#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdn s PHE 2 N 0.00 1.66 0.07 1.12 5.36 -0.16 -5.02 117.98 121.01 1hdn s PHE 2 Ca 0.00 -0.62 0.03 0.00 -0.96 0.00 0.00 56.93 55.37 1hdn s PHE 2 Cb 0.00 -1.18 -0.03 0.00 -0.34 0.00 0.00 43.02 41.46 1hdn s PHE 2 CO 0.00 -0.30 -0.09 1.14 -1.46 0.00 0.00 175.22 174.52 1hdn s GLN 3 N 0.57 0.70 -0.01 10.12 -2.07 -1.26 -1.40 119.66 126.32 1hdn s GLN 3 Ca -0.15 -1.00 -0.02 0.00 -1.82 0.00 0.00 55.36 52.37 1hdn s GLN 3 Cb -0.16 -0.38 -0.00 0.00 -1.09 0.00 0.00 33.01 31.38 1hdn s GLN 3 CO 0.05 0.05 0.05 -0.65 -1.32 0.00 0.00 175.29 173.47 1hdn s GLN 4 N -2.39 0.20 -0.10 9.60 -1.52 -0.93 -5.03 119.66 119.48 1hdn s GLN 4 Ca -0.01 -0.17 0.01 0.00 -1.95 0.00 0.00 55.36 53.24 1hdn s GLN 4 Cb -0.05 0.08 -0.02 0.00 -0.22 0.00 0.00 33.01 32.80 1hdn s GLN 4 CO -0.01 -0.04 -0.12 -2.00 -0.25 0.00 0.00 175.29 172.88 1hdn s GLU 5 N -0.58 3.06 -0.11 2.91 2.12 -1.26 -1.46 118.70 123.38 1hdn s GLU 5 Ca -0.06 -0.65 0.02 0.00 0.36 0.00 0.00 54.97 54.63 1hdn s GLU 5 Cb -0.04 -2.58 0.02 0.00 0.26 0.00 0.00 34.13 31.79 1hdn s GLU 5 CO 0.00 0.40 -0.15 0.14 -0.54 0.00 0.00 175.26 175.11 1hdn s VAL 6 N -0.14 1.51 -0.22 3.70 -7.23 0.39 -5.01 120.40 113.41 1hdn s VAL 6 Ca -0.00 -0.64 -0.16 0.00 -1.81 0.00 0.00 61.98 59.37 1hdn s VAL 6 Cb -0.13 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 1hdn s VAL 6 CO 0.03 0.44 0.41 -0.89 -0.31 0.00 0.00 175.10 174.79 1hdn s THR 7 N 1.04 5.17 -0.49 5.32 2.01 -1.26 -0.87 115.64 126.57 1hdn s THR 7 Ca -0.05 0.72 -0.18 0.00 0.31 0.00 0.00 61.69 62.48 1hdn s THR 7 Cb -0.15 -3.74 0.05 0.00 0.01 0.00 0.00 72.50 68.68 1hdn s THR 7 CO -0.03 0.21 0.55 -0.63 -0.69 0.00 0.00 174.62 174.04 1hdn s ILE 8 N 1.57 4.97 -0.18 1.82 -1.09 -1.19 -4.87 121.20 122.24 1hdn s ILE 8 Ca 0.19 -0.57 0.22 0.00 -2.23 0.00 0.00 60.65 58.26 1hdn s ILE 8 Cb -0.15 -4.23 -0.09 0.00 -1.58 0.00 0.00 42.46 36.41 1hdn s ILE 8 CO 0.08 -0.70 0.88 0.35 -1.23 0.00 0.00 174.94 174.33 1hdn n THR 9 N 5.52 0.57 -1.86 2.92 -2.24 -1.26 -2.95 114.28 114.99 1hdn n THR 9 Ca -0.08 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 1hdn n THR 9 Cb 0.45 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 1hdn n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hdn s ALA 10 N -3.33 3.82 0.42 6.98 0.00 -1.26 -4.89 121.76 123.51 1hdn s ALA 10 Ca -0.03 1.46 0.12 0.00 0.00 0.00 0.00 51.96 53.52 1hdn s ALA 10 Cb 0.10 -3.65 0.98 0.00 0.00 0.00 0.00 23.12 20.56 1hdn s ALA 10 CO 0.82 -0.84 1.98 -1.00 0.00 0.00 0.00 175.76 176.71 1hdn h PRO 11 N 6.50 0.45 -0.11 0.00 0.13 -1.99 -1.65 132.00 135.34 1hdn h PRO 11 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1hdn h PRO 11 Cb 1.21 