#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hrc s ASP 2 N 0.00 6.35 0.43 1.61 3.68 -1.26 -4.85 116.67 122.64 1hrc s ASP 2 Ca 0.00 -0.16 0.15 0.00 2.13 0.00 0.00 52.55 54.67 1hrc s ASP 2 Cb 0.00 -2.52 0.95 0.00 -1.45 0.00 0.00 42.92 39.90 1hrc s ASP 2 CO 0.00 -1.49 1.95 0.58 0.13 0.00 0.00 175.17 176.34 1hrc h VAL 3 N 6.09 1.13 0.00 1.11 2.07 -1.88 0.13 116.25 124.90 1hrc h VAL 3 Ca -0.26 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.33 1hrc h VAL 3 Cb 1.06 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1hrc h VAL 3 CO 1.18 0.23 -1.05 1.05 0.02 0.00 0.00 177.57 179.00 1hrc h GLU 4 N 0.00 0.00 -0.14 1.57 4.11 -1.92 -2.31 114.58 115.88 1hrc h GLU 4 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 1hrc h GLU 4 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1hrc h GLU 4 CO 0.03 0.29 -0.68 0.87 0.07 0.00 0.00 179.01 179.59 1hrc h LYS 5 N 0.00 0.57 -0.20 1.06 1.57 -1.85 -3.12 116.57 114.61 1hrc h LYS 5 Ca -0.09 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1hrc h LYS 5 Cb 1.41 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 1hrc h LYS 5 CO 0.04 1.05 0.12 0.78 -0.57 0.00 0.00 179.45 180.87 1hrc h GLY 6 N 1.01 0.28 0.66 3.86 0.00 -0.76 -2.87 103.07 105.25 1hrc h GLY 6 Ca -0.02 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.26 1hrc h GLY 6 CO 0.13 0.11 0.48 1.70 0.00 0.00 0.00 176.54 178.96 1hrc h LYS 7 N 0.24 0.84 -0.39 4.80 3.64 -1.38 -1.88 116.57 122.44 1hrc h LYS 7 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1hrc h LYS 7 Cb 0.01 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1hrc h LYS 7 CO -0.01 0.55 0.20 -0.22 -2.27 0.00 0.00 179.45 177.70 1hrc h LYS 8 N 0.86 0.56 -0.61 1.90 3.64 -1.45 -1.33 116.57 120.13 1hrc h LYS 8 Ca 0.36 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.72 1hrc h LYS 8 Cb 0.23 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1hrc h LYS 8 CO -0.19 0.47 0.33 0.82 -2.27 0.00 0.00 179.45 178.61 1hrc h ILE 9 N 0.50 0.97 0.64 2.00 2.04 -1.25 -1.99 117.51 120.41 1hrc h ILE 9 Ca 0.14 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1hrc h ILE 9 Cb 0.08 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1hrc h ILE 9 CO -0.02 0.11 -0.51 0.15 0.00 0.00 0.00 178.15 177.89 1hrc h PHE 10 N 0.63 -1.38 -0.69 1.37 3.04 -0.97 0.50 116.94 119.45 1hrc h PHE 10 Ca 0.27 0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.37 1hrc h PHE 10 Cb 0.16 0.52 -0.12 0.00 2.56 0.00 0.00 35.95 39.06 1hrc h PHE 10 CO -0.09 -0.71 -0.08 0.28 -2.02 0.00 0.00 178.31 175.69 1hrc h VAL 11 N -1.11 0.36 -0.12 1.41 2.07 -1.04 0.28 116.25 118.11 1hrc h VAL 11 Ca -0.08 -0.02 -0.17 0.00 0.82 0.00 0.00 66.70 67.25 1hrc h VAL 11 Cb 0.92 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1hrc h VAL 11 CO 0.01 0.01 -0.66 1.56 0.02 0.00 0.00 177.57 178.51 1hrc h GLN 12 N 0.05 0.46 0.00 1.57 4.20 -1.16 -3.35 115.11 116.88 1hrc h GLN 12 Ca 0.35 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1hrc h GLN 12 Cb 0.57 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1hrc h GLN 12 CO -0.65 0.96 -0.90 1.63 -0.67 0.00 0.00 178.83 179.19 1hrc n LYS 13 N -3.89 0.83 -0.02 1.46 5.02 0.17 -4.88 118.16 116.86 1hrc n LYS 13 Ca -0.04 -0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.23 1hrc n LYS 13 Cb 0.67 -0.95 -0.04 0.00 -0.02 0.00 0.00 35.03 34.68 1hrc n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hrc h ALA 15 N 0.24 1.76 0.00 0.00 0.00 -1.43 -1.34 119.26 118.50 1hrc h ALA 15 Ca -0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1hrc h ALA 15 Cb 1.