#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 1.10 0.06 1.61 2.20 -1.26 -5.08 119.74 118.37 1ie5 s LYS 2 Ca 0.00 -0.29 0.22 0.00 -0.36 0.00 0.00 55.97 55.55 1ie5 s LYS 2 Cb 0.00 0.51 -0.11 0.00 -1.51 0.00 0.00 37.83 36.71 1ie5 s LYS 2 CO 0.00 -0.46 0.84 -0.25 -0.36 0.00 0.00 175.35 175.12 1ie5 n ASP 3 N -0.09 0.48 -0.09 1.43 8.00 -1.26 -4.48 116.55 120.54 1ie5 n ASP 3 Ca -0.15 -0.04 -0.19 0.00 0.71 0.00 0.00 54.79 55.12 1ie5 n ASP 3 Cb 0.63 1.13 -0.13 0.00 -0.02 0.00 0.00 41.12 42.73 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 -2.23 1.58 -0.26 0.53 5.41 -1.26 -2.12 119.36 121.01 1ie5 n ILE 4 Ca -0.01 -0.61 -0.01 0.00 1.00 0.00 0.00 62.75 63.13 1ie5 n ILE 4 Cb 0.51 -1.48 0.22 0.00 -0.71 0.00 0.00 39.64 38.17 1ie5 n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ie5 n GLN 5 N -3.31 3.02 -3.74 0.38 3.00 -1.26 -4.83 117.38 110.65 1ie5 n GLN 5 Ca -0.41 -1.97 -0.13 0.00 -0.01 0.00 0.00 57.00 54.48 1ie5 n GLN 5 Cb 1.01 -1.92 -0.08 0.00 0.00 0.00 0.00 30.24 29.25 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1ie5 s VAL 6 N -2.11 0.06 -1.17 5.09 1.01 -1.26 -5.07 120.40 116.96 1ie5 s VAL 6 Ca 0.35 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1ie5 s VAL 6 Cb 0.27 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.89 1ie5 s VAL 6 CO 0.09 -0.29 1.71 -0.63 0.00 0.00 0.00 175.10 175.98 1ie5 s ILE 7 N -1.91 3.92 0.00 2.22 -1.09 -1.26 -4.14 121.20 118.93 1ie5 s ILE 7 Ca -0.09 -1.31 0.00 0.00 -2.23 0.00 0.00 60.65 57.01 1ie5 s ILE 7 Cb -0.03 -4.96 0.00 0.00 -1.58 0.00 0.00 42.46 35.89 1ie5 s ILE 7 CO 0.01 -1.75 0.00 0.52 -1.23 0.00 0.00 174.94 172.49 1ie5 n VAL 8 N 6.88 0.00 -1.62 2.92 0.31 -1.26 -5.13 118.33 120.43 1ie5 n VAL 8 Ca 0.43 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.43 1ie5 n VAL 8 Cb 0.48 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.47 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 -0.88 4.79 -0.03 4.52 6.03 -0.90 -4.92 114.94 123.54 1ie5 s ASN 9 Ca 0.00 2.08 -0.01 0.00 -1.03 0.00 0.00 52.86 53.91 1ie5 s ASN 9 Cb 0.00 -2.56 0.03 0.00 -3.03 0.00 0.00 41.25 35.69 1ie5 s ASN 9 CO 0.00 -1.85 0.05 -0.69 -2.03 0.00 0.00 177.10 172.59 1ie5 s VAL 10 N -2.29 -0.06 0.96 3.54 1.01 0.50 -4.98 120.40 119.07 1ie5 s VAL 10 Ca 0.68 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.77 1ie5 s VAL 10 Cb -0.22 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.10 1ie5 s VAL 10 CO 0.43 0.09 0.48 -2.65 0.00 0.00 0.00 175.10 173.45 1ie5 n PRO 11 N 4.29 -0.43 -2.15 2.72 -0.02 -1.26 -2.40 135.00 135.74 1ie5 n PRO 11 Ca -0.26 -0.08 -0.36 0.00 -2.02 0.00 0.00 63.50 60.78 1ie5 n PRO 11 Cb 0.50 -1.91 0.01 0.00 -0.02 0.00 0.00 33.50 32.08 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 -3.75 3.37 -0.38 0.52 0.04 -1.26 -4.52 135.00 129.02 1ie5 s PRO 12 Ca 0.58 1.78 0.12 0.00 0.04 0.00 0.00 61.00 63.52 1ie5 s PRO 12 Cb -0.21 -2.14 0.43 0.00 0.04 0.00 0.00 34.50 32.62 1ie5 s PRO 12 CO 0.66 -0.87 0.98 0.45 0.04 0.00 0.00 177.00 178.27 1ie5 n SER 13 N -1.08 2.67 -4.70 6.66 2.88 0.11 -4.60 113.62 115.56 1ie5 n SER 13 Ca 0.11 -3.13 -0.42 0.00 -1.33 0.00 0.00 58.87 54.09 1ie5 n SER 13 Cb 0.49 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.41 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 -3.95 3.55 0.06 2.46 0.11 -1.26 -3.93 120.40 117.44 1ie5 s VAL 14 Ca 0.37 1.00 -0.04 0.00 -2.93 0.00 0.00 61.98 60.38 1ie5 s VAL 14 Cb 0.42 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 