#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 0.84 0.00 1.61 -2.85 -1.26 -5.05 119.74 113.03 1ie5 s LYS 2 Ca 0.00 -0.36 0.23 0.00 -1.00 0.00 0.00 55.97 54.85 1ie5 s LYS 2 Cb 0.00 0.35 0.15 0.00 -2.06 0.00 0.00 37.83 36.28 1ie5 s LYS 2 CO 0.00 -0.37 1.17 -0.40 0.10 0.00 0.00 175.35 175.85 1ie5 n ASP 3 N -0.29 1.03 -3.65 0.03 5.75 -1.26 -4.35 116.55 113.81 1ie5 n ASP 3 Ca -0.07 -0.86 -0.41 0.00 -0.01 0.00 0.00 54.79 53.44 1ie5 n ASP 3 Cb 0.61 0.58 -0.00 0.00 -1.03 0.00 0.00 41.12 41.28 1ie5 n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1ie5 n ILE 4 N -1.14 4.40 -3.85 2.12 5.41 -1.26 -4.49 119.36 120.55 1ie5 n ILE 4 Ca 0.06 -3.81 -0.01 0.00 1.00 0.00 0.00 62.75 60.00 1ie5 n ILE 4 Cb 0.36 -2.38 0.01 0.00 -0.71 0.00 0.00 39.64 36.92 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 3.71 0.37 -0.15 0.38 10.64 -1.26 -5.04 117.38 126.03 1ie5 n GLN 5 Ca 0.54 -0.94 -0.01 0.00 -1.83 0.00 0.00 57.00 54.77 1ie5 n GLN 5 Cb 0.32 1.33 0.05 0.00 -0.86 0.00 0.00 30.24 31.08 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1ie5 n VAL 6 N -0.60 0.77 -3.53 -0.39 0.31 -1.26 -4.35 118.33 109.28 1ie5 n VAL 6 Ca 0.00 -0.24 -0.28 0.00 -0.01 0.00 0.00 64.34 63.81 1ie5 n VAL 6 Cb 0.44 -0.64 -0.15 0.00 -0.91 0.00 0.00 33.84 32.58 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 -0.96 -0.08 -1.21 2.52 -1.09 -1.26 -5.09 121.20 114.02 1ie5 s ILE 7 Ca 0.08 -0.79 -0.13 0.00 -2.23 0.00 0.00 60.65 57.58 1ie5 s ILE 7 Cb 0.07 -0.99 0.17 0.00 -1.58 0.00 0.00 42.46 40.13 1ie5 s ILE 7 CO 0.02 -0.73 1.46 0.52 -1.23 0.00 0.00 174.94 174.98 1ie5 n VAL 8 N 5.20 4.27 -1.61 2.92 0.31 -1.26 -4.51 118.33 123.65 1ie5 n VAL 8 Ca -0.05 -4.73 -0.43 0.00 -0.01 0.00 0.00 64.34 59.12 1ie5 n VAL 8 Cb 0.42 -2.46 -0.03 0.00 -0.91 0.00 0.00 33.84 30.86 1ie5 n VAL 8 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ie5 n ASN 9 N 5.49 3.41 -4.27 4.52 3.02 -1.26 -4.52 115.26 121.65 1ie5 n ASN 9 Ca 0.37 0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 54.94 1ie5 n ASN 9 Cb 0.42 -1.54 -0.16 0.00 -0.61 0.00 0.00 39.78 37.89 1ie5 n ASN 9 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ie5 s VAL 10 N 7.56 2.31 0.82 2.41 1.01 0.50 -4.70 120.40 130.31 1ie5 s VAL 10 Ca 0.99 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 1ie5 s VAL 10 Cb -0.37 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1ie5 s VAL 10 CO 0.37 0.55 0.64 -2.65 0.00 0.00 0.00 175.10 174.02 1ie5 n PRO 11 N 3.42 0.07 -2.92 2.72 -0.02 -1.26 -3.47 135.00 133.54 1ie5 n PRO 11 Ca -0.19 0.08 -0.34 0.00 -2.02 0.00 0.00 63.50 61.03 1ie5 n PRO 11 Cb 0.53 -1.98 -0.07 0.00 -0.02 0.00 0.00 33.50 31.96 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 -3.38 4.26 -0.41 0.52 0.04 -1.26 -4.61 135.00 130.16 1ie5 s PRO 12 Ca 0.64 1.03 0.04 0.00 0.04 0.00 0.00 61.00 62.75 1ie5 s PRO 12 Cb -0.29 -2.46 0.17 0.00 0.04 0.00 0.00 34.50 31.96 1ie5 s PRO 12 CO 0.60 0.13 0.34 -1.12 0.04 0.00 0.00 177.00 176.98 1ie5 s SER 13 N -2.02 1.48 0.30 6.66 0.01 -0.28 -4.25 113.70 115.60 1ie5 s SER 13 Ca 0.55 -3.05 -0.20 0.00 1.31 0.00 0.00 55.95 54.57 1ie5 s SER 13 Cb -0.12 -0.44 -0.09 0.00 0.21 0.00 0.00 66.02 65.57 1ie5 s SER 13 CO 0.17 -0.17 0.80 0.54 0.41 0.00 0.00 173.24 174.99 1ie5 s VAL 14 N 0.08 4.51 0.18 3.43 0.11 -1.26 -3.04 120.40 124.40 1ie5 s VAL 14 Ca 0.32 1.31 -0.05 0.00 -2.93 0.00 0.00 61.98 60.63 1ie5 s VAL 14 Cb 0.03 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 31.09 1ie5 s VAL 14 