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1hrc h ALA 15 CO 0.01 -0.59 -0.25 0.37 0.00 0.00 0.00 179.25 178.79 1hrc h GLN 16 N 0.00 0.00 0.00 0.00 4.15 -1.85 -3.31 115.11 114.10 1hrc h GLN 16 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1hrc h GLN 16 Cb 1.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1hrc h GLN 16 CO -0.00 0.25 0.00 0.00 -1.93 0.00 0.00 178.83 177.15 1hrc s HIS 18 N -0.19 0.21 0.12 0.00 3.76 -0.96 -0.46 115.29 117.76 1hrc s HIS 18 Ca 0.00 -0.53 0.09 0.00 -0.15 0.00 0.00 55.06 54.48 1hrc s HIS 18 Cb 0.00 -0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.51 1hrc s HIS 18 CO 0.00 -0.38 -0.20 0.99 -0.85 0.00 0.00 174.74 174.30 1hrc s THR 19 N -2.74 2.74 -0.01 1.30 2.01 -1.26 -4.45 115.64 113.23 1hrc s THR 19 Ca -0.04 -1.53 0.01 0.00 0.31 0.00 0.00 61.69 60.44 1hrc s THR 19 Cb -0.00 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 1hrc s THR 19 CO -0.05 0.11 0.02 1.33 -0.69 0.00 0.00 174.62 175.34 1hrc n VAL 20 N 0.85 0.00 -2.17 3.82 0.24 -1.26 0.88 118.33 120.68 1hrc n VAL 20 Ca -0.16 -0.16 -0.31 0.00 -2.04 0.00 0.00 64.34 61.67 1hrc n VAL 20 Cb 0.53 0.64 -0.01 0.00 -1.47 0.00 0.00 33.84 33.52 1hrc n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1hrc s GLU 21 N -1.76 3.74 0.09 7.34 1.03 -1.26 -3.27 118.70 124.61 1hrc s GLU 21 Ca -0.00 0.78 -0.35 0.00 0.03 0.00 0.00 54.97 55.43 1hrc s GLU 21 Cb 0.01 -2.14 -0.14 0.00 -0.80 0.00 0.00 34.13 31.06 1hrc s GLU 21 CO 0.03 -0.40 1.57 1.17 -1.33 0.00 0.00 175.26 176.29 1hrc n LYS 22 N -2.19 1.88 -1.30 -4.83 4.81 -1.26 -0.14 118.16 115.12 1hrc n LYS 22 Ca 0.06 0.68 -0.10 0.00 -0.87 0.00 0.00 58.31 58.07 1hrc n LYS 22 Cb 0.54 -2.42 -0.04 0.00 0.02 0.00 0.00 35.03 33.12 1hrc n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hrc n GLY 23 N 3.36 0.99 3.78 3.14 0.00 -1.26 -4.95 105.19 110.24 1hrc n GLY 23 Ca 0.18 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1hrc n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hrc s GLY 24 N -2.39 1.83 0.71 -0.02 0.00 0.80 -5.01 107.32 103.24 1hrc s GLY 24 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.92 1hrc s GLY 24 CO 0.00 0.65 1.07 -1.59 0.00 0.00 0.00 173.10 173.23 1hrc s LYS 25 N -4.65 2.77 -0.17 2.90 -2.85 -1.26 -4.77 119.74 111.71 1hrc s LYS 25 Ca 0.62 0.91 -0.21 0.00 -1.00 0.00 0.00 55.97 56.29 1hrc s LYS 25 Cb -0.17 -1.97 -0.03 0.00 -2.06 0.00 0.00 37.83 33.59 1hrc s LYS 25 CO 0.50 -1.20 0.62 -1.01 0.10 0.00 0.00 175.35 174.36 1hrc s HIS 26 N -3.06 3.42 0.00 1.78 3.76 -1.26 -4.07 115.29 115.86 1hrc s HIS 26 Ca 0.59 0.97 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 1hrc s HIS 26 Cb -0.14 -2.77 0.00 0.00 1.11 0.00 0.00 32.58 30.78 1hrc s HIS 26 CO 0.55 -0.09 0.00 1.63 -0.85 0.00 0.00 174.74 175.98 1hrc n LYS 27 N 4.67 1.88 -0.30 1.40 5.02 -1.26 -4.93 118.16 124.64 1hrc n LYS 27 Ca -0.02 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.22 1hrc n LYS 27 Cb 0.50 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.58 1hrc n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1hrc h THR 28 N 0.00 1.24 -2.17 -0.18 2.02 -1.84 -3.42 112.91 108.55 1hrc h THR 28 Ca 0.00 -0.56 -0.52 0.00 0.77 0.00 0.00 66.41 66.10 1hrc h THR 28 Cb 0.00 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.47 1hrc h THR 28 CO 0.00 0.26 -0.56 -0.83 0.37 0.00 0.00 175.52 174.76 