#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie5 n LYS 2 N 0.00 1.25 0.00 1.61 3.00 -1.26 -4.98 118.16 117.78 1ie5 n LYS 2 Ca 0.00 -1.89 0.00 0.00 -0.00 0.00 0.00 58.31 56.42 1ie5 n LYS 2 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 35.03 34.91 1ie5 n LYS 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ie5 n ASP 3 N -0.75 0.26 -0.01 3.14 2.03 -1.26 -3.55 116.55 116.41 1ie5 n ASP 3 Ca -0.05 -1.48 -0.09 0.00 0.52 0.00 0.00 54.79 53.70 1ie5 n ASP 3 Cb 0.85 -0.13 -0.14 0.00 -0.72 0.00 0.00 41.12 40.99 1ie5 n ASP 3 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1ie5 h ILE 4 N 0.00 0.97 0.00 5.18 1.08 -2.01 -3.41 117.51 119.32 1ie5 h ILE 4 Ca 0.00 -2.80 -0.07 0.00 -0.39 0.00 0.00 64.86 61.61 1ie5 h ILE 4 Cb 0.13 2.49 -0.12 0.00 -3.07 0.00 0.00 36.82 36.25 1ie5 h ILE 4 CO 0.00 0.57 -0.47 1.67 -0.69 0.00 0.00 178.15 179.23 1ie5 n GLN 5 N -3.11 0.00 -3.65 2.37 7.27 -1.25 -5.09 117.38 113.93 1ie5 n GLN 5 Ca -0.15 -1.00 -0.13 0.00 0.07 0.00 0.00 57.00 55.79 1ie5 n GLN 5 Cb 1.04 -0.07 -0.06 0.00 2.41 0.00 0.00 30.24 33.55 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1ie5 s VAL 6 N 0.00 0.05 -0.40 1.69 1.01 -1.23 -5.14 120.40 116.38 1ie5 s VAL 6 Ca 0.08 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 1ie5 s VAL 6 Cb 0.10 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1ie5 s VAL 6 CO -0.04 -0.21 0.70 -0.63 0.00 0.00 0.00 175.10 174.92 1ie5 s ILE 7 N -2.21 4.79 0.00 2.22 1.01 -1.26 -4.24 121.20 121.51 1ie5 s ILE 7 Ca -0.07 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1ie5 s ILE 7 Cb -0.01 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1ie5 s ILE 7 CO -0.00 -0.49 0.00 0.52 0.00 0.00 0.00 174.94 174.97 1ie5 n VAL 8 N 5.81 0.00 -1.45 2.92 0.31 -1.26 -5.03 118.33 119.64 1ie5 n VAL 8 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 1ie5 n VAL 8 Cb 0.48 -0.08 -0.08 0.00 -0.91 0.00 0.00 33.84 33.26 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 -1.68 -8.28 -3.72 4.52 5.03 -1.26 -5.03 115.26 104.84 1ie5 n ASN 9 Ca 0.00 1.18 -0.15 0.00 0.87 0.00 0.00 54.58 56.49 1ie5 n ASN 9 Cb 0.00 -4.79 -0.15 0.00 -1.02 0.00 0.00 39.78 33.82 1ie5 n ASN 9 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1ie5 s VAL 10 N -3.69 -0.13 0.94 2.41 1.01 0.15 -4.91 120.40 116.19 1ie5 s VAL 10 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 1ie5 s VAL 10 Cb 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 36.38 36.21 1ie5 s VAL 10 CO 0.00 0.10 0.75 -2.65 0.00 0.00 0.00 175.10 173.30 1ie5 n PRO 11 N 4.60 -0.44 -1.66 2.72 -0.02 -1.26 -3.01 135.00 135.93 1ie5 n PRO 11 Ca -0.19 -0.07 -0.35 0.00 -2.02 0.00 0.00 63.50 60.87 1ie5 n PRO 11 Cb 0.51 -2.10 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 -2.14 1.98 0.00 0.00 175.50 175.34 1ie5 s PRO 12 N -4.11 2.48 -0.34 0.52 0.02 -1.26 -4.58 135.00 127.72 1ie5 s PRO 12 Ca 0.62 1.79 0.15 0.00 0.02 0.00 0.00 61.00 63.58 1ie5 s PRO 12 Cb -0.22 -1.87 0.45 0.00 0.02 0.00 0.00 34.50 32.88 1ie5 s PRO 12 CO 0.63 -1.58 1.01 0.43 -0.33 0.00 0.00 177.00 177.15 1ie5 n SER 13 N -2.27 2.29 -4.72 2.53 7.64 0.04 -4.63 113.62 114.50 1ie5 n SER 13 Ca 0.14 -2.91 -0.42 0.00 1.01 0.00 0.00 58.87 56.68 1ie5 n SER 13 Cb 0.50 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 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 -3.76 3.47 0.29 0.44 0.11 -1.26 -3.95 120.40 115.73 1ie5 s VAL 14 Ca 0.32 1.09 0.03 0.00 -2.93 0.00 0.00 61.98 60.49 1ie5 s VAL 14 Cb 0.43 -3.70 -0.06 0.00 -1.53 