#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n LEU 4 N 0.00 0.00 0.00 2.89 4.77 -1.26 -1.77 117.00 121.63 2hgj n LEU 4 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2hgj n LEU 4 Cb 0.00 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2hgj n LEU 4 CO 0.00 -0.08 0.00 0.41 -1.33 0.00 0.00 177.39 176.39 2hgj n THR 5 N -1.43 0.00 0.52 -5.08 -1.04 -1.26 -0.96 114.28 105.04 2hgj n THR 5 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 2hgj n THR 5 Cb 0.00 0.00 0.44 0.00 -1.82 0.00 0.00 70.33 68.95 2hgj n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgj n ALA 6 N -0.94 1.84 0.23 2.41 0.00 -1.26 -1.08 120.51 121.71 2hgj n ALA 6 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 2hgj n ALA 6 Cb 0.00 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 2hgj n ALA 6 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2hgj h TYR 7 N 0.00 -0.51 0.39 0.00 -0.00 -1.38 -0.53 116.97 114.95 2hgj h TYR 7 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.71 2hgj h TYR 7 Cb 0.42 0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 37.30 2hgj h TYR 7 CO 0.00 -0.25 -0.36 0.93 -0.00 0.00 0.00 178.16 178.48 2hgj h GLU 8 N -0.67 -0.71 0.00 1.82 5.08 -0.83 -0.90 114.58 118.36 2hgj h GLU 8 Ca -0.06 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2hgj h GLU 8 Cb 0.49 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2hgj h GLU 8 CO 0.09 -0.47 0.00 -2.13 -1.00 0.00 0.00 179.01 175.50 2hgj n ARG 9 N -4.57 0.00 -0.06 2.33 3.00 -0.24 0.53 116.66 117.65 2hgj n ARG 9 Ca -0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.63 2hgj n ARG 9 Cb 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.72 2hgj n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgj h ARG 10 N 0.00 -0.45 -0.73 -0.14 2.47 -0.79 0.55 114.38 115.29 2hgj h ARG 10 Ca 0.00 0.03 0.21 0.00 -1.26 0.00 0.00 59.98 58.96 2hgj h ARG 10 Cb 0.00 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 2hgj h ARG 10 CO 0.00 -0.30 0.72 0.87 0.56 0.00 0.00 179.97 181.82 2hgj h LYS 11 N -0.46 0.00 0.36 0.04 1.57 1.45 0.54 116.57 120.07 2hgj h LYS 11 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2hgj h LYS 11 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2hgj h LYS 11 CO -0.49 0.00 -0.17 0.27 -0.57 0.00 0.00 179.45 178.49 2hgj h PHE 12 N 0.00 -0.45 -0.52 -1.35 -5.15 0.32 0.13 116.94 109.92 2hgj h PHE 12 Ca 0.35 -0.01 0.09 0.00 -0.20 0.00 0.00 57.97 58.19 2hgj h PHE 12 Cb 1.78 0.15 -0.07 0.00 0.22 0.00 0.00 35.95 38.02 2hgj h PHE 12 CO 0.00 -0.13 0.12 -0.09 -2.00 0.00 0.00 178.31 176.22 2hgj h ARG 13 N -0.97 0.26 0.00 6.09 2.43 -0.49 -1.39 114.38 120.30 2hgj h ARG 13 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2hgj h ARG 13 Cb 0.52 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2hgj h ARG 13 CO 0.08 0.17 0.00 0.28 -1.51 0.00 0.00 179.97 178.99 2hgj n VAL 14 N -5.09 0.00 -0.36 0.20 0.31 0.04 0.52 118.33 113.95 2hgj n VAL 14 Ca 0.06 0.66 0.30 0.00 -0.01 0.00 0.00 64.34 65.35 2hgj n VAL 14 Cb 0.25 -1.02 0.61 0.00 -0.91 0.00 0.00 33.84 32.76 2hgj n VAL 14 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2hgj h ARG 15 N 0.00 0.21 0.02 5.55 2.47 -0.43 0.93 114.38 123.13 2hgj h ARG 15 Ca 0.00 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2hgj h ARG 15 Cb 0.00 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 2hgj h ARG 15 CO 0.00 0.14 -0.12 -0.97 0.56 0.00 0.00 179.97 179.58 2hgj h ASN 16 N 0.22 -0.35 0.00 7.04 -0.73 0.12 0.02 115.58 121.89 2hgj h ASN 16 Ca 0.65 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.87 2hgj h ASN 16 Cb 2.01 0.15 0.00 0.00 0.27 0.00 0.00 38.32 40.74 2hgj h ASN 16 CO -0.25 -0.18 0.00 -1.14 -0.37 0.00 0.00 177.43 175.49 2hgj n ARG 17 N -5.25 0.00 -0.11 6.67 0.63 0.30 -1.20 116.66 117.70 2hgj n ARG 17 Ca -0.06 0.86 -0.03 0.00 -0.92 0.00 0.00 57.85 57.70 2hgj n ARG 17 Cb 0.17 -1.44 -0.03 0.00 0.45 0.00 0.00 32.46 31.62 2hgj n ARG 17 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2hgj n ILE 18 N -2.60 -0.17 -0.13 5.15 -0.00 0.32 0.24 119.36 122.17 2hgj n ILE 18 Ca 0.00 0.78 -0.12 0.00 -0.00 0.00 0.00 62.75 63.41 2hgj n ILE 18 Cb 0.00 -0.98 -0.09 0.00 -0.00 0.00 0.00 39.64 38.58 2hgj n ILE 18 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 2hgj h LYS 19 N 0.00 -0.31 -1.25 0.38 3.11 0.23 -3.41 116.57 115.32 2hgj h LYS 19 Ca 0.04 0.02 -0.16 0.00 -2.81 0.00 0.00 60.65 57.74 2hgj h LYS 19 Cb 0.10 0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.41 2hgj h LYS 19 CO -0.24 -0.20 -0.00 0.54 -2.81 0.00 0.00 179.45 176.74 2hgj n ARG 20 N -4.97 0.00 -3.31 1.90 5.12 0.67 -4.89 116.66 111.17 2hgj n ARG 20 Ca -0.03 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.79 2hgj n ARG 20 Cb 0.29 -0.30 -0.06 0.00 -1.16 0.00 0.00 32.46 31.22 2hgj n ARG 20 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2hgj s THR 21 N -0.02 -0.60 0.00 0.55 -4.23 -1.26 -4.91 115.64 105.17 2hgj s THR 21 Ca 0.18 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 2hgj s THR 21 Cb -0.26 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.71 2hgj s THR 21 CO 0.12 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 2hgj n GLY 22 N 5.12 1.00 0.00 3.99 0.00 -1.26 -5.11 105.19 108.92 2hgj n GLY 22 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2hgj n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgj n ARG 23 N 0.00 0.00 -3.74 1.61 3.00 -1.26 -4.51 116.66 111.77 2hgj n ARG 23 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 2hgj n ARG 23 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.62 2hgj n ARG 23 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2hgj s LEU 24 N 0.00 3.34 -0.01 6.15 0.20 -1.26 -3.83 118.68 123.27 2hgj s LEU 24 Ca 0.00 -0.80 -0.00 0.00 0.69 0.00 0.00 54.13 54.01 2hgj s LEU 24 Cb 0.00 -1.91 0.00 0.00 -0.43 0.00 0.00 46.19 43.85 2hgj s LEU 24 CO 0.00 -0.59 0.02 0.00 -0.29 0.00 0.00 176.35 175.49 2hgj s ARG 25 N -4.05 0.01 -0.10 1.98 1.70 0.30 -0.52 118.95 118.27 2hgj s ARG 25 Ca 0.45 0.03 -0.12 0.00 -0.47 0.00 0.00 55.73 55.62 2hgj s ARG 25 Cb -0.02 -0.00 -0.05 0.00 -0.57 0.00 0.00 34.95 34.31 2hgj s ARG 25 CO 0.26 -0.01 0.28 -1.17 -1.08 0.00 0.00 175.30 173.58 2hgj s LEU 26 N 0.06 4.36 -0.61 -1.89 1.98 0.03 -1.19 118.68 121.43 2hgj s LEU 26 Ca -0.00 0.63 -0.04 0.00 -2.89 0.00 0.00 54.13 51.83 2hgj s LEU 26 Cb -0.01 -2.34 0.09 0.00 0.66 0.00 0.00 46.19 44.59 2hgj s LEU 26 CO -0.00 0.26 2.66 -0.24 -1.89 0.00 0.00 176.35 177.14 2hgj n SER 27 N 2.57 6.77 -4.30 3.68 2.88 0.08 -0.97 113.62 124.34 2hgj n SER 27 Ca -0.15 -3.24 -0.40 0.00 -1.33 0.00 0.00 58.87 53.76 2hgj n SER 27 Cb 0.53 -1.24 0.01 0.00 -0.75 0.00 0.00 64.21 62.76 2hgj n SER 27 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2hgj n VAL 28 N 0.91 0.48 -4.35 2.46 3.14 -1.26 -3.82 118.33 115.89 2hgj n VAL 28 Ca 0.51 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 61.15 2hgj n VAL 28 Cb 0.49 -0.11 -0.12 0.00 -1.06 0.00 0.00 33.84 33.04 2hgj n VAL 28 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 2hgj s PHE 29 N -1.88 2.00 0.00 1.45 2.19 -1.23 -4.75 117.98 115.76 2hgj s PHE 29 Ca 0.59 -0.42 0.00 0.00 0.33 0.00 0.00 56.93 57.44 2hgj s PHE 29 Cb -0.52 -1.03 0.00 0.00 -1.31 0.00 0.00 43.02 40.16 2hgj s PHE 29 CO 0.64 0.34 0.00 0.54 1.83 0.00 0.00 175.22 178.57 2hgj n ARG 30 N 0.57 2.09 0.00 10.12 1.74 -1.26 -4.13 116.66 125.79 2hgj n ARG 30 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2hgj n ARG 30 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 