31.60 1ie5 s VAL 14 CO -0.06 0.02 0.06 -0.13 -3.33 0.00 0.00 175.10 171.66 1ie5 s ARG 15 N 2.07 0.67 -0.45 1.54 0.52 0.05 -4.24 118.95 119.11 1ie5 s ARG 15 Ca 0.65 -1.04 -0.29 0.00 -0.52 0.00 0.00 55.73 54.53 1ie5 s ARG 15 Cb -0.34 0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.41 1ie5 s ARG 15 CO 0.28 -0.16 1.17 0.00 0.02 0.00 0.00 175.30 176.61 1ie5 s ALA 16 N -3.59 3.18 0.00 2.13 0.00 -1.26 -1.05 121.76 121.18 1ie5 s ALA 16 Ca 0.03 -0.37 0.32 0.00 0.00 0.00 0.00 51.96 51.94 1ie5 s ALA 16 Cb 0.05 -3.87 1.36 0.00 0.00 0.00 0.00 23.12 20.65 1ie5 s ALA 16 CO -0.09 -2.18 1.94 -0.09 0.00 0.00 0.00 175.76 175.35 1ie5 h ARG 17 N 9.29 0.00 -1.88 0.00 2.43 -1.83 -3.43 114.38 118.95 1ie5 h ARG 17 Ca -0.23 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1ie5 h ARG 17 Cb 1.07 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.40 1ie5 h ARG 17 CO 1.11 0.00 0.25 -1.14 -1.51 0.00 0.00 179.97 178.68 1ie5 s GLN 18 N -3.62 0.82 0.14 0.20 2.00 -1.26 -5.02 119.66 112.92 1ie5 s GLN 18 Ca 0.01 0.63 0.14 0.00 -2.00 0.00 0.00 55.36 54.15 1ie5 s GLN 18 Cb 0.09 0.39 -0.08 0.00 0.80 0.00 0.00 33.01 34.21 1ie5 s GLN 18 CO 0.49 -0.17 1.10 0.66 -0.50 0.00 0.00 175.29 176.87 1ie5 h SER 19 N 4.05 0.00 -2.27 6.67 4.64 -1.88 -3.45 113.55 121.30 1ie5 h SER 19 Ca -0.27 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.83 1ie5 h SER 19 Cb 1.16 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.92 1ie5 h SER 19 CO 0.18 0.64 -0.54 -0.89 -0.87 0.00 0.00 176.83 175.36 1ie5 s THR 20 N -2.88 -0.48 0.44 2.95 2.01 -1.26 -1.62 115.64 114.81 1ie5 s THR 20 Ca -0.00 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.05 1ie5 s THR 20 Cb 0.08 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.90 1ie5 s THR 20 CO 0.79 -0.12 0.59 -0.04 -0.69 0.00 0.00 174.62 175.16 1ie5 s MET 21 N 2.45 2.73 0.14 4.92 -1.94 0.30 -4.99 119.30 122.91 1ie5 s MET 21 Ca 0.08 -1.32 -0.10 0.00 -1.71 0.00 0.00 55.69 52.64 1ie5 s MET 21 Cb -0.15 -2.72 -0.00 0.00 2.01 0.00 0.00 34.83 33.97 1ie5 s MET 21 CO -0.13 -0.36 0.29 0.54 -0.01 0.00 0.00 175.02 175.34 1ie5 s ASN 22 N -4.39 0.02 0.11 3.03 4.22 -1.26 -1.38 114.94 115.28 1ie5 s ASN 22 Ca 0.56 -0.74 -0.25 0.00 -2.14 0.00 0.00 52.86 50.29 1ie5 s ASN 22 Cb -0.09 0.42 0.07 0.00 1.28 0.00 0.00 41.25 42.93 1ie5 s ASN 22 CO 0.34 -0.86 0.62 0.00 -2.04 0.00 0.00 177.10 175.16 1ie5 s ALA 23 N -3.92 -1.64 -0.27 3.54 0.00 -1.00 -4.92 121.76 113.54 1ie5 s ALA 23 Ca 0.12 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 1ie5 s ALA 23 Cb 0.03 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 1ie5 s ALA 23 CO -0.04 -0.67 0.17 0.99 0.00 0.00 0.00 175.76 176.21 1ie5 s THR 24 N -3.10 5.15 0.55 0.00 2.01 -1.26 -1.59 115.64 117.40 1ie5 s THR 24 Ca -0.02 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1ie5 s THR 24 Cb -0.01 -3.44 0.06 0.00 0.01 0.00 0.00 72.50 69.12 1ie5 s THR 24 CO -0.07 0.27 0.77 0.00 -0.69 0.00 0.00 174.62 174.90 1ie5 s ALA 25 N 1.68 4.19 -1.22 7.40 0.00 0.39 -4.26 121.76 129.93 1ie5 s ALA 25 Ca 0.07 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.35 1ie5 s ALA 25 Cb -0.16 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1ie5 s ALA 25 CO 0.09 -0.79 0.24 -1.71 0.00 0.00 0.00 175.76 173.59 1ie5 n ASN 26 N -2.29 -4.76 0.00 0.00 2.85 -1.26 -4.13 115.26 105.66 1ie5 n ASN 26 Ca 0.11 -0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1ie5 n ASN 26 Cb 0.60 -3.75 0.00 0.00 1.24 0.00 0.00 39.78 37.87 