#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 2.90 -0.14 1.61 -2.85 -1.26 -4.34 119.74 115.67 1ie5 s LYS 2 Ca 0.00 -1.11 -0.18 0.00 -1.00 0.00 0.00 55.97 53.68 1ie5 s LYS 2 Cb 0.00 -2.56 -0.25 0.00 -2.06 0.00 0.00 37.83 32.96 1ie5 s LYS 2 CO 0.00 0.29 0.47 0.22 0.10 0.00 0.00 175.35 176.43 1ie5 h ASP 3 N 1.38 0.25 0.00 0.03 3.58 -1.26 -3.46 116.42 116.93 1ie5 h ASP 3 Ca -0.47 -0.79 0.00 0.00 0.42 0.00 0.00 57.03 56.19 1ie5 h ASP 3 Cb 1.24 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1ie5 h ASP 3 CO 0.60 1.55 0.00 -0.38 -2.88 0.00 0.00 179.24 178.13 1ie5 n ILE 4 N -4.07 0.00 -2.06 2.25 2.08 -1.26 -4.98 119.36 111.31 1ie5 n ILE 4 Ca -0.26 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.01 1ie5 n ILE 4 Cb 0.82 -0.30 -0.04 0.00 -0.75 0.00 0.00 39.64 39.37 1ie5 n ILE 4 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1ie5 n GLN 5 N -2.96 0.00 -3.69 0.38 -0.06 -1.26 -5.12 117.38 104.67 1ie5 n GLN 5 Ca 0.00 -0.96 -0.14 0.00 -2.00 0.00 0.00 57.00 53.90 1ie5 n GLN 5 Cb 0.00 0.32 -0.08 0.00 -4.06 0.00 0.00 30.24 26.41 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1ie5 s VAL 6 N 0.00 0.03 -0.84 1.69 1.01 -1.26 -5.12 120.40 115.90 1ie5 s VAL 6 Ca 0.04 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 1ie5 s VAL 6 Cb 0.05 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.77 1ie5 s VAL 6 CO -0.02 -0.12 1.23 -0.63 0.00 0.00 0.00 175.10 175.56 1ie5 s ILE 7 N -0.82 4.10 -0.34 2.22 -1.09 -1.26 -0.88 121.20 123.12 1ie5 s ILE 7 Ca -0.09 -0.47 0.15 0.00 -2.23 0.00 0.00 60.65 58.01 1ie5 s ILE 7 Cb -0.03 -4.88 0.42 0.00 -1.58 0.00 0.00 42.46 36.39 1ie5 s ILE 7 CO 0.05 -1.73 0.95 0.52 -1.23 0.00 0.00 174.94 173.50 1ie5 n VAL 8 N 6.27 0.61 -2.76 2.92 0.31 -1.26 -4.95 118.33 119.47 1ie5 n VAL 8 Ca 0.14 -3.17 -0.40 0.00 -0.01 0.00 0.00 64.34 60.90 1ie5 n VAL 8 Cb 0.49 0.53 -0.06 0.00 -0.91 0.00 0.00 33.84 33.90 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 -2.71 7.58 -0.16 4.52 2.20 -1.26 -4.61 114.94 120.50 1ie5 s ASN 9 Ca 0.29 1.88 -0.00 0.00 -0.94 0.00 0.00 52.86 54.09 1ie5 s ASN 9 Cb 0.42 -2.59 0.04 0.00 -2.00 0.00 0.00 41.25 37.12 1ie5 s ASN 9 CO -0.00 0.10 -0.08 -0.69 -2.94 0.00 0.00 177.10 173.49 1ie5 s VAL 10 N -0.84 1.28 0.96 3.54 1.01 -0.15 -5.02 120.40 121.18 1ie5 s VAL 10 Ca 0.42 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1ie5 s VAL 10 Cb -0.25 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1ie5 s VAL 10 CO 0.31 0.24 0.46 -2.65 0.00 0.00 0.00 175.10 173.45 1ie5 n PRO 11 N 4.83 -0.42 -1.88 2.72 -0.02 -1.26 -2.45 135.00 136.52 1ie5 n PRO 11 Ca -0.13 -0.08 -0.38 0.00 -2.02 0.00 0.00 63.50 60.88 1ie5 n PRO 11 Cb 0.48 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.09 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 -3.73 3.38 -0.40 0.52 0.02 -1.26 -4.64 135.00 128.89 1ie5 s PRO 12 Ca 0.58 2.19 0.09 0.00 0.02 0.00 0.00 61.00 63.88 1ie5 s PRO 12 Cb -0.21 -2.38 0.43 0.00 0.02 0.00 0.00 34.50 32.37 1ie5 s PRO 12 CO 0.66 -0.98 1.07 0.43 -0.33 0.00 0.00 177.00 177.85 1ie5 n SER 13 N -0.73 3.76 -4.74 2.53 7.64 -0.15 -4.60 113.62 117.34 1ie5 n SER 13 Ca 0.09 -3.41 -0.41 0.00 1.01 0.00 0.00 58.87 56.14 1ie5 n SER 13 Cb 0.45 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 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 -4.80 3.04 0.35 0.44 0.11 -1.26 -4.43 120.40 113.85 1ie5 s VAL 14 Ca 0.42 0.87 0.03 0.00 -2.93 0.00 0.00 61.98 60.37 1ie5 s VAL 14 Cb 0.42 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 