2hgj n ARG 30 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2hgj n SER 31 N 0.00 0.00 0.00 0.55 2.88 -1.26 -0.87 113.62 114.92 2hgj n SER 31 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2hgj n SER 31 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2hgj n SER 31 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2hgj n LEU 32 N 0.00 0.00 0.08 2.46 4.32 -1.26 -2.65 117.00 119.96 2hgj n LEU 32 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.04 2hgj n LEU 32 Cb 0.00 0.00 0.24 0.00 -1.62 0.00 0.00 43.42 42.04 2hgj n LEU 32 CO 0.00 0.00 0.66 1.17 -1.22 0.00 0.00 177.39 178.00 2hgj n LYS 33 N 0.00 0.06 0.00 3.23 4.81 -1.26 -0.76 118.16 124.24 2hgj n LYS 33 Ca 0.00 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2hgj n LYS 33 Cb 0.00 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.24 2hgj n LYS 33 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2hgj n HIS 34 N -1.79 0.00 -0.04 5.64 -0.00 -1.26 -4.77 115.22 113.01 2hgj n HIS 34 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2hgj n HIS 34 Cb 0.14 -0.13 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 2hgj n HIS 34 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 2hgj n ILE 35 N -1.12 0.00 -3.53 3.57 0.13 0.06 -4.93 119.36 113.54 2hgj n ILE 35 Ca 0.00 0.00 -0.29 0.00 -1.10 0.00 0.00 62.75 61.36 2hgj n ILE 35 Cb 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 39.64 38.67 2hgj n ILE 35 CO 0.00 0.00 0.00 -0.47 2.80 0.00 0.00 176.55 178.88 2hgj s TYR 36 N 0.00 0.84 0.23 9.51 5.04 -1.26 -4.69 117.35 127.03 2hgj s TYR 36 Ca 0.00 -1.54 -0.30 0.00 -2.44 0.00 0.00 57.07 52.79 2hgj s TYR 36 Cb 0.00 -1.09 -0.09 0.00 0.35 0.00 0.00 41.96 41.13 2hgj s TYR 36 CO 0.00 -0.83 0.96 0.00 -1.34 0.00 0.00 175.55 174.34 2hgj s ALA 37 N 1.29 3.34 -0.07 3.97 0.00 -1.26 -3.49 121.76 125.54 2hgj s ALA 37 Ca 0.15 0.65 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 2hgj s ALA 37 Cb -0.21 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2hgj s ALA 37 CO -0.11 0.15 0.18 1.14 0.00 0.00 0.00 175.76 177.13 2hgj s GLN 38 N -1.11 0.18 -0.01 0.00 -2.07 -1.25 -0.87 119.66 114.54 2hgj s GLN 38 Ca 0.42 0.32 -0.15 0.00 -1.82 0.00 0.00 55.36 54.13 2hgj s GLN 38 Cb -0.26 0.01 -0.06 0.00 -1.09 0.00 0.00 33.01 31.61 2hgj s GLN 38 CO 0.33 -0.08 0.41 0.96 -1.32 0.00 0.00 175.29 175.59 2hgj s ILE 39 N 0.52 5.04 0.25 3.63 -4.36 -0.51 -0.74 121.20 125.03 2hgj s ILE 39 Ca -0.04 0.84 -0.14 0.00 -0.26 0.00 0.00 60.65 61.05 2hgj s ILE 39 Cb -0.05 -3.71 0.00 0.00 1.25 0.00 0.00 42.46 39.95 2hgj s ILE 39 CO -0.03 0.56 0.51 -0.63 0.24 0.00 0.00 174.94 175.60 2hgj s ILE 40 N -0.96 0.00 0.00 8.37 1.09 -0.33 -0.41 121.20 128.96 2hgj s ILE 40 Ca 0.24 -1.31 0.00 0.00 -1.10 0.00 0.00 60.65 58.48 2hgj s ILE 40 Cb -0.17 -2.13 0.00 0.00 -1.06 0.00 0.00 42.46 39.11 2hgj s ILE 40 CO 0.13 -0.02 0.00 -0.90 -0.10 0.00 0.00 174.94 174.05 2hgj n ASP 41 N -0.39 0.08 -4.70 3.58 3.85 -1.21 -0.54 116.55 117.23 2hgj n ASP 41 Ca -0.03 0.00 -0.67 0.00 -0.71 0.00 0.00 54.79 53.38 2hgj n ASP 41 Cb 0.61 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.29 2hgj n ASP 41 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 2hgj n ASP 42 N 0.00 1.19 -2.57 -1.12 4.64 -1.25 -4.64 116.55 112.80 2hgj n ASP 42 Ca 0.00 1.18 -0.04 0.00 -1.38 0.00 0.00 54.79 54.55 2hgj n ASP 42 Cb 0.00 -0.87 -0.03 0.00 -1.04 0.00 0.00 41.12 39.18 2hgj n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2hgj n GLU 43 N 3.94 0.51 0.25 -0.67 -0.58 -1.26 -4.09 120.64 118.73 2hgj n GLU 43 Ca 0.31 -0.37 0.17 0.00 -0.42 0.00 0.00 57.16 56.84 2hgj n GLU 43 Cb -0.06 -1.75 0.81 0.00 -0.57 0.00 0.00 31.44 29.87 2hgj n GLU 43 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2hgj