CO -0.19 -0.01 0.20 0.00 -3.33 0.00 0.00 175.10 171.77 1ie5 s ARG 15 N -2.49 1.16 0.02 1.54 1.70 -1.09 -4.50 118.95 115.29 1ie5 s ARG 15 Ca 0.51 -1.40 -0.22 0.00 -0.47 0.00 0.00 55.73 54.15 1ie5 s ARG 15 Cb -0.14 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.51 1ie5 s ARG 15 CO 0.19 -0.40 0.66 0.00 -1.08 0.00 0.00 175.30 174.67 1ie5 s ALA 16 N -4.06 3.44 0.21 7.88 0.00 -1.26 -1.11 121.76 126.87 1ie5 s ALA 16 Ca 0.26 0.13 0.14 0.00 0.00 0.00 0.00 51.96 52.49 1ie5 s ALA 16 Cb 0.05 -2.84 0.44 0.00 0.00 0.00 0.00 23.12 20.77 1ie5 s ALA 16 CO 0.05 0.13 1.64 -0.09 0.00 0.00 0.00 175.76 177.49 1ie5 h ARG 17 N 5.60 0.00 -1.75 0.00 2.43 -1.76 -3.46 114.38 115.44 1ie5 h ARG 17 Ca -0.45 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.82 1ie5 h ARG 17 Cb 1.20 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.55 1ie5 h ARG 17 CO 0.70 0.54 0.54 1.14 -1.51 0.00 0.00 179.97 181.38 1ie5 s GLN 18 N -3.55 0.64 0.29 0.20 -2.07 -1.26 -5.07 119.66 108.84 1ie5 s GLN 18 Ca -0.00 0.02 0.22 0.00 -1.82 0.00 0.00 55.36 53.77 1ie5 s GLN 18 Cb 0.12 0.30 0.12 0.00 -1.09 0.00 0.00 33.01 32.46 1ie5 s GLN 18 CO 0.74 -0.23 1.27 0.66 -1.32 0.00 0.00 175.29 176.40 1ie5 h SER 19 N 2.39 0.00 -3.70 12.60 4.64 -1.89 -3.45 113.55 124.14 1ie5 h SER 19 Ca -0.19 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.81 1ie5 h SER 19 Cb 1.18 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.97 1ie5 h SER 19 CO 0.31 0.09 -0.75 -0.89 -0.87 0.00 0.00 176.83 174.72 1ie5 s THR 20 N -3.23 0.25 0.31 2.95 2.01 -1.26 -1.08 115.64 115.60 1ie5 s THR 20 Ca 0.02 -0.06 0.10 0.00 0.31 0.00 0.00 61.69 62.07 1ie5 s THR 20 Cb 0.08 -0.27 -0.06 0.00 0.01 0.00 0.00 72.50 72.26 1ie5 s THR 20 CO 0.74 0.11 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.63 1ie5 s MET 21 N 0.38 1.83 0.00 4.92 1.00 0.41 -4.97 119.30 122.87 1ie5 s MET 21 Ca -0.04 -1.81 -0.07 0.00 0.00 0.00 0.00 55.69 53.77 1ie5 s MET 21 Cb -0.07 -1.79 0.00 0.00 0.00 0.00 0.00 34.83 32.97 1ie5 s MET 21 CO -0.01 0.23 0.14 -0.80 0.00 0.00 0.00 175.02 174.58 1ie5 s ASN 22 N -3.59 0.03 0.02 3.03 0.01 -1.26 -1.23 114.94 111.95 1ie5 s ASN 22 Ca 0.32 -0.22 -0.28 0.00 -0.71 0.00 0.00 52.86 51.96 1ie5 s ASN 22 Cb -0.01 0.20 0.07 0.00 0.41 0.00 0.00 41.25 41.92 1ie5 s ASN 22 CO 0.16 -0.38 0.66 0.00 -1.51 0.00 0.00 177.10 176.04 1ie5 s ALA 23 N -1.43 -1.72 -0.29 0.60 0.00 -0.76 -4.95 121.76 113.22 1ie5 s ALA 23 Ca -0.15 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 1ie5 s ALA 23 Cb -0.07 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1ie5 s ALA 23 CO 0.01 -0.52 0.18 0.99 0.00 0.00 0.00 175.76 176.43 1ie5 s THR 24 N -2.13 5.19 0.77 0.00 2.01 -1.26 -1.91 115.64 118.32 1ie5 s THR 24 Ca -0.06 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 61.91 1ie5 s THR 24 Cb -0.00 -3.50 0.09 0.00 0.01 0.00 0.00 72.50 69.10 1ie5 s THR 24 CO 0.01 0.22 1.10 0.00 -0.69 0.00 0.00 174.62 175.26 1ie5 s ALA 25 N 1.74 2.93 0.00 7.40 0.00 -0.03 -4.29 121.76 129.50 1ie5 s ALA 25 Ca 0.07 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1ie5 s ALA 25 Cb -0.16 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1ie5 s ALA 25 CO 0.10 -1.59 0.00 -1.71 0.00 0.00 0.00 175.76 172.56 1ie5 n ASN 26 N -3.15 0.00 -0.43 0.00 2.85 -1.26 -4.67 115.26 108.60 1ie5 n ASN 26 Ca 0.10 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.66 1ie5 n ASN 26 Cb 0.60 -1.24 -0.01 0.00 1.24 0.00 0.00 39.78 40.38 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ie5 