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1hdn h PRO 11 CO 0.91 0.30 0.00 0.27 -0.23 0.00 0.00 178.00 179.25 1hdn n ASN 12 N -4.47 2.06 0.00 1.44 0.23 -1.26 -4.37 115.26 108.89 1hdn n ASN 12 Ca 0.10 -1.62 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 1hdn n ASN 12 Cb 0.34 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 1hdn n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hdn n GLY 13 N 0.31 1.89 2.89 4.83 0.00 -0.62 -3.31 105.19 111.18 1hdn n GLY 13 Ca 0.06 0.38 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 1hdn n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hdn n LEU 14 N 0.00 4.84 0.00 0.99 4.32 0.53 -4.73 117.00 122.96 1hdn n LEU 14 Ca 0.00 -5.25 0.00 0.00 -0.02 0.00 0.00 56.01 50.74 1hdn n LEU 14 Cb 0.00 -1.05 0.00 0.00 -1.62 0.00 0.00 43.42 40.75 1hdn n LEU 14 CO 0.00 1.74 0.00 0.00 -1.22 0.00 0.00 177.39 177.91 1hdn n HIS 15 N 1.58 -0.91 -0.22 -1.77 1.44 -1.21 -4.52 115.22 109.60 1hdn n HIS 15 Ca 0.26 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.96 1hdn n HIS 15 Cb 0.37 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.58 1hdn n HIS 15 CO 0.00 0.00 0.00 1.79 -2.81 0.00 0.00 176.34 175.32 1hdn h THR 16 N -0.44 0.91 -0.12 0.61 1.35 -1.95 -0.86 112.91 112.41 1hdn h THR 16 Ca 0.00 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.63 1hdn h THR 16 Cb 0.00 0.26 -0.00 0.00 -1.73 0.00 0.00 68.15 66.67 1hdn h THR 16 CO 0.00 0.11 -0.02 -0.09 -0.25 0.00 0.00 175.52 175.27 1hdn h ARG 17 N 0.60 0.23 -0.47 4.72 2.43 -1.99 -2.02 114.38 117.88 1hdn h ARG 17 Ca 0.30 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.26 1hdn h ARG 17 Cb 0.25 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1hdn h ARG 17 CO -0.22 0.51 -0.20 -1.35 -1.51 0.00 0.00 179.97 177.20 1hdn h PRO 18 N -0.06 0.96 -0.67 0.20 0.11 -1.86 -3.22 132.00 127.47 1hdn h PRO 18 Ca 0.03 -0.41 0.09 0.00 0.11 0.00 0.00 66.00 65.83 1hdn h PRO 18 Cb 0.41 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.42 1hdn h PRO 18 CO 0.01 1.08 0.30 0.00 -0.21 0.00 0.00 178.00 179.18 1hdn h ALA 19 N 0.86 0.90 -0.94 -0.75 0.00 -1.15 -0.68 119.26 117.50 1hdn h ALA 19 Ca 0.11 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.25 1hdn h ALA 19 Cb 0.78 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 1hdn h ALA 19 CO 0.06 -0.11 0.54 0.00 0.00 0.00 0.00 179.25 179.75 1hdn h ALA 20 N 1.43 1.49 -0.17 0.00 0.00 -1.39 -1.58 119.26 119.03 1hdn h ALA 20 Ca 0.33 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 1hdn h ALA 20 Cb 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hdn h ALA 20 CO -0.29 -0.02 -0.14 0.37 0.00 0.00 0.00 179.25 179.18 1hdn h GLN 21 N 0.74 0.40 -0.01 0.00 4.15 -1.30 -3.34 115.11 115.75 1hdn h GLN 21 Ca 0.52 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.74 1hdn h GLN 21 Cb 0.74 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.43 1hdn h GLN 21 CO -0.36 0.74 0.01 0.35 -1.93 0.00 0.00 178.83 177.64 1hdn h PHE 22 N 0.06 0.02 -0.83 3.99 3.57 -0.44 -2.01 116.94 121.30 1hdn h PHE 22 Ca 0.03 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.65 1hdn h PHE 22 Cb 0.65 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.31 1hdn h PHE 22 CO 0.08 0.06 0.45 -0.24 -2.23 0.00 0.00 178.31 176.42 1hdn h VAL 23 N -0.03 0.82 0.16 1.41 3.04 -1.50 -0.87 116.25 119.28 1hdn h VAL 23 Ca 0.00 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.45 1hdn h VAL 23 Cb 0.05 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.39 1hdn h VAL 23 CO -0.00 0.13 -0.08 0.50 -1.01 0.00 0.00 177.57 177.11 1hdn h LYS 24 N 0.70 -0.20 -0.14 4.17 3.64 -1.49 -0.26 116.57 122.98 1hdn h LYS 24 Ca 0.42 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.84 1hdn h LYS 24 Cb 0.50 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1hdn h LYS 24 CO -0.30 -0.02 -0.01 1.49 -2.27 0.00 0.00 179.45 178.34 1hdn h GLU 25 N -0.35 0.04 -0.99 1.90 4.57 -1.27 -2.63 114.58 115.85 1hdn h GLU 25 Ca -0.02 -0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.26 1hdn h GLU 25 Cb 0.27 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.77 1hdn h GLU 25 CO 0.04 0.03 0.63 0.00 -1.18 0.00 0.00 179.01 178.52 1hdn h ALA 26 N 1.13 1.47 -0.93 2.92 0.00 -1.07 -0.38 119.26 122.39 1hdn h ALA 26 Ca 0.07 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1hdn h ALA 26 Cb 0.09 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1hdn h ALA 26 CO -0.12 0.27 0.60 0.87 0.00 0.00 0.00 179.25 180.87 1hdn h LYS 27 N 1.03 0.88 0.00 0.00 1.57 -0.66 -2.95 116.57 116.44 1hdn h LYS 27 Ca 0.48 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 59.14 1hdn h LYS 27 Cb 0.40 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1hdn h LYS 27 CO -0.24 0.58 -0.32 0.78 -0.57 0.00 0.00 179.45 179.68 1hdn h GLY 28 N 0.91 0.00 -5.27 3.86 0.00 -0.97 -3.42 103.07 98.17 1hdn h GLY 28 Ca 0.44 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.18 1hdn h GLY 28 CO -0.20 0.00 -0.17 -1.36 0.00 0.00 0.00 176.54 174.81 1hdn s PHE 29 N -4.16 3.62 0.08 5.60 0.08 -1.11 -5.01 117.98 117.06 1hdn s PHE 29 Ca -0.03 0.94 -0.16 0.00 0.12 0.00 0.00 56.93 57.81 1hdn s PHE 29 Cb 0.14 -2.43 -0.13 0.00 -0.57 0.00 0.00 43.02 40.03 1hdn s PHE 29 CO 0.70 0.39 1.34 1.79 -0.10 0.00 0.00 175.22 179.34 1hdn h THR 30 N 4.23 1.32 -1.52 0.64 1.35 -1.84 -3.45 112.91 113.66 1hdn h THR 30 Ca -0.46 -1.61 -0.68 0.00 -0.55 0.00 0.00 66.41 63.12 1hdn h THR 30 Cb 1.20 