0.00 0.00 36.38 31.53 1ie5 s VAL 14 CO -0.02 0.10 0.07 -0.13 -3.33 0.00 0.00 175.10 171.79 1ie5 s ARG 15 N 0.85 1.53 -0.20 1.54 0.52 -1.20 -4.35 118.95 117.64 1ie5 s ARG 15 Ca 0.61 -1.83 -0.18 0.00 -0.52 0.00 0.00 55.73 53.81 1ie5 s ARG 15 Cb -0.35 -0.61 -0.03 0.00 0.52 0.00 0.00 34.95 34.48 1ie5 s ARG 15 CO 0.31 -0.22 0.50 0.00 0.02 0.00 0.00 175.30 175.92 1ie5 s ALA 16 N -3.48 3.55 0.22 2.13 0.00 -1.26 -1.59 121.76 121.31 1ie5 s ALA 16 Ca 0.36 -0.43 0.12 0.00 0.00 0.00 0.00 51.96 52.01 1ie5 s ALA 16 Cb 0.08 -2.79 0.36 0.00 0.00 0.00 0.00 23.12 20.77 1ie5 s ALA 16 CO 0.14 -0.44 1.60 -0.09 0.00 0.00 0.00 175.76 176.97 1ie5 h ARG 17 N 7.48 0.00 -1.85 0.00 2.43 -1.78 -3.44 114.38 117.22 1ie5 h ARG 17 Ca -0.34 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.91 1ie5 h ARG 17 Cb 1.15 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.49 1ie5 h ARG 17 CO 0.73 0.60 0.00 -1.14 -1.51 0.00 0.00 179.97 178.65 1ie5 s GLN 18 N -3.49 0.58 0.47 0.20 0.74 -1.26 -5.06 119.66 111.84 1ie5 s GLN 18 Ca -0.01 1.24 0.30 0.00 0.05 0.00 0.00 55.36 56.94 1ie5 s GLN 18 Cb 0.12 0.52 1.15 0.00 1.10 0.00 0.00 33.01 35.90 1ie5 s GLN 18 CO 0.75 -0.16 1.88 0.77 -0.55 0.00 0.00 175.29 177.98 1ie5 h SER 19 N 7.45 0.00 -3.46 6.67 0.02 -1.86 -3.42 113.55 118.95 1ie5 h SER 19 Ca -0.23 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.37 1ie5 h SER 19 Cb 1.15 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.35 1ie5 h SER 19 CO 0.13 0.00 -0.75 -0.89 -1.14 0.00 0.00 176.83 174.18 1ie5 s THR 20 N -3.53 0.20 0.34 -2.27 2.01 -1.26 -1.34 115.64 109.79 1ie5 s THR 20 Ca 0.03 0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.22 1ie5 s THR 20 Cb 0.09 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 1ie5 s THR 20 CO 0.53 0.16 0.02 -0.04 -0.69 0.00 0.00 174.62 174.60 1ie5 s MET 21 N 1.18 2.09 0.14 4.92 1.00 0.19 -4.98 119.30 123.85 1ie5 s MET 21 Ca -0.08 -1.74 -0.19 0.00 0.00 0.00 0.00 55.69 53.68 1ie5 s MET 21 Cb -0.13 -1.94 0.05 0.00 0.00 0.00 0.00 34.83 32.81 1ie5 s MET 21 CO -0.02 0.13 0.49 0.54 0.00 0.00 0.00 175.02 176.17 1ie5 s ASN 22 N -3.72 -0.39 -0.05 3.03 2.20 -1.26 -1.10 114.94 113.64 1ie5 s ASN 22 Ca 0.35 -0.17 -0.29 0.00 -0.94 0.00 0.00 52.86 51.81 1ie5 s ASN 22 Cb -0.00 0.53 0.10 0.00 -2.00 0.00 0.00 41.25 39.88 1ie5 s ASN 22 CO 0.19 -0.91 0.85 0.00 -2.94 0.00 0.00 177.10 174.30 1ie5 s ALA 23 N -3.76 -1.82 -0.31 3.54 0.00 -1.22 -4.97 121.76 113.22 1ie5 s ALA 23 Ca 0.02 1.21 -0.13 0.00 0.00 0.00 0.00 51.96 53.06 1ie5 s ALA 23 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1ie5 s ALA 23 CO -0.12 -0.51 0.25 0.99 0.00 0.00 0.00 175.76 176.37 1ie5 s THR 24 N -2.13 5.27 0.72 0.00 2.01 -1.26 -1.63 115.64 118.63 1ie5 s THR 24 Ca -0.01 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 61.96 1ie5 s THR 24 Cb -0.01 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.91 1ie5 s THR 24 CO -0.02 0.11 1.07 0.00 -0.69 0.00 0.00 174.62 175.09 1ie5 s ALA 25 N 1.81 2.96 0.00 7.40 0.00 -0.18 -4.19 121.76 129.55 1ie5 s ALA 25 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1ie5 s ALA 25 Cb -0.17 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1ie5 s ALA 25 CO 0.11 -1.29 0.00 0.09 0.00 0.00 0.00 175.76 174.67 1ie5 n ASN 26 N -3.01 0.00 -0.30 0.00 3.02 -1.26 -4.70 115.26 109.00 1ie5 n ASN 26 Ca 0.07 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.71 1ie5 n ASN 26 Cb 0.59 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ie5 n LEU 27 N 0.00 1.53 -3.68 3.41 4.77 -1.26 -5.03 117.00 116.75 1ie5 n LEU 27 Ca 0.00 -0.69 -0.22 0.00 -0.03 0.00 0.00 56.01 55.08 1ie5 n LEU 27 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1ie5 n LEU 27 CO 0.00 0.30 -0.00 -1.20 -1.33 0.00 0.00 177.39 175.16 1ie5 n SER 28 N -0.47 -1.98 -4.73 -1.43 7.64 -1.25 -4.97 113.62 106.42 1ie5 n SER 28 Ca 0.07 -0.77 -0.31 0.00 1.01 0.00 0.00 58.87 58.86 1ie5 n SER 28 Cb 0.36 -4.27 0.11 0.00 -1.01 0.00 0.00 64.21 59.41 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 -5.96 1.87 -0.09 1.43 -0.21 -1.25 -3.90 119.66 111.55 1ie5 s GLN 29 Ca 0.11 1.37 -0.01 0.00 0.02 0.00 0.00 55.36 56.84 1ie5 s GLN 29 Cb -0.05 -1.84 -0.03 0.00 1.00 0.00 0.00 33.01 32.09 1ie5 s GLN 29 CO 0.80 -1.96 -0.02 -1.54 -2.12 0.00 0.00 175.29 170.45 1ie5 s SER 30 N -2.96 5.07 -0.14 5.90 1.04 -1.26 -1.05 113.70 120.29 1ie5 s SER 30 Ca 0.65 0.08 -0.09 0.00 0.48 0.00 0.00 55.95 57.06 1ie5 s SER 30 Cb -0.20 -1.44 0.05 0.00 0.10 0.00 0.00 66.02 64.52 1ie5 s SER 30 CO 0.54 0.35 0.35 -0.69 0.98 0.00 0.00 173.24 174.77 1ie5 s VAL 31 N -0.73 -0.02 -0.08 5.02 1.01 0.15 -5.00 120.40 120.75 1ie5 s VAL 31 Ca 0.11 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 1ie5 s VAL 31 Cb -0.11 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1ie5 s VAL 31 CO 0.02 0.03 0.08 -0.89 0.00 0.00 0.00 175.10 174.34 1ie5 s THR 32 N 0.86 4.89 0.21 3.92 2.01 -1.26 -0.27 115.64 126.00 1ie5 s THR 32 Ca -0.06 -0.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.65 1ie5 s THR 32 Cb -0.06 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.33 1ie5 s THR 32 CO -0.06 0.54 0.55 -1.48 -0.69 0.00 0.00 174.62 173.47 1ie5 s LEU 33 N -1.19 0.03 -0.14 4.42 0.05 -0.86 -5.00 118.68 115.99 1ie5 s LEU 33 Ca 0.17 -0.53 -0.30 0.00 0.05 0.00 0.00 54.13 53.52 1ie5 s LEU 33 Cb -0.12 2.21 0.12 0.00 -2.05 0.00 0.00 46.19 46.35 1ie5 s LEU 33 CO 0.06 -1.10 0.95 0.00 -0.55 0.00 0.00 176.35 175.71 1ie5 s ALA 34 N -3.89 -1.91 -0.38 1.48 0.00 -1.26 -1.01 121.76 114.80 1ie5 s ALA 34 Ca 0.10 1.53 -0.02 0.00 0.00 0.00 0.00 51.96 53.58 1ie5 s ALA 34 Cb -0.02 -0.57 0.10 0.00 0.00 0.00 0.00 23.12 22.63 1ie5 s ALA 34 CO -0.01 -0.33 0.14 0.00 0.00 0.00 0.00 175.76 175.56 1ie5 n ASP 36 N 4.54 4.23 -4.78 0.00 5.75 -0.62 -4.25 116.55 121.42 1ie5 n ASP 36 Ca -0.03 -2.84 -0.36 0.00 -0.01 0.00 0.00 54.79 51.54 1ie5 n ASP 36 Cb 0.42 -1.71 -0.02 0.00 -1.03 0.00 0.00 41.12 38.78 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 5.97 2.96 0.15 2.12 0.00 -1.26 -3.21 121.76 128.49 1ie5 s ALA 37 Ca 0.57 0.79 -0.24 0.00 0.00 0.00 0.00 51.96 53.08 1ie5 s ALA 37 Cb 0.04 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.90 1ie5 s ALA 37 CO 0.08 -0.46 0.79 0.34 0.00 0.00 0.00 175.76 176.51 1ie5 s ASP 38 N -1.59 -0.34 0.00 0.00 2.15 -1.25 -4.91 116.67 110.73 1ie5 s ASP 38 Ca 0.63 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.35 1ie5 s ASP 38 Cb -0.24 0.56 0.00 0.00 -0.30 0.00 0.00 42.92 42.94 1ie5 s ASP 38 CO 0.29 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.93 1ie5 n GLY 39 N -0.39 0.46 2.68 2.66 0.00 -1.26 -0.78 105.19 108.55 1ie5 n GLY 39 Ca -0.09 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 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 0.60 0.82 1.61 0.40 -1.16 -3.13 117.98 115.11 1ie5 s PHE 40 Ca 0.00 -0.56 -0.11 0.00 -0.60 0.00 0.00 56.93 55.66 1ie5 s PHE 40 Cb 0.00 -0.85 0.09 0.00 0.51 0.00 0.00 43.02 42.76 1ie5 s PHE 40 CO 0.00 -0.55 1.12 -1.25 0.70 0.00 0.00 175.22 175.24 1ie5 s