1hrc s GLY 29 N -3.11 1.51 0.73 2.16 0.00 0.39 -5.07 107.32 103.93 1hrc s GLY 29 Ca -0.13 -1.51 -0.13 0.00 0.00 0.00 0.00 44.72 42.95 1hrc s GLY 29 CO 0.81 -1.55 1.13 2.56 0.00 0.00 0.00 173.10 176.05 1hrc s PRO 30 N -3.80 2.32 0.52 2.90 0.04 -1.26 -4.47 135.00 131.24 1hrc s PRO 30 Ca 0.33 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 1hrc s PRO 30 Cb -0.07 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1hrc s PRO 30 CO 0.24 -1.63 1.18 1.21 0.04 0.00 0.00 177.00 178.04 1hrc s ASN 31 N -2.74 5.76 0.00 6.66 3.84 -1.26 -4.22 114.94 122.98 1hrc s ASN 31 Ca 0.66 2.33 0.18 0.00 0.21 0.00 0.00 52.86 56.25 1hrc s ASN 31 Cb -0.21 -2.60 0.28 0.00 -0.55 0.00 0.00 41.25 38.17 1hrc s ASN 31 CO 0.48 -1.20 1.22 0.18 -2.79 0.00 0.00 177.10 174.98 1hrc n LEU 32 N -1.00 2.92 -4.69 3.21 4.77 0.25 -4.91 117.00 117.56 1hrc n LEU 32 Ca 0.10 -1.37 -0.44 0.00 -0.03 0.00 0.00 56.01 54.27 1hrc n LEU 32 Cb 0.49 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1hrc n LEU 32 CO 0.46 0.61 1.10 1.57 -1.33 0.00 0.00 177.39 179.79 1hrc n HIS 33 N 1.11 2.34 -1.15 -1.77 -0.00 -1.20 -2.27 115.22 112.27 1hrc n HIS 33 Ca 0.14 0.36 -0.03 0.00 0.46 0.00 0.00 57.72 58.65 1hrc n HIS 33 Cb 0.50 -2.51 -0.01 0.00 -0.12 0.00 0.00 29.99 27.85 1hrc n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1hrc n GLY 34 N 2.39 0.59 0.35 1.57 0.00 0.70 -5.00 105.19 105.80 1hrc n GLY 34 Ca 0.12 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1hrc n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hrc h LEU 35 N 0.00 -0.94 -9.04 0.99 5.85 -1.67 -3.41 115.31 107.09 1hrc h LEU 35 Ca -0.06 0.10 -0.62 0.00 0.84 0.00 0.00 57.88 58.13 1hrc h LEU 35 Cb 0.26 0.34 0.01 0.00 0.37 0.00 0.00 40.66 41.63 1hrc h LEU 35 CO 0.09 -0.44 1.27 0.49 -0.34 0.00 0.00 178.44 179.51 1hrc n PHE 36 N -5.43 2.09 -0.03 1.25 3.72 -1.26 -2.15 117.46 115.64 1hrc n PHE 36 Ca -0.08 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1hrc n PHE 36 Cb 0.34 -2.65 0.00 0.00 -0.94 0.00 0.00 39.48 36.23 1hrc n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hrc n GLY 37 N 5.22 0.48 3.89 1.37 0.00 0.26 -5.00 105.19 111.41 1hrc n GLY 37 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 1hrc n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hrc s ARG 38 N -0.85 3.33 0.79 1.61 3.52 -0.91 -4.81 118.95 121.62 1hrc s ARG 38 Ca 0.00 -0.51 -0.12 0.00 -0.13 0.00 0.00 55.73 54.98 1hrc s ARG 38 Cb 0.00 -2.97 0.07 0.00 -1.56 0.00 0.00 34.95 30.49 1hrc s ARG 38 CO 0.00 0.59 1.13 0.15 -0.81 0.00 0.00 175.30 176.36 1hrc s LYS 39 N -2.56 2.15 0.40 5.12 -0.14 -1.26 -0.88 119.74 122.57 1hrc s LYS 39 Ca 0.34 0.35 -0.26 0.00 -1.36 0.00 0.00 55.97 55.04 1hrc s LYS 39 Cb -0.13 -1.95 -0.09 0.00 -1.68 0.00 0.00 37.83 33.99 1hrc s LYS 39 CO 0.27 -1.51 1.28 0.95 -0.76 0.00 0.00 175.35 175.58 1hrc s THR 40 N -3.38 2.69 -1.25 2.17 -4.23 -1.12 -3.85 115.64 106.66 1hrc s THR 40 Ca 0.61 0.61 -0.06 0.00 -1.18 0.00 0.00 61.69 61.67 1hrc s THR 40 Cb -0.12 -3.36 0.01 0.00 1.34 0.00 0.00 72.50 70.36 1hrc s THR 40 CO 0.52 0.09 1.08 0.61 -0.54 0.00 0.00 174.62 176.37 1hrc n GLY 41 N 0.67 -0.44 0.38 3.99 0.00 -1.17 -4.63 105.19 104.00 1hrc n GLY 41 Ca 0.04 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1hrc n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hrc n GLN 42 N -4.57 2.17 -2.70 1.61 1.13 -1.25 -4.79 117.38 108.98 1hrc n GLN 42 Ca -0.08 -2.49 -0.43 0.00 -1.94 0.00 0.00 57.00 52.06 1hrc n