1.84 0.09 0.00 -1.73 0.00 0.00 68.15 69.54 1hdn h THR 30 CO 0.69 0.50 -0.07 -1.20 -0.25 0.00 0.00 175.52 175.19 1hdn n SER 31 N -4.25 0.18 -4.74 5.36 7.64 -1.26 -4.96 113.62 111.59 1hdn n SER 31 Ca -0.06 1.15 -0.40 0.00 1.01 0.00 0.00 58.87 60.57 1hdn n SER 31 Cb 0.53 -1.08 -0.05 0.00 -1.01 0.00 0.00 64.21 62.60 1hdn n SER 31 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1hdn s GLU 32 N -0.70 4.57 -0.42 1.43 2.56 -1.26 -4.93 118.70 119.95 1hdn s GLU 32 Ca 0.71 1.22 -0.05 0.00 0.00 0.00 0.00 54.97 56.85 1hdn s GLU 32 Cb -0.93 -3.38 0.11 0.00 2.00 0.00 0.00 34.13 31.92 1hdn s GLU 32 CO 0.56 0.22 0.23 0.42 -0.56 0.00 0.00 175.26 176.13 1hdn s ILE 33 N 0.08 3.57 -0.26 -3.70 -1.09 -1.26 -4.01 121.20 114.54 1hdn s ILE 33 Ca 0.42 -1.89 -0.16 0.00 -2.23 0.00 0.00 60.65 56.80 1hdn s ILE 33 Cb -0.21 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1hdn s ILE 33 CO 0.26 -0.65 0.41 0.42 -1.23 0.00 0.00 174.94 174.14 1hdn s THR 34 N 1.23 5.16 -0.80 2.92 -4.23 -0.88 -1.39 115.64 117.64 1hdn s THR 34 Ca 0.06 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.08 1hdn s THR 34 Cb -0.23 -3.73 0.19 0.00 1.34 0.00 0.00 72.50 70.06 1hdn s THR 34 CO -0.03 0.16 0.80 -0.69 -0.54 0.00 0.00 174.62 174.32 1hdn s VAL 35 N 1.99 5.37 -1.15 2.29 1.01 0.72 -1.91 120.40 128.72 1hdn s VAL 35 Ca 0.17 -2.12 -0.18 0.00 0.00 0.00 0.00 61.98 59.84 1hdn s VAL 35 Cb -0.16 -4.51 0.10 0.00 0.00 0.00 0.00 36.38 31.81 1hdn s VAL 35 CO 0.09 -1.10 1.51 -0.89 0.00 0.00 0.00 175.10 174.71 1hdn s THR 36 N 0.91 4.37 -0.93 3.92 2.01 -0.18 -2.26 115.64 123.47 1hdn s THR 36 Ca 0.19 -1.74 -0.24 0.00 0.31 0.00 0.00 61.69 60.21 1hdn s THR 36 Cb -0.12 -5.04 0.00 0.00 0.01 0.00 0.00 72.50 67.35 1hdn s THR 36 CO -0.07 -1.84 1.69 -0.55 -0.69 0.00 0.00 174.62 173.16 1hdn s SER 37 N 4.02 5.80 -0.73 3.53 0.15 -0.51 -2.23 113.70 123.72 1hdn s SER 37 Ca 0.46 -0.96 -0.02 0.00 0.70 0.00 0.00 55.95 56.13 1hdn s SER 37 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1hdn s SER 37 CO -0.01 -2.13 0.52 -0.46 1.20 0.00 0.00 173.24 172.36 1hdn n ASN 38 N 11.42 -4.05 0.00 5.45 0.23 -0.59 -1.35 115.26 126.38 1hdn n ASN 38 Ca 0.34 -0.86 0.00 0.00 -0.53 0.00 0.00 54.58 53.53 1hdn n ASN 38 Cb 0.49 -1.36 0.00 0.00 -2.08 0.00 0.00 39.78 36.83 1hdn n ASN 38 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hdn n GLY 39 N -1.51 2.46 3.55 4.83 0.00 -1.26 -4.99 105.19 108.27 1hdn n GLY 39 Ca -0.27 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 1hdn n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hdn s LYS 40 N 0.00 3.07 -0.26 1.61 1.02 -0.46 -4.92 119.74 119.81 1hdn s LYS 40 Ca 0.00 -0.23 -0.26 0.00 0.02 0.00 0.00 55.97 55.50 1hdn s LYS 40 