PRO 41 N 2.00 1.82 0.05 0.24 0.04 -1.26 -0.67 135.00 137.21 1ie5 s PRO 41 Ca 0.01 1.36 -0.33 0.00 0.04 0.00 0.00 61.00 62.07 1ie5 s PRO 41 Cb -0.16 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 1ie5 s PRO 41 CO -0.08 -2.00 0.84 0.39 0.04 0.00 0.00 177.00 176.18 1ie5 n GLU 42 N -3.68 0.00 -2.15 4.56 1.02 -1.18 -4.90 120.64 114.30 1ie5 n GLU 42 Ca 0.10 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.93 1ie5 n GLU 42 Cb 0.52 -1.24 -0.01 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.25 3.67 -0.37 3.49 0.04 -1.26 -4.97 135.00 135.35 1ie5 s PRO 43 Ca 0.76 0.96 -0.20 0.00 0.04 0.00 0.00 61.00 62.56 1ie5 s PRO 43 Cb -1.07 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 31.38 1ie5 s PRO 43 CO 0.52 -0.51 0.62 0.99 0.04 0.00 0.00 177.00 178.65 1ie5 s THR 44 N -2.75 4.90 0.06 1.26 2.01 0.28 -4.91 115.64 116.49 1ie5 s THR 44 Ca 0.59 0.44 0.01 0.00 0.31 0.00 0.00 61.69 63.04 1ie5 s THR 44 Cb -0.12 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1ie5 s THR 44 CO 0.39 -0.36 -0.06 0.00 -0.69 0.00 0.00 174.62 173.90 1ie5 s MET 45 N 2.68 0.64 0.22 4.92 0.23 -1.26 -0.86 119.30 125.87 1ie5 s MET 45 Ca 0.23 -1.05 -0.16 0.00 -1.03 0.00 0.00 55.69 53.68 1ie5 s MET 45 Cb -0.15 -0.13 0.01 0.00 -1.53 0.00 0.00 34.83 33.03 1ie5 s MET 45 CO 0.15 -0.01 0.51 0.95 -2.03 0.00 0.00 175.02 174.59 1ie5 s THR 46 N -2.72 0.02 0.14 3.16 -4.23 -0.54 -4.70 115.64 106.77 1ie5 s THR 46 Ca 0.01 -1.10 -0.17 0.00 -1.18 0.00 0.00 61.69 59.25 1ie5 s THR 46 Cb -0.01 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 71.98 1ie5 s THR 46 CO -0.04 -0.07 0.44 -1.66 -0.54 0.00 0.00 174.62 172.76 1ie5 s TRP 47 N -3.94 -0.25 0.15 3.99 1.48 -1.26 -1.32 118.94 117.79 1ie5 s TRP 47 Ca 0.15 -0.05 0.07 0.00 -1.06 0.00 0.00 56.10 55.21 1ie5 s TRP 47 Cb -0.01 0.32 -0.04 0.00 -1.16 0.00 0.00 33.47 32.58 1ie5 s TRP 47 CO 0.03 -0.75 -0.17 0.95 -4.06 0.00 0.00 176.95 172.96 1ie5 s THR 48 N -3.80 1.63 -1.13 0.66 -4.23 -0.68 -0.46 115.64 107.63 1ie5 s THR 48 Ca 0.03 -1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 58.64 1ie5 s THR 48 Cb 0.01 -1.73 0.27 0.00 1.34 0.00 0.00 72.50 72.40 1ie5 s THR 48 CO -0.11 -0.36 1.57 1.17 -0.54 0.00 0.00 174.62 176.35 1ie5 n LYS 49 N 0.38 4.24 0.00 3.99 4.81 0.28 -3.67 118.16 128.19 1ie5 n LYS 49 Ca -0.14 -4.30 0.00 0.00 -0.87 0.00 0.00 58.31 53.00 1ie5 n LYS 49 Cb 0.57 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 33.00 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 2.02 0.00 0.00 3.14 2.03 -0.78 -3.72 116.55 119.24 1ie5 n ASP 50 Ca 0.29 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1ie5 n ASP 50 Cb 0.34 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 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 -1.82 0.00 3.89 0.27 0.00 -1.26 -4.98 105.19 101.28 1ie5 n GLY 51 Ca 0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.20 3.69 0.14 1.61 -1.05 -1.24 -5.00 118.70 116.64 1ie5 s GLU 52 Ca 0.00 0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.57 1ie5 s GLU 52 Cb 0.00 -2.82 -0.07 0.00 -0.44 0.00 0.00 34.13 30.80 1ie5 s GLU 52 CO 0.00 0.45 1.01 -2.14 0.95 0.00 0.00 175.26 175.52 1ie5 s PRO 53 N -2.57 4.68 -0.62 -4.83 0.02 -1.26 -0.56 135.00 129.86 1ie5 s PRO 53 Ca 0.41 1.54 -0.01 0.00 0.02 0.00 0.00 61.00 62.97 1ie5 s PRO 53 Cb -0.12 -3.34 0.46 0.00 0.02 0.00 0.00 34.50 31.53 1ie5 s PRO 53 CO 0.23 0.19 1.95 -0.89 -0.33 0.00 0.00 177.00 178.15 1ie5 n ILE 54 N 2.55 3.50 -1.50 2.83 5.41 0.39 -4.88 119.36 127.67 