n LEU 27 N 0.00 1.84 -2.64 1.20 4.77 -1.26 -5.01 117.00 115.90 1ie5 n LEU 27 Ca 0.00 -0.75 -0.20 0.00 -0.03 0.00 0.00 56.01 55.03 1ie5 n LEU 27 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1ie5 n LEU 27 CO 0.00 0.35 -0.03 -1.54 -1.33 0.00 0.00 177.39 174.84 1ie5 n SER 28 N -0.10 -5.64 -4.60 -1.43 3.41 -1.20 -4.99 113.62 99.07 1ie5 n SER 28 Ca 0.08 -0.23 -0.31 0.00 -0.26 0.00 0.00 58.87 58.15 1ie5 n SER 28 Cb 0.41 -4.49 0.16 0.00 -0.26 0.00 0.00 64.21 60.03 1ie5 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ie5 n GLN 29 N -3.58 -0.52 -4.67 4.33 6.02 -1.25 -3.85 117.38 113.86 1ie5 n GLN 29 Ca -0.12 -0.09 -0.33 0.00 -0.01 0.00 0.00 57.00 56.45 1ie5 n GLN 29 Cb 0.62 -2.25 -0.12 0.00 1.02 0.00 0.00 30.24 29.51 1ie5 n GLN 29 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1ie5 s SER 30 N -2.48 4.44 -0.02 1.08 0.01 -1.26 -0.83 113.70 114.64 1ie5 s SER 30 Ca 0.65 -0.13 -0.00 0.00 1.31 0.00 0.00 55.95 57.77 1ie5 s SER 30 Cb -0.23 -1.29 0.03 0.00 0.21 0.00 0.00 66.02 64.74 1ie5 s SER 30 CO 0.61 0.29 0.03 -0.69 0.41 0.00 0.00 173.24 173.89 1ie5 s VAL 31 N -0.38 -0.05 -0.09 3.43 1.01 0.45 -5.01 120.40 119.77 1ie5 s VAL 31 Ca 0.05 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1ie5 s VAL 31 Cb -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 1ie5 s VAL 31 CO 0.02 0.07 0.01 -0.89 0.00 0.00 0.00 175.10 174.32 1ie5 s THR 32 N 0.91 4.37 0.21 3.92 2.01 -1.26 -0.53 115.64 125.27 1ie5 s THR 32 Ca -0.08 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.52 1ie5 s THR 32 Cb -0.11 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.58 1ie5 s THR 32 CO -0.03 0.60 0.54 -1.48 -0.69 0.00 0.00 174.62 173.56 1ie5 s LEU 33 N -0.91 0.07 -0.07 4.42 0.05 -0.95 -5.02 118.68 116.28 1ie5 s LEU 33 Ca 0.14 -0.56 -0.31 0.00 0.05 0.00 0.00 54.13 53.45 1ie5 s LEU 33 Cb -0.11 2.16 0.07 0.00 -2.05 0.00 0.00 46.19 46.26 1ie5 s LEU 33 CO 0.03 -1.10 0.68 0.00 -0.55 0.00 0.00 176.35 175.41 1ie5 s ALA 34 N -3.90 -1.77 -0.46 1.48 0.00 -1.26 -1.19 121.76 114.65 1ie5 s ALA 34 Ca 0.11 1.38 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 1ie5 s ALA 34 Cb -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 23.12 23.13 1ie5 s ALA 34 CO -0.00 -0.37 0.26 0.00 0.00 0.00 0.00 175.76 175.65 1ie5 s ASP 36 N 1.43 5.68 0.16 0.00 -4.77 -0.27 -4.36 116.67 114.53 1ie5 s ASP 36 Ca 0.11 -0.24 -0.03 0.00 -3.30 0.00 0.00 52.55 49.09 1ie5 s ASP 36 Cb -0.22 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.01 1ie5 s ASP 36 CO -0.04 -2.16 0.37 0.00 0.70 0.00 0.00 175.17 174.05 1ie5 s ALA 37 N 7.66 3.82 0.17 2.11 0.00 -1.26 -2.68 121.76 131.58 1ie5 s ALA 37 Ca 0.54 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1ie5 s ALA 37 Cb -0.09 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 1ie5 s ALA 37 CO 0.13 0.60 0.23 -0.51 0.00 0.00 0.00 175.76 176.20 1ie5 s ASP 38 N -2.71 0.11 0.00 0.00 1.01 -1.17 -4.90 116.67 109.01 1ie5 s ASP 38 Ca 0.40 -1.01 0.00 0.00 0.71 0.00 0.00 52.55 52.64 1ie5 s ASP 38 Cb -0.12 0.41 0.00 0.00 1.01 0.00 0.00 42.92 44.22 1ie5 s ASP 38 CO 0.27 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.39 1ie5 n GLY 39 N -0.20 1.96 2.82 0.21 0.00 -1.26 -1.13 105.19 107.59 1ie5 n GLY 39 Ca -0.05 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.24 0.80 1.61 0.08 -1.23 -3.48 117.98 113.52 1ie5 s PHE 40 Ca 0.00 0.46 -0.15 0.00 0.12 0.00 0.00 56.93 57.36 1ie5 s PHE 40 Cb 0.00 -0.29 -0.02 0.00 -0.57 0.00 