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ie5 n LEU 27 N -2.62 0.00 -2.76 1.20 -0.00 -1.26 -5.02 117.00 106.53 1ie5 n LEU 27 Ca -0.13 -0.39 -0.14 0.00 -0.00 0.00 0.00 56.01 55.35 1ie5 n LEU 27 Cb 0.61 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.10 1ie5 n LEU 27 CO 0.28 0.44 0.11 -1.20 -0.00 0.00 0.00 177.39 177.03 1ie5 n SER 28 N 0.00 -3.01 -4.72 1.45 7.64 -1.26 -5.02 113.62 108.70 1ie5 n SER 28 Ca 0.00 -0.43 -0.29 0.00 1.01 0.00 0.00 58.87 59.15 1ie5 n SER 28 Cb 0.41 -3.84 0.14 0.00 -1.01 0.00 0.00 64.21 59.91 1ie5 n SER 28 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ie5 s GLN 29 N -5.29 1.13 -0.03 1.43 0.74 -1.25 -4.49 119.66 111.90 1ie5 s GLN 29 Ca 0.13 0.68 0.04 0.00 0.05 0.00 0.00 55.36 56.27 1ie5 s GLN 29 Cb -0.06 -1.81 -0.00 0.00 1.10 0.00 0.00 33.01 32.24 1ie5 s GLN 29 CO 0.53 -2.29 -0.15 -1.12 -0.55 0.00 0.00 175.29 171.71 1ie5 s SER 30 N -3.53 1.86 -0.06 6.67 0.01 -1.26 -0.81 113.70 116.58 1ie5 s SER 30 Ca 0.64 -0.30 -0.06 0.00 1.31 0.00 0.00 55.95 57.54 1ie5 s SER 30 Cb -0.17 -0.46 0.02 0.00 0.21 0.00 0.00 66.02 65.61 1ie5 s SER 30 CO 0.57 0.14 0.16 -0.69 0.41 0.00 0.00 173.24 173.82 1ie5 s VAL 31 N 0.01 -0.00 -0.06 3.43 1.01 0.07 -5.00 120.40 119.87 1ie5 s VAL 31 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1ie5 s VAL 31 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1ie5 s VAL 31 CO 0.01 0.00 0.07 -0.89 0.00 0.00 0.00 175.10 174.30 1ie5 s THR 32 N 0.15 4.79 0.20 3.92 2.01 -1.26 -0.64 115.64 124.81 1ie5 s THR 32 Ca -0.01 -0.21 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 1ie5 s THR 32 Cb -0.02 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.40 1ie5 s THR 32 CO -0.00 0.49 0.51 -1.48 -0.69 0.00 0.00 174.62 173.45 1ie5 s LEU 33 N -1.31 0.16 -0.16 4.42 0.05 -0.92 -5.00 118.68 115.92 1ie5 s LEU 33 Ca 0.18 -0.57 -0.29 0.00 0.05 0.00 0.00 54.13 53.50 1ie5 s LEU 33 Cb -0.12 2.05 0.10 0.00 -2.05 0.00 0.00 46.19 46.17 1ie5 s LEU 33 CO 0.08 -1.07 0.84 0.00 -0.55 0.00 0.00 176.35 175.66 1ie5 s ALA 34 N -3.90 -1.86 -0.50 1.48 0.00 -1.26 -0.77 121.76 114.96 1ie5 s ALA 34 Ca 0.11 1.60 0.04 0.00 0.00 0.00 0.00 51.96 53.71 1ie5 s ALA 34 Cb -0.01 -0.64 0.13 0.00 0.00 0.00 0.00 23.12 22.60 1ie5 s ALA 34 CO -0.01 -0.32 0.26 0.00 0.00 0.00 0.00 175.76 175.69 1ie5 s ASP 36 N -0.16 6.56 -0.47 0.00 1.47 -0.21 -4.59 116.67 119.26 1ie5 s ASP 36 Ca 0.17 2.63 0.03 0.00 1.18 0.00 0.00 52.55 56.57 1ie5 s ASP 36 Cb -0.25 -2.59 0.13 0.00 -0.34 0.00 0.00 42.92 39.87 1ie5 s ASP 36 CO -0.00 -0.85 0.24 0.00 0.68 0.00 0.00 175.17 175.23 1ie5 s ALA 37 N 1.31 2.75 0.26 2.11 0.00 -1.26 -0.77 121.76 126.15 1ie5 s ALA 37 Ca 0.71 -2.91 -0.00 0.00 0.00 0.00 0.00 51.96 49.76 1ie5 s ALA 37 Cb -0.44 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1ie5 s ALA 37 CO 0.31 -2.01 0.45 0.34 0.00 0.00 0.00 175.76 174.85 1ie5 s ASP 38 N 0.09 6.36 0.00 0.00 2.15 -1.25 -4.75 116.67 119.27 1ie5 s ASP 38 Ca 0.17 0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.56 1ie5 s ASP 38 Cb -0.25 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1ie5 s ASP 38 CO -0.01 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 1ie5 n GLY 39 N -1.10 1.18 2.85 2.66 0.00 -1.26 -0.71 105.19 108.80 1ie5 n GLY 39 Ca -0.05 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.18 0.91 1.61 0.08 -1.01 -3.64 117.98 113.75 1ie5 s PHE 40 Ca 0.00 0.60 -0.11 0.00 0.12 0.00 0.00 56.93 57.54 1ie5 s PHE 40 Cb 0.00 -0.24 0.10 0.00 -0.57 0.00 