1ie5 s VAL 14 CO -0.11 0.13 0.11 -0.13 -3.33 0.00 0.00 175.10 171.77 1ie5 s ARG 15 N -0.23 1.74 -0.25 1.54 0.52 -1.15 -4.46 118.95 116.66 1ie5 s ARG 15 Ca 0.57 -2.01 -0.14 0.00 -0.52 0.00 0.00 55.73 53.62 1ie5 s ARG 15 Cb -0.38 -0.55 -0.04 0.00 0.52 0.00 0.00 34.95 34.50 1ie5 s ARG 15 CO 0.40 -0.38 0.34 0.00 0.02 0.00 0.00 175.30 175.69 1ie5 s ALA 16 N -3.36 3.56 0.26 2.13 0.00 -1.26 -1.37 121.76 121.72 1ie5 s ALA 16 Ca 0.31 -0.79 0.13 0.00 0.00 0.00 0.00 51.96 51.61 1ie5 s ALA 16 Cb 0.05 -2.64 0.49 0.00 0.00 0.00 0.00 23.12 21.02 1ie5 s ALA 16 CO 0.15 -0.54 1.67 -0.09 0.00 0.00 0.00 175.76 176.95 1ie5 h ARG 17 N 7.98 0.00 -5.17 0.00 2.43 -1.55 -3.45 114.38 114.62 1ie5 h ARG 17 Ca -0.33 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.20 1ie5 h ARG 17 Cb 1.16 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.58 1ie5 h ARG 17 CO 0.65 0.52 -0.52 -0.65 -1.51 0.00 0.00 179.97 178.46 1ie5 s GLN 18 N -3.68 2.09 -0.08 0.20 1.11 -1.26 -5.02 119.66 113.02 1ie5 s GLN 18 Ca -0.01 -2.31 -0.12 0.00 0.01 0.00 0.00 55.36 52.93 1ie5 s GLN 18 Cb 0.12 -1.23 -0.04 0.00 -1.01 0.00 0.00 33.01 30.85 1ie5 s GLN 18 CO 0.74 -0.38 -0.23 -1.13 0.01 0.00 0.00 175.29 174.30 1ie5 n SER 19 N -1.26 1.64 -3.65 5.90 3.41 -1.26 -4.74 113.62 113.65 1ie5 n SER 19 Ca -0.14 0.26 -0.21 0.00 -0.26 0.00 0.00 58.87 58.52 1ie5 n SER 19 Cb 0.66 -0.60 -0.17 0.00 -0.26 0.00 0.00 64.21 63.84 1ie5 n SER 19 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ie5 s THR 20 N -2.58 -0.12 0.42 6.66 2.01 -1.26 -1.85 115.64 118.92 1ie5 s THR 20 Ca -0.19 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1ie5 s THR 20 Cb 0.03 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 1ie5 s THR 20 CO 0.28 0.05 0.62 -0.04 -0.69 0.00 0.00 174.62 174.85 1ie5 s MET 21 N 2.18 3.13 0.08 4.92 1.00 0.27 -4.98 119.30 125.90 1ie5 s MET 21 Ca 0.04 -0.55 0.02 0.00 0.00 0.00 0.00 55.69 55.20 1ie5 s MET 21 Cb -0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 34.83 32.05 1ie5 s MET 21 CO -0.05 -0.17 -0.07 -0.80 0.00 0.00 0.00 175.02 173.93 1ie5 s ASN 22 N -4.19 1.10 -0.03 3.03 0.01 -1.26 -1.04 114.94 112.58 1ie5 s ASN 22 Ca 0.47 -0.85 -0.30 0.00 -0.71 0.00 0.00 52.86 51.47 1ie5 s ASN 22 Cb -0.10 0.07 0.07 0.00 0.41 0.00 0.00 41.25 41.70 1ie5 s ASN 22 CO 0.37 -0.36 0.68 0.00 -1.51 0.00 0.00 177.10 176.28 1ie5 s ALA 23 N -2.82 -1.75 -0.38 0.60 0.00 -0.95 -4.95 121.76 111.52 1ie5 s ALA 23 Ca 0.05 1.21 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 1ie5 s ALA 23 Cb -0.00 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1ie5 s ALA 23 CO -0.03 -0.42 0.25 0.99 0.00 0.00 0.00 175.76 176.55 1ie5 s THR 24 N -1.55 5.04 0.66 0.00 2.01 -1.26 -1.67 115.64 118.88 1ie5 s THR 24 Ca -0.09 -0.60 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 1ie5 s THR 24 Cb -0.00 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.76 1ie5 s THR 24 CO 0.06 -0.20 1.13 0.00 -0.69 0.00 0.00 174.62 174.93 1ie5 s ALA 25 N 1.65 2.43 -1.31 7.40 0.00 0.18 -4.12 121.76 127.99 1ie5 s ALA 25 Ca 0.04 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1ie5 s ALA 25 Cb -0.19 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1ie5 s ALA 25 CO 0.09 -1.33 0.00 -1.71 0.00 0.00 0.00 175.76 172.81 1ie5 n ASN 26 N -2.36 -4.45 -0.56 0.00 5.15 -0.37 -4.83 115.26 107.85 1ie5 n ASN 26 Ca 0.11 0.26 0.12 0.00 -0.60 0.00 0.00 54.58 54.48 1ie5 n ASN 26 Cb 0.52 -3.16 0.18 0.00 -0.53 0.00 0.00 39.78 36.79 