0.00 43.02 42.14 1ie5 s PHE 40 CO 0.00 -0.43 0.47 -2.30 -0.10 0.00 0.00 175.22 172.86 1ie5 n PRO 41 N 5.32 0.12 -1.49 0.24 -0.02 -1.26 -0.37 135.00 137.54 1ie5 n PRO 41 Ca -0.05 0.09 -0.55 0.00 -2.02 0.00 0.00 63.50 60.96 1ie5 n PRO 41 Cb 0.50 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 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 -0.97 0.20 -2.00 -0.52 1.02 -1.23 -4.92 120.64 112.23 1ie5 n GLU 42 Ca 0.09 0.07 -0.31 0.00 -0.02 0.00 0.00 57.16 56.99 1ie5 n GLU 42 Cb 0.51 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 -0.24 3.68 -0.27 3.49 0.04 -1.26 -4.99 135.00 135.45 1ie5 s PRO 43 Ca 0.83 0.81 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 1ie5 s PRO 43 Cb -1.13 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1ie5 s PRO 43 CO 0.56 -0.50 0.16 0.99 0.04 0.00 0.00 177.00 178.24 1ie5 s THR 44 N -3.03 5.11 -0.02 1.26 2.01 0.18 -4.96 115.64 116.20 1ie5 s THR 44 Ca 0.56 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.62 1ie5 s THR 44 Cb -0.11 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.99 1ie5 s THR 44 CO 0.48 0.28 0.09 0.00 -0.69 0.00 0.00 174.62 174.79 1ie5 s MET 45 N 1.60 0.26 0.22 4.92 0.23 -1.26 -0.54 119.30 124.73 1ie5 s MET 45 Ca 0.07 -0.15 -0.10 0.00 -1.03 0.00 0.00 55.69 54.48 1ie5 s MET 45 Cb -0.15 0.11 -0.01 0.00 -1.53 0.00 0.00 34.83 33.25 1ie5 s MET 45 CO 0.08 -0.05 0.38 0.95 -2.03 0.00 0.00 175.02 174.35 1ie5 s THR 46 N -0.64 0.01 0.07 3.16 -4.23 -0.48 -4.91 115.64 108.63 1ie5 s THR 46 Ca -0.07 -1.49 -0.19 0.00 -1.18 0.00 0.00 61.69 58.76 1ie5 s THR 46 Cb -0.04 -2.16 0.04 0.00 1.34 0.00 0.00 72.50 71.68 1ie5 s THR 46 CO 0.00 -0.07 0.46 -1.66 -0.54 0.00 0.00 174.62 172.81 1ie5 s TRP 47 N -4.03 -0.32 0.17 3.99 1.48 -1.26 -1.34 118.94 117.63 1ie5 s TRP 47 Ca 0.24 0.24 0.10 0.00 -1.06 0.00 0.00 56.10 55.62 1ie5 s TRP 47 Cb 0.02 0.29 -0.04 0.00 -1.16 0.00 0.00 33.47 32.57 1ie5 s TRP 47 CO 0.07 -0.64 -0.22 0.95 -4.06 0.00 0.00 176.95 173.06 1ie5 s THR 48 N -2.83 2.11 -0.79 0.66 -4.23 -0.79 -0.43 115.64 109.34 1ie5 s THR 48 Ca -0.03 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.51 1ie5 s THR 48 Cb -0.00 -1.98 0.26 0.00 1.34 0.00 0.00 72.50 72.12 1ie5 s THR 48 CO -0.05 -0.18 2.21 1.17 -0.54 0.00 0.00 174.62 177.23 1ie5 n LYS 49 N 0.35 3.04 -1.64 3.99 4.81 0.31 -3.17 118.16 125.85 1ie5 n LYS 49 Ca -0.13 -3.35 -0.20 0.00 -0.87 0.00 0.00 58.31 53.75 1ie5 n LYS 49 Cb 0.56 -2.28 -0.08 0.00 0.02 0.00 0.00 35.03 33.25 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 -0.03 -5.40 0.00 3.14 2.03 -1.17 -4.32 116.55 110.79 1ie5 n ASP 50 Ca 0.52 0.47 0.00 0.00 0.52 0.00 0.00 54.79 56.30 1ie5 n ASP 50 Cb 0.31 -4.76 0.00 0.00 -0.72 0.00 0.00 41.12 35.96 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 -0.42 0.08 3.17 0.27 0.00 -1.26 -5.02 105.19 102.02 1ie5 n GLY 51 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 0.65 0.36 1.61 -1.05 -1.26 -5.14 118.70 113.88 1ie5 s GLU 52 Ca 0.00 -0.56 -0.25 0.00 -0.15 0.00 0.00 54.97 54.02 1ie5 s GLU 52 Cb 0.00 0.27 -0.10 0.00 -0.44 0.00 0.00 34.13 33.87 1ie5 s GLU 52 CO 0.00 -0.18 0.99 -1.25 0.95 0.00 0.00 175.26 175.77 1ie5 s PRO 53 N -2.26 4.38 -0.48 -4.83 0.04 -1.26 -0.53 135.00 130.05 1ie5 s PRO 53 Ca -0.07 1.39 0.03 0.00 0.04 0.00 0.00 61.00 62.39 1ie5 s PRO 53 Cb -0.03 -2.63 0.51 0.00 0.04 0.00 0.00 34.50 32.39 1ie5 s PRO 53 CO -0.02 0.07 1.75 -0.89 0.04 0.00 0.00 177.00 177.95 1ie5 n ILE 54 N 0.18 3.14 -1.51 0.56 5.41 