0.00 43.02 42.31 1ie5 s PHE 40 CO 0.00 -0.26 0.94 -2.30 -0.10 0.00 0.00 175.22 173.50 1ie5 n PRO 41 N 5.20 -0.30 -1.40 0.24 -0.02 -1.26 -0.37 135.00 137.08 1ie5 n PRO 41 Ca -0.07 -0.03 -0.55 0.00 -2.02 0.00 0.00 63.50 60.84 1ie5 n PRO 41 Cb 0.50 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 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 -3.33 0.00 -1.87 -0.52 1.02 -1.24 -4.88 120.64 109.82 1ie5 n GLU 42 Ca 0.11 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.94 1ie5 n GLU 42 Cb 0.52 -1.30 0.04 0.00 -0.02 0.00 0.00 31.44 30.68 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 1.13 3.00 -0.11 3.49 0.04 -1.26 -4.99 135.00 136.29 1ie5 s PRO 43 Ca 0.84 0.53 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 1ie5 s PRO 43 Cb -1.19 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1ie5 s PRO 43 CO 0.59 -0.95 0.13 0.99 0.04 0.00 0.00 177.00 177.80 1ie5 s THR 44 N -3.32 5.39 0.06 1.26 2.01 -0.03 -4.98 115.64 116.03 1ie5 s THR 44 Ca 0.58 0.14 -0.19 0.00 0.31 0.00 0.00 61.69 62.52 1ie5 s THR 44 Cb -0.11 -3.35 0.04 0.00 0.01 0.00 0.00 72.50 69.09 1ie5 s THR 44 CO 0.52 0.60 0.46 0.00 -0.69 0.00 0.00 174.62 175.51 1ie5 s MET 45 N -1.07 1.00 0.21 4.92 0.23 -1.26 -0.62 119.30 122.71 1ie5 s MET 45 Ca 0.16 -0.38 -0.09 0.00 -1.03 0.00 0.00 55.69 54.34 1ie5 s MET 45 Cb -0.12 0.45 -0.01 0.00 -1.53 0.00 0.00 34.83 33.62 1ie5 s MET 45 CO 0.05 -0.36 0.35 0.95 -2.03 0.00 0.00 175.02 173.97 1ie5 s THR 46 N -2.74 0.02 0.17 3.16 -4.23 -0.49 -4.88 115.64 106.65 1ie5 s THR 46 Ca -0.04 -1.50 -0.15 0.00 -1.18 0.00 0.00 61.69 58.83 1ie5 s THR 46 Cb -0.00 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.73 1ie5 s THR 46 CO -0.04 -0.10 0.44 -1.66 -0.54 0.00 0.00 174.62 172.72 1ie5 s TRP 47 N -4.03 -0.02 0.07 3.99 1.48 -1.26 -1.21 118.94 117.96 1ie5 s TRP 47 Ca 0.24 -0.33 0.02 0.00 -1.06 0.00 0.00 56.10 54.97 1ie5 s TRP 47 Cb 0.02 0.26 -0.03 0.00 -1.16 0.00 0.00 33.47 32.56 1ie5 s TRP 47 CO 0.06 -0.82 -0.08 0.95 -4.06 0.00 0.00 176.95 173.01 1ie5 s THR 48 N -3.88 0.64 -1.06 0.66 -4.23 -0.31 -0.37 115.64 107.09 1ie5 s THR 48 Ca 0.09 -1.42 -0.03 0.00 -1.18 0.00 0.00 61.69 59.15 1ie5 s THR 48 Cb 0.01 -1.05 0.20 0.00 1.34 0.00 0.00 72.50 73.00 1ie5 s THR 48 CO -0.04 -0.56 2.23 1.17 -0.54 0.00 0.00 174.62 176.88 1ie5 n LYS 49 N 0.87 4.38 -0.92 3.99 4.81 0.25 -2.54 118.16 129.01 1ie5 n LYS 49 Ca -0.19 -3.69 0.00 0.00 -0.87 0.00 0.00 58.31 53.56 1ie5 n LYS 49 Cb 0.57 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.14 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 0.81 -3.81 0.00 3.14 2.03 -1.24 -4.20 116.55 113.27 1ie5 n ASP 50 Ca 0.55 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1ie5 n ASP 50 Cb 0.29 -2.34 0.00 0.00 -0.72 0.00 0.00 41.12 38.35 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 -0.69 0.46 3.89 0.27 0.00 -1.26 -5.02 105.19 102.84 1ie5 n GLY 51 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 3.33 0.24 1.61 -1.05 -1.26 -5.01 118.70 116.56 1ie5 s GLU 52 Ca 0.00 -0.47 -0.30 0.00 -0.15 0.00 0.00 54.97 54.06 1ie5 s GLU 52 Cb 0.00 -2.99 -0.09 0.00 -0.44 0.00 0.00 34.13 30.61 1ie5 s GLU 52 CO 0.00 0.61 1.11 -2.14 0.95 0.00 0.00 175.26 175.80 1ie5 s PRO 53 N -2.36 4.61 -0.63 -4.83 0.02 -1.26 -0.58 135.00 129.97 1ie5 s PRO 53 Ca 0.32 1.79 0.01 0.00 0.02 0.00 0.00 61.00 63.14 1ie5 s PRO 53 Cb -0.13 -3.22 0.42 0.00 0.02 0.00 0.00 34.50 31.59 1ie5 s PRO 53 CO 0.25 0.13 1.76 -0.89 -0.33 0.00 0.00 177.00 