GLN 42 Cb 0.59 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 29.38 1hrc n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1hrc s ALA 43 N -2.48 3.53 0.25 -1.58 0.00 -1.26 -4.98 121.76 115.24 1hrc s ALA 43 Ca 0.31 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1hrc s ALA 43 Cb 0.25 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 1hrc s ALA 43 CO 0.06 -0.79 1.30 -1.25 0.00 0.00 0.00 175.76 175.07 1hrc s PRO 44 N 2.52 4.39 0.00 0.00 0.04 -1.26 -3.07 135.00 137.62 1hrc s PRO 44 Ca 0.45 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1hrc s PRO 44 Cb -0.17 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1hrc s PRO 44 CO 0.12 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1hrc n GLY 45 N 1.83 0.78 3.61 0.56 0.00 -1.26 -5.06 105.19 105.64 1hrc n GLY 45 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1hrc n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hrc s PHE 46 N -2.40 2.98 -0.41 1.61 5.36 -1.17 -5.06 117.98 118.90 1hrc s PHE 46 Ca 0.00 0.06 -0.16 0.00 -0.96 0.00 0.00 56.93 55.87 1hrc s PHE 46 Cb 0.00 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 40.98 1hrc s PHE 46 CO 0.00 0.37 0.36 0.99 -1.46 0.00 0.00 175.22 175.47 1hrc s THR 47 N -0.84 5.18 0.37 0.12 2.01 -1.26 -4.88 115.64 116.34 1hrc s THR 47 Ca 0.13 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.69 1hrc s THR 47 Cb -0.11 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 1hrc s THR 47 CO 0.02 -0.33 0.56 -0.31 -0.69 0.00 0.00 174.62 173.87 1hrc s TYR 48 N 1.90 3.35 0.75 4.92 2.02 -1.26 -5.08 117.35 123.95 1hrc s TYR 48 Ca 0.09 0.20 -0.12 0.00 -0.37 0.00 0.00 57.07 56.86 1hrc s TYR 48 Cb -0.18 -2.01 0.05 0.00 -0.40 0.00 0.00 41.96 39.42 1hrc s TYR 48 CO 0.12 -0.02 1.11 0.95 -1.57 0.00 0.00 175.55 176.14 1hrc s THR 49 N -2.34 3.08 0.36 -0.71 -4.23 -1.26 -4.87 115.64 105.67 1hrc s THR 49 Ca 0.43 0.41 0.09 0.00 -1.18 0.00 0.00 61.69 61.43 1hrc s THR 49 Cb -0.10 -2.86 0.12 0.00 1.34 0.00 0.00 72.50 71.00 1hrc s THR 49 CO 0.35 -0.40 1.85 0.44 -0.54 0.00 0.00 174.62 176.31 1hrc h ASP 50 N -0.80 0.23 -1.00 3.99 3.32 -1.98 -2.07 116.42 118.11 1hrc h ASP 50 Ca -0.45 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.55 1hrc h ASP 50 Cb 1.24 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 1hrc h ASP 50 CO 0.51 0.47 0.66 0.00 -1.72 0.00 0.00 179.24 179.16 1hrc h ALA 51 N 1.56 1.26 -0.15 3.45 0.00 -1.88 -0.74 119.26 122.77 1hrc h ALA 51 Ca 0.04 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1hrc h ALA 51 Cb 0.52 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1hrc h ALA 51 CO 0.04 0.65 -0.70 -0.97 0.00 0.00 0.00 179.25 178.27 1hrc h ASN 52 N 1.35 0.73 -0.38 0.00 -0.00 -1.81 -1.90 115.58 113.56 1hrc h ASN 52 Ca 0.37 -0.46 -0.05 0.00 -0.00 0.00 0.00 56.30 56.16 1hrc h ASN 52 Cb -0.16 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 37.93 1hrc h ASN 52 CO -0.08 1.22 0.03 0.50 -0.00 0.00 0.00 177.43 179.10 1hrc h LYS 53 N 0.44 0.66 0.00 6.67 3.64 -0.94 -3.10 116.57 123.94 1hrc h LYS 53 Ca -0.03 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1hrc h LYS 53 Cb 1.30 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1hrc h LYS 53 CO 0.14 0.74 -0.21 0.09 -2.27 0.00 0.00 179.45 177.93 1hrc n ASN 54 N -4.50 0.59 -0.29 4.20 3.02 -0.32 -4.41 115.26 113.54 1hrc n ASN 54 Ca -0.01 0.36 0.08 0.00 -0.03 0.00 0.00 54.58 54.98 1hrc n ASN 54 Cb 0.26 -0.38 0.20 0.00 -0.61 0.00 0.00 39.78 39.24 