Cb 0.00 -4.58 0.00 0.00 -0.52 0.00 0.00 37.83 32.73 1hdn s LYS 40 CO 0.00 -2.44 0.89 -1.54 -0.92 0.00 0.00 175.35 171.34 1hdn s SER 41 N 5.52 6.87 0.02 2.83 1.04 -1.26 -1.43 113.70 127.29 1hdn s SER 41 Ca 0.49 1.05 0.01 0.00 0.48 0.00 0.00 55.95 57.98 1hdn s SER 41 Cb -0.07 -2.46 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1hdn s SER 41 CO 0.09 -0.59 -0.05 0.00 0.98 0.00 0.00 173.24 173.67 1hdn s ALA 42 N 3.00 0.36 0.27 5.32 0.00 -0.96 -4.89 121.76 124.86 1hdn s ALA 42 Ca 0.37 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 1hdn s ALA 42 Cb -0.15 0.03 -0.11 0.00 0.00 0.00 0.00 23.12 22.89 1hdn s ALA 42 CO 0.08 -0.02 1.55 0.45 0.00 0.00 0.00 175.76 177.82 1hdn s SER 43 N -1.01 6.48 0.11 0.00 0.15 -1.26 -0.20 113.70 117.97 1hdn s SER 43 Ca -0.07 2.84 -0.13 0.00 0.70 0.00 0.00 55.95 59.28 1hdn s SER 43 Cb -0.07 -2.63 -0.10 0.00 -1.71 0.00 0.00 66.02 61.52 1hdn s SER 43 CO -0.00 -0.84 1.40 0.00 1.20 0.00 0.00 173.24 174.99 1hdn h ALA 44 N 5.11 0.43 -0.83 5.45 0.00 -1.61 -2.82 119.26 124.99 1hdn h ALA 44 Ca -0.46 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 53.98 1hdn h ALA 44 Cb 1.22 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1hdn h ALA 44 CO 0.80 0.56 0.54 0.87 0.00 0.00 0.00 179.25 182.03 1hdn h LYS 45 N 0.54 1.10 -6.08 0.00 1.57 -1.83 -3.30 116.57 108.58 1hdn h LYS 45 Ca 0.02 -0.07 -0.50 0.00 -1.87 0.00 0.00 60.65 58.23 1hdn h LYS 45 Cb 1.04 -0.25 -0.07 0.00 0.08 0.00 0.00 32.23 33.03 1hdn h LYS 45 CO 0.10 0.74 1.20 0.45 -0.57 0.00 0.00 179.45 181.37 1hdn s SER 46 N -6.29 5.92 0.49 0.86 0.15 -1.24 -4.87 113.70 108.72 1hdn s SER 46 Ca -0.12 -0.71 0.25 0.00 0.70 0.00 0.00 55.95 56.07 1hdn s SER 46 Cb 0.18 -2.56 1.30 0.00 -1.71 0.00 0.00 66.02 63.23 1hdn s SER 46 CO 0.80 -2.00 1.89 0.25 1.20 0.00 0.00 173.24 175.38 1hdn h LEU 47 N 14.50 0.18 0.16 3.45 5.85 -1.82 0.66 115.31 138.28 1hdn h LEU 47 Ca -0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1hdn h LEU 47 Cb 1.05 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1hdn h LEU 47 CO 1.31 0.07 -0.30 0.15 -0.34 0.00 0.00 178.44 179.32 1hdn h PHE 48 N 0.18 -0.87 -0.20 1.25 3.57 -1.91 -0.81 116.94 118.15 1hdn h PHE 48 Ca 0.42 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 1hdn h PHE 48 Cb 1.38 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 1hdn h PHE 48 CO -0.00 -0.37 0.07 0.87 -2.23 0.00 0.00 178.31 176.65 1hdn h LYS 49 N -0.50 0.31 -0.65 1.11 1.57 -1.66 -2.19 116.57 114.56 1hdn h LYS 49 Ca -0.02 -0.06 0.13 0.00 -1.87 0.00 0.00 60.65 58.82 1hdn h LYS 49 Cb 0.47 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.64 1hdn h LYS 49 CO -0.12 0.40 0.15 1.25 -0.57 0.00 0.00 179.45 180.57 1hdn h LEU 