h LYS 44 N 5.88 0.00 0.00 3.49 1.79 -2.04 -3.42 116.57 122.28 2hgj h LYS 44 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2hgj h LYS 44 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2hgj h LYS 44 CO 0.63 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.41 2hgj n GLY 45 N -0.58 1.04 3.68 3.86 0.00 -1.26 -5.09 105.19 106.84 2hgj n GLY 45 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2hgj n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hgj s VAL 46 N -2.00 4.81 -0.12 1.61 -7.23 -1.26 -5.07 120.40 111.14 2hgj s VAL 46 Ca 0.00 1.88 0.01 0.00 -1.81 0.00 0.00 61.98 62.07 2hgj s VAL 46 Cb 0.00 -4.24 0.02 0.00 0.56 0.00 0.00 36.38 32.71 2hgj s VAL 46 CO 0.00 -0.00 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.75 2hgj s THR 47 N 2.15 1.55 0.00 5.32 2.01 -1.26 -3.29 115.64 122.12 2hgj s THR 47 Ca 0.44 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.79 2hgj s THR 47 Cb -0.17 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.91 2hgj s THR 47 CO 0.15 0.45 0.00 -0.11 -0.69 0.00 0.00 174.62 174.42 2hgj n LEU 48 N 4.39 0.00 -4.36 4.42 0.00 0.45 -4.94 117.00 116.96 2hgj n LEU 48 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 56.01 55.64 2hgj n LEU 48 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.83 2hgj n LEU 48 CO 0.23 0.00 -0.35 0.54 0.00 0.00 0.00 177.39 177.81 2hgj s VAL 49 N 0.00 1.27 0.16 1.96 0.11 -1.26 -4.96 120.40 117.68 2hgj s VAL 49 Ca 0.00 -2.07 -0.19 0.00 -2.93 0.00 0.00 61.98 56.79 2hgj s VAL 49 Cb 0.00 -2.35 -0.07 0.00 -1.53 0.00 0.00 36.38 32.42 2hgj s VAL 49 CO 0.00 -0.34 0.65 -0.94 -3.33 0.00 0.00 175.10 171.14 2hgj s SER 50 N -3.35 7.05 0.00 3.54 1.04 -1.26 -1.42 113.70 119.30 2hgj s SER 50 Ca 0.28 1.33 0.00 0.00 0.48 0.00 0.00 55.95 58.04 2hgj s SER 50 Cb 0.05 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2hgj s SER 50 CO 0.09 0.14 0.00 0.00 0.98 0.00 0.00 173.24 174.45 2hgj n ALA 51 N 1.13 0.00 -3.13 5.32 0.00 -0.05 -4.89 120.51 118.88 2hgj n ALA 51 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.93 2hgj n ALA 51 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 2hgj n ALA 51 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hgj s SER 52 N -1.16 6.41 -1.12 0.00 0.01 -1.25 -4.61 113.70 111.98 2hgj s SER 52 Ca 0.00 -1.86 -0.14 0.00 1.31 0.00 0.00 55.95 55.27 2hgj s SER 52 Cb 0.00 -2.30 -0.07 0.00 0.21 0.00 0.00 66.02 63.86 2hgj s SER 52 CO 0.00 -0.97 2.22 -1.54 0.41 0.00 0.00 173.24 173.36 2hgj n SER 53 N 5.80 4.56 -1.02 2.44 3.41 -1.26 -4.67 113.62 122.88 2hgj n SER 53 Ca 0.02 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 2hgj n SER 53 Cb 0.45 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 2hgj n SER 53 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2hgj n LEU 54 N 5.59 0.00 -2.77 1.04 7.94 -1.26 -4.55 117.00 122.98 2hgj n LEU 54 Ca 0.54 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 55.15 2hgj n LEU 54 Cb 0.29 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.17 2hgj n LEU 54 CO 0.88 0.00 2.29 0.00 -1.11 0.00 0.00 177.39 179.45 2hgj n ALA 55 N -0.25 6.83 0.00 1.96 0.00 -1.26 -4.95 120.51 122.84 2hgj n ALA 55 Ca 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.43 2hgj n ALA 55 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 16.77 2hgj n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2hgj n LEU 56 N 2.33 0.00 0.00 0.00 7.94 -1.26 -4.99 117.00 121.01 2hgj n LEU 56 Ca 0.58 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 2hgj n LEU 56 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2hgj n LEU 56 CO 0.49 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.94 2hgj n LYS 57 N 0.00 0.00 -3.11 1.96 0.00 -1.26 -5.10 118.16 