0.43 -4.87 119.36 122.70 1ie5 n ILE 54 Ca 0.04 -2.89 -0.30 0.00 1.00 0.00 0.00 62.75 60.59 1ie5 n ILE 54 Cb 0.50 -0.83 -0.15 0.00 -0.71 0.00 0.00 39.64 38.45 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 -0.98 0.22 0.31 0.38 0.28 -1.26 -4.74 120.64 114.86 1ie5 n GLU 55 Ca 0.53 -0.11 0.21 0.00 -0.16 0.00 0.00 57.16 57.63 1ie5 n GLU 55 Cb 1.02 -1.88 1.04 0.00 1.43 0.00 0.00 31.44 33.05 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 12.85 0.00 -0.02 3.44 7.50 -1.91 0.13 115.11 137.10 1ie5 h GLN 56 Ca -0.04 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1ie5 h GLN 56 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.73 1ie5 h GLN 56 CO 1.39 0.00 -0.19 -0.85 -1.50 0.00 0.00 178.83 177.68 1ie5 n GLU 57 N -3.03 1.72 0.00 1.46 0.28 -1.26 -4.58 120.64 115.23 1ie5 n GLU 57 Ca -0.02 -1.35 0.00 0.00 -0.16 0.00 0.00 57.16 55.63 1ie5 n GLU 57 Cb 0.13 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.53 1ie5 n GLU 57 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ie5 n ASP 58 N 0.54 0.80 -4.84 -1.84 8.00 -0.86 -5.09 116.55 113.25 1ie5 n ASP 58 Ca 0.13 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.27 1ie5 n ASP 58 Cb 0.50 0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.60 1ie5 n ASP 58 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ie5 s ASN 59 N -1.64 6.15 0.00 -2.24 3.84 0.41 -4.99 114.94 116.47 1ie5 s ASN 59 Ca 0.00 0.38 0.00 0.00 0.21 0.00 0.00 52.86 53.45 1ie5 s ASN 59 Cb 0.00 -1.93 0.00 0.00 -0.55 0.00 0.00 41.25 38.77 1ie5 s ASN 59 CO 0.00 0.38 0.32 -0.62 -2.79 0.00 0.00 177.10 174.39 1ie5 n GLU 60 N 1.83 0.00 0.30 0.43 1.02 -1.26 -4.51 120.64 118.44 1ie5 n GLU 60 Ca -0.18 -0.31 0.20 0.00 -0.02 0.00 0.00 57.16 56.85 1ie5 n GLU 60 Cb 0.54 -0.29 0.95 0.00 -0.02 0.00 0.00 31.44 32.62 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 0.00 0.00 3.49 4.39 -1.99 -3.32 114.58 117.15 1ie5 h GLU 61 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1ie5 h GLU 61 Cb 1.01 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.53 1ie5 h GLU 61 CO 0.00 0.00 -0.21 0.36 -1.16 0.00 0.00 179.01 178.00 1ie5 n LYS 62 N -3.00 0.99 -3.49 2.33 2.85 -1.26 -5.08 118.16 111.49 1ie5 n LYS 62 Ca -0.01 -1.38 -0.09 0.00 -1.05 0.00 0.00 58.31 55.78 1ie5 n LYS 62 Cb 0.17 0.07 -0.02 0.00 -0.65 0.00 0.00 35.03 34.60 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 0.14 -0.37 0.02 5.58 -0.85 -1.25 -1.65 117.35 118.98 1ie5 s TYR 63 Ca 0.14 0.23 -0.13 0.00 -0.52 0.00 0.00 57.07 56.80 1ie5 s TYR 63 Cb 0.33 0.54 0.02 0.00 0.38 0.00 0.00 41.96 43.22 1ie5 s TYR 63 CO -0.08 -0.58 0.27 -1.12 -1.52 0.00 0.00 175.55 172.52 1ie5 s SER 64 N -2.50 -0.10 0.33 -0.18 0.01 -0.41 -4.77 113.70 106.08 1ie5 s SER 64 Ca 0.04 -0.13 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 1ie5 s SER 64 Cb -0.01 0.31 0.02 0.00 0.21 0.00 0.00 66.02 66.55 1ie5 s SER 64 CO -0.09 -0.52 0.57 0.72 0.41 0.00 0.00 173.24 174.33 1ie5 s PHE 65 N -2.01 0.61 0.51 2.43 -0.71 -1.26 -0.59 117.98 116.97 1ie5 s PHE 65 Ca -0.09 -1.00 0.07 0.00 -1.04 0.00 0.00 56.93 54.88 1ie5 s PHE 65 Cb -0.03 0.26 0.04 0.00 -1.21 0.00 0.00 43.02 42.07 1ie5 s PHE 65 CO -0.00 -1.23 0.52 0.54 -1.34 0.00 0.00 175.22 173.71 1ie5 s ASN 66 N -3.13 4.94 0.51 1.98 2.20 -1.22 -5.02 114.94 115.19 1ie5 s ASN 66 Ca 0.24 -0.95 0.28 0.00 -0.94 0.00 0.00 52.86 51.49 1ie5 s ASN 66 Cb -0.02 0.06 1.33 0.00 -2.00 0.00 0.00 41.25 40.63 1ie5 s ASN 66 CO 0.15 -1.04 2.00 1.88 -2.94 0.00 