#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 0.62 -0.25 1.61 -0.14 -1.26 -5.06 119.74 115.26 1ie5 s LYS 2 Ca 0.00 0.29 0.02 0.00 -1.36 0.00 0.00 55.97 54.93 1ie5 s LYS 2 Cb 0.00 0.29 0.38 0.00 -1.68 0.00 0.00 37.83 36.82 1ie5 s LYS 2 CO 0.00 -0.13 1.50 -3.47 -0.76 0.00 0.00 175.35 172.49 1ie5 n ASP 3 N 2.09 3.43 -4.79 2.83 2.03 -1.26 -4.85 116.55 116.03 1ie5 n ASP 3 Ca -0.17 -2.89 -0.36 0.00 0.52 0.00 0.00 54.79 51.90 1ie5 n ASP 3 Cb 0.57 -0.69 -0.03 0.00 -0.72 0.00 0.00 41.12 40.25 1ie5 n ASP 3 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1ie5 s ILE 4 N -1.85 3.67 -0.31 5.18 1.01 -1.26 -4.94 121.20 122.70 1ie5 s ILE 4 Ca 0.32 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.14 1ie5 s ILE 4 Cb 0.27 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1ie5 s ILE 4 CO 0.06 -0.10 0.73 0.00 0.00 0.00 0.00 174.94 175.64 1ie5 n GLN 5 N -0.50 0.87 -0.77 2.79 6.02 -1.26 -2.18 117.38 122.34 1ie5 n GLN 5 Ca 0.07 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.08 1ie5 n GLN 5 Cb 0.51 -1.18 0.03 0.00 1.02 0.00 0.00 30.24 30.61 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ie5 n VAL 6 N 0.41 0.26 -3.97 5.09 0.31 -1.26 -5.08 118.33 114.09 1ie5 n VAL 6 Ca 0.00 -0.64 -0.09 0.00 -0.01 0.00 0.00 64.34 63.60 1ie5 n VAL 6 Cb 0.37 0.56 -0.11 0.00 -0.91 0.00 0.00 33.84 33.74 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 -0.39 0.11 -0.11 2.52 1.01 -0.93 -5.15 121.20 118.26 1ie5 s ILE 7 Ca 0.15 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 1ie5 s ILE 7 Cb 0.16 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 1ie5 s ILE 7 CO -0.05 -0.52 0.70 -0.69 0.00 0.00 0.00 174.94 174.38 1ie5 s VAL 8 N -1.62 5.02 -0.62 2.92 1.01 -1.26 -4.83 120.40 121.02 1ie5 s VAL 8 Ca -0.14 1.41 -0.28 0.00 0.00 0.00 0.00 61.98 62.97 1ie5 s VAL 8 Cb -0.09 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1ie5 s VAL 8 CO -0.01 0.18 1.21 0.54 0.00 0.00 0.00 175.10 177.02 1ie5 s ASN 9 N 0.94 6.38 -0.11 3.32 6.03 -1.26 -4.96 114.94 125.28 1ie5 s ASN 9 Ca 0.35 -0.03 -0.29 0.00 -1.03 0.00 0.00 52.86 51.87 1ie5 s ASN 9 Cb -0.17 -2.55 -0.01 0.00 -3.03 0.00 0.00 41.25 35.48 1ie5 s ASN 9 CO 0.15 -1.56 1.00 -0.69 -2.03 0.00 0.00 177.10 173.97 1ie5 s VAL 10 N 5.11 4.79 1.11 3.54 1.01 -0.11 -4.81 120.40 131.05 1ie5 s VAL 10 Ca 0.41 2.02 -0.16 0.00 0.00 0.00 0.00 61.98 64.25 1ie5 s VAL 10 Cb -0.08 -4.30 0.16 0.00 0.00 0.00 0.00 36.38 32.16 1ie5 s VAL 10 CO 0.23 0.01 0.43 -2.65 0.00 0.00 0.00 175.10 173.12 1ie5 n PRO 11 N 4.99 -1.68 -2.96 2.72 -0.02 -1.26 -1.39 135.00 135.40 1ie5 n PRO 11 Ca 0.08 -0.46 -0.44 0.00 -2.02 0.00 0.00 63.50 60.66 1ie5 n PRO 11 Cb 0.49 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1ie5 n PRO 11 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ie5 n PRO 12 N -3.06 3.42 -1.41 0.52 -0.04 -1.26 -4.07 135.00 129.11 1ie5 n PRO 12 Ca 0.03 -3.92 -0.39 0.00 -0.04 0.00 0.00 63.50 59.18 1ie5 n PRO 12 Cb 0.58 -2.96 -0.02 0.00 -0.04 0.00 0.00 33.50 31.06 1ie5 n PRO 12 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ie5 n SER 13 N 5.07 5.70 -4.76 3.54 7.64 -0.09 -4.10 113.62 126.61 1ie5 n SER 13 Ca 0.35 -2.67 -0.39 0.00 1.01 0.00 0.00 58.87 57.18 1ie5 n SER 13 Cb 0.42 -1.51 0.01 0.00 -1.01 0.00 0.00 64.21 62.11 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 3.02 2.56 0.06 0.44 0.11 -1.26 -4.10 120.40 121.22 1ie5 s VAL 14 Ca 0.56 0.46 -0.11 0.00 -2.93 0.00 0.00 61.98 59.96 1ie5 s VAL 14 