1hrc n ASN 54 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1hrc h LYS 55 N 0.00 0.06 -0.48 3.52 1.63 -1.40 -3.46 116.57 116.45 1hrc h LYS 55 Ca 0.00 -0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1hrc h LYS 55 Cb 0.67 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.24 1hrc h LYS 55 CO 0.00 0.04 -0.14 0.41 -3.45 0.00 0.00 179.45 176.32 1hrc n GLY 56 N -1.46 0.69 3.86 5.01 0.00 -1.26 -5.05 105.19 106.98 1hrc n GLY 56 Ca 0.17 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 1hrc n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hrc s ILE 57 N -2.27 2.81 -0.18 -0.61 -5.25 -1.26 -4.98 121.20 109.47 1hrc s ILE 57 Ca 0.00 -1.37 -0.08 0.00 -0.99 0.00 0.00 60.65 58.21 1hrc s ILE 57 Cb 0.00 -3.03 -0.04 0.00 2.95 0.00 0.00 42.46 42.33 1hrc s ILE 57 CO 0.00 -0.04 0.10 -0.89 -1.79 0.00 0.00 174.94 172.32 1hrc s THR 58 N -2.45 5.11 -0.06 8.37 2.01 -1.26 -2.81 115.64 124.55 1hrc s THR 58 Ca 0.46 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 1hrc s THR 58 Cb -0.03 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.16 1hrc s THR 58 CO 0.27 0.48 0.96 0.26 -0.69 0.00 0.00 174.62 175.90 1hrc s TRP 59 N 0.10 3.58 0.35 4.92 0.52 -0.06 -4.73 118.94 123.63 1hrc s TRP 59 Ca 0.07 1.59 -0.05 0.00 0.02 0.00 0.00 56.10 57.73 1hrc s TRP 59 Cb -0.12 -3.11 0.01 0.00 -1.15 0.00 0.00 33.47 29.10 1hrc s TRP 59 CO -0.00 -0.10 0.54 -1.59 0.02 0.00 0.00 176.95 175.82 1hrc s LYS 60 N 1.46 1.99 0.37 4.98 -2.85 -1.26 -0.58 119.74 123.85 1hrc s LYS 60 Ca 0.49 -1.70 0.08 0.00 -1.00 0.00 0.00 55.97 53.83 1hrc s LYS 60 Cb -0.19 0.48 0.80 0.00 -2.06 0.00 0.00 37.83 36.86 1hrc s LYS 60 CO 0.22 -0.85 1.94 0.93 0.10 0.00 0.00 175.35 177.69 1hrc h GLU 61 N 2.08 0.67 -0.05 1.78 5.08 -1.98 -2.22 114.58 119.94 1hrc h GLU 61 Ca -0.29 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 57.85 1hrc h GLU 61 Cb 1.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1hrc h GLU 61 CO 0.39 0.44 -0.76 0.93 -1.00 0.00 0.00 179.01 179.01 1hrc h GLU 62 N 0.69 0.33 0.06 2.33 4.39 -1.96 0.18 114.58 120.59 1hrc h GLU 62 Ca 0.35 -0.29 -0.24 0.00 0.34 0.00 0.00 59.36 59.52 1hrc h GLU 62 Cb 0.43 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1hrc h GLU 62 CO -0.13 0.95 -1.07 1.79 -1.16 0.00 0.00 179.01 179.39 1hrc h THR 63 N 0.22 1.54 -0.49 1.13 1.35 -1.79 -3.17 112.91 111.69 1hrc h THR 63 Ca -0.03 -2.99 -0.07 0.00 -0.55 0.00 0.00 66.41 62.77 1hrc h THR 63 Cb 1.34 2.76 -0.02 0.00 -1.73 0.00 0.00 68.15 70.51 1hrc h THR 63 CO 0.13 0.87 0.05 -0.07 -0.25 0.00 0.00 175.52 176.25 1hrc h LEU 64 N 0.08 0.81 -0.66 3.87 3.38 -1.37 -2.01 115.31 119.41 1hrc h LEU 64 Ca -0.08 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.68 1hrc h LEU 64 Cb 1.78 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.26 1hrc h LEU 64 CO 0.17 0.88 0.36 0.24 0.09 0.00 0.00 178.44 180.18 1hrc h MET 65 N 0.71 0.64 -0.11 1.13 2.86 -0.66 -1.03 114.93 118.46 1hrc h MET 65 Ca 0.15 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.58 1hrc h MET 65 Cb 0.43 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.96 1hrc h MET 65 CO 0.01 0.42 -0.58 1.49 1.06 0.00 0.00 176.91 179.32 1hrc h GLU 66 N 0.66 0.59 0.65 1.72 4.81 -1.51 -3.24 114.58 118.26 1hrc h GLU 66 Ca 0.30 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1hrc h GLU 66 Cb 0.20 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1hrc h GLU 66 CO -0.19 1.11 -0.50 -0.92 -0.73 0.00 0.00 179.01 177.77 1hrc h TYR 67 N 0.22 -1.37 -0.02 0.92 5.03 -1.19 -2.65 116.97 117.91 1hrc h TYR 67 Ca -0.04 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.27 1hrc h TYR 67 Cb 1.22 0.51 -0.00 0.00 1.55 0.00 0.00 36.73 40.01 1hrc h TYR 67 CO 0.11 -0.71 0.24 -0.07 -1.32 0.00 0.00 178.16 176.41 1hrc h LEU 68 N -1.11 0.00 0.04 2.82 3.38 -1.33 0.21 115.31 119.33 1hrc h LEU 68 Ca -0.08 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.61 1hrc h LEU 68 Cb 0.