0.00 177.10 177.15 1ie5 h TYR 67 N 0.65 0.00 -0.00 1.54 0.05 -2.03 -1.42 116.97 115.75 1ie5 h TYR 67 Ca -0.36 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.42 1ie5 h TYR 67 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1ie5 h TYR 67 CO 0.67 0.13 -0.07 -0.25 -1.05 0.00 0.00 178.16 177.59 1ie5 n ASP 68 N -3.45 0.09 0.00 3.88 8.00 -1.26 -4.94 116.55 118.87 1ie5 n ASP 68 Ca -0.01 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1ie5 n ASP 68 Cb 0.30 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 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 1.46 0.72 0.04 0.44 0.00 -0.54 -4.63 105.19 102.67 1ie5 n GLY 69 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.31 1.61 4.64 -1.80 -3.44 113.55 112.25 1ie5 h SER 70 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1ie5 h SER 70 Cb 0.03 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.07 1ie5 h SER 70 CO 0.00 0.36 1.21 -1.61 -0.87 0.00 0.00 176.83 175.92 1ie5 s GLU 71 N -1.46 2.97 -0.28 4.77 2.02 -1.26 -3.12 118.70 122.35 1ie5 s GLU 71 Ca -0.02 0.38 -0.13 0.00 0.02 0.00 0.00 54.97 55.22 1ie5 s GLU 71 Cb 0.00 -4.26 -0.04 0.00 0.10 0.00 0.00 34.13 29.93 1ie5 s GLU 71 CO 0.03 -2.35 0.29 -1.17 0.02 0.00 0.00 175.26 172.09 1ie5 s LEU 72 N 7.36 4.04 -0.32 1.80 2.96 -0.33 -3.42 118.68 130.76 1ie5 s LEU 72 Ca 0.55 0.14 -0.13 0.00 -0.22 0.00 0.00 54.13 54.47 1ie5 s LEU 72 Cb -0.11 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 1ie5 s LEU 72 CO 0.21 -0.13 0.28 -0.63 -1.32 0.00 0.00 176.35 174.76 1ie5 s ILE 73 N 1.93 5.25 -0.22 6.68 1.01 0.25 -2.23 121.20 133.86 1ie5 s ILE 73 Ca 0.11 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 1ie5 s ILE 73 Cb -0.16 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1ie5 s ILE 73 CO 0.10 0.05 0.07 -0.63 0.00 0.00 0.00 174.94 174.54 1ie5 s ILE 74 N 1.85 4.62 0.36 2.92 1.01 0.31 -1.29 121.20 130.98 1ie5 s ILE 74 Ca 0.09 -0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1ie5 s ILE 74 Cb -0.17 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 1ie5 s ILE 74 CO 0.11 0.39 0.49 -1.59 0.00 0.00 0.00 174.94 174.34 1ie5 s LYS 75 N 0.98 3.02 -1.36 2.79 -2.85 -0.66 -0.41 119.74 121.25 1ie5 s LYS 75 Ca 0.04 -1.09 -0.02 0.00 -1.00 0.00 0.00 55.97 53.91 1ie5 s LYS 75 Cb -0.14 -2.79 -0.00 0.00 -2.06 0.00 0.00 37.83 32.84 1ie5 s LYS 75 CO 0.03 -0.03 0.50 0.36 0.10 0.00 0.00 175.35 176.31 1ie5 n LYS 76 N -1.69 -3.42 -2.23 1.78 2.85 -0.87 -4.85 118.16 109.73 1ie5 n LYS 76 Ca 0.02 0.45 -0.39 0.00 -1.05 0.00 0.00 58.31 57.34 1ie5 n LYS 76 Cb 0.58 -4.61 -0.02 0.00 -0.65 0.00 0.00 35.03 30.34 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 -3.87 3.00 0.35 0.58 1.01 -0.01 -4.82 120.40 116.65 1ie5 s VAL 77 Ca 0.04 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 62.81 1ie5 s VAL 77 Cb -0.01 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1ie5 s VAL 77 CO 0.87 0.11 0.61 -0.62 0.00 0.00 0.00 175.10 176.08 1ie5 s ASP 78 N -0.96 0.42 0.55 3.32 -1.08 -1.26 -3.27 116.67 114.38 1ie5 s ASP 78 Ca 0.55 -1.27 0.43 0.00 -0.52 0.00 0.00 52.55 51.75 1ie5 s ASP 78 Cb -0.33 0.73 1.64 0.00 -1.46 0.00 0.00 42.92 43.50 1ie5 s ASP 78 CO 0.42 -1.44 1.68 0.11 0.52 0.00 0.00 175.17 176.47 1ie5 h LYS 79 N 2.07 0.00 0.00 4.34 1.57 -1.93 -0.26 116.57 122.36 1ie5 h LYS 79 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1ie5 h LYS 79 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ie5 h LYS 79 CO 0.38 