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ie5 n LEU 27 N -1.50 1.98 -1.08 1.20 4.77 -1.26 -4.99 117.00 116.12 1ie5 n LEU 27 Ca -0.13 -0.67 -0.14 0.00 -0.03 0.00 0.00 56.01 55.04 1ie5 n LEU 27 Cb 0.45 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1ie5 n LEU 27 CO 0.19 0.35 -0.13 -1.20 -1.33 0.00 0.00 177.39 175.27 1ie5 n SER 28 N 0.21 -4.63 -4.60 -1.43 7.64 -1.26 -5.01 113.62 104.54 1ie5 n SER 28 Ca 0.12 0.32 -0.25 0.00 1.01 0.00 0.00 58.87 60.08 1ie5 n SER 28 Cb 0.46 -3.36 0.12 0.00 -1.01 0.00 0.00 64.21 60.41 1ie5 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ie5 s GLN 29 N -3.25 1.54 -0.10 1.43 0.00 -1.26 -4.41 119.66 113.61 1ie5 s GLN 29 Ca 0.00 -0.94 0.02 0.00 -0.00 0.00 0.00 55.36 54.44 1ie5 s GLN 29 Cb 0.00 -2.24 -0.02 0.00 0.00 0.00 0.00 33.01 30.75 1ie5 s GLN 29 CO 0.00 -1.59 -0.14 -1.12 0.00 0.00 0.00 175.29 172.44 1ie5 s SER 30 N -4.75 3.97 -0.09 12.60 0.01 -1.26 -0.87 113.70 123.32 1ie5 s SER 30 Ca 0.67 -0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.68 1ie5 s SER 30 Cb -0.05 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.88 1ie5 s SER 30 CO 0.46 0.24 -0.21 -0.69 0.41 0.00 0.00 173.24 173.45 1ie5 s VAL 31 N -0.07 1.81 -0.03 3.43 1.01 0.15 -4.96 120.40 121.74 1ie5 s VAL 31 Ca -0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1ie5 s VAL 31 Cb -0.14 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1ie5 s VAL 31 CO 0.04 0.50 0.04 -0.89 0.00 0.00 0.00 175.10 174.79 1ie5 s THR 32 N 0.45 4.46 0.24 3.92 2.01 -1.26 -0.70 115.64 124.76 1ie5 s THR 32 Ca -0.17 -0.42 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 1ie5 s THR 32 Cb -0.17 -2.98 0.03 0.00 0.01 0.00 0.00 72.50 69.38 1ie5 s THR 32 CO 0.07 0.43 0.64 -1.48 -0.69 0.00 0.00 174.62 173.59 1ie5 s LEU 33 N -1.46 -0.19 -0.03 4.42 0.05 -1.14 -5.03 118.68 115.30 1ie5 s LEU 33 Ca 0.19 -0.51 -0.29 0.00 0.05 0.00 0.00 54.13 53.57 1ie5 s LEU 33 Cb -0.12 2.50 0.09 0.00 -2.05 0.00 0.00 46.19 46.61 1ie5 s LEU 33 CO 0.10 -1.21 0.76 0.00 -0.55 0.00 0.00 176.35 175.45 1ie5 s ALA 34 N -3.89 -1.78 -0.38 1.48 0.00 -1.26 -1.34 121.76 114.58 1ie5 s ALA 34 Ca 0.10 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.27 1ie5 s ALA 34 Cb -0.04 0.04 0.11 0.00 0.00 0.00 0.00 23.12 23.23 1ie5 s ALA 34 CO 0.02 -0.46 0.13 0.00 0.00 0.00 0.00 175.76 175.46 1ie5 n ASP 36 N 4.39 3.53 -4.80 0.00 5.75 -0.47 -4.35 116.55 120.60 1ie5 n ASP 36 Ca 0.01 -2.75 -0.36 0.00 -0.01 0.00 0.00 54.79 51.68 1ie5 n ASP 36 Cb 0.41 -1.74 -0.06 0.00 -1.03 0.00 0.00 41.12 38.70 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 9.35 3.28 0.08 2.12 0.00 -1.26 -2.94 121.76 132.39 1ie5 s ALA 37 Ca 0.65 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.67 1ie5 s ALA 37 Cb 0.01 -3.00 0.08 0.00 0.00 0.00 0.00 23.12 20.21 1ie5 s ALA 37 CO 0.12 0.24 0.82 0.34 0.00 0.00 0.00 175.76 177.29 1ie5 s ASP 38 N -1.74 -0.37 0.00 0.00 2.15 -1.26 -4.85 116.67 110.59 1ie5 s ASP 38 Ca 0.49 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.36 1ie5 s ASP 38 Cb -0.16 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 42.93 1ie5 s ASP 38 CO 0.21 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 175.02 1ie5 n GLY 39 N -0.33 0.45 2.66 2.66 0.00 -1.26 -0.97 105.19 108.39 1ie5 n GLY 39 Ca -0.10 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 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 0.71 0.78 1.61 0.08 -1.03 -2.94 117.98 115.19 1ie5 s PHE 40 Ca 0.00 -0.79 -0.11 0.00 0.12 0.00 0.00 56.93 56.15 