Cb 0.15 -3.25 0.01 0.00 -1.53 0.00 0.00 36.38 31.76 1ie5 s VAL 14 CO -0.05 0.03 0.25 0.00 -3.33 0.00 0.00 175.10 172.00 1ie5 s ARG 15 N -2.54 0.80 -0.24 1.54 1.70 -0.39 -4.51 118.95 115.32 1ie5 s ARG 15 Ca 0.62 -0.69 -0.24 0.00 -0.47 0.00 0.00 55.73 54.95 1ie5 s ARG 15 Cb -0.37 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.34 1ie5 s ARG 15 CO 0.46 -0.26 0.81 0.00 -1.08 0.00 0.00 175.30 175.24 1ie5 s ALA 16 N -3.03 3.65 0.22 7.88 0.00 -1.26 -0.93 121.76 128.29 1ie5 s ALA 16 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 1ie5 s ALA 16 Cb 0.01 -3.27 0.19 0.00 0.00 0.00 0.00 23.12 20.06 1ie5 s ALA 16 CO -0.06 -0.92 1.61 -0.09 0.00 0.00 0.00 175.76 176.30 1ie5 h ARG 17 N 7.69 0.69 0.00 0.00 2.43 -1.60 -3.38 114.38 120.22 1ie5 h ARG 17 Ca -0.23 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1ie5 h ARG 17 Cb 1.09 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1ie5 h ARG 17 CO 0.87 0.91 0.00 1.04 -1.51 0.00 0.00 179.97 181.27 1ie5 n GLN 18 N -4.08 2.24 0.00 0.20 6.02 -1.26 -5.07 117.38 115.44 1ie5 n GLN 18 Ca -0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1ie5 n GLN 18 Cb 0.47 -0.29 0.00 0.00 1.02 0.00 0.00 30.24 31.44 1ie5 n GLN 18 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ie5 n SER 19 N -0.33 0.00 -3.66 1.08 7.64 -1.26 -4.72 113.62 112.37 1ie5 n SER 19 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1ie5 n SER 19 Cb 0.03 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.00 -0.60 0.41 0.44 2.01 -1.26 -1.72 115.64 114.93 1ie5 s THR 20 Ca 0.00 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.16 1ie5 s THR 20 Cb 0.00 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1ie5 s THR 20 CO 0.00 0.03 0.34 -0.04 -0.69 0.00 0.00 174.62 174.27 1ie5 s MET 21 N 2.42 2.50 0.09 4.92 1.00 0.39 -4.94 119.30 125.68 1ie5 s MET 21 Ca -0.05 -1.56 -0.15 0.00 0.00 0.00 0.00 55.69 53.93 1ie5 s MET 21 Cb -0.11 -2.33 0.03 0.00 0.00 0.00 0.00 34.83 32.42 1ie5 s MET 21 CO -0.16 -0.16 0.36 0.54 0.00 0.00 0.00 175.02 175.60 1ie5 s ASN 22 N -4.09 -0.17 0.00 3.03 2.20 -1.26 -1.60 114.94 113.06 1ie5 s ASN 22 Ca 0.46 -0.29 -0.28 0.00 -0.94 0.00 0.00 52.86 51.81 1ie5 s ASN 22 Cb -0.02 0.43 0.09 0.00 -2.00 0.00 0.00 41.25 39.74 1ie5 s ASN 22 CO 0.27 -0.76 0.80 0.00 -2.94 0.00 0.00 177.10 174.47 1ie5 s ALA 23 N -3.38 -1.78 -0.30 3.54 0.00 -1.21 -4.97 121.76 113.67 1ie5 s ALA 23 Ca 0.01 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 1ie5 s ALA 23 Cb 0.01 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1ie5 s ALA 23 CO -0.09 -0.59 0.32 0.99 0.00 0.00 0.00 175.76 176.39 1ie5 s THR 24 N -2.62 5.21 0.55 0.00 2.01 -1.26 -1.78 115.64 117.76 1ie5 s THR 24 Ca 0.00 0.23 -0.15 0.00 0.31 0.00 0.00 61.69 62.08 1ie5 s THR 24 Cb -0.01 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 1ie5 s THR 24 CO -0.05 0.08 1.01 0.00 -0.69 0.00 0.00 174.62 174.97 1ie5 s ALA 25 N 1.95 3.01 0.00 7.40 0.00 0.52 -4.35 121.76 130.29 1ie5 s ALA 25 Ca 0.11 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1ie5 s ALA 25 Cb -0.16 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1ie5 s ALA 25 CO 0.11 -0.44 0.00 -1.71 0.00 0.00 0.00 175.76 173.71 1ie5 n ASN 26 N -1.92 -0.96 -0.71 0.00 2.85 -1.08 -4.76 115.26 108.67 1ie5 n ASN 26 Ca 0.07 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.64 1ie5 n ASN 26 Cb 0.54 -1.01 0.30 0.00 1.24 0.00 0.00 39.78 40.84 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 2.12 -1.76 1.20 4.77 -1.26 -4.93 117.00 117.14 1ie5 n LEU 27 Ca 0.00 -0.94 -0.17 0.00 -0.03 0.00 0.00 56.01 54.86 1ie5 n LEU 27 Cb 0.04 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1ie5 n LEU 27 CO 0.00 0.47 -0.20 -1.20 -1.33 0.00 0.00 177.39 175.13 1ie5 n SER 28 N 0.63 -5.05 -4.81 -1.43 7.64 -1.26 -5.00 113.62 104.33 1ie5 n SER 28 Ca 0.16 0.12 -0.29 0.00 1.01 0.00 0.00 58.87 59.87 1ie5 n SER 28 Cb 0.38 -4.12 0.13 0.00 -1.01 0.00 0.00 64.21 59.59 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 -4.42 1.32 0.10 1.43 2.00 -1.26 -4.21 119.66 114.61 1ie5 s GLN 29 Ca 0.00 0.25 0.05 0.00 -2.00 0.00 0.00 55.36 53.66 1ie5 s GLN 29 Cb 0.00 -1.86 -0.03 0.00 0.80 0.00 0.00 33.01 31.91 1ie5 s GLN 29 CO 0.00 -2.06 -0.12 -1.12 -0.50 0.00 0.00 175.29 171.49 1ie5 s SER 30 N -4.14 1.62 -0.07 6.67 0.01 -1.26 -0.95 113.70 115.57 1ie5 s SER 30 Ca 0.63 -0.76 -0.05 0.00 1.31 0.00 0.00 55.95 57.09 1ie5 s SER 30 Cb -0.14 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.09 1ie5 s SER 30 CO 0.52 -0.19 0.17 -0.69 0.41 0.00 0.00 173.24 173.47 1ie5 s VAL 31 N -2.05 -0.02 -0.06 3.43 1.01 0.25 -5.00 120.40 117.95 1ie5 s VAL 31 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1ie5 s VAL 31 Cb -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1ie5 s VAL 31 CO 0.01 0.03 -0.00 -0.89 0.00 0.00 0.00 175.10 174.25 1ie5 s THR 32 N 0.63 4.23 0.23 3.92 2.01 -1.26 -0.44 115.64 124.96 1ie5 s THR 32 Ca -0.05 -0.37 -0.20 0.00 0.31 0.00 0.00 61.69 61.39 1ie5 s THR 32 Cb -0.06 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.68 1ie5 s THR 32 CO -0.03 0.54 0.61 -1.48 -0.69 0.00 0.00 174.62 173.57 1ie5 s LEU 33 N -1.08 -0.17 -0.14 4.42 2.34 -0.61 -5.01 118.68 118.43 1ie5 s LEU 33 Ca 0.15 -0.47 -0.29 0.00 0.06 0.00 0.00 54.13 53.58 1ie5 s LEU 33 Cb -0.11 2.44 0.08 0.00 -0.56 0.00 0.00 46.19 48.04 1ie5 s LEU 33 CO 0.05 -1.16 0.75 0.00 -1.06 0.00 0.00 176.35 174.92 1ie5 s ALA 34 N -3.88 -1.80 -0.86 1.48 0.00 -1.26 -0.73 121.76 114.71 1ie5 s ALA 34 Ca 0.09 1.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.66 1ie5 s ALA 34 Cb -0.03 -0.53 0.22 0.00 0.00 0.00 0.00 23.12 22.78 1ie5 s ALA 34 CO -0.00 -0.35 0.77 0.00 0.00 0.00 0.00 175.76 176.19 1ie5 s ASP 36 N -0.63 6.96 0.17 0.00 -4.77 -0.10 -4.58 116.67 113.71 1ie5 s ASP 36 Ca 0.28 2.14 0.07 0.00 -3.30 0.00 0.00 52.55 51.75 1ie5 s ASP 36 Cb -0.04 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.17 1ie5 s ASP 36 CO -0.12 -0.56 -0.02 0.00 0.70 0.00 0.00 175.17 175.18 1ie5 s ALA 37 N 1.19 3.17 -0.08 2.11 0.00 -0.83 -1.27 121.76 126.06 1ie5 s ALA 37 Ca 0.61 -1.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.01 1ie5 s ALA 37 Cb -0.32 -0.97 0.05 0.00 0.00 0.00 0.00 23.12 21.87 1ie5 s ALA 37 CO 0.29 0.50 0.48 0.34 0.00 0.00 0.00 175.76 177.38 1ie5 s ASP 38 N -2.86 -0.44 0.00 0.00 2.15 -1.26 -4.03 116.67 110.24 1ie5 s ASP 38 Ca 0.27 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.82 1ie5 s ASP 38 Cb -0.09 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 1ie5 s ASP 38 CO 0.18 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 1ie5 n GLY 39 N 1.64 -0.40 3.56 2.66 0.00 -1.26 -0.92 105.19 110.47 1ie5 n GLY 39 Ca -0.18 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 1ie5 n GLY 39 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ie5 s PHE 40 N -2.00 -0.87 0.88 1.61 5.36 -0.48 -4.33 117.98 118.15 1ie5 s PHE 40 Ca 0.00 1.87 -0.11 0.00 -0.96 0.00 0.00 56.93 57.73 1ie5 s