1ie5 n ILE 54 Ca 0.02 -2.99 -0.52 0.00 1.00 0.00 0.00 62.75 60.25 1ie5 n ILE 54 Cb 0.48 -1.11 -0.07 0.00 -0.71 0.00 0.00 39.64 38.23 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 -0.92 1.10 0.00 0.38 0.28 -1.26 -4.53 120.64 115.70 1ie5 n GLU 55 Ca 0.61 0.33 0.05 0.00 -0.16 0.00 0.00 57.16 57.99 1ie5 n GLU 55 Cb 0.75 -2.35 0.29 0.00 1.43 0.00 0.00 31.44 31.56 1ie5 n GLU 55 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ie5 n GLN 56 N 7.54 0.29 0.00 3.44 1.13 -1.26 -1.07 117.38 127.45 1ie5 n GLN 56 Ca 0.38 0.01 0.11 0.00 -1.94 0.00 0.00 57.00 55.56 1ie5 n GLN 56 Cb 0.20 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.98 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 -1.02 0.13 0.00 -1.09 -0.58 -1.26 -4.84 120.64 111.99 1ie5 n GLU 57 Ca 0.07 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1ie5 n GLU 57 Cb 0.04 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 -1.67 0.00 -4.83 1.62 2.03 -1.00 -5.15 116.55 107.55 1ie5 n ASP 58 Ca 0.03 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.97 1ie5 n ASP 58 Cb 0.38 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.72 1ie5 n ASP 58 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1ie5 s ASN 59 N -0.60 6.93 0.00 1.67 3.84 -0.23 -4.96 114.94 121.58 1ie5 s ASN 59 Ca 0.00 1.18 0.00 0.00 0.21 0.00 0.00 52.86 54.25 1ie5 s ASN 59 Cb 0.00 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 1ie5 s ASN 59 CO 0.00 0.14 0.14 -0.62 -2.79 0.00 0.00 177.10 173.98 1ie5 n GLU 60 N 1.07 0.00 0.00 0.43 1.02 -1.26 -4.73 120.64 117.16 1ie5 n GLU 60 Ca -0.06 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1ie5 n GLU 60 Cb 0.51 -0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1ie5 n GLU 60 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ie5 n GLU 61 N 0.00 0.00 -2.69 3.49 0.00 -1.26 -1.86 120.64 118.31 1ie5 n GLU 61 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 1ie5 n GLU 61 Cb 0.43 0.00 0.11 0.00 0.00 0.00 0.00 31.44 31.97 1ie5 n GLU 61 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1ie5 n LYS 62 N -3.65 1.22 -3.44 5.31 2.85 -1.26 -5.12 118.16 114.06 1ie5 n LYS 62 Ca 0.00 -2.02 -0.11 0.00 -1.05 0.00 0.00 58.31 55.12 1ie5 n LYS 62 Cb 0.00 -0.22 -0.02 0.00 -0.65 0.00 0.00 35.03 34.14 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 -0.40 -0.51 -0.06 5.58 -0.85 -0.78 -0.86 117.35 119.47 1ie5 s TYR 63 Ca 0.22 0.31 -0.07 0.00 -0.52 0.00 0.00 57.07 57.00 1ie5 s TYR 63 Cb 0.41 0.56 0.02 0.00 0.38 0.00 0.00 41.96 43.33 1ie5 s TYR 63 CO -0.07 -0.80 0.19 -1.12 -1.52 0.00 0.00 175.55 172.23 1ie5 s SER 64 N -2.71 -0.18 0.29 -0.18 0.01 -0.10 -4.70 113.70 106.14 1ie5 s SER 64 Ca 0.02 0.32 -0.06 0.00 1.31 0.00 0.00 55.95 57.54 1ie5 s SER 64 Cb -0.01 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 1ie5 s SER 64 CO -0.12 -0.11 0.41 0.72 0.41 0.00 0.00 173.24 174.55 1ie5 s PHE 65 N -0.09 0.85 0.69 2.43 -0.12 -1.26 -1.13 117.98 119.34 1ie5 s PHE 65 Ca -0.02 -1.12 -0.03 0.00 -0.05 0.00 0.00 56.93 55.71 1ie5 s PHE 65 Cb -0.02 -0.08 0.14 0.00 -0.63 0.00 0.00 43.02 42.43 1ie5 s PHE 65 CO 0.00 -1.00 0.94 0.27 -0.05 0.00 0.00 175.22 175.39 1ie5 n ASN 66 N -0.86 0.94 0.05 1.98 0.23 -1.24 -5.02 115.26 111.34 1ie5 n ASN 66 Ca 0.00 -1.87 0.13 0.00 -0.53 0.00 0.00 54.58 52.32 1ie5 n ASN 66 Cb 0.62 -0.64 0.43 0.00 -2.08 0.00 0.00 39.78 38.12 1ie5 n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ie5 n TYR 67 N -2.88 0.48 0.67 -2.53 0.18 -1.26 -3.03 117.16 108.79 1ie5 