1ie5 s PHE 40 Cb 0.00 -0.98 0.06 0.00 -0.57 0.00 0.00 43.02 41.53 1ie5 s PHE 40 CO 0.00 -0.65 1.10 -1.25 -0.10 0.00 0.00 175.22 174.32 1ie5 s PRO 41 N 1.96 2.17 0.14 0.24 0.04 -1.26 -0.98 135.00 137.31 1ie5 s PRO 41 Ca 0.03 1.24 -0.33 0.00 0.04 0.00 0.00 61.00 61.98 1ie5 s PRO 41 Cb -0.17 -1.88 -0.17 0.00 0.04 0.00 0.00 34.50 32.32 1ie5 s PRO 41 CO -0.16 -1.71 0.92 -0.85 0.04 0.00 0.00 177.00 175.24 1ie5 n GLU 42 N -3.48 0.46 -2.34 4.56 0.28 -1.15 -4.87 120.64 114.10 1ie5 n GLU 42 Ca 0.10 0.16 -0.28 0.00 -0.16 0.00 0.00 57.16 56.98 1ie5 n GLU 42 Cb 0.53 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.92 1ie5 n GLU 42 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1ie5 s PRO 43 N -0.52 3.17 -0.19 3.44 0.04 -1.26 -4.95 135.00 134.74 1ie5 s PRO 43 Ca 0.75 0.20 -0.10 0.00 0.04 0.00 0.00 61.00 61.89 1ie5 s PRO 43 Cb -0.99 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 1ie5 s PRO 43 CO 0.55 -0.58 0.14 0.99 0.04 0.00 0.00 177.00 178.14 1ie5 s THR 44 N -2.99 5.42 0.02 1.26 2.01 0.33 -4.94 115.64 116.75 1ie5 s THR 44 Ca 0.53 0.21 -0.09 0.00 0.31 0.00 0.00 61.69 62.65 1ie5 s THR 44 Cb -0.11 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.94 1ie5 s THR 44 CO 0.47 0.46 0.17 0.00 -0.69 0.00 0.00 174.62 175.03 1ie5 s MET 45 N 0.18 0.60 0.21 4.92 0.23 -1.26 -0.64 119.30 123.55 1ie5 s MET 45 Ca 0.09 -0.51 -0.13 0.00 -1.03 0.00 0.00 55.69 54.11 1ie5 s MET 45 Cb -0.11 0.25 0.00 0.00 -1.53 0.00 0.00 34.83 33.44 1ie5 s MET 45 CO -0.01 -0.16 0.44 0.95 -2.03 0.00 0.00 175.02 174.21 1ie5 s THR 46 N -2.01 0.02 0.16 3.16 -4.23 -0.52 -4.93 115.64 107.29 1ie5 s THR 46 Ca -0.10 -1.25 -0.17 0.00 -1.18 0.00 0.00 61.69 58.99 1ie5 s THR 46 Cb -0.04 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 71.88 1ie5 s THR 46 CO -0.01 -0.11 0.47 -1.66 -0.54 0.00 0.00 174.62 172.78 1ie5 s TRP 47 N -3.97 -0.19 0.19 3.99 1.48 -1.26 -1.05 118.94 118.13 1ie5 s TRP 47 Ca 0.18 -0.12 0.09 0.00 -1.06 0.00 0.00 56.10 55.19 1ie5 s TRP 47 Cb 0.00 0.34 -0.04 0.00 -1.16 0.00 0.00 33.47 32.61 1ie5 s TRP 47 CO 0.04 -0.81 -0.19 0.95 -4.06 0.00 0.00 176.95 172.88 1ie5 s THR 48 N -3.83 1.95 -1.04 0.66 -4.23 -0.23 -0.56 115.64 108.36 1ie5 s THR 48 Ca 0.06 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1ie5 s THR 48 Cb 0.00 -1.95 0.31 0.00 1.34 0.00 0.00 72.50 72.20 1ie5 s THR 48 CO -0.08 -0.33 1.60 1.17 -0.54 0.00 0.00 174.62 176.44 1ie5 n LYS 49 N 0.11 4.83 -0.49 3.99 4.81 0.60 -3.26 118.16 128.75 1ie5 n LYS 49 Ca -0.12 -4.61 0.00 0.00 -0.87 0.00 0.00 58.31 52.71 1ie5 n LYS 49 Cb 0.58 -2.48 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 0.70 0.00 0.00 3.14 2.03 -0.40 -4.00 116.55 118.02 1ie5 n ASP 50 Ca 0.35 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1ie5 n ASP 50 Cb 0.30 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 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 -2.00 0.50 3.87 0.27 0.00 -1.26 -5.02 105.19 101.55 1ie5 n GLY 51 Ca 0.00 -0.04 -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 3.84 0.33 1.61 -1.05 -1.26 -4.97 118.70 117.21 1ie5 s GLU 52 Ca 0.00 0.40 -0.26 0.00 -0.15 0.00 0.00 54.97 54.97 1ie5 s GLU 52 Cb 0.00 -2.53 -0.10 0.00 -0.44 0.00 0.00 34.13 31.06 1ie5 s GLU 52 CO 0.00 0.19 0.95 -1.25 0.95 0.00 0.00 175.26 176.10 1ie5 s PRO 53 N -3.13 4.55 -0.44 -4.83 0.04 -1.26 -0.29 135.00 129.64 1ie5 s PRO 53 Ca 0.50 1.32 0.04 0.00 0.04 0.00 0.00 61.00 62.89 1ie5 s PRO 53 Cb -0.11 -2.75 0.45 0.00 0.04 0.00 0.00 34.50 32.13 