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1hrc h LEU 68 CO 0.02 0.00 -1.18 -0.08 0.09 0.00 0.00 178.44 177.29 1hrc h GLU 69 N 0.00 0.42 -1.38 1.13 4.81 -1.49 0.49 114.58 118.55 1hrc h GLU 69 Ca 0.01 -0.59 -0.24 0.00 -0.13 0.00 0.00 59.36 58.41 1hrc h GLU 69 Cb 0.49 0.20 -0.23 0.00 0.63 0.00 0.00 28.75 29.84 1hrc h GLU 69 CO -0.00 1.24 -0.59 1.21 -0.73 0.00 0.00 179.01 180.14 1hrc s ASN 70 N -7.24 -0.57 0.24 1.04 3.84 0.47 -4.07 114.94 108.65 1hrc s ASN 70 Ca -0.06 -1.72 -0.06 0.00 0.21 0.00 0.00 52.86 51.22 1hrc s ASN 70 Cb 0.07 1.31 0.42 0.00 -0.55 0.00 0.00 41.25 42.51 1hrc s ASN 70 CO 0.90 -0.13 1.68 1.55 -2.79 0.00 0.00 177.10 178.30 1hrc h PRO 71 N 5.89 0.22 0.00 0.43 0.13 -1.05 -0.86 132.00 136.77 1hrc h PRO 71 Ca 0.09 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1hrc h PRO 71 Cb 1.08 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1hrc h PRO 71 CO 0.12 0.15 -0.21 0.87 -0.23 0.00 0.00 178.00 178.70 1hrc h LYS 72 N 0.23 0.00 -0.05 0.86 1.79 -1.85 0.18 116.57 117.73 1hrc h LYS 72 Ca 0.39 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.65 1hrc h LYS 72 Cb 0.67 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1hrc h LYS 72 CO -0.52 0.21 -0.80 -0.22 -1.08 0.00 0.00 179.45 177.04 1hrc h LYS 73 N 0.00 0.63 -0.05 3.15 1.63 -1.54 -3.00 116.57 117.39 1hrc h LYS 73 Ca -0.00 -0.61 -0.24 0.00 -0.85 0.00 0.00 60.65 58.95 1hrc h LYS 73 Cb 0.58 0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1hrc h LYS 73 CO 0.03 1.22 -0.92 -0.92 -3.45 0.00 0.00 179.45 175.40 1hrc h TYR 74 N 0.27 0.91 -2.73 1.91 3.20 -1.09 -3.39 116.97 116.05 1hrc h TYR 74 Ca -0.08 -0.46 -0.61 0.00 3.14 0.00 0.00 58.73 60.72 1hrc h TYR 74 Cb 1.45 -0.12 -0.40 0.00 1.54 0.00 0.00 36.73 39.20 1hrc h TYR 74 CO 0.11 1.29 -0.75 -0.89 -1.64 0.00 0.00 178.16 176.28 1hrc n ILE 75 N -3.85 0.46 -1.64 1.81 5.41 0.02 -5.09 119.36 116.48 1hrc n ILE 75 Ca -0.08 -4.28 -0.43 0.00 1.00 0.00 0.00 62.75 58.96 1hrc n ILE 75 Cb 0.82 -1.96 -0.03 0.00 -0.71 0.00 0.00 39.64 37.76 1hrc n ILE 75 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1hrc s PRO 76 N -0.89 3.60 0.00 0.38 0.02 -1.13 -0.14 135.00 136.84 1hrc s PRO 76 Ca 0.29 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1hrc s PRO 76 Cb 0.00 -4.27 0.00 0.00 0.02 0.00 0.00 34.50 30.25 1hrc s PRO 76 CO -0.18 -1.57 0.00 0.41 -0.33 0.00 0.00 177.00 175.34 1hrc n GLY 77 N 5.19 0.78 3.71 0.52 0.00 -1.26 -4.78 105.19 109.35 1hrc n GLY 77 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1hrc n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hrc s THR 78 N -2.12 2.17 -2.07 2.61 -1.32 0.80 -4.83 115.64 110.89 1hrc s THR 78 Ca 0.00 0.08 0.21 0.00 -1.21 0.00 0.00 61.69 60.77 1hrc s THR 78 Cb 0.00 -2.63 0.45 0.00 -1.51 0.00 0.00 72.50 68.82 1hrc s THR 78 CO 0.00 -0.05 1.39 2.29 -2.21 0.00 0.00 174.62 176.04 1hrc n LYS 79 N -2.89 2.50 -2.61 7.08 2.85 -1.26 -4.83 118.16 119.01 1hrc n LYS 79 Ca 0.14 -2.31 -0.43 0.00 -1.05 0.00 0.00 58.31 54.66 1hrc n