50 N 0.16 0.03 -0.09 2.94 5.85 -0.61 -2.92 115.31 120.67 1hdn h LEU 50 Ca 0.07 0.12 -0.21 0.00 0.84 0.00 0.00 57.88 58.69 1hdn h LEU 50 Cb 0.22 0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.42 1hdn h LEU 50 CO -0.00 0.01 -0.77 1.56 -0.34 0.00 0.00 178.44 178.89 1hdn h GLN 51 N 0.28 0.69 -2.26 1.25 1.08 -1.07 -3.29 115.11 111.79 1hdn h GLN 51 Ca 0.35 -0.61 -0.44 0.00 -1.45 0.00 0.00 58.65 56.49 1hdn h GLN 51 Cb 0.54 0.14 -0.09 0.00 -0.05 0.00 0.00 27.48 28.02 1hdn h GLN 51 CO -0.43 1.22 0.98 -2.37 -0.95 0.00 0.00 178.83 177.28 1hdn n THR 52 N -4.01 3.65 -3.69 -0.54 5.66 -0.83 -4.79 114.28 109.73 1hdn n THR 52 Ca -0.09 -2.53 -0.12 0.00 -3.05 0.00 0.00 64.05 58.26 1hdn n THR 52 Cb 0.74 -2.00 -0.09 0.00 -1.55 0.00 0.00 70.33 67.44 1hdn n THR 52 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1hdn s LEU 53 N -0.92 -0.17 -0.40 1.09 2.96 -1.22 -4.95 118.68 115.07 1hdn s LEU 53 Ca 0.63 1.09 -0.28 0.00 -0.22 0.00 0.00 54.13 55.35 1hdn s LEU 53 Cb 0.30 1.78 -0.01 0.00 0.50 0.00 0.00 46.19 48.76 1hdn s LEU 53 CO -0.09 -0.19 1.68 -0.83 -1.32 0.00 0.00 176.35 175.59 1hdn s GLY 54 N 0.75 0.81 -0.21 7.98 0.00 -1.26 -4.90 107.32 110.49 1hdn s GLY 54 Ca -0.04 -0.02 0.15 0.00 0.00 0.00 0.00 44.72 44.81 1hdn s GLY 54 CO -0.06 3.12 1.18 1.04 0.00 0.00 0.00 173.10 178.39 1hdn n LEU 55 N 10.16 2.86 -4.77 0.66 4.77 -1.26 -4.78 117.00 124.64 1hdn n LEU 55 Ca 0.20 -3.64 -0.33 0.00 -0.03 0.00 0.00 56.01 52.22 1hdn n LEU 55 Cb 0.48 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 1hdn n LEU 55 CO 0.69 1.38 -0.24 0.28 -1.33 0.00 0.00 177.39 178.18 1hdn s THR 56 N -3.17 1.20 0.35 -5.08 -1.32 -1.26 -0.34 115.64 106.01 1hdn s THR 56 Ca 0.39 -1.97 -0.28 0.00 -1.21 0.00 0.00 61.69 58.62 1hdn s THR 56 Cb 0.38 -2.16 -0.12 0.00 -1.51 0.00 0.00 72.50 69.08 1hdn s THR 56 CO -0.05 0.00 1.37 0.00 -2.21 0.00 0.00 174.62 173.73 1hdn n GLN 57 N -1.30 2.32 -0.00 7.08 10.64 -1.22 -2.73 117.38 132.18 1hdn n GLN 57 Ca -0.18 0.82 0.00 0.00 -1.83 0.00 0.00 57.00 55.81 1hdn n GLN 57 Cb 0.67 -2.46 0.00 0.00 -0.86 0.00 0.00 30.24 27.59 1hdn n GLN 57 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1hdn n GLY 58 N 0.79 0.98 3.63 2.61 0.00 -1.15 -5.03 105.19 107.02 1hdn n GLY 58 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1hdn n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hdn s THR 59 N -2.33 4.94 -0.08 2.61 2.01 -1.10 -5.05 115.64 116.64 1hdn s THR 59 Ca 0.00 0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.85 1hdn s THR 59 Cb 0.00 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 1hdn s THR 59 CO 0.00 0.41 0.47 0.54 -0.69 0.00 0.00 174.62 175.35 1hdn s VAL 60 N 0.69 5.12 -0.03 3.82 0.11 -1.26 -3.14 