1ie5 s PRO 53 CO 0.23 0.25 1.44 -0.89 0.04 0.00 0.00 177.00 178.06 1ie5 n ILE 54 N 0.46 2.84 -2.20 0.56 5.41 0.28 -4.84 119.36 121.86 1ie5 n ILE 54 Ca 0.02 -4.01 -0.42 0.00 1.00 0.00 0.00 62.75 59.34 1ie5 n ILE 54 Cb 0.50 -1.17 -0.03 0.00 -0.71 0.00 0.00 39.64 38.24 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 -3.68 4.30 0.00 0.38 -1.05 -1.26 -4.61 118.70 112.77 1ie5 s GLU 55 Ca 0.54 2.01 0.10 0.00 -0.15 0.00 0.00 54.97 57.47 1ie5 s GLU 55 Cb 0.43 -3.48 0.60 0.00 -0.44 0.00 0.00 34.13 31.24 1ie5 s GLU 55 CO -0.03 -0.53 1.02 1.04 0.95 0.00 0.00 175.26 177.71 1ie5 n GLN 56 N 4.93 0.38 0.00 -4.83 6.02 -1.26 -2.21 117.38 120.41 1ie5 n GLN 56 Ca 0.13 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.20 1ie5 n GLN 56 Cb 0.43 -1.41 -0.00 0.00 1.02 0.00 0.00 30.24 30.28 1ie5 n GLN 56 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ie5 n GLU 57 N -0.91 1.54 0.00 -1.09 1.02 -1.26 -4.76 120.64 115.18 1ie5 n GLU 57 Ca 0.07 -0.89 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1ie5 n GLU 57 Cb 0.03 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1ie5 n GLU 57 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ie5 n ASP 58 N -0.06 0.00 -1.19 1.62 2.03 -1.02 -4.94 116.55 112.99 1ie5 n ASP 58 Ca 0.08 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.47 1ie5 n ASP 58 Cb 0.38 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 41.07 1ie5 n ASP 58 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ie5 n ASN 59 N 0.00 4.27 -0.08 1.67 3.02 -0.94 -4.74 115.26 118.46 1ie5 n ASN 59 Ca 0.00 -2.70 0.00 0.00 -0.03 0.00 0.00 54.58 51.85 1ie5 n ASN 59 Cb 0.00 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1ie5 n ASN 59 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ie5 n GLU 60 N 0.24 0.60 0.16 3.52 2.13 -1.26 -4.41 120.64 121.63 1ie5 n GLU 60 Ca 0.22 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.23 1ie5 n GLU 60 Cb 0.87 -1.05 0.75 0.00 0.27 0.00 0.00 31.44 32.29 1ie5 n GLU 60 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ie5 h GLU 61 N 0.06 0.00 -0.29 5.31 5.08 -2.00 -3.12 114.58 119.62 1ie5 h GLU 61 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1ie5 h GLU 61 Cb 0.05 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.07 1ie5 h GLU 61 CO 0.00 0.00 -0.60 0.36 -1.00 0.00 0.00 179.01 177.77 1ie5 n LYS 62 N -3.46 1.18 -3.96 2.33 2.85 -1.26 -5.10 118.16 110.75 1ie5 n LYS 62 Ca 0.05 -2.24 -0.09 0.00 -1.05 0.00 0.00 58.31 54.98 1ie5 n LYS 62 Cb 0.56 -0.39 -0.04 0.00 -0.65 0.00 0.00 35.03 34.52 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 -0.77 0.26 0.13 5.58 -0.85 -1.18 -1.28 117.35 119.23 1ie5 s TYR 63 Ca 0.23 -0.65 -0.14 0.00 -0.52 0.00 0.00 57.07 55.99 1ie5 s TYR 63 Cb 0.42 0.35 0.02 0.00 0.38 0.00 0.00 41.96 43.13 1ie5 s TYR 63 CO -0.05 -1.10 0.36 -1.54 -1.52 0.00 0.00 175.55 171.70 1ie5 s SER 64 N -3.01 -0.15 0.25 -0.18 1.04 -1.04 -4.93 113.70 105.68 1ie5 s SER 64 Ca 0.20 -0.45 -0.09 0.00 0.48 0.00 0.00 55.95 56.09 1ie5 s SER 64 Cb -0.02 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1ie5 s SER 64 CO 0.09 -0.86 0.40 0.72 0.98 0.00 0.00 173.24 174.58 1ie5 s PHE 65 N -3.84 0.64 0.21 5.02 -0.12 -1.26 -1.23 117.98 117.40 1ie5 s PHE 65 Ca 0.05 -0.95 -0.01 0.00 -0.05 0.00 0.00 56.93 55.97 1ie5 s PHE 65 Cb 0.02 -0.02 0.04 0.00 -0.63 0.00 0.00 43.02 42.43 1ie5 s PHE 65 CO -0.10 -0.93 0.28 0.27 -0.05 0.00 0.00 175.22 174.69 1ie5 n ASN 66 N -0.50 0.33 0.16 1.98 0.23 -1.19 -4.99 115.26 111.29 1ie5 