177.92 1ie5 n ILE 54 N 1.71 3.26 -1.55 2.83 5.41 0.50 -4.87 119.36 126.64 1ie5 n ILE 54 Ca 0.01 -3.86 -0.36 0.00 1.00 0.00 0.00 62.75 59.54 1ie5 n ILE 54 Cb 0.45 -1.20 -0.03 0.00 -0.71 0.00 0.00 39.64 38.15 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 -3.83 2.12 0.21 0.38 -1.05 -1.26 -4.43 118.70 110.83 1ie5 s GLU 55 Ca 0.56 1.44 0.12 0.00 -0.15 0.00 0.00 54.97 56.94 1ie5 s GLU 55 Cb 0.46 -4.58 0.66 0.00 -0.44 0.00 0.00 34.13 30.23 1ie5 s GLU 55 CO -0.15 -3.26 1.33 1.04 0.95 0.00 0.00 175.26 175.17 1ie5 n GLN 56 N 9.00 0.08 0.00 -4.83 1.13 -1.26 -0.56 117.38 120.94 1ie5 n GLN 56 Ca 0.37 0.55 0.12 0.00 -1.94 0.00 0.00 57.00 56.10 1ie5 n GLN 56 Cb 0.55 -1.84 0.19 0.00 0.11 0.00 0.00 30.24 29.25 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 -1.92 0.82 0.00 -1.09 -0.58 -1.26 -4.73 120.64 111.87 1ie5 n GLU 57 Ca -0.01 -0.58 0.00 0.00 -0.42 0.00 0.00 57.16 56.15 1ie5 n GLU 57 Cb 0.10 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 1ie5 n GLU 57 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ie5 n ASP 58 N -0.58 0.00 -4.69 1.62 2.03 -0.80 -5.09 116.55 109.04 1ie5 n ASP 58 Ca 0.10 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.04 1ie5 n ASP 58 Cb 0.39 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.70 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 -0.43 6.26 0.00 1.67 0.01 0.27 -4.92 114.94 117.81 1ie5 s ASN 59 Ca 0.00 0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.45 1ie5 s ASN 59 Cb 0.00 -2.15 0.00 0.00 0.41 0.00 0.00 41.25 39.51 1ie5 s ASN 59 CO 0.00 0.06 0.16 -0.62 -1.51 0.00 0.00 177.10 175.19 1ie5 n GLU 60 N 4.05 0.00 -0.64 -0.60 1.02 -1.26 -4.41 120.64 118.80 1ie5 n GLU 60 Ca -0.13 -0.11 0.50 0.00 -0.02 0.00 0.00 57.16 57.39 1ie5 n GLU 60 Cb 0.52 -0.10 0.80 0.00 -0.02 0.00 0.00 31.44 32.63 1ie5 n GLU 60 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1ie5 h GLU 61 N 0.00 0.01 -0.12 3.49 4.11 -2.00 -2.57 114.58 117.49 1ie5 h GLU 61 Ca 0.00 -0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 1ie5 h GLU 61 Cb 1.01 -0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.07 1ie5 h GLU 61 CO 0.00 0.00 -0.45 0.36 0.07 0.00 0.00 179.01 178.99 1ie5 n LYS 62 N -4.08 1.24 -3.61 1.06 2.85 -1.26 -5.12 118.16 109.25 1ie5 n LYS 62 Ca 0.42 -1.91 -0.09 0.00 -1.05 0.00 0.00 58.31 55.68 1ie5 n LYS 62 Cb 1.88 -0.13 -0.02 0.00 -0.65 0.00 0.00 35.03 36.11 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 -0.31 -0.35 0.09 5.58 -0.85 -0.97 -1.22 117.35 119.32 1ie5 s TYR 63 Ca 0.20 0.06 -0.25 0.00 -0.52 0.00 0.00 57.07 56.56 1ie5 s TYR 63 Cb 0.41 0.61 0.08 0.00 0.38 0.00 0.00 41.96 43.44 1ie5 s TYR 63 CO -0.08 -0.90 0.66 -1.12 -1.52 0.00 0.00 175.55 172.59 1ie5 s SER 64 N -2.78 -0.56 0.24 -0.18 0.01 -0.87 -4.80 113.70 104.76 1ie5 s SER 64 Ca 0.06 0.15 -0.00 0.00 1.31 0.00 0.00 55.95 57.47 1ie5 s SER 64 Cb -0.02 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1ie5 s SER 64 CO -0.04 -0.84 0.31 2.22 0.41 0.00 0.00 173.24 175.30 1ie5 n PHE 65 N -0.08 -1.03 -2.69 2.43 -1.74 -1.26 -0.98 117.46 112.11 1ie5 n PHE 65 Ca -0.16 -1.66 -0.09 0.00 -0.56 0.00 0.00 57.45 54.97 1ie5 n PHE 65 Cb 0.63 0.35 0.04 0.00 1.52 0.00 0.00 39.48 42.02 1ie5 n PHE 65 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1ie5 n ASN 66 N -1.84 0.74 0.25 5.98 6.94 -1.25 -4.99 115.26 121.09 1ie5 n ASN 66 Ca 0.01 -1.58 0.15 0.00 -0.02 0.00 0.00 54.58 53.15 1ie5 n ASN 66 Cb 0.40 -0.24 0.53 0.00 -2.36 0.00 0.00 39.78 