120.40 125.71 1hdn s VAL 60 Ca 0.05 0.95 0.05 0.00 -2.93 0.00 0.00 61.98 60.11 1hdn s VAL 60 Cb -0.13 -3.80 -0.01 0.00 -1.53 0.00 0.00 36.38 30.91 1hdn s VAL 60 CO 0.02 0.39 -0.19 0.54 -3.33 0.00 0.00 175.10 172.53 1hdn s VAL 61 N 0.15 1.52 -0.18 2.04 0.11 -0.05 -1.54 120.40 122.46 1hdn s VAL 61 Ca 0.26 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.48 1hdn s VAL 61 Cb -0.16 -1.28 -0.02 0.00 -1.53 0.00 0.00 36.38 33.40 1hdn s VAL 61 CO 0.12 0.43 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.38 1hdn s THR 62 N -0.25 3.62 -0.44 5.04 2.01 -0.95 -0.46 115.64 124.22 1hdn s THR 62 Ca 0.02 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 1hdn s THR 62 Cb -0.09 -2.60 0.04 0.00 0.01 0.00 0.00 72.50 69.86 1hdn s THR 62 CO 0.01 0.47 0.38 -0.63 -0.69 0.00 0.00 174.62 174.15 1hdn s ILE 63 N 0.76 5.20 -0.09 1.82 -1.09 -0.53 -1.01 121.20 126.25 1hdn s ILE 63 Ca -0.02 -0.74 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1hdn s ILE 63 Cb -0.15 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 1hdn s ILE 63 CO 0.02 -0.46 -0.12 -0.55 -1.23 0.00 0.00 174.94 172.60 1hdn s SER 64 N 2.09 4.13 0.02 3.58 0.15 -0.80 -2.20 113.70 120.67 1hdn s SER 64 Ca 0.06 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1hdn s SER 64 Cb -0.21 -1.25 -0.01 0.00 -1.71 0.00 0.00 66.02 62.84 1hdn s SER 64 CO 0.10 0.26 -0.03 0.00 1.20 0.00 0.00 173.24 174.77 1hdn s ALA 65 N -0.22 0.18 -0.02 5.45 0.00 -0.49 -2.07 121.76 124.59 1hdn s ALA 65 Ca 0.01 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1hdn s ALA 65 Cb -0.13 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1hdn s ALA 65 CO 0.03 -0.08 -0.11 -1.83 0.00 0.00 0.00 175.76 173.77 1hdn s GLU 66 N -1.01 0.99 0.81 0.00 -1.05 -1.26 -0.99 118.70 116.20 1hdn s GLU 66 Ca -0.10 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 1hdn s GLU 66 Cb -0.07 -0.94 0.00 0.00 -0.44 0.00 0.00 34.13 32.68 1hdn s GLU 66 CO -0.00 0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.83 1hdn n GLY 67 N 2.95 0.22 0.22 -3.83 0.00 -1.26 -4.04 105.19 99.44 1hdn n GLY 67 Ca -0.15 -1.59 -0.01 0.00 0.00 0.00 0.00 46.02 44.27 1hdn n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hdn h GLU 68 N 0.00 0.09 -0.67 1.61 5.08 -1.99 -2.07 114.58 116.62 1hdn h GLU 68 Ca 0.00 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1hdn h GLU 68 Cb 0.00 -0.02 -0.22 0.00 0.50 0.00 0.00 28.75 29.01 1hdn h GLU 68 CO 0.00 0.06 0.23 -0.25 -1.00 0.00 0.00 179.01 178.05 1hdn n ASP 69 N -5.29 3.59 -0.03 1.42 8.00 -1.26 -4.77 116.55 118.21 1hdn n ASP 69 Ca 0.07 -3.73 -0.10 0.00 0.71 0.00 0.00 54.79 51.74 1hdn n ASP 69 Cb 0.31 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.64 1hdn n ASP 69 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1hdn h GLU 70 N 1.17 0.23 0.43 -1.24 4.11 -1.61 -0.96 114.58 116.71 1hdn h GLU 70 Ca 0.42 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.81 1hdn h GLU 70 Cb 2.