n ASN 66 Ca -0.00 -1.29 0.13 0.00 -0.53 0.00 0.00 54.58 52.88 1ie5 n ASN 66 Cb 0.63 -0.19 0.29 0.00 -2.08 0.00 0.00 39.78 38.43 1ie5 n ASN 66 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 1ie5 h TYR 67 N -0.52 0.00 0.00 -2.53 -0.00 -2.03 -3.05 116.97 108.83 1ie5 h TYR 67 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.64 1ie5 h TYR 67 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.06 1ie5 h TYR 67 CO 0.00 0.00 -0.46 -0.44 -0.00 0.00 0.00 178.16 177.26 1ie5 h ASP 68 N 0.00 0.00 0.00 0.10 3.32 -1.96 -3.48 116.42 114.40 1ie5 h ASP 68 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ie5 h ASP 68 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1ie5 h ASP 68 CO 0.00 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 1ie5 n GLY 69 N 1.29 0.63 0.10 2.75 0.00 -1.15 -4.79 105.19 104.01 1ie5 n GLY 69 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 0.26 -3.35 1.61 4.64 -1.85 -3.45 113.55 111.42 1ie5 h SER 70 Ca 0.00 -0.95 -0.58 0.00 -0.47 0.00 0.00 61.79 59.79 1ie5 h SER 70 Cb 0.08 -0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1ie5 h SER 70 CO 0.00 1.26 0.29 -1.61 -0.87 0.00 0.00 176.83 175.90 1ie5 s GLU 71 N -2.35 4.26 -0.20 4.77 2.02 -1.26 -1.94 118.70 124.00 1ie5 s GLU 71 Ca -0.17 0.86 0.01 0.00 0.02 0.00 0.00 54.97 55.70 1ie5 s GLU 71 Cb -0.00 -3.58 0.03 0.00 0.10 0.00 0.00 34.13 30.68 1ie5 s GLU 71 CO 0.76 -0.30 -0.16 -1.17 0.02 0.00 0.00 175.26 174.41 1ie5 s LEU 72 N 2.07 2.44 -0.34 1.80 2.96 -0.45 -3.17 118.68 123.98 1ie5 s LEU 72 Ca 0.34 -0.84 -0.13 0.00 -0.22 0.00 0.00 54.13 53.28 1ie5 s LEU 72 Cb -0.16 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 1ie5 s LEU 72 CO 0.11 -0.06 0.24 -0.63 -1.32 0.00 0.00 176.35 174.69 1ie5 s ILE 73 N 1.27 5.22 -0.31 6.68 1.01 -0.36 -2.88 121.20 131.82 1ie5 s ILE 73 Ca 0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 1ie5 s ILE 73 Cb -0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1ie5 s ILE 73 CO -0.10 -0.03 0.22 -0.63 0.00 0.00 0.00 174.94 174.40 1ie5 s ILE 74 N 1.71 5.29 0.32 2.92 -1.09 0.12 -2.50 121.20 127.96 1ie5 s ILE 74 Ca 0.06 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1ie5 s ILE 74 Cb -0.18 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1ie5 s ILE 74 CO 0.10 0.13 0.52 -1.59 -1.23 0.00 0.00 174.94 172.87 1ie5 s LYS 75 N 1.77 3.49 -1.11 2.79 -2.85 -0.40 -0.68 119.74 122.76 1ie5 s LYS 75 Ca 0.07 -0.34 -0.22 0.00 -1.00 0.00 0.00 55.97 54.47 1ie5 s LYS 75 Cb -0.17 -2.69 0.01 0.00 -2.06 0.00 0.00 37.83 32.92 1ie5 s LYS 75 CO 0.11 0.20 0.73 0.36 0.10 0.00 0.00 175.35 176.84 1ie5 n LYS 76 N -1.61 -0.91 -2.62 1.78 2.85 -0.05 -4.88 118.16 112.73 1ie5 n LYS 76 Ca -0.05 0.41 -0.38 0.00 -1.05 0.00 0.00 58.31 57.24 1ie5 n LYS 76 Cb 0.56 -3.40 -0.05 0.00 -0.65 0.00 0.00 35.03 31.49 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 -3.40 3.84 0.28 0.58 1.01 -1.25 -4.92 120.40 116.54 1ie5 s VAL 77 Ca 0.40 1.61 0.02 0.00 0.00 0.00 0.00 61.98 64.01 1ie5 s VAL 77 Cb -0.18 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1ie5 s VAL 77 CO 0.90 0.20 0.27 -0.62 0.00 0.00 0.00 175.10 175.86 1ie5 s ASP 78 N -1.35 0.92 0.61 3.32 -1.08 -1.26 -1.24 116.67 116.58 1ie5 s ASP 78 Ca 0.50 -1.53 0.29 0.00 -0.52 0.00 0.00 52.55 51.29 1ie5 s ASP 78 Cb -0.24 0.52 1.58 0.00 -1.46 0.00 0.00 42.92 43.32 1ie5 s ASP 78 CO 0.31 -1.03 1.97 0.11 0.52 0.00 0.00 175.17 177.05 1ie5 h LYS 79 N 2.30 0.00 0.00 4.34 1.57 -1.93 -0.95 116.57 121.91 