38.11 1ie5 n ASN 66 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1ie5 h TYR 67 N -0.23 0.00 0.00 -2.53 -0.00 -2.03 -3.02 116.97 109.16 1ie5 h TYR 67 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.60 1ie5 h TYR 67 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.27 1ie5 h TYR 67 CO 0.00 0.00 -0.14 0.22 -0.00 0.00 0.00 178.16 178.24 1ie5 h ASP 68 N 0.00 0.00 0.00 0.10 3.58 -1.96 -3.48 116.42 114.66 1ie5 h ASP 68 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1ie5 h ASP 68 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1ie5 h ASP 68 CO 0.00 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 1ie5 n GLY 69 N 1.18 0.73 0.05 -0.78 0.00 -1.14 -4.39 105.19 100.84 1ie5 n GLY 69 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1ie5 n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ie5 n SER 70 N 0.00 3.07 -4.36 1.61 3.41 -1.26 -4.88 113.62 111.21 1ie5 n SER 70 Ca 0.00 -0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 1ie5 n SER 70 Cb 0.00 0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1ie5 n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ie5 n GLU 71 N -2.65 2.95 -2.34 4.33 1.02 -1.26 -3.70 120.64 118.99 1ie5 n GLU 71 Ca -0.18 -3.02 -0.41 0.00 -0.02 0.00 0.00 57.16 53.53 1ie5 n GLU 71 Cb 0.73 -3.45 -0.03 0.00 -0.02 0.00 0.00 31.44 28.67 1ie5 n GLU 71 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ie5 s LEU 72 N 4.19 3.38 -0.31 -4.62 2.96 0.05 -3.87 118.68 120.47 1ie5 s LEU 72 Ca 0.54 0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 54.56 1ie5 s LEU 72 Cb 0.06 -2.99 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 1ie5 s LEU 72 CO 0.05 -1.80 0.57 -0.63 -1.32 0.00 0.00 176.35 173.22 1ie5 s ILE 73 N 6.45 4.99 -0.24 6.68 1.01 -0.15 -2.17 121.20 137.77 1ie5 s ILE 73 Ca 0.55 0.71 -0.06 0.00 0.00 0.00 0.00 60.65 61.84 1ie5 s ILE 73 Cb -0.11 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 1ie5 s ILE 73 CO 0.24 -0.12 0.04 -0.63 0.00 0.00 0.00 174.94 174.47 1ie5 s ILE 74 N 2.49 4.04 0.26 2.92 1.01 0.19 -2.06 121.20 130.05 1ie5 s ILE 74 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 1ie5 s ILE 74 Cb -0.15 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1ie5 s ILE 74 CO 0.12 0.37 0.45 -1.59 0.00 0.00 0.00 174.94 174.29 1ie5 s LYS 75 N 1.54 3.51 -1.17 2.79 -2.85 -0.36 -0.75 119.74 122.46 1ie5 s LYS 75 Ca 0.06 -0.34 -0.07 0.00 -1.00 0.00 0.00 55.97 54.62 1ie5 s LYS 75 Cb -0.15 -2.77 -0.03 0.00 -2.06 0.00 0.00 37.83 32.83 1ie5 s LYS 75 CO 0.02 0.31 0.84 1.17 0.10 0.00 0.00 175.35 177.78 1ie5 n LYS 76 N -1.10 -3.44 -2.42 1.78 3.00 -0.53 -4.84 118.16 110.62 1ie5 n LYS 76 Ca -0.05 0.70 -0.41 0.00 -0.00 0.00 0.00 58.31 58.55 1ie5 n LYS 76 Cb 0.55 -5.26 -0.04 0.00 0.00 0.00 0.00 35.03 30.29 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ie5 s VAL 77 N -3.49 3.54 0.34 3.15 1.01 0.01 -4.88 120.40 120.08 1ie5 s VAL 77 Ca 0.26 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 1ie5 s VAL 77 Cb -0.06 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1ie5 s VAL 77 CO 0.79 0.27 0.44 -1.81 0.00 0.00 0.00 175.10 174.79 1ie5 s ASP 78 N -0.32 0.98 0.49 3.32 1.01 -1.26 -3.94 116.67 116.96 1ie5 s ASP 78 Ca 0.49 -1.51 0.33 0.00 0.71 0.00 0.00 52.55 52.57 1ie5 s ASP 78 Cb -0.32 0.64 1.77 0.00 1.01 0.00 0.00 42.92 46.02 1ie5 s ASP 78 CO 0.39 -1.25 2.01 0.11 0.21 0.00 0.00 175.17 176.64 1ie5 h LYS 79 N 2.13 0.00 0.00 8.23 1.57 -1.94 -1.01 116.57 125.55 