PHE 40 Cb 0.00 0.43 0.13 0.00 -0.34 0.00 0.00 43.02 43.24 1ie5 s PHE 40 CO 0.00 -0.43 1.16 -2.14 -1.46 0.00 0.00 175.22 172.35 1ie5 s PRO 41 N 1.08 1.19 0.13 10.12 0.02 -1.26 -0.94 135.00 145.34 1ie5 s PRO 41 Ca -0.06 1.61 -0.31 0.00 0.02 0.00 0.00 61.00 62.27 1ie5 s PRO 41 Cb -0.05 -1.74 -0.17 0.00 0.02 0.00 0.00 34.50 32.55 1ie5 s PRO 41 CO -0.11 -2.52 0.68 -0.85 -0.33 0.00 0.00 177.00 173.88 1ie5 n GLU 42 N -3.97 0.00 -2.76 5.54 0.00 -1.26 -4.65 120.64 113.53 1ie5 n GLU 42 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 57.04 1ie5 n GLU 42 Cb 0.52 -1.13 0.02 0.00 0.00 0.00 0.00 31.44 30.85 1ie5 n GLU 42 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1ie5 s PRO 43 N -0.65 3.08 0.09 3.44 0.04 -1.26 -4.83 135.00 134.91 1ie5 s PRO 43 Ca 0.70 -0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.55 1ie5 s PRO 43 Cb -1.01 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1ie5 s PRO 43 CO 0.54 -0.39 -0.03 0.99 0.04 0.00 0.00 177.00 178.16 1ie5 s THR 44 N -2.71 3.86 0.02 1.26 2.01 0.03 -4.99 115.64 115.11 1ie5 s THR 44 Ca 0.50 -1.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.17 1ie5 s THR 44 Cb -0.10 -2.83 0.07 0.00 0.01 0.00 0.00 72.50 69.65 1ie5 s THR 44 CO 0.41 0.12 0.63 0.00 -0.69 0.00 0.00 174.62 175.09 1ie5 s MET 45 N -2.27 1.11 0.21 4.92 0.23 -1.26 -0.70 119.30 121.53 1ie5 s MET 45 Ca 0.25 -0.01 -0.13 0.00 -1.03 0.00 0.00 55.69 54.77 1ie5 s MET 45 Cb -0.12 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.70 1ie5 s MET 45 CO 0.17 -0.39 0.44 0.95 -2.03 0.00 0.00 175.02 174.16 1ie5 s THR 46 N -2.04 0.03 0.22 3.16 -4.23 -0.76 -4.82 115.64 107.20 1ie5 s THR 46 Ca -0.07 -1.23 -0.17 0.00 -1.18 0.00 0.00 61.69 59.04 1ie5 s THR 46 Cb -0.00 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.92 1ie5 s THR 46 CO 0.02 -0.11 0.55 -1.66 -0.54 0.00 0.00 174.62 172.88 1ie5 s TRP 47 N -3.96 -0.03 0.04 3.99 1.48 -1.26 -1.26 118.94 117.93 1ie5 s TRP 47 Ca 0.17 -0.34 -0.00 0.00 -1.06 0.00 0.00 56.10 54.87 1ie5 s TRP 47 Cb 0.00 0.41 -0.03 0.00 -1.16 0.00 0.00 33.47 32.69 1ie5 s TRP 47 CO 0.03 -0.99 -0.03 0.95 -4.06 0.00 0.00 176.95 172.85 1ie5 s THR 48 N -3.91 0.23 -0.58 0.66 -4.23 -0.17 -0.48 115.64 107.17 1ie5 s THR 48 Ca 0.12 -1.55 -0.09 0.00 -1.18 0.00 0.00 61.69 59.00 1ie5 s THR 48 Cb -0.02 -1.16 0.15 0.00 1.34 0.00 0.00 72.50 72.81 1ie5 s THR 48 CO 0.02 -0.84 0.45 -1.59 -0.54 0.00 0.00 174.62 172.12 1ie5 s LYS 49 N -3.17 2.71 0.00 3.99 0.00 -0.27 -2.27 119.74 120.72 1ie5 s LYS 49 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 55.97 53.89 1ie5 s LYS 49 Cb 0.02 -3.97 0.00 0.00 0.00 0.00 0.00 37.83 33.88 1ie5 s LYS 49 CO -0.07 -1.21 0.00 -3.47 0.00 0.00 0.00 175.35 170.60 1ie5 n ASP 50 N 4.39 0.00 0.00 0.03 2.03 -0.18 -3.36 116.55 119.46 1ie5 n ASP 50 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ie5 n ASP 50 Cb 0.41 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 -0.21 0.00 3.83 0.27 0.00 -1.26 -5.04 105.19 102.78 1ie5 n GLY 51 Ca 0.00 0.00 -0.35 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 -0.01 4.10 0.44 1.61 -1.05 -1.21 -4.96 118.70 117.61 1ie5 s GLU 52 Ca 0.00 0.70 -0.21 0.00 -0.15 0.00 0.00 54.97 55.31 1ie5 s GLU 52 Cb 0.00 -2.74 -0.11 0.00 -0.44 0.00 0.00 34.13 30.84 1ie5 s GLU 52 CO 0.00 0.34 0.95 -1.25 0.95 0.00 0.00 175.26 176.25 1ie5 s PRO 53 N -2.32 4.21 -0.33 -4.83 0.04 -1.26 -1.11 135.00 129.39 1ie5 s PRO 53 Ca 0.46 1.11 0.06 0.00 0.04 0.00 0.00 61.00 62.67 