110.65 2hgj n LYS 57 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.35 2hgj n LYS 57 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 35.03 34.65 2hgj n LYS 57 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2hgj s LEU 58 N -3.21 -0.75 0.00 3.14 2.96 -1.26 -4.95 118.68 114.62 2hgj s LEU 58 Ca 0.00 0.01 0.27 0.00 -0.22 0.00 0.00 54.13 54.18 2hgj s LEU 58 Cb 0.00 1.38 1.32 0.00 0.50 0.00 0.00 46.19 49.39 2hgj s LEU 58 CO 0.00 -0.13 1.90 0.29 -1.32 0.00 0.00 176.35 177.09 2hgj n LYS 59 N 4.97 0.34 0.00 1.98 4.01 -1.26 -4.16 118.16 124.04 2hgj n LYS 59 Ca 0.08 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2hgj n LYS 59 Cb 0.58 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.60 2hgj n LYS 59 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2hgj n GLY 60 N 0.99 -1.84 2.98 0.72 0.00 -1.26 -4.70 105.19 102.08 2hgj n GLY 60 Ca 0.12 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 2hgj n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hgj n ASN 61 N -1.85 0.11 -3.20 1.61 2.85 -1.26 -4.73 115.26 108.79 2hgj n ASN 61 Ca 0.00 -1.66 -0.24 0.00 -0.11 0.00 0.00 54.58 52.57 2hgj n ASN 61 Cb 0.00 -0.36 -0.06 0.00 1.24 0.00 0.00 39.78 40.60 2hgj n ASN 61 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2hgj n LYS 62 N 4.90 1.71 0.28 1.20 4.76 -1.26 -4.72 118.16 125.03 2hgj n LYS 62 Ca 0.08 -3.94 0.18 0.00 -2.87 0.00 0.00 58.31 51.77 2hgj n LYS 62 Cb 0.09 -1.79 0.93 0.00 -1.84 0.00 0.00 35.03 32.43 2hgj n LYS 62 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2hgj h THR 63 N 2.25 0.17 -0.26 -0.18 2.02 -1.89 5.84 112.91 120.86 2hgj h THR 63 Ca 0.12 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.16 2hgj h THR 63 Cb 0.77 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2hgj h THR 63 CO 0.63 0.00 -0.40 -0.08 0.37 0.00 0.00 175.52 176.04 2hgj h GLU 64 N 0.00 0.62 -0.98 6.66 4.57 -1.95 0.16 114.58 123.66 2hgj h GLU 64 Ca 0.04 -0.32 0.25 0.00 -1.18 0.00 0.00 59.36 58.15 2hgj h GLU 64 Cb 0.45 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 28.92 2hgj h GLU 64 CO -0.00 0.91 0.54 -0.24 -1.18 0.00 0.00 179.01 179.04 2hgj h VAL 65 N 0.51 0.49 0.00 0.32 3.04 1.16 0.38 116.25 122.15 2hgj h VAL 65 Ca 0.04 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2hgj h VAL 65 Cb 0.92 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 2hgj h VAL 65 CO 0.08 0.09 0.00 0.00 -1.01 0.00 0.00 177.57 176.73 2hgj n ALA 66 N -2.36 -0.37 -0.18 3.17 0.00 0.37 -1.30 120.51 119.83 2hgj n ALA 66 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.82 2hgj n ALA 66 Cb 0.76 0.01 0.21 0.00 0.00 0.00 0.00 19.45 20.43 2hgj n ALA 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2hgj n ARG 67 N -1.67 -0.04 0.00 0.00 3.00 -0.14 0.17 116.66 117.98 2hgj n ARG 67 Ca 0.00 0.79 0.00 0.00 -0.00 0.00 0.00 57.85 58.64 2hgj n ARG 67 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 32.46 31.15 2hgj n ARG 67 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2hgj n GLN 68 N -4.52 0.00 -0.17 -0.14 7.27 -0.03 -0.92 117.38 118.86 2hgj n GLN 68 Ca 0.15 0.29 0.03 0.00 0.07 0.00 0.00 57.00 57.54 2hgj n GLN 68 Cb 0.51 -1.26 0.06 0.00 2.41 0.00 0.00 30.24 31.96 2hgj n GLN 68 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2hgj n VAL 69 N -1.33 -0.21 0.00 1.69 0.31 0.46 -0.87 118.33 118.38 2hgj n VAL 69 Ca 0.00 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.44 2hgj n VAL 69 Cb 0.00 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 2hgj n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hgj n GLY 70 N -1.30 -3.03 0.40 2.92 0.00 -0.17 -1.16 105.19 102.86 2hgj n GLY 70 Ca 0.07 0.10 0.35 0.00 0.00 0.00 0.00 46.02 46.54 2hgj n GLY 70 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hgj