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 -2.68 0.41 -0.23 0.86 3.41 -1.26 -2.93 113.62 111.21 1ie5 n SER 80 Ca -0.02 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1ie5 n SER 80 Cb 0.07 -0.70 0.41 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.97 0.96 -4.57 4.04 8.00 -0.38 -4.93 116.55 117.69 1ie5 n ASP 81 Ca 0.02 -0.85 -0.49 0.00 0.71 0.00 0.00 54.79 54.18 1ie5 n ASP 81 Cb 0.17 0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.69 1.07 -3.53 -1.24 2.13 -1.15 -4.99 120.64 112.24 1ie5 n GLU 82 Ca 0.12 0.38 -0.11 0.00 0.66 0.00 0.00 57.16 58.21 1ie5 n GLU 82 Cb 0.34 -1.84 -0.03 0.00 0.27 0.00 0.00 31.44 30.18 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 -0.30 -1.31 -0.49 4.31 0.00 -1.22 -5.00 121.76 117.75 1ie5 s ALA 83 Ca 0.72 0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.99 1ie5 s ALA 83 Cb -0.86 0.82 0.30 0.00 0.00 0.00 0.00 23.12 23.37 1ie5 s ALA 83 CO 0.53 -0.73 0.73 -1.91 0.00 0.00 0.00 175.76 174.38 1ie5 n GLU 84 N -0.32 1.85 -1.57 0.00 2.13 -1.26 -1.40 120.64 120.07 1ie5 n GLU 84 Ca -0.16 -4.02 -0.56 0.00 0.66 0.00 0.00 57.16 53.08 1ie5 n GLU 84 Cb 0.64 -1.85 -0.07 0.00 0.27 0.00 0.00 31.44 30.43 1ie5 n GLU 84 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1ie5 n TYR 85 N 0.58 1.18 -4.76 4.31 4.01 0.07 -3.73 117.16 118.83 1ie5 n TYR 85 Ca 0.27 0.83 -0.33 0.00 -0.16 0.00 0.00 57.90 58.51 1ie5 n TYR 85 Cb 0.50 -2.23 -0.16 0.00 -0.31 0.00 0.00 39.34 37.14 1ie5 n TYR 85 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ie5 s ILE 86 N 0.56 2.44 -0.03 -0.72 1.01 -1.05 -1.31 121.20 122.10 1ie5 s ILE 86 Ca 0.89 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 60.74 1ie5 s ILE 86 Cb -1.12 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 1ie5 s ILE 86 CO 0.54 0.53 -0.22 0.00 0.00 0.00 0.00 174.94 175.80 1ie5 s ILE 88 N -0.33 0.15 0.05 0.00 1.01 -0.35 -0.79 121.20 120.95 1ie5 s ILE 88 Ca 0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1ie5 s ILE 88 Cb -0.10 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.18 1ie5 s ILE 88 CO 0.01 -0.08 0.10 0.00 0.00 0.00 0.00 174.94 174.96 1ie5 s ALA 89 N -0.36 -0.00 -0.12 9.38 0.00 -0.13 -1.40 121.76 129.13 1ie5 s ALA 89 Ca -0.03 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 1ie5 s ALA 89 Cb -0.03 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1ie5 s ALA 89 CO -0.00 -0.38 0.55 -2.00 0.00 0.00 0.00 175.76 173.93 1ie5 s GLU 90 N -3.20 0.79 0.20 0.00 2.12 0.21 -0.65 118.70 118.16 1ie5 s GLU 90 Ca 0.00 0.43 -0.03 0.00 0.36 0.00 0.00 54.97 55.72 1ie5 s GLU 90 Cb 0.02 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.80 1ie5 s GLU 90 CO -0.07 -0.18 0.33 0.27 -0.54 0.00 0.00 175.26 175.07 1ie5 n ASN 91 N 1.90 -0.93 0.29 -1.70 6.94 -0.23 -0.86 115.26 120.67 1ie5 n ASN 91 Ca -0.17 -2.01 0.17 0.00 -0.02 0.00 0.00 54.58 52.55 1ie5 n ASN 91 Cb 0.56 1.65 0.97 0.00 -2.36 0.00 0.00 39.78 40.60 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 -1.94 -2.90 116.57 107.90 1ie5 h LYS 92 Ca -0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.48 1ie5 h LYS 92 Cb 0.68 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.91 1ie5 h LYS 92 CO 0.22 0.00 -1.83 0.00 -0.00 0.00 0.00 179.45 177.83 1ie5 n ALA 93 N -2.26 2.75 0.00 0.07 0.00 -1.26 -5.10 120.51 114.70 1ie5 n ALA 93 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1ie5 n ALA 93 Cb 0.13 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.25 -0.56 3.37 0.00 0.00 -1.10 -4.58 