LYS 79 Cb 0.50 -1.48 -0.02 0.00 -0.65 0.00 0.00 35.03 33.38 1hrc n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1hrc s MET 80 N -1.25 3.63 -0.41 -1.58 1.75 -1.26 -4.99 119.30 115.19 1hrc s MET 80 Ca 0.38 0.42 -0.09 0.00 -1.25 0.00 0.00 55.69 55.15 1hrc s MET 80 Cb 0.21 -3.95 0.07 0.00 2.84 0.00 0.00 34.83 34.01 1hrc s MET 80 CO 0.29 -1.49 0.25 0.42 -0.65 0.00 0.00 175.02 173.84 1hrc s ILE 81 N 4.60 4.24 -0.27 10.11 -1.09 -1.26 -4.78 121.20 132.75 1hrc s ILE 81 Ca 0.45 -1.34 -0.19 0.00 -2.23 0.00 0.00 60.65 57.34 1hrc s ILE 81 Cb -0.07 -3.57 0.07 0.00 -1.58 0.00 0.00 42.46 37.31 1hrc s ILE 81 CO 0.29 -0.47 0.67 0.12 -1.23 0.00 0.00 174.94 174.32 1hrc s PHE 82 N 1.43 -0.93 0.31 3.97 2.19 -1.26 -5.08 117.98 118.61 1hrc s PHE 82 Ca 0.03 1.99 0.10 0.00 0.33 0.00 0.00 56.93 59.37 1hrc s PHE 82 Cb -0.22 0.48 0.51 0.00 -1.31 0.00 0.00 43.02 42.47 1hrc s PHE 82 CO 0.02 -0.46 1.71 0.00 1.83 0.00 0.00 175.22 178.32 1hrc h ALA 83 N 6.30 1.15 0.00 11.12 0.00 -1.96 -3.42 119.26 132.45 1hrc h ALA 83 Ca -0.30 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1hrc h ALA 83 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1hrc h ALA 83 CO 0.13 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1hrc n GLY 84 N -0.11 1.18 3.16 0.00 0.00 -1.26 -4.66 105.19 103.50 1hrc n GLY 84 Ca -0.02 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.43 1hrc n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hrc s ILE 85 N -1.28 2.83 0.08 -0.61 1.01 0.16 -5.00 121.20 118.40 1hrc s ILE 85 Ca 0.00 -1.36 -0.33 0.00 0.00 0.00 0.00 60.65 58.96 1hrc s ILE 85 Cb 0.00 -2.60 -0.17 0.00 0.01 0.00 0.00 42.46 39.71 1hrc s ILE 85 CO 0.00 -0.04 1.61 0.07 0.00 0.00 0.00 174.94 176.59 1hrc h LYS 86 N 7.96 -0.85 -6.73 2.79 2.10 -1.87 -3.39 116.57 116.58 1hrc h LYS 86 Ca -0.23 0.06 -0.53 0.00 -2.00 0.00 0.00 60.65 57.95 1hrc h LYS 86 Cb 1.07 0.19 0.05 0.00 -0.90 0.00 0.00 32.23 32.64 1hrc h LYS 86 CO 0.53 -0.57 0.73 0.15 -2.00 0.00 0.00 179.45 178.29 1hrc s LYS 87 N -6.02 4.30 0.04 0.07 -0.14 -1.26 -4.99 119.74 111.75 1hrc s LYS 87 Ca -0.17 2.23 -0.24 0.00 -1.36 0.00 0.00 55.97 56.43 1hrc s LYS 87 Cb 0.04 -3.13 -0.16 0.00 -1.68 0.00 0.00 37.83 32.90 1hrc s LYS 87 CO 0.62 -0.37 1.49 -0.22 -0.76 0.00 0.00 175.35 176.11 1hrc h LYS 88 N 5.11 0.08 -0.29 1.68 3.64 -2.00 -2.78 116.57 122.01 1hrc h LYS 88 Ca -0.46 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 1hrc h LYS 88 Cb 1.22 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1hrc h LYS 88 CO 0.77 0.33 0.19 1.79 -2.27 0.00 0.00 179.45 180.26 1hrc h THR 89 N -0.19 0.98 -0.40 1.00 1.35 -1.99 0.71 112.91 114.38 1hrc h THR 89 Ca 0.01 -0.08 -0.11 0.00 -0.55 0.00 0.00 66.41 65.68 1hrc h THR 89 Cb 0.29 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1hrc h THR 89 CO 0.00 0.04 -0.19 -0.33 -0.25 0.00 0.00 175.52 174.79 1hrc h GLU 90 N 0.24 0.84 -0.51 4.72 5.08 -1.95 0.59 114.58 123.58 1hrc h GLU 90 Ca 0.12 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1hrc h GLU 90 Cb 0.