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 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1ie5 h LYS 79 CO 0.42 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.17 1ie5 n SER 80 N -3.56 0.00 -0.28 0.86 3.41 -1.26 -3.60 113.62 109.19 1ie5 n SER 80 Ca 0.04 0.08 0.14 0.00 -0.26 0.00 0.00 58.87 58.87 1ie5 n SER 80 Cb 0.49 -0.36 0.56 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.36 0.95 -4.68 4.04 8.00 -0.36 -4.91 116.55 118.24 1ie5 n ASP 81 Ca 0.12 -1.06 -0.46 0.00 0.71 0.00 0.00 54.79 54.10 1ie5 n ASP 81 Cb 0.27 0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 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 -0.45 2.24 -3.44 -1.24 2.13 -1.24 -4.94 120.64 113.70 1ie5 n GLU 82 Ca 0.17 0.81 -0.12 0.00 0.66 0.00 0.00 57.16 58.68 1ie5 n GLU 82 Cb 0.31 -2.61 -0.02 0.00 0.27 0.00 0.00 31.44 29.38 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 1.75 -1.65 -0.33 4.31 0.00 -0.74 -5.01 121.76 120.09 1ie5 s ALA 83 Ca 0.82 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 53.44 1ie5 s ALA 83 Cb -0.66 0.71 0.07 0.00 0.00 0.00 0.00 23.12 23.25 1ie5 s ALA 83 CO 0.40 -0.71 0.04 -2.00 0.00 0.00 0.00 175.76 173.49 1ie5 s GLU 84 N -3.39 2.13 -1.23 0.00 2.12 -1.26 -0.71 118.70 116.37 1ie5 s GLU 84 Ca 0.01 -1.52 -0.15 0.00 0.36 0.00 0.00 54.97 53.67 1ie5 s GLU 84 Cb -0.01 -3.24 0.15 0.00 0.26 0.00 0.00 34.13 31.29 1ie5 s GLU 84 CO -0.10 -0.78 1.51 0.66 -0.54 0.00 0.00 175.26 176.02 1ie5 n TYR 85 N 4.52 4.88 -2.52 5.30 4.01 0.58 -1.27 117.16 132.66 1ie5 n TYR 85 Ca -0.08 -3.24 -0.42 0.00 -0.16 0.00 0.00 57.90 54.00 1ie5 n TYR 85 Cb 0.42 -2.29 -0.03 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 2.15 4.34 0.01 -0.72 1.01 -1.20 -0.84 121.20 125.94 1ie5 s ILE 86 Ca 0.45 1.67 0.04 0.00 0.00 0.00 0.00 60.65 62.81 1ie5 s ILE 86 Cb -0.01 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 1ie5 s ILE 86 CO 0.02 0.09 -0.11 0.00 0.00 0.00 0.00 174.94 174.94 1ie5 s ILE 88 N -0.57 0.53 0.07 0.00 1.09 -0.21 -0.93 121.20 121.17 1ie5 s ILE 88 Ca 0.01 -0.26 0.05 0.00 -1.10 0.00 0.00 60.65 59.36 1ie5 s ILE 88 Cb -0.06 -0.47 -0.03 0.00 -1.06 0.00 0.00 42.46 40.85 1ie5 s ILE 88 CO 0.00 0.16 -0.15 0.00 -0.10 0.00 0.00 174.94 174.86 1ie5 s ALA 89 N 0.04 1.21 -0.10 9.38 0.00 0.01 -1.44 121.76 130.85 1ie5 s ALA 89 Ca -0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 1ie5 s ALA 89 Cb -0.05 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1ie5 s ALA 89 CO -0.00 0.18 0.35 -2.00 0.00 0.00 0.00 175.76 174.29 1ie5 s GLU 90 N -1.66 0.48 0.00 0.00 2.12 0.19 -0.98 118.70 118.85 1ie5 s GLU 90 Ca -0.01 0.33 -0.00 0.00 0.36 0.00 0.00 54.97 55.65 1ie5 s GLU 90 Cb -0.10 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.52 1ie5 s GLU 90 CO 0.02 -0.08 0.00 0.27 -0.54 0.00 0.00 175.26 174.93 1ie5 n ASN 91 N 2.50 -0.00 0.17 -1.70 0.23 -0.32 -0.51 115.26 115.63 1ie5 n ASN 91 Ca -0.15 -1.00 0.13 0.00 -0.53 0.00 0.00 54.58 53.03 1ie5 n ASN 91 Cb 0.57 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.82 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 -3.17 116.57 107.63 1ie5 h LYS 92 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.50 1ie5 h LYS 92 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.20 1ie5 h LYS 92 CO 0.00 0.00 -2.07 0.00 -0.00 0.00 0.00 179.45 177.38 1ie5 n ALA 93 N -1.86 2.20 0.00 0.07 0.00 -1.26 -4.93 120.51 114.73 1ie5 n ALA 93 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1ie5 n ALA 93 Cb 0.25 