n TYR 67 Ca 0.14 0.14 0.13 0.00 1.88 0.00 0.00 57.90 60.19 1ie5 n TYR 67 Cb 0.51 -0.69 0.38 0.00 -0.38 0.00 0.00 39.34 39.17 1ie5 n TYR 67 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1ie5 n ASP 68 N -1.91 0.70 -0.10 9.48 8.00 -1.26 -4.95 116.55 126.51 1ie5 n ASP 68 Ca 0.06 0.47 -0.01 0.00 0.71 0.00 0.00 54.79 56.01 1ie5 n ASP 68 Cb 0.39 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 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 1.34 0.51 0.07 0.44 0.00 -1.17 -4.59 105.19 101.80 1ie5 n GLY 69 Ca 0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 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 0.78 1.59 -4.56 1.61 3.41 -1.26 -4.81 113.62 110.37 1ie5 n SER 70 Ca -0.01 0.27 -0.36 0.00 -0.26 0.00 0.00 58.87 58.51 1ie5 n SER 70 Cb 0.07 -0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 63.29 1ie5 n SER 70 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ie5 s GLU 71 N -2.56 3.24 -0.63 4.33 2.02 -1.26 -3.39 118.70 120.45 1ie5 s GLU 71 Ca -0.24 -0.96 -0.24 0.00 0.02 0.00 0.00 54.97 53.55 1ie5 s GLU 71 Cb 0.03 -5.28 0.05 0.00 0.10 0.00 0.00 34.13 29.03 1ie5 s GLU 71 CO 0.35 -2.69 1.01 -1.17 0.02 0.00 0.00 175.26 172.78 1ie5 s LEU 72 N 6.87 4.05 -0.30 1.80 2.96 -0.18 -3.63 118.68 130.26 1ie5 s LEU 72 Ca 0.56 -0.62 -0.22 0.00 -0.22 0.00 0.00 54.13 53.63 1ie5 s LEU 72 Cb -0.02 -2.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 1ie5 s LEU 72 CO -0.04 -1.42 0.72 -0.63 -1.32 0.00 0.00 176.35 173.66 1ie5 s ILE 73 N 4.32 4.86 -0.05 6.68 1.01 -0.29 -2.02 121.20 135.71 1ie5 s ILE 73 Ca 0.28 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 62.00 1ie5 s ILE 73 Cb -0.13 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1ie5 s ILE 73 CO 0.15 -0.17 0.07 -0.63 0.00 0.00 0.00 174.94 174.36 1ie5 s ILE 74 N 2.79 4.78 0.25 2.92 1.01 0.63 -0.92 121.20 132.66 1ie5 s ILE 74 Ca 0.30 -0.23 0.11 0.00 0.00 0.00 0.00 60.65 60.82 1ie5 s ILE 74 Cb -0.15 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 1ie5 s ILE 74 CO 0.11 0.48 -0.16 -1.59 0.00 0.00 0.00 174.94 173.79 1ie5 s LYS 75 N -1.35 1.81 -1.49 2.79 -2.85 -0.04 -0.68 119.74 117.94 1ie5 s LYS 75 Ca 0.19 -1.60 -0.05 0.00 -1.00 0.00 0.00 55.97 53.51 1ie5 s LYS 75 Cb -0.12 -1.91 0.04 0.00 -2.06 0.00 0.00 37.83 33.79 1ie5 s LYS 75 CO 0.09 0.36 0.51 0.36 0.10 0.00 0.00 175.35 176.77 1ie5 n LYS 76 N -0.43 -3.24 -1.70 1.78 2.85 -0.73 -4.82 118.16 111.87 1ie5 n LYS 76 Ca -0.07 0.39 -0.41 0.00 -1.05 0.00 0.00 58.31 57.17 1ie5 n LYS 76 Cb 0.59 -4.66 0.02 0.00 -0.65 0.00 0.00 35.03 30.32 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 -4.42 2.69 -3.89 0.58 0.31 -0.22 -4.78 118.33 108.60 1ie5 n VAL 77 Ca -0.21 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.52 1ie5 n VAL 77 Cb 0.63 -1.56 0.01 0.00 -0.91 0.00 0.00 33.84 32.01 1ie5 n VAL 77 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ie5 s ASP 78 N -0.58 0.26 0.48 4.52 -1.08 -1.26 -3.78 116.67 115.22 1ie5 s ASP 78 Ca 0.62 -1.24 0.30 0.00 -0.52 0.00 0.00 52.55 51.71 1ie5 s ASP 78 Cb -0.50 0.80 1.38 0.00 -1.46 0.00 0.00 42.92 43.14 1ie5 s ASP 78 CO 0.57 -1.58 1.76 0.11 0.52 0.00 0.00 175.17 176.55 1ie5 h LYS 79 N 2.03 0.15 -0.00 4.34 1.57 -1.92 0.36 116.57 123.10 1ie5 h LYS 79 Ca -0.31 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1ie5 h LYS 79 Cb 1.25 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1ie5 h LYS 79 CO 0.40 0.10 -0.12 -1.13 -0.57 0.00 0.00 179.45 178.13 1ie5 n SER 80 N -4.40 0.33 -0.30 0.86 