n ARG 71 N -0.62 -0.04 0.00 1.61 -4.01 -0.05 0.18 116.66 113.74 2hgj n ARG 71 Ca 0.00 1.17 0.00 0.00 -1.04 0.00 0.00 57.85 57.98 2hgj n ARG 71 Cb 0.00 -2.25 0.00 0.00 -3.04 0.00 0.00 32.46 27.17 2hgj n ARG 71 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2hgj n ALA 72 N -2.49 -0.12 -0.29 2.89 0.00 -0.33 -1.17 120.51 119.00 2hgj n ALA 72 Ca 0.36 0.00 0.26 0.00 0.00 0.00 0.00 53.44 54.06 2hgj n ALA 72 Cb 1.37 0.10 0.48 0.00 0.00 0.00 0.00 19.45 21.40 2hgj n ALA 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgj n LEU 73 N -1.22 0.23 0.00 0.00 4.32 0.47 -1.05 117.00 119.75 2hgj n LEU 73 Ca 0.00 1.49 0.00 0.00 -0.02 0.00 0.00 56.01 57.48 2hgj n LEU 73 Cb 0.00 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 2hgj n LEU 73 CO 0.00 -1.64 0.40 0.00 -1.22 0.00 0.00 177.39 174.92 2hgj n ALA 74 N -2.51 -0.14 -0.29 -1.18 0.00 0.17 -0.94 120.51 115.63 2hgj n ALA 74 Ca 0.32 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.82 2hgj n ALA 74 Cb 1.07 0.21 0.28 0.00 0.00 0.00 0.00 19.45 21.00 2hgj n ALA 74 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2hgj h GLU 75 N 0.00 0.89 -0.14 0.00 4.11 -0.02 -1.38 114.58 118.05 2hgj h GLU 75 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.39 2hgj h GLU 75 Cb 0.00 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2hgj h GLU 75 CO 0.00 0.59 -0.08 1.17 0.07 0.00 0.00 179.01 180.76 2hgj n LYS 76 N -4.52 -0.06 -0.14 1.06 4.81 -0.22 0.72 118.16 119.81 2hgj n LYS 76 Ca 0.15 1.06 -0.03 0.00 -0.87 0.00 0.00 58.31 58.61 2hgj n LYS 76 Cb 0.28 -1.58 0.05 0.00 0.02 0.00 0.00 35.03 33.80 2hgj n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hgj h ALA 77 N -0.78 0.48 -0.52 3.14 0.00 -0.61 0.15 119.26 121.12 2hgj h ALA 77 Ca 0.02 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2hgj h ALA 77 Cb 0.06 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 2hgj h ALA 77 CO -0.13 -0.34 -0.16 -0.11 0.00 0.00 0.00 179.25 178.51 2hgj n LEU 78 N -5.14 -0.25 0.08 0.00 -0.00 0.22 0.15 117.00 112.05 2hgj n LEU 78 Ca 0.04 0.90 -0.08 0.00 -0.00 0.00 0.00 56.01 56.87 2hgj n LEU 78 Cb 0.23 -0.24 -0.05 0.00 -0.00 0.00 0.00 43.42 43.35 2hgj n LEU 78 CO 0.20 -0.84 0.26 0.00 -0.00 0.00 0.00 177.39 177.02 2hgj h ALA 79 N 0.89 -0.29 -0.64 1.96 0.00 0.15 -3.16 119.26 118.18 2hgj h ALA 79 Ca 0.22 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2hgj h ALA 79 Cb 0.35 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 2hgj h ALA 79 CO -0.52 -0.31 -0.36 1.28 0.00 0.00 0.00 179.25 179.33 2hgj n LEU 80 N -4.96 -0.65 -3.35 0.00 7.99 0.39 0.27 117.00 116.69 2hgj n LEU 80 Ca -0.06 1.14 -0.40 0.00 -0.01 0.00 0.00 56.01 56.68 2hgj n LEU 80 Cb 0.21 -0.16 0.03 0.00 -0.11 0.00 0.00 43.42 43.39 2hgj n LEU 80 CO 0.18 -0.94 1.46 0.61 -1.51 0.00 0.00 177.39 177.19 2hgj n GLY 81 N -1.18 5.91 2.50 -0.72 0.00 -0.12 -4.92 105.19 106.65 2hgj n GLY 81 Ca 0.02 -2.55 0.00 0.00 0.00 0.00 0.00 46.02 43.49 2hgj n GLY 81 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2hgj n ILE 82 N -0.25 0.00 -3.63 -0.61 -5.35 0.78 -4.36 119.36 105.94 2hgj n ILE 82 Ca 0.49 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.90 2hgj n ILE 82 Cb 0.25 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.09 2hgj n ILE 82 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2hgj s LYS 83 N 0.00 0.39 0.00 6.28 1.02 -1.19 -4.14 119.74 122.09 2hgj s LYS 83 Ca 0.00 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.37 2hgj s LYS 83 Cb 0.00 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 2hgj s LYS 83 CO 0.00 -0.06 0.00 1.04 -0.92 0.00 0.00 175.35 175.41 2hgj n GLN 84 N 1.76 -2.54 -3.75 1.68 3.00 -1.26 -5.15 117.38 111.12 2hgj n GLN 84 Ca -0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.76 2hgj n GLN 84 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.69 2hgj n GLN 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2hgj s VAL 85 N -2.60 -0.01 0.00 5.09 -7.23 -1.26 -5.07 120.40 109.32 2hgj s VAL 85 Ca 0.00 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 2hgj s VAL 85 Cb 0.00 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.48 2hgj s VAL 85 CO 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 175.10 174.80 2hgj n ALA 86 N 3.28 0.00 -3.00 1.32 0.00 -1.26 -4.65 120.51 116.19 2hgj n ALA 86 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2hgj n ALA 86 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2hgj n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hgj n PHE 87 N 0.00 0.00 -3.69 0.00 7.35 0.32 -4.94 117.46 116.50 2hgj n PHE 87 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 2hgj n PHE 87 Cb 0.00 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.85 2hgj n PHE 87 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2hgj n ASP 88 N 0.00 -1.61 0.00 -2.13 5.75 -1.26 -0.79 116.55 116.51 2hgj n ASP 88 Ca 0.00 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 2hgj n ASP 88 Cb 0.00 2.66 0.00 0.00 -1.03 0.00 0.00 41.12 42.75 2hgj n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2hgj n ARG 89 N -0.48 2.77 0.00 0.11 0.63 -0.14 -4.82 116.66 114.73 2hgj n ARG 89 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2hgj n ARG 89 Cb 0.46 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.37 2hgj n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hgj n GLY 90 N 3.34 3.92 0.00 5.14 0.00 -1.26 -4.96 105.19 111.38 2hgj n GLY 90 Ca 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.31 2hgj n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgj n PRO 91 N -1.31 0.87 -2.66 1.61 -0.04 -1.26 -4.96 135.00 127.24 2hgj n PRO 91 Ca 0.00 -0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 2hgj n PRO 91 Cb 0.00 -1.24 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 2hgj n PRO 91 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2hgj n TYR 92 N -1.80 -0.82 -1.76 0.54 9.36 -1.26 -5.14 117.16 116.29 2hgj n TYR 92 Ca -0.01 -0.56 -0.42 0.00 3.32 0.00 0.00 57.90 60.23 2hgj n TYR 92 Cb 0.29 0.27 -0.00 0.00 -0.63 0.00 0.00 39.34 39.27 2hgj n TYR 92 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2hgj n LYS 93 N -0.37 2.58 -2.22 2.98 4.81 -1.26 -4.83 118.16 119.85 2hgj n LYS 93 Ca -0.00 0.91 -0.33 0.00 -0.87 0.00 0.00 58.31 58.02 2hgj n LYS 93 Cb 0.28 -2.63 -0.04 0.00 0.02 0.00 0.00 35.03 32.66 2hgj n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2hgj s TYR 94 N -0.87 2.20 0.08 5.64 1.51 -1.26 -3.95 117.35 120.70 2hgj s TYR 94 Ca 0.56 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.47 2hgj s TYR 94 Cb -0.50 -4.23 0.00 0.00 -0.11 0.00 0.00 41.96 37.12 2hgj s TYR 94 CO 0.60 -1.41 0.00 -2.39 -1.11 0.00 0.00 175.55 171.24 2hgj n HIS 95 N 12.54 -0.51 -0.81 2.71 1.44 -1.26 -4.38 115.22 124.96 2hgj n HIS 95 Ca 0.45 0.09 0.00 0.00 -2.01 0.00 0.00 57.72 56.25 2hgj n HIS 95 Cb 0.47 0.28 0.00 0.00 0.12 0.00 0.00 29.99 30.85 2hgj n HIS 95 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hgj n GLY 96 N 2.47 2.21 0.00 -1.39 0.00 -1.26 -4.22 105.19 103.01 2hgj n GLY 96 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2hgj n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgj n ARG 97 N 0.00 0.00 0.02 1.61 5.12 -1.26 0.11 116.66 122.26 2hgj n ARG 97 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 2hgj n ARG 97 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 2hgj n ARG 97 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 2hgj h VAL 98 N 0.00 0.00 -1.09 1.55 3.04 -1.88 -0.47 