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.13 1ie5 n SER 80 N -4.04 0.00 -0.45 0.86 3.41 -1.26 -3.72 113.62 108.42 1ie5 n SER 80 Ca 0.35 0.48 0.13 0.00 -0.26 0.00 0.00 58.87 59.58 1ie5 n SER 80 Cb 1.63 -0.49 0.44 0.00 -0.26 0.00 0.00 64.21 65.53 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 -1.49 1.49 -4.76 4.04 8.00 -0.11 -4.92 116.55 118.80 1ie5 n ASP 81 Ca 0.05 -1.36 -0.41 0.00 0.71 0.00 0.00 54.79 53.77 1ie5 n ASP 81 Cb 0.23 0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.02 2.60 -3.59 -1.24 2.13 -1.24 -4.94 120.64 114.37 1ie5 n GLU 82 Ca 0.16 0.91 -0.09 0.00 0.66 0.00 0.00 57.16 58.81 1ie5 n GLU 82 Cb 0.37 -2.63 -0.02 0.00 0.27 0.00 0.00 31.44 29.43 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 -0.88 -1.57 -0.50 4.31 0.00 -0.99 -5.02 121.76 117.12 1ie5 s ALA 83 Ca 0.56 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.91 1ie5 s ALA 83 Cb -0.50 0.74 0.15 0.00 0.00 0.00 0.00 23.12 23.51 1ie5 s ALA 83 CO 0.60 -0.86 0.30 -2.00 0.00 0.00 0.00 175.76 173.81 1ie5 s GLU 84 N -3.58 1.54 0.18 0.00 2.12 -1.26 -1.68 118.70 116.02 1ie5 s GLU 84 Ca 0.06 -2.35 -0.31 0.00 0.36 0.00 0.00 54.97 52.73 1ie5 s GLU 84 Cb -0.02 -2.54 -0.09 0.00 0.26 0.00 0.00 34.13 31.74 1ie5 s GLU 84 CO -0.05 -1.21 1.39 0.71 -0.54 0.00 0.00 175.26 175.56 1ie5 s TYR 85 N -0.11 3.18 -0.14 5.30 2.02 0.11 -3.07 117.35 124.64 1ie5 s TYR 85 Ca 0.21 1.04 0.02 0.00 -0.37 0.00 0.00 57.07 57.97 1ie5 s TYR 85 Cb -0.17 -3.71 0.01 0.00 -0.40 0.00 0.00 41.96 37.69 1ie5 s TYR 85 CO -0.06 -2.36 -0.21 0.42 -1.57 0.00 0.00 175.55 171.77 1ie5 s ILE 86 N 0.47 2.01 -0.08 2.71 1.01 -1.19 -1.17 121.20 124.97 1ie5 s ILE 86 Ca 0.61 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1ie5 s ILE 86 Cb -0.39 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1ie5 s ILE 86 CO 0.36 0.54 -0.17 0.00 0.00 0.00 0.00 174.94 175.67 1ie5 s ILE 88 N 0.50 1.29 0.11 0.00 1.09 -0.45 -0.56 121.20 123.18 1ie5 s ILE 88 Ca -0.16 -0.64 0.10 0.00 -1.10 0.00 0.00 60.65 58.86 1ie5 s ILE 88 Cb -0.16 -1.12 -0.04 0.00 -1.06 0.00 0.00 42.46 40.08 1ie5 s ILE 88 CO 0.06 0.38 -0.26 0.00 -0.10 0.00 0.00 174.94 175.02 1ie5 s ALA 89 N 0.11 2.40 -0.13 9.38 0.00 -0.18 -1.39 121.76 131.94 1ie5 s ALA 89 Ca -0.04 -1.41 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 1ie5 s ALA 89 Cb -0.11 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.61 1ie5 s ALA 89 CO 0.02 0.55 0.43 -2.00 0.00 0.00 0.00 175.76 174.76 1ie5 s GLU 90 N -1.88 0.57 0.35 0.00 2.12 0.30 -1.01 118.70 119.14 1ie5 s GLU 90 Ca 0.14 0.46 -0.03 0.00 0.36 0.00 0.00 54.97 55.89 1ie5 s GLU 90 Cb -0.10 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.58 1ie5 s GLU 90 CO 0.06 -0.10 0.52 0.27 -0.54 0.00 0.00 175.26 175.47 1ie5 n ASN 91 N 2.47 -1.46 0.33 -1.70 0.23 -0.42 -0.65 115.26 114.06 1ie5 n ASN 91 Ca -0.15 -2.83 0.21 0.00 -0.53 0.00 0.00 54.58 51.29 1ie5 n ASN 91 Cb 0.57 2.67 1.12 0.00 -2.08 0.00 0.00 39.78 42.05 1ie5 n ASN 91 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1ie5 h LYS 92 N 0.00 0.00 0.00 -3.83 -0.00 -1.94 -2.83 116.57 107.97 1ie5 h LYS 92 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 1ie5 h LYS 92 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 1ie5 h LYS 92 CO 0.37 0.00 -1.33 0.00 -0.00 0.00 0.00 179.45 178.50 1ie5 n ALA 93 N -2.10 3.29 0.00 0.07 0.00 -1.26 -5.02 120.51 115.49 1ie5 n ALA 93 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1ie5 n ALA 93 Cb 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.89 