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1hrc h GLU 90 CO -0.02 1.00 0.02 0.00 -1.00 0.00 0.00 179.01 179.01 1hrc h ARG 91 N 0.65 0.84 -0.56 2.33 3.08 -0.89 -1.01 114.38 118.81 1hrc h ARG 91 Ca 0.09 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 1hrc h ARG 91 Cb 0.75 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1hrc h ARG 91 CO 0.06 0.83 0.02 0.93 -1.07 0.00 0.00 179.97 180.75 1hrc h GLU 92 N 0.79 0.98 0.34 0.04 5.08 -0.51 -1.12 114.58 120.18 1hrc h GLU 92 Ca 0.15 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1hrc h GLU 92 Cb 0.45 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1hrc h GLU 92 CO 0.02 0.97 -0.16 -0.44 -1.00 0.00 0.00 179.01 178.40 1hrc h ASP 93 N 0.87 -0.39 -0.89 1.42 5.19 -0.70 -1.71 116.42 120.21 1hrc h ASP 93 Ca 0.16 -0.09 0.09 0.00 -0.62 0.00 0.00 57.03 56.57 1hrc h ASP 93 Cb 0.51 0.10 -0.07 0.00 0.18 0.00 0.00 39.33 40.05 1hrc h ASP 93 CO 0.02 -0.14 0.54 0.25 -3.12 0.00 0.00 179.24 176.79 1hrc h LEU 94 N -0.63 0.81 -0.66 1.55 5.85 -1.07 -1.46 115.31 119.69 1hrc h LEU 94 Ca -0.05 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1hrc h LEU 94 Cb 0.45 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1hrc h LEU 94 CO 0.08 0.47 0.23 0.40 -0.34 0.00 0.00 178.44 179.28 1hrc h ILE 95 N 0.92 1.25 -0.65 4.05 2.04 -1.03 0.03 117.51 124.12 1hrc h ILE 95 Ca 0.42 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 1hrc h ILE 95 Cb 0.32 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1hrc h ILE 95 CO -0.23 0.32 0.18 0.00 0.00 0.00 0.00 178.15 178.43 1hrc h ALA 96 N 1.10 1.10 -0.09 1.87 0.00 -0.61 -1.13 119.26 121.49 1hrc h ALA 96 Ca 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1hrc h ALA 96 Cb 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hrc h ALA 96 CO -0.01 0.61 0.02 -0.92 0.00 0.00 0.00 179.25 178.95 1hrc h TYR 97 N 0.96 0.16 -0.75 0.00 3.20 -0.80 -3.09 116.97 116.65 1hrc h TYR 97 Ca 0.21 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.13 1hrc h TYR 97 Cb 0.30 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 1hrc h TYR 97 CO 0.02 0.34 0.42 -0.07 -1.64 0.00 0.00 178.16 177.23 1hrc h LEU 98 N -0.06 0.62 -0.99 2.82 3.38 -0.70 0.13 115.31 120.52 1hrc h LEU 98 Ca 0.03 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1hrc h LEU 98 Cb 0.26 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1hrc h LEU 98 CO 0.00 0.39 0.64 0.50 0.09 0.00 0.00 178.44 180.06 1hrc h LYS 99 N 0.76 1.16 0.50 1.13 3.64 -1.19 0.45 116.57 123.01 1hrc h LYS 99 Ca 0.34 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1hrc h LYS 99 Cb 0.25 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1hrc h LYS 99 CO -0.21 0.77 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.28 1hrc h LYS 100 N 1.19 -0.64 -0.12 1.90 3.11 -1.41 -3.19 116.57 117.41 1hrc h LYS 100 Ca 0.42 0.04 -0.12 0.00 -2.81 0.00 0.00 60.65 58.18 1hrc h LYS 100 Cb 0.10 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 1hrc h LYS 100 CO -0.15 -0.43 -0.47 0.00 -2.81 0.00 0.00 179.45 175.59 1hrc h ALA 101 N -1.42 0.99 0.00 5.00 0.00 -0.87 -3.09 119.26 119.86 1hrc h ALA 101 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1hrc h ALA 101 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1hrc h ALA 101 CO 0.11 0.64 -0.06 0.25 0.00 0.00 0.00 179.25 180.19 1hrc n THR 102 N -3.98 0.13 0.52 0.00 -2.24 0.16 -3.59 114.28 105.27 1hrc n THR 102 Ca -0.02 -0.07 0.06 0.00 -2.27 0.00 0.00 64.05 61.75 1hrc n THR 102 Cb 0.53 -0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.31 1hrc n THR 102 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1hrc n ASN 103 N -1.67 1.25 0.00 3.42 2.04 -1.21 -0.21 115.26 118.88 1hrc n ASN 103 Ca 0.06 -1.12 0.00 0.00 -0.44 0.00 0.00 54.58 53.08 1hrc n ASN 103 Cb 0.36 0.52 0.00 0.00 -2.53 0.00 0.00 39.78 38.13 1hrc n ASN 103 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20