1ie5 s PRO 53 Cb -0.14 -2.18 0.45 0.00 0.04 0.00 0.00 34.50 32.68 1ie5 s PRO 53 CO 0.20 -0.05 1.24 -0.89 0.04 0.00 0.00 177.00 177.53 1ie5 n ILE 54 N -0.72 2.58 -1.54 0.56 5.41 0.37 -4.86 119.36 121.17 1ie5 n ILE 54 Ca 0.07 -4.23 -0.29 0.00 1.00 0.00 0.00 62.75 59.30 1ie5 n ILE 54 Cb 0.54 -1.16 -0.09 0.00 -0.71 0.00 0.00 39.64 38.22 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 -0.69 0.57 0.00 0.38 0.28 -1.26 -4.57 120.64 115.34 1ie5 n GLU 55 Ca 0.45 -0.22 0.04 0.00 -0.16 0.00 0.00 57.16 57.26 1ie5 n GLU 55 Cb 0.91 -2.80 0.23 0.00 1.43 0.00 0.00 31.44 31.22 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 8.40 0.31 0.00 3.44 6.02 -1.26 -0.66 117.38 133.63 1ie5 n GLN 56 Ca 0.50 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.60 1ie5 n GLN 56 Cb 0.36 -1.39 0.13 0.00 1.02 0.00 0.00 30.24 30.36 1ie5 n GLN 56 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1ie5 n GLU 57 N -0.89 1.22 0.00 -1.09 0.28 -1.26 -4.79 120.64 114.11 1ie5 n GLU 57 Ca 0.06 -0.94 0.00 0.00 -0.16 0.00 0.00 57.16 56.12 1ie5 n GLU 57 Cb 0.03 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.42 1ie5 n GLU 57 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1ie5 n ASP 58 N -0.07 0.00 -4.83 -1.84 2.03 -0.86 -5.15 116.55 105.83 1ie5 n ASP 58 Ca 0.11 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.13 1ie5 n ASP 58 Cb 0.44 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.84 5.77 0.00 1.67 2.47 0.17 -5.02 114.94 119.17 1ie5 s ASN 59 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.30 1ie5 s ASN 59 Cb 0.00 -1.61 0.00 0.00 -1.45 0.00 0.00 41.25 38.19 1ie5 s ASN 59 CO 0.00 0.13 0.17 -0.62 -3.72 0.00 0.00 177.10 173.05 1ie5 n GLU 60 N 0.06 0.00 -0.00 0.43 1.02 -1.26 -4.51 120.64 116.38 1ie5 n GLU 60 Ca -0.08 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1ie5 n GLU 60 Cb 0.53 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 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 2.13 -1.26 -1.54 120.64 120.76 1ie5 n GLU 61 Ca 0.00 0.01 -0.07 0.00 0.66 0.00 0.00 57.16 57.76 1ie5 n GLU 61 Cb 0.49 -0.01 0.09 0.00 0.27 0.00 0.00 31.44 32.28 1ie5 n GLU 61 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1ie5 n LYS 62 N -4.01 1.22 -3.66 5.31 2.85 -1.26 -5.13 118.16 113.48 1ie5 n LYS 62 Ca 0.00 -2.21 -0.10 0.00 -1.05 0.00 0.00 58.31 54.96 1ie5 n LYS 62 Cb 0.00 -0.37 -0.03 0.00 -0.65 0.00 0.00 35.03 33.98 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 -0.82 -0.22 -0.08 5.58 -0.85 -0.59 -0.96 117.35 119.40 1ie5 s TYR 63 Ca 0.22 -0.09 -0.24 0.00 -0.52 0.00 0.00 57.07 56.44 1ie5 s TYR 63 Cb 0.42 0.43 0.05 0.00 0.38 0.00 0.00 41.96 43.24 1ie5 s TYR 63 CO -0.06 -0.90 0.55 -1.54 -1.52 0.00 0.00 175.55 172.08 1ie5 s SER 64 N -2.84 -0.51 0.36 -0.18 1.04 -0.51 -4.73 113.70 106.33 1ie5 s SER 64 Ca 0.07 0.63 -0.07 0.00 0.48 0.00 0.00 55.95 57.06 1ie5 s SER 64 Cb -0.01 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.76 1ie5 s SER 64 CO -0.06 -0.47 0.60 2.22 0.98 0.00 0.00 173.24 176.52 1ie5 n PHE 65 N 1.45 -1.80 -4.29 5.02 1.16 -1.26 -0.72 117.46 117.03 1ie5 n PHE 65 Ca -0.19 -2.14 -0.16 0.00 -1.87 0.00 0.00 57.45 53.09 1ie5 n PHE 65 Cb 0.56 0.69 -0.10 0.00 -1.61 0.00 0.00 39.48 39.02 1ie5 n PHE 65 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1ie5 s ASN 66 N -3.11 2.06 0.72 5.98 6.03 -1.24 -5.05 114.94 120.33 1ie5 s ASN 66 Ca 0.24 -1.03 -0.02 0.00 -1.03 0.00 0.00 52.86 51.02 1ie5 s ASN 66 Cb -0.02 -0.05 