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 1.59 -0.60 3.35 0.00 0.00 -1.20 -4.69 105.19 103.64 1ie5 n GLY 94 Ca -0.16 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.17 0.82 0.17 1.61 2.12 -1.26 -1.17 118.70 120.82 1ie5 s GLU 95 Ca 0.00 -0.01 -0.20 0.00 0.36 0.00 0.00 54.97 55.12 1ie5 s GLU 95 Cb 0.00 0.37 0.05 0.00 0.26 0.00 0.00 34.13 34.81 1ie5 s GLU 95 CO 0.00 -0.24 0.56 -1.14 -0.54 0.00 0.00 175.26 173.90 1ie5 s GLN 96 N -1.25 1.32 0.03 4.30 2.00 -0.15 -4.82 119.66 121.08 1ie5 s GLN 96 Ca -0.12 -0.65 -0.20 0.00 -2.00 0.00 0.00 55.36 52.39 1ie5 s GLN 96 Cb -0.03 0.56 0.04 0.00 0.80 0.00 0.00 33.01 34.38 1ie5 s GLN 96 CO 0.06 -0.57 0.46 0.16 -0.50 0.00 0.00 175.29 174.91 1ie5 s ASP 97 N -2.80 -0.36 0.21 6.67 -4.77 -1.26 -0.81 116.67 113.55 1ie5 s ASP 97 Ca 0.04 0.12 -0.01 0.00 -3.30 0.00 0.00 52.55 49.40 1ie5 s ASP 97 Cb -0.01 0.45 0.00 0.00 -1.09 0.00 0.00 42.92 42.27 1ie5 s ASP 97 CO -0.09 -0.66 0.30 0.00 0.70 0.00 0.00 175.17 175.41 1ie5 n ALA 98 N 0.56 -0.19 -3.69 2.11 0.00 -0.11 -4.82 120.51 114.37 1ie5 n ALA 98 Ca -0.19 -0.99 -0.10 0.00 0.00 0.00 0.00 53.44 52.16 1ie5 n ALA 98 Cb 0.59 0.80 -0.10 0.00 0.00 0.00 0.00 19.45 20.74 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 -2.67 -0.02 0.48 0.00 2.01 -1.26 -0.93 115.64 113.25 1ie5 s THR 99 Ca 0.18 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.32 1ie5 s THR 99 Cb -0.01 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.83 1ie5 s THR 99 CO 0.13 0.03 0.36 -0.63 -0.69 0.00 0.00 174.62 173.82 1ie5 s ILE 100 N 1.45 2.12 0.03 1.82 1.01 -0.02 -4.75 121.20 122.85 1ie5 s ILE 100 Ca -0.10 -1.47 -0.06 0.00 0.00 0.00 0.00 60.65 59.02 1ie5 s ILE 100 Cb -0.08 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1ie5 s ILE 100 CO -0.14 0.00 0.10 -2.28 0.00 0.00 0.00 174.94 172.62 1ie5 s HIS 101 N -2.64 0.16 -0.11 3.97 2.46 -0.77 -0.31 115.29 118.05 1ie5 s HIS 101 Ca 0.40 -0.41 -0.03 0.00 0.47 0.00 0.00 55.06 55.49 1ie5 s HIS 101 Cb -0.01 -0.12 0.05 0.00 -0.13 0.00 0.00 32.58 32.36 1ie5 s HIS 101 CO 0.24 -0.34 0.07 -1.17 -2.47 0.00 0.00 174.74 171.06 1ie5 s LEU 102 N -1.93 0.33 0.20 8.88 2.96 0.11 -0.56 118.68 128.67 1ie5 s LEU 102 Ca -0.08 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 53.44 1ie5 s LEU 102 Cb -0.03 -0.24 -0.07 0.00 0.50 0.00 0.00 46.19 46.36 1ie5 s LEU 102 CO -0.03 -0.29 0.52 -0.54 -1.32 0.00 0.00 176.35 174.69 1ie5 s LYS 103 N 2.12 3.80 -0.03 1.98 1.02 -0.20 -1.79 119.74 126.63 1ie5 s LYS 103 Ca 0.03 0.25 0.01 0.00 0.02 0.00 0.00 55.97 56.29 1ie5 s LYS 103 Cb -0.14 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1ie5 s LYS 103 CO -0.06 0.37 -0.05 0.08 -0.92 0.00 0.00 175.35 174.77 1ie5 s VAL 104 N -1.73 0.48 0.18 3.17 1.01 -1.26 -2.24 120.40 120.02 1ie5 s VAL 104 Ca 0.45 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1ie5 s VAL 104 Cb -0.12 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1ie5 s VAL 104 CO 0.21 0.19 -0.15 0.72 0.00 0.00 0.00 175.10 176.07 1ie5 s PHE 105 N 0.57 1.69 -0.37 5.22 -0.12 -0.67 -4.96 117.98 119.34 1ie5 s PHE 105 Ca -0.07 -0.55 0.05 0.00 -0.05 0.00 0.00 56.93 56.31 1ie5 s PHE 105 Cb -0.11 -0.81 0.45 0.00 -0.63 0.00 0.00 43.02 41.92 1ie5 s PHE 105 CO -0.00 0.32 1.32 0.00 -0.05 0.00 0.00 175.22 176.82 1ie5 n ALA 106 N -0.11 5.25 -0.58 1.99 0.00 -1.26 -0.65 120.51 125.15 1ie5 n ALA 106 Ca -0.10 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1ie5 n ALA 106 Cb 0.59 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13