3.64 0.00 0.00 -1.07 -4.54 105.19 103.65 1ie5 n GLY 94 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.13 0.63 0.28 1.61 2.12 -1.26 -1.30 118.70 120.65 1ie5 s GLU 95 Ca 0.00 0.93 -0.07 0.00 0.36 0.00 0.00 54.97 56.19 1ie5 s GLU 95 Cb 0.00 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.59 1ie5 s GLU 95 CO 0.00 -0.11 0.43 -0.65 -0.54 0.00 0.00 175.26 174.39 1ie5 s GLN 96 N 1.02 1.66 0.11 4.30 -0.21 -0.18 -4.96 119.66 121.39 1ie5 s GLN 96 Ca -0.05 -1.52 -0.20 0.00 0.02 0.00 0.00 55.36 53.60 1ie5 s GLN 96 Cb -0.05 0.43 0.05 0.00 1.00 0.00 0.00 33.01 34.44 1ie5 s GLN 96 CO -0.11 -0.67 0.50 0.16 -2.12 0.00 0.00 175.29 173.04 1ie5 s ASP 97 N -3.13 -0.40 0.34 5.90 -4.77 -1.26 -1.01 116.67 112.33 1ie5 s ASP 97 Ca 0.28 -0.06 0.04 0.00 -3.30 0.00 0.00 52.55 49.52 1ie5 s ASP 97 Cb 0.01 0.52 -0.01 0.00 -1.09 0.00 0.00 42.92 42.34 1ie5 s ASP 97 CO 0.14 -0.84 0.36 0.00 0.70 0.00 0.00 175.17 175.54 1ie5 n ALA 98 N -0.05 0.29 -3.37 2.11 0.00 0.28 -4.81 120.51 114.96 1ie5 n ALA 98 Ca -0.17 -1.81 -0.14 0.00 0.00 0.00 0.00 53.44 51.33 1ie5 n ALA 98 Cb 0.63 1.46 -0.09 0.00 0.00 0.00 0.00 19.45 21.45 1ie5 n ALA 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ie5 s THR 99 N -3.13 0.01 -0.09 0.00 2.01 -1.26 -1.22 115.64 111.96 1ie5 s THR 99 Ca 0.35 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.20 1ie5 s THR 99 Cb 0.01 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 71.85 1ie5 s THR 99 CO 0.25 -0.04 0.24 -0.63 -0.69 0.00 0.00 174.62 173.76 1ie5 s ILE 100 N -0.08 -0.00 -0.04 1.82 1.01 -0.32 -4.80 121.20 118.79 1ie5 s ILE 100 Ca -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1ie5 s ILE 100 Cb -0.03 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 1ie5 s ILE 100 CO 0.02 0.00 0.18 -2.28 0.00 0.00 0.00 174.94 172.86 1ie5 s HIS 101 N 0.21 3.57 -0.17 3.97 5.65 -0.24 0.05 115.29 128.32 1ie5 s HIS 101 Ca -0.01 0.41 0.00 0.00 0.25 0.00 0.00 55.06 55.72 1ie5 s HIS 101 Cb -0.02 -1.87 0.04 0.00 -1.18 0.00 0.00 32.58 29.55 1ie5 s HIS 101 CO -0.00 0.67 -0.11 -1.17 -0.65 0.00 0.00 174.74 173.48 1ie5 s LEU 102 N -1.69 1.95 0.03 8.88 2.96 -0.68 -0.45 118.68 129.68 1ie5 s LEU 102 Ca 0.24 -0.70 -0.19 0.00 -0.22 0.00 0.00 54.13 53.26 1ie5 s LEU 102 Cb -0.12 -1.15 -0.06 0.00 0.50 0.00 0.00 46.19 45.35 1ie5 s LEU 102 CO 0.15 -0.12 0.54 -0.54 -1.32 0.00 0.00 176.35 175.05 1ie5 s LYS 103 N 1.47 4.19 -0.25 1.98 1.02 -0.37 -2.35 119.74 125.43 1ie5 s LYS 103 Ca 0.01 0.65 -0.04 0.00 0.02 0.00 0.00 55.97 56.62 1ie5 s LYS 103 Cb -0.15 -3.28 0.08 0.00 -0.52 0.00 0.00 37.83 33.97 1ie5 s LYS 103 CO -0.09 0.55 0.10 0.08 -0.92 0.00 0.00 175.35 175.07 1ie5 s VAL 104 N -0.74 0.19 -0.04 3.17 1.01 -1.26 -1.83 120.40 120.89 1ie5 s VAL 104 Ca 0.28 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1ie5 s VAL 104 Cb -0.18 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1ie5 s VAL 104 CO 0.17 -0.52 -0.22 0.72 0.00 0.00 0.00 175.10 175.25 1ie5 s PHE 105 N 1.99 2.47 -0.55 5.22 -0.12 -0.80 -4.74 117.98 121.44 1ie5 s PHE 105 Ca 0.06 -0.40 -0.05 0.00 -0.05 0.00 0.00 56.93 56.48 1ie5 s PHE 105 Cb -0.16 -1.56 -0.03 0.00 -0.63 0.00 0.00 43.02 40.63 1ie5 s PHE 105 CO -0.23 -0.00 2.96 0.00 -0.05 0.00 0.00 175.22 177.90 1ie5 n ALA 106 N 2.51 6.58 -0.41 1.99 0.00 -1.26 -0.85 120.51 129.06 1ie5 n ALA 106 Ca -0.17 -2.92 0.00 0.00 0.00 0.00 0.00 53.44 50.36 1ie5 n ALA 106 Cb 0.52 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13