0.11 0.00 -3.03 0.00 0.00 41.25 38.26 1ie5 s ASN 66 CO 0.17 -0.29 0.99 -0.31 -2.03 0.00 0.00 177.10 175.64 1ie5 s TYR 67 N -3.21 1.88 -1.76 1.54 2.02 -1.26 -3.72 117.35 112.83 1ie5 s TYR 67 Ca 0.19 -0.13 -0.01 0.00 -0.37 0.00 0.00 57.07 56.76 1ie5 s TYR 67 Cb 0.02 -3.07 0.00 0.00 -0.40 0.00 0.00 41.96 38.50 1ie5 s TYR 67 CO 0.03 -1.65 0.09 -3.47 -1.57 0.00 0.00 175.55 168.98 1ie5 n ASP 68 N -2.85 -5.98 0.00 2.29 2.03 -1.26 -4.68 116.55 106.10 1ie5 n ASP 68 Ca 0.13 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1ie5 n ASP 68 Cb 0.60 -4.95 0.00 0.00 -0.72 0.00 0.00 41.12 36.05 1ie5 n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ie5 n GLY 69 N -1.10 -0.54 0.00 0.27 0.00 -1.26 -4.92 105.19 97.65 1ie5 n GLY 69 Ca -0.23 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.00 1.61 2.88 -1.24 -1.96 113.62 114.91 1ie5 n SER 70 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ie5 n SER 70 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ie5 n SER 70 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ie5 n GLU 71 N -0.19 0.00 -2.88 -1.46 4.71 -1.26 -4.37 120.64 115.19 1ie5 n GLU 71 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 1ie5 n GLU 71 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 1ie5 n GLU 71 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1ie5 s LEU 72 N 0.00 4.06 -0.34 -4.62 2.96 0.10 -3.68 118.68 117.16 1ie5 s LEU 72 Ca 0.00 0.55 -0.12 0.00 -0.22 0.00 0.00 54.13 54.34 1ie5 s LEU 72 Cb 0.00 -3.16 -0.01 0.00 0.50 0.00 0.00 46.19 43.52 1ie5 s LEU 72 CO 0.00 -0.76 0.22 -0.63 -1.32 0.00 0.00 176.35 173.86 1ie5 s ILE 73 N 3.25 5.09 -0.24 6.68 1.01 0.10 -1.57 121.20 135.51 1ie5 s ILE 73 Ca 0.35 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.58 1ie5 s ILE 73 Cb -0.13 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1ie5 s ILE 73 CO 0.16 -0.03 0.11 -0.63 0.00 0.00 0.00 174.94 174.56 1ie5 s ILE 74 N 1.69 4.81 0.22 2.92 1.01 0.42 -1.43 121.20 130.85 1ie5 s ILE 74 Ca 0.05 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.75 1ie5 s ILE 74 Cb -0.18 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1ie5 s ILE 74 CO 0.09 0.34 0.24 -1.59 0.00 0.00 0.00 174.94 174.03 1ie5 s LYS 75 N 1.32 3.12 -0.91 2.79 -2.85 -0.14 -0.59 119.74 122.48 1ie5 s LYS 75 Ca 0.06 -0.89 -0.01 0.00 -1.00 0.00 0.00 55.97 54.12 1ie5 s LYS 75 Cb -0.15 -2.71 -0.02 0.00 -2.06 0.00 0.00 37.83 32.90 1ie5 s LYS 75 CO 0.05 0.44 0.77 1.17 0.10 0.00 0.00 175.35 177.88 1ie5 n LYS 76 N -1.04 -4.27 -2.56 1.78 4.81 -0.49 -4.81 118.16 111.58 1ie5 n LYS 76 Ca -0.08 0.67 -0.39 0.00 -0.87 0.00 0.00 58.31 57.64 1ie5 n LYS 76 Cb 0.57 -5.09 -0.05 0.00 0.02 0.00 0.00 35.03 30.48 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1ie5 s VAL 77 N -3.29 3.69 0.34 3.15 1.01 -0.13 -4.88 120.40 120.28 1ie5 s VAL 77 Ca 0.10 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.68 1ie5 s VAL 77 Cb -0.01 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1ie5 s VAL 77 CO 0.58 0.28 0.40 -0.67 0.00 0.00 0.00 175.10 175.69 1ie5 n ASP 78 N 0.89 -1.09 0.24 3.32 -0.08 -1.26 -2.64 116.55 115.93 1ie5 n ASP 78 Ca 0.00 -3.01 0.17 0.00 -1.51 0.00 0.00 54.79 50.44 1ie5 n ASP 78 Cb 0.47 2.17 0.82 0.00 2.34 0.00 0.00 41.12 46.92 1ie5 n ASP 78 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1ie5 h LYS 79 N 0.00 0.00 0.00 -0.67 1.57 -1.93 -1.12 116.57 114.42 1ie5 h LYS 79 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1ie5 h LYS 