116.25 117.40 2hgj h VAL 98 Ca 0.00 0.00 0.32 0.00 -1.01 0.00 0.00 66.70 66.01 2hgj h VAL 98 Cb 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 31.29 29.16 2hgj h VAL 98 CO 0.00 0.00 0.67 0.50 -1.01 0.00 0.00 177.57 177.73 2hgj h LYS 99 N -0.07 0.30 0.00 4.17 3.64 0.70 0.45 116.57 125.76 2hgj h LYS 99 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2hgj h LYS 99 Cb 0.06 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2hgj h LYS 99 CO -0.00 0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.38 2hgj n ALA 100 N -2.40 -0.11 -0.29 5.00 0.00 0.38 0.25 120.51 123.35 2hgj n ALA 100 Ca 0.31 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.98 2hgj n ALA 100 Cb 1.04 0.32 0.44 0.00 0.00 0.00 0.00 19.45 21.25 2hgj n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2hgj n LEU 101 N -2.30 0.19 0.00 0.00 -0.00 0.15 -0.97 117.00 114.06 2hgj n LEU 101 Ca 0.00 1.47 0.00 0.00 -0.00 0.00 0.00 56.01 57.48 2hgj n LEU 101 Cb 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 43.42 42.76 2hgj n LEU 101 CO 0.00 -1.60 0.11 0.00 -0.00 0.00 0.00 177.39 175.90 2hgj n ALA 102 N -2.61 0.00 -0.47 1.96 0.00 0.71 -0.65 120.51 119.46 2hgj n ALA 102 Ca 0.30 0.00 0.42 0.00 0.00 0.00 0.00 53.44 54.16 2hgj n ALA 102 Cb 1.00 0.04 0.78 0.00 0.00 0.00 0.00 19.45 21.27 2hgj n ALA 102 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hgj h GLU 103 N 0.00 0.00 0.17 0.00 3.07 -0.11 2.46 114.58 120.17 2hgj h GLU 103 Ca 0.00 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2hgj h GLU 103 Cb 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 2hgj h GLU 103 CO 0.00 0.00 -0.43 0.78 -1.40 0.00 0.00 179.01 177.97 2hgj h GLY 104 N 0.00 -0.90 0.24 -3.84 0.00 -0.73 0.19 103.07 98.04 2hgj h GLY 104 Ca 0.71 0.51 0.04 0.00 0.00 0.00 0.00 47.33 48.59 2hgj h GLY 104 CO -0.01 -0.28 -0.31 0.00 0.00 0.00 0.00 176.54 175.94 2hgj h ALA 105 N -0.26 -0.39 -0.17 3.60 0.00 0.64 -0.74 119.26 121.94 2hgj h ALA 105 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2hgj h ALA 105 Cb 0.70 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2hgj h ALA 105 CO -0.22 -0.80 -0.10 -2.13 0.00 0.00 0.00 179.25 176.01 2hgj n ARG 106 N -5.40 -0.07 0.25 0.00 0.00 0.45 0.40 116.66 112.28 2hgj n ARG 106 Ca -0.04 0.31 -0.11 0.00 -0.00 0.00 0.00 57.85 58.01 2hgj n ARG 106 Cb 0.32 -0.46 -0.06 0.00 0.00 0.00 0.00 32.46 32.26 2hgj n ARG 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2hgj h GLU 107 N 0.00 -0.67 -1.77 -0.14 4.39 -0.15 -0.54 114.58 115.70 2hgj h GLU 107 Ca 0.03 0.05 0.54 0.00 0.34 0.00 0.00 59.36 60.31 2hgj h GLU 107 Cb 0.07 0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 28.77 2hgj h GLU 107 CO -0.16 -0.45 1.23 0.78 -1.16 0.00 0.00 179.01 179.26 2hgj h GLY 108 N -0.70 0.50 0.17 -3.84 0.00 0.93 0.32 103.07 100.46 2hgj h GLY 108 Ca -0.06 -0.03 -0.38 0.00 0.00 0.00 0.00 47.33 46.86 2hgj h GLY 108 CO 0.06 -0.18 -2.21 0.61 0.00 0.00 0.00 176.54 174.82 2hgj n GLY 109 N -1.78 -0.49 0.06 4.60 0.00 0.35 -3.94 105.19 103.98 2hgj n GLY 109 Ca 0.43 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.40 2hgj n GLY 109 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hgj n LEU 110 N -3.65 0.61 -1.65 0.99 0.00 -0.24 -5.03 117.00 108.04 2hgj n LEU 110 Ca -0.42 0.10 -0.07 0.00 0.00 0.00 0.00 56.01 55.62 2hgj n LEU 110 Cb 0.95 -0.09 0.01 0.00 0.00 0.00 0.00 43.42 44.29 2hgj n LEU 110 CO 0.26 -0.03 -0.05 -0.62 0.00 0.00 0.00 177.39 176.94 2hgj n GLU 111 N -2.20 -0.33 0.00 1.96 1.02 0.07 -5.06 120.64 116.10 2hgj n GLU 111 Ca 0.01 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2hgj n GLU 111 Cb 0.48 -0.36 0.00 0.00 -0.02 0.00 0.00 31.44 31.54 2hgj n GLU 111 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28