYS 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ie5 n ALA 93 N -1.79 1.55 0.00 0.58 0.00 -1.26 -5.10 120.51 114.49 1ie5 n ALA 93 Ca 0.03 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1ie5 n ALA 93 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 1.72 -0.64 3.13 0.00 0.00 -1.22 -4.66 105.19 103.52 1ie5 n GLY 94 Ca -0.31 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 1ie5 n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ie5 s GLU 95 N -0.05 0.66 0.20 1.61 2.02 -1.26 -1.03 118.70 120.85 1ie5 s GLU 95 Ca 0.00 -1.00 -0.19 0.00 0.02 0.00 0.00 54.97 53.79 1ie5 s GLU 95 Cb 0.00 0.25 0.04 0.00 0.10 0.00 0.00 34.13 34.52 1ie5 s GLU 95 CO 0.00 -0.16 0.57 -1.14 0.02 0.00 0.00 175.26 174.54 1ie5 s GLN 96 N -3.49 1.42 0.09 1.61 2.00 -0.03 -4.69 119.66 116.58 1ie5 s GLN 96 Ca 0.03 -0.80 -0.15 0.00 -2.00 0.00 0.00 55.36 52.43 1ie5 s GLN 96 Cb 0.04 0.55 0.03 0.00 0.80 0.00 0.00 33.01 34.43 1ie5 s GLN 96 CO -0.09 -0.61 0.36 0.16 -0.50 0.00 0.00 175.29 174.61 1ie5 s ASP 97 N -2.86 -0.18 0.33 6.67 -4.77 -1.26 -0.86 116.67 113.74 1ie5 s ASP 97 Ca 0.08 -0.27 -0.04 0.00 -3.30 0.00 0.00 52.55 49.02 1ie5 s ASP 97 Cb -0.02 0.43 0.00 0.00 -1.09 0.00 0.00 42.92 42.24 1ie5 s ASP 97 CO -0.03 -0.76 0.47 0.00 0.70 0.00 0.00 175.17 175.55 1ie5 s ALA 98 N -3.31 0.62 -0.11 2.11 0.00 0.00 -4.77 121.76 116.30 1ie5 s ALA 98 Ca 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 1ie5 s ALA 98 Cb 0.01 1.14 0.05 0.00 0.00 0.00 0.00 23.12 24.32 1ie5 s ALA 98 CO -0.08 -0.80 0.27 0.99 0.00 0.00 0.00 175.76 176.14 1ie5 s THR 99 N -3.21 -0.03 0.48 0.00 2.01 -1.26 -0.71 115.64 112.92 1ie5 s THR 99 Ca 0.29 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.48 1ie5 s THR 99 Cb -0.00 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 72.10 1ie5 s THR 99 CO 0.18 0.05 0.31 -0.63 -0.69 0.00 0.00 174.62 173.84 1ie5 s ILE 100 N 1.13 1.99 0.01 1.82 1.01 -0.14 -4.81 121.20 122.22 1ie5 s ILE 100 Ca -0.08 -1.56 -0.06 0.00 0.00 0.00 0.00 60.65 58.95 1ie5 s ILE 100 Cb -0.09 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 1ie5 s ILE 100 CO -0.08 0.00 0.11 -2.28 0.00 0.00 0.00 174.94 172.69 1ie5 s HIS 101 N -2.67 0.10 -0.16 3.97 2.46 -0.86 -0.89 115.29 117.24 1ie5 s HIS 101 Ca 0.37 -0.27 -0.04 0.00 0.47 0.00 0.00 55.06 55.59 1ie5 s HIS 101 Cb -0.00 -0.09 0.06 0.00 -0.13 0.00 0.00 32.58 32.42 1ie5 s HIS 101 CO 0.22 -0.30 0.08 -1.17 -2.47 0.00 0.00 174.74 171.09 1ie5 s LEU 102 N -1.58 0.48 0.17 8.88 2.96 0.10 -0.66 118.68 129.03 1ie5 s LEU 102 Ca -0.13 -0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 53.03 1ie5 s LEU 102 Cb -0.06 -0.30 -0.08 0.00 0.50 0.00 0.00 46.19 46.25 1ie5 s LEU 102 CO -0.00 -0.33 0.66 -0.54 -1.32 0.00 0.00 176.35 174.81 1ie5 s LYS 103 N 2.09 4.19 -0.05 1.98 -0.14 -0.40 -1.86 119.74 125.55 1ie5 s LYS 103 Ca 0.02 0.76 0.01 0.00 -1.36 0.00 0.00 55.97 55.41 1ie5 s LYS 103 Cb -0.16 -2.98 0.02 0.00 -1.68 0.00 0.00 37.83 33.04 1ie5 s LYS 103 CO -0.08 0.47 -0.06 0.08 -0.76 0.00 0.00 175.35 174.99 1ie5 s VAL 104 N -1.42 0.66 0.35 3.17 1.01 -1.26 -2.29 120.40 120.63 1ie5 s VAL 104 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1ie5 s VAL 104 Cb -0.17 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 1ie5 s VAL 104 CO 0.21 0.25 0.00 2.22 0.00 0.00 0.00 175.10 177.78 1ie5 n PHE 105 N 3.94 0.81 -2.37 5.22 1.16 -0.57 -4.96 117.46 120.70 1ie5 n PHE 105 Ca -0.25 -1.74 -0.00 0.00 -1.87 0.00 0.00 57.45 53.59 1ie5 n PHE 105 Cb 0.51 -0.23 -0.00 0.00 -1.61 0.00 0.00 39.48 38.15 1ie5 n PHE 105 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ie5 n ALA 106 N -1.88 2.88 -1.25 1.98 0.00 -1.26 -0.32 120.51 120.65 1ie5 n ALA 106 Ca -0.15 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.54 1ie5 n ALA 106 Cb 0.45 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1ie5 n ALA 106 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86