79 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1ie5 h LYS 79 CO 0.36 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.11 1ie5 n SER 80 N -2.69 0.00 -0.50 0.86 3.41 -1.26 -2.69 113.62 110.75 1ie5 n SER 80 Ca -0.01 0.46 0.13 0.00 -0.26 0.00 0.00 58.87 59.19 1ie5 n SER 80 Cb 0.12 -0.48 0.48 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.48 1.55 -4.71 4.04 8.00 -0.42 -4.90 116.55 118.61 1ie5 n ASP 81 Ca 0.05 -1.56 -0.43 0.00 0.71 0.00 0.00 54.79 53.56 1ie5 n ASP 81 Cb 0.20 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.22 2.68 -3.49 -1.24 2.13 -1.10 -4.88 120.64 114.96 1ie5 n GLU 82 Ca 0.18 0.96 -0.15 0.00 0.66 0.00 0.00 57.16 58.82 1ie5 n GLU 82 Cb 0.35 -2.79 -0.04 0.00 0.27 0.00 0.00 31.44 29.22 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 0.98 -1.63 -0.52 4.31 0.00 -1.13 -5.00 121.76 118.77 1ie5 s ALA 83 Ca 0.74 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 53.52 1ie5 s ALA 83 Cb -0.53 0.43 0.14 0.00 0.00 0.00 0.00 23.12 23.16 1ie5 s ALA 83 CO 0.35 -0.56 0.34 -2.00 0.00 0.00 0.00 175.76 173.89 1ie5 s GLU 84 N -2.45 2.35 -1.34 0.00 2.12 -1.26 -1.69 118.70 116.43 1ie5 s GLU 84 Ca -0.05 -2.13 -0.16 0.00 0.36 0.00 0.00 54.97 52.99 1ie5 s GLU 84 Cb -0.01 -3.72 0.07 0.00 0.26 0.00 0.00 34.13 30.74 1ie5 s GLU 84 CO -0.01 -1.14 1.86 0.66 -0.54 0.00 0.00 175.26 176.09 1ie5 n TYR 85 N 4.16 4.31 -2.82 5.30 4.01 0.39 -1.01 117.16 131.50 1ie5 n TYR 85 Ca 0.02 -2.92 -0.41 0.00 -0.16 0.00 0.00 57.90 54.43 1ie5 n TYR 85 Cb 0.40 -2.56 -0.04 0.00 -0.31 0.00 0.00 39.34 36.84 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 3.59 4.85 0.00 -0.72 1.01 -0.96 -1.09 121.20 127.89 1ie5 s ILE 86 Ca 0.51 1.88 0.01 0.00 0.00 0.00 0.00 60.65 63.04 1ie5 s ILE 86 Cb 0.07 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 1ie5 s ILE 86 CO 0.02 0.22 -0.03 0.00 0.00 0.00 0.00 174.94 175.16 1ie5 s ILE 88 N -0.31 0.89 0.09 0.00 1.01 -0.39 -1.31 121.20 121.18 1ie5 s ILE 88 Ca -0.02 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1ie5 s ILE 88 Cb -0.03 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 1ie5 s ILE 88 CO -0.00 0.17 -0.13 0.00 0.00 0.00 0.00 174.94 174.98 1ie5 s ALA 89 N -0.40 1.25 -0.08 9.38 0.00 -0.10 -1.83 121.76 129.98 1ie5 s ALA 89 Ca 0.03 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 1ie5 s ALA 89 Cb -0.05 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1ie5 s ALA 89 CO -0.00 0.09 0.30 -2.00 0.00 0.00 0.00 175.76 174.15 1ie5 s GLU 90 N -2.33 0.46 0.00 0.00 2.12 0.12 -1.07 118.70 118.00 1ie5 s GLU 90 Ca 0.03 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.57 1ie5 s GLU 90 Cb -0.06 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1ie5 s GLU 90 CO 0.02 -0.09 0.00 0.27 -0.54 0.00 0.00 175.26 174.92 1ie5 n ASN 91 N 2.36 0.00 0.12 -1.70 6.94 -0.27 -0.79 115.26 121.92 1ie5 n ASN 91 Ca -0.16 -0.55 0.13 0.00 -0.02 0.00 0.00 54.58 53.97 1ie5 n ASN 91 Cb 0.57 0.00 0.45 0.00 -2.36 0.00 0.00 39.78 38.44 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 0.23 -0.03 -3.83 0.00 -1.26 -3.44 118.16 109.84 1ie5 n LYS 92 Ca 0.00 0.32 0.04 0.00 -0.00 0.00 0.00 58.31 58.67 1ie5 n LYS 92 Cb 0.00 -1.85 -0.12 0.00 -0.00 0.00 0.00 35.03 33.06 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 2.32 0.00 0.58 0.00 -1.26 -5.08 120.51 115.29 1ie5 n ALA 93 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1ie5 n ALA 93 Cb 0.33 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 