105.19 103.57 1ie5 n GLY 94 Ca -0.04 -0.72 -0.15 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 -0.49 0.85 0.23 1.61 2.12 -1.26 -1.07 118.70 120.68 1ie5 s GLU 95 Ca 0.00 0.02 -0.21 0.00 0.36 0.00 0.00 54.97 55.14 1ie5 s GLU 95 Cb 0.00 0.39 0.04 0.00 0.26 0.00 0.00 34.13 34.82 1ie5 s GLU 95 CO 0.00 -0.25 0.66 -1.14 -0.54 0.00 0.00 175.26 173.99 1ie5 s GLN 96 N -1.25 1.58 0.13 4.30 2.00 0.17 -4.86 119.66 121.73 1ie5 s GLN 96 Ca -0.12 -0.81 -0.18 0.00 -2.00 0.00 0.00 55.36 52.25 1ie5 s GLN 96 Cb -0.03 0.59 0.04 0.00 0.80 0.00 0.00 33.01 34.42 1ie5 s GLN 96 CO 0.07 -0.71 0.45 0.16 -0.50 0.00 0.00 175.29 174.76 1ie5 s ASP 97 N -2.86 -0.32 0.34 6.67 -4.77 -1.26 -0.95 116.67 113.51 1ie5 s ASP 97 Ca 0.08 -0.24 -0.08 0.00 -3.30 0.00 0.00 52.55 49.02 1ie5 s ASP 97 Cb -0.04 0.50 0.01 0.00 -1.09 0.00 0.00 42.92 42.31 1ie5 s ASP 97 CO -0.00 -0.88 0.55 0.00 0.70 0.00 0.00 175.17 175.54 1ie5 s ALA 98 N -3.78 0.21 -0.09 2.11 0.00 0.03 -4.77 121.76 115.48 1ie5 s ALA 98 Ca 0.02 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 1ie5 s ALA 98 Cb 0.01 1.02 0.03 0.00 0.00 0.00 0.00 23.12 24.18 1ie5 s ALA 98 CO -0.12 -0.85 0.31 0.99 0.00 0.00 0.00 175.76 176.09 1ie5 s THR 99 N -3.06 0.02 0.06 0.00 2.01 -1.26 -1.38 115.64 112.02 1ie5 s THR 99 Ca 0.25 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 1ie5 s THR 99 Cb -0.02 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 1ie5 s THR 99 CO 0.16 -0.08 0.08 -0.63 -0.69 0.00 0.00 174.62 173.46 1ie5 s ILE 100 N -0.29 0.17 0.14 1.82 1.01 -0.43 -4.74 121.20 118.87 1ie5 s ILE 100 Ca -0.04 -1.36 0.07 0.00 0.00 0.00 0.00 60.65 59.32 1ie5 s ILE 100 Cb -0.03 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1ie5 s ILE 100 CO 0.02 -0.75 -0.17 -2.28 0.00 0.00 0.00 174.94 171.76 1ie5 s HIS 101 N -3.46 1.63 -0.13 3.97 5.65 -0.64 -0.75 115.29 121.56 1ie5 s HIS 101 Ca 0.02 -0.50 -0.02 0.00 0.25 0.00 0.00 55.06 54.82 1ie5 s HIS 101 Cb 0.04 -0.84 0.04 0.00 -1.18 0.00 0.00 32.58 30.64 1ie5 s HIS 101 CO -0.09 0.24 0.00 -1.17 -0.65 0.00 0.00 174.74 173.07 1ie5 s LEU 102 N -2.48 0.98 -0.56 8.88 2.96 -0.49 -0.54 118.68 127.43 1ie5 s LEU 102 Ca 0.12 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 53.40 1ie5 s LEU 102 Cb -0.06 -0.59 0.08 0.00 0.50 0.00 0.00 46.19 46.12 1ie5 s LEU 102 CO 0.05 -0.23 0.67 -0.54 -1.32 0.00 0.00 176.35 174.98 1ie5 s LYS 103 N 1.87 3.08 -0.17 1.98 1.02 -0.48 -3.37 119.74 123.66 1ie5 s LYS 103 Ca 0.02 -1.14 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 1ie5 s LYS 103 Cb -0.14 -4.20 -0.05 0.00 -0.52 0.00 0.00 37.83 32.92 1ie5 s LYS 103 CO -0.07 -1.41 0.22 0.08 -0.92 0.00 0.00 175.35 173.26 1ie5 s VAL 104 N 2.67 5.35 -0.00 3.17 1.01 -1.26 -2.38 120.40 128.95 1ie5 s VAL 104 Ca 0.13 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.57 1ie5 s VAL 104 Cb -0.22 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1ie5 s VAL 104 CO 0.09 0.42 -0.20 0.72 0.00 0.00 0.00 175.10 176.13 1ie5 s PHE 105 N 0.35 1.76 -0.43 5.22 -0.12 -0.62 -4.90 117.98 119.24 1ie5 s PHE 105 Ca 0.13 -0.34 -0.02 0.00 -0.05 0.00 0.00 56.93 56.65 1ie5 s PHE 105 Cb -0.12 -1.12 0.17 0.00 -0.63 0.00 0.00 43.02 41.32 1ie5 s PHE 105 CO 0.02 -0.01 2.36 0.00 -0.05 0.00 0.00 175.22 177.54 1ie5 n ALA 106 N 2.46 5.88 -0.62 1.99 0.00 -1.26 -0.46 120.51 128.51 1ie5 n ALA 106 Ca -0.15 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1ie5 n ALA 106 Cb 0.53 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13