3.41 -1.26 -3.86 113.62 108.39 1ie5 n SER 80 Ca 0.28 -0.29 0.14 0.00 -0.26 0.00 0.00 58.87 58.73 1ie5 n SER 80 Cb 1.17 -0.14 0.47 0.00 -0.26 0.00 0.00 64.21 65.46 1ie5 n SER 80 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ie5 n ASP 81 N -1.16 1.09 -4.55 4.04 2.03 0.12 -4.92 116.55 113.20 1ie5 n ASP 81 Ca 0.12 -1.06 -0.48 0.00 0.52 0.00 0.00 54.79 53.89 1ie5 n ASP 81 Cb 0.29 0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 1ie5 n ASP 81 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ie5 n GLU 82 N -0.41 0.96 -3.47 -0.67 2.13 -1.25 -4.98 120.64 112.95 1ie5 n GLU 82 Ca 0.15 0.34 -0.12 0.00 0.66 0.00 0.00 57.16 58.20 1ie5 n GLU 82 Cb 0.34 -1.71 -0.02 0.00 0.27 0.00 0.00 31.44 30.32 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 -0.61 -1.52 -0.30 4.31 0.00 -1.16 -4.93 121.76 117.55 1ie5 s ALA 83 Ca 0.68 0.39 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1ie5 s ALA 83 Cb -0.84 0.87 0.09 0.00 0.00 0.00 0.00 23.12 23.25 1ie5 s ALA 83 CO 0.56 -0.78 0.04 -2.00 0.00 0.00 0.00 175.76 173.58 1ie5 s GLU 84 N -3.77 1.19 -1.02 0.00 2.12 -1.26 -1.02 118.70 114.95 1ie5 s GLU 84 Ca 0.02 -1.30 -0.20 0.00 0.36 0.00 0.00 54.97 53.84 1ie5 s GLU 84 Cb -0.01 -2.55 0.09 0.00 0.26 0.00 0.00 34.13 31.92 1ie5 s GLU 84 CO -0.12 -0.87 1.34 0.71 -0.54 0.00 0.00 175.26 175.79 1ie5 s TYR 85 N 1.33 2.84 -0.13 5.30 2.02 0.83 -1.87 117.35 127.68 1ie5 s TYR 85 Ca 0.06 -1.19 -0.29 0.00 -0.37 0.00 0.00 57.07 55.27 1ie5 s TYR 85 Cb -0.18 -4.52 -0.01 0.00 -0.40 0.00 0.00 41.96 36.85 1ie5 s TYR 85 CO -0.14 -1.72 1.03 0.42 -1.57 0.00 0.00 175.55 173.57 1ie5 s ILE 86 N 3.82 4.71 -0.05 2.71 1.09 -1.24 -1.91 121.20 130.32 1ie5 s ILE 86 Ca 0.41 2.00 0.04 0.00 -1.10 0.00 0.00 60.65 61.99 1ie5 s ILE 86 Cb -0.02 -4.29 0.00 0.00 -1.06 0.00 0.00 42.46 37.10 1ie5 s ILE 86 CO -0.08 -0.04 -0.16 0.00 -0.10 0.00 0.00 174.94 174.57 1ie5 s ILE 88 N 0.27 0.65 0.05 0.00 1.01 -0.43 -0.88 121.20 121.87 1ie5 s ILE 88 Ca -0.09 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1ie5 s ILE 88 Cb -0.13 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 1ie5 s ILE 88 CO 0.03 0.13 -0.10 0.00 0.00 0.00 0.00 174.94 175.00 1ie5 s ALA 89 N -0.31 0.77 -0.10 9.38 0.00 -0.12 -1.46 121.76 129.92 1ie5 s ALA 89 Ca 0.02 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 1ie5 s ALA 89 Cb -0.04 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1ie5 s ALA 89 CO -0.00 0.05 0.38 -2.00 0.00 0.00 0.00 175.76 174.19 1ie5 s GLU 90 N -1.55 0.56 0.21 0.00 2.12 -0.04 -0.66 118.70 119.34 1ie5 s GLU 90 Ca -0.07 0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.52 1ie5 s GLU 90 Cb -0.10 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.56 1ie5 s GLU 90 CO 0.01 -0.11 0.31 0.27 -0.54 0.00 0.00 175.26 175.20 1ie5 n ASN 91 N 2.24 -0.88 0.28 -1.70 0.23 -0.12 -0.56 115.26 114.75 1ie5 n ASN 91 Ca -0.16 -2.07 0.15 0.00 -0.53 0.00 0.00 54.58 51.97 1ie5 n ASN 91 Cb 0.57 1.61 0.83 0.00 -2.08 0.00 0.00 39.78 40.70 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 -2.96 116.57 107.84 1ie5 h LYS 92 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.49 1ie5 h LYS 92 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.93 1ie5 h LYS 92 CO 0.22 0.07 -1.03 0.00 -0.00 0.00 0.00 179.45 178.71 1ie5 n ALA 93 N -2.23 2.57 0.00 0.07 0.00 -1.26 -5.07 120.51 114.59 1ie5 n ALA 93 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1ie5 n ALA 93 Cb 0.20 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.19 -0.86 3.28 0.00 0.00 -1.12 -4.60 105.19 103.08 1ie5 n GLY 94 Ca -0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.62 0.68 0.17 1.61 2.12 -1.26 -0.94 118.70 120.45 1ie5 s GLU 95 Ca 0.00 -0.04 -0.17 0.00 0.36 0.00 0.00 54.97 55.11 1ie5 s GLU 95 Cb 0.00 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.73 1ie5 s GLU 95 CO 0.00 -0.18 0.48 -1.14 -0.54 0.00 0.00 175.26 173.88 1ie5 s GLN 96 N -1.11 1.26 0.04 4.30 2.00 0.17 -4.83 119.66 121.49 1ie5 s GLN 96 Ca -0.11 -0.77 -0.26 0.00 -2.00 0.00 0.00 55.36 52.21 1ie5 s GLN 96 Cb -0.04 0.51 0.06 0.00 0.80 0.00 0.00 33.01 34.34 1ie5 s GLN 96 CO 0.04 -0.52 0.60 0.16 -0.50 0.00 0.00 175.29 175.07 1ie5 s ASP 97 N -2.84 -0.55 0.31 6.67 -4.77 -1.26 -0.95 116.67 113.28 1ie5 s ASP 97 Ca 0.06 0.34 -0.01 0.00 -3.30 0.00 0.00 52.55 49.65 1ie5 s ASP 97 Cb 0.00 0.53 -0.01 0.00 -1.09 0.00 0.00 42.92 42.35 1ie5 s ASP 97 CO -0.07 -0.73 0.38 0.00 0.70 0.00 0.00 175.17 175.44 1ie5 s ALA 98 N -2.26 1.03 -0.05 2.11 0.00 -0.06 -4.81 121.76 117.72 1ie5 s ALA 98 Ca -0.06 -1.64 -0.06 0.00 0.00 0.00 0.00 51.96 50.20 1ie5 s ALA 98 Cb -0.01 1.26 0.01 0.00 0.00 0.00 0.00 23.12 24.39 1ie5 s ALA 98 CO 0.00 -0.74 0.16 0.99 0.00 0.00 0.00 175.76 176.17 1ie5 s THR 99 N -3.38 0.02 0.02 0.00 2.01 -1.26 -1.38 115.64 111.67 1ie5 s THR 99 Ca 0.34 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.22 1ie5 s THR 99 Cb 0.01 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 1ie5 s THR 99 CO 0.20 -0.07 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.39 1ie5 s ILE 100 N -0.19 0.24 -0.08 1.82 1.01 -0.80 -4.78 121.20 118.42 1ie5 s ILE 100 Ca -0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 1ie5 s ILE 100 Cb -0.02 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 1ie5 s ILE 100 CO 0.00 -0.33 -0.02 -1.00 0.00 0.00 0.00 174.94 173.60 1ie5 s HIS 101 N -1.08 3.10 -0.29 3.97 3.76 -0.45 -0.12 115.29 124.18 1ie5 s HIS 101 Ca -0.10 0.14 0.01 0.00 -0.15 0.00 0.00 55.06 54.97 1ie5 s HIS 101 Cb -0.08 -1.76 0.06 0.00 1.11 0.00 0.00 32.58 31.91 1ie5 s HIS 101 CO -0.00 0.43 -0.04 -1.17 -0.85 0.00 0.00 174.74 173.11 1ie5 s LEU 102 N -0.89 3.83 -0.99 0.89 2.96 -0.19 -0.63 118.68 123.66 1ie5 s LEU 102 Ca 0.13 -1.47 -0.13 0.00 -0.22 0.00 0.00 54.13 52.44 1ie5 s LEU 102 Cb -0.11 -1.63 0.21 0.00 0.50 0.00 0.00 46.19 45.16 1ie5 s LEU 102 CO 0.02 -0.25 1.03 -0.54 -1.32 0.00 0.00 176.35 175.30 1ie5 s LYS 103 N 1.13 3.85 -0.03 1.98 -0.14 -0.26 -2.97 119.74 123.30 1ie5 s LYS 103 Ca -0.05 -2.58 -0.30 0.00 -1.36 0.00 0.00 55.97 51.69 1ie5 s LYS 103 Cb -0.20 -4.65 -0.03 0.00 -1.68 0.00 0.00 37.83 31.27 1ie5 s LYS 103 CO -0.04 -1.43 1.00 0.08 -0.76 0.00 0.00 175.35 174.19 1ie5 s VAL 104 N 0.41 4.81 0.18 3.17 1.01 -1.26 -3.46 120.40 125.26 1ie5 s VAL 104 Ca 0.28 2.03 0.11 0.00 0.00 0.00 0.00 61.98 64.40 1ie5 s VAL 104 Cb -0.08 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1ie5 s VAL 104 CO -0.07 0.11 -0.24 0.72 0.00 0.00 0.00 175.10 175.62 1ie5 s PHE 105 N 1.33 2.24 -0.59 5.22 -0.12 -0.64 -4.95 117.98 120.46 1ie5 s PHE 105 Ca 0.51 -0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.02 1ie5 s PHE 105 Cb -0.21 -1.13 0.44 0.00 -0.63 0.00 0.00 43.02 41.50 1ie5 s PHE 105 CO 0.25 0.45 1.79 0.00 -0.05 0.00 0.00 175.22 177.66 1ie5 n ALA 106 N 0.39 5.99 -0.32 1.99 0.00 -1.26 -1.01 120.51 126.29 1ie5 n ALA 106 Ca -0.14 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.65 1ie5 n ALA 106 Cb 0.56 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13