1.73 -0.60 3.53 0.00 0.00 -1.22 -4.68 105.19 103.95 1ie5 n GLY 94 Ca -0.09 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.25 0.94 0.28 1.61 2.12 -1.26 -1.12 118.70 121.02 1ie5 s GLU 95 Ca 0.00 0.50 -0.20 0.00 0.36 0.00 0.00 54.97 55.62 1ie5 s GLU 95 Cb 0.00 0.45 0.04 0.00 0.26 0.00 0.00 34.13 34.88 1ie5 s GLU 95 CO 0.00 -0.23 0.80 -1.14 -0.54 0.00 0.00 175.26 174.14 1ie5 s GLN 96 N -0.61 1.79 0.07 4.30 2.00 -0.23 -4.85 119.66 122.12 1ie5 s GLN 96 Ca -0.07 -1.05 -0.18 0.00 -2.00 0.00 0.00 55.36 52.06 1ie5 s GLN 96 Cb -0.02 0.57 0.04 0.00 0.80 0.00 0.00 33.01 34.40 1ie5 s GLN 96 CO 0.06 -0.83 0.43 0.16 -0.50 0.00 0.00 175.29 174.62 1ie5 s ASP 97 N -2.99 -0.30 0.35 6.67 -4.77 -1.26 -0.92 116.67 113.43 1ie5 s ASP 97 Ca 0.13 -0.05 0.05 0.00 -3.30 0.00 0.00 52.55 49.38 1ie5 s ASP 97 Cb -0.05 0.45 -0.02 0.00 -1.09 0.00 0.00 42.92 42.21 1ie5 s ASP 97 CO 0.07 -0.73 0.35 0.00 0.70 0.00 0.00 175.17 175.57 1ie5 s ALA 98 N -2.83 1.58 -0.13 2.11 0.00 -0.42 -4.84 121.76 117.23 1ie5 s ALA 98 Ca -0.03 -1.94 -0.06 0.00 0.00 0.00 0.00 51.96 49.94 1ie5 s ALA 98 Cb -0.00 1.38 0.06 0.00 0.00 0.00 0.00 23.12 24.56 1ie5 s ALA 98 CO -0.05 -0.71 0.29 0.99 0.00 0.00 0.00 175.76 176.28 1ie5 s THR 99 N -3.24 -0.25 0.50 0.00 2.01 -1.26 -1.17 115.64 112.24 1ie5 s THR 99 Ca 0.38 0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.66 1ie5 s THR 99 Cb 0.01 -0.46 0.04 0.00 0.01 0.00 0.00 72.50 72.10 1ie5 s THR 99 CO 0.27 0.08 0.61 -0.63 -0.69 0.00 0.00 174.62 174.26 1ie5 s ILE 100 N 1.88 2.42 0.10 1.82 1.01 -0.25 -4.77 121.20 123.41 1ie5 s ILE 100 Ca -0.04 -1.11 -0.01 0.00 0.00 0.00 0.00 60.65 59.48 1ie5 s ILE 100 Cb -0.11 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1ie5 s ILE 100 CO -0.09 0.00 0.03 -1.00 0.00 0.00 0.00 174.94 173.87 1ie5 s HIS 101 N -2.56 0.73 -0.24 3.97 3.76 -0.70 -0.46 115.29 119.79 1ie5 s HIS 101 Ca 0.54 -1.17 -0.02 0.00 -0.15 0.00 0.00 55.06 54.26 1ie5 s HIS 101 Cb -0.06 -0.44 0.12 0.00 1.11 0.00 0.00 32.58 33.31 1ie5 s HIS 101 CO 0.33 -0.47 0.32 -1.17 -0.85 0.00 0.00 174.74 172.90 1ie5 s LEU 102 N -3.00 -0.42 -0.50 0.89 2.96 -0.68 -0.47 118.68 117.47 1ie5 s LEU 102 Ca 0.17 -0.14 -0.19 0.00 -0.22 0.00 0.00 54.13 53.76 1ie5 s LEU 102 Cb 0.08 0.78 0.06 0.00 0.50 0.00 0.00 46.19 47.61 1ie5 s LEU 102 CO -0.03 -0.33 0.59 -0.54 -1.32 0.00 0.00 176.35 174.72 1ie5 s LYS 103 N 2.45 3.11 -0.10 1.98 -0.14 -0.63 -2.86 119.74 123.55 1ie5 s LYS 103 Ca 0.10 -0.93 -0.10 0.00 -1.36 0.00 0.00 55.97 53.68 1ie5 s LYS 103 Cb -0.15 -4.09 -0.05 0.00 -1.68 0.00 0.00 37.83 31.86 1ie5 s LYS 103 CO -0.19 -1.17 0.24 0.08 -0.76 0.00 0.00 175.35 173.55 1ie5 s VAL 104 N 2.48 5.33 0.24 3.17 1.01 -1.26 -3.31 120.40 128.06 1ie5 s VAL 104 Ca 0.14 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1ie5 s VAL 104 Cb -0.20 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1ie5 s VAL 104 CO 0.11 0.56 -0.01 0.72 0.00 0.00 0.00 175.10 176.49 1ie5 s PHE 105 N -0.72 1.60 -0.32 5.22 -0.12 -0.73 -4.98 117.98 117.93 1ie5 s PHE 105 Ca 0.17 -0.89 0.08 0.00 -0.05 0.00 0.00 56.93 56.23 1ie5 s PHE 105 Cb -0.13 -0.93 0.52 0.00 -0.63 0.00 0.00 43.02 41.85 1ie5 s PHE 105 CO 0.06 -0.00 1.52 0.00 -0.05 0.00 0.00 175.22 176.75 1ie5 n ALA 106 N -0.43 4.58 -0.44 1.99 0.00 -1.26 -0.36 120.51 124.59 1ie5 n ALA 106 Ca -0.05 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.21 1ie5 n ALA 106 Cb 0.64 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13