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1hdn h GLU 70 CO 0.79 0.17 -0.20 1.96 0.07 0.00 0.00 179.01 181.80 1hdn h GLN 71 N 0.23 -0.55 -0.52 1.06 4.20 -1.86 -3.31 115.11 114.36 1hdn h GLN 71 Ca 0.06 0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.92 1hdn h GLN 71 Cb -0.01 0.13 -0.10 0.00 0.30 0.00 0.00 27.48 27.80 1hdn h GLN 71 CO -0.01 -0.37 -0.16 -0.22 -0.67 0.00 0.00 178.83 177.40 1hdn h LYS 72 N -1.01 -0.04 0.25 1.46 3.64 -1.91 -2.01 116.57 116.96 1hdn h LYS 72 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1hdn h LYS 72 Cb 0.44 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1hdn h LYS 72 CO 0.10 -0.02 -0.28 0.00 -2.27 0.00 0.00 179.45 176.97 1hdn h ALA 73 N 1.43 -0.57 -0.10 5.00 0.00 -1.34 -2.85 119.26 120.83 1hdn h ALA 73 Ca 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1hdn h ALA 73 Cb 0.42 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1hdn h ALA 73 CO -0.55 -0.85 -0.04 0.28 0.00 0.00 0.00 179.25 178.08 1hdn h VAL 74 N -0.58 1.31 -0.77 0.00 2.07 -1.50 -1.26 116.25 115.52 1hdn h VAL 74 Ca -0.00 -1.01 0.16 0.00 0.82 0.00 0.00 66.70 66.67 1hdn h VAL 74 Cb 0.54 1.77 -0.14 0.00 -1.52 0.00 0.00 31.29 31.94 1hdn h VAL 74 CO -0.08 0.29 -0.12 -0.08 0.02 0.00 0.00 177.57 177.60 1hdn h GLU 75 N -0.14 0.03 0.39 1.57 4.81 -1.44 0.17 114.58 119.96 1hdn h GLU 75 Ca 0.02 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1hdn h GLU 75 Cb 0.47 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1hdn h GLU 75 CO 0.01 0.02 -0.19 1.25 -0.73 0.00 0.00 179.01 179.38 1hdn h HIS 76 N 0.03 -0.48 -0.02 0.92 2.76 -1.33 -2.91 115.15 114.11 1hdn h HIS 76 Ca 0.39 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.56 1hdn h HIS 76 Cb 0.64 0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.76 1hdn h HIS 76 CO -0.54 -0.15 0.02 -0.07 -1.30 0.00 0.00 177.93 175.88 1hdn h LEU 77 N -0.87 0.00 -0.05 0.26 3.38 -0.48 -1.54 115.31 116.02 1hdn h LEU 77 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1hdn h LEU 77 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1hdn h LEU 77 CO 0.09 0.00 -0.36 0.58 0.09 0.00 0.00 178.44 178.83 1hdn h VAL 78 N 0.00 1.44 -0.94 1.22 2.07 -0.77 -3.21 116.25 116.06 1hdn h VAL 78 Ca 0.01 -1.82 0.17 0.00 0.82 0.00 0.00 66.70 65.89 1hdn h VAL 78 Cb 0.05 2.43 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 1hdn h VAL 78 CO -0.00 0.52 0.60 0.11 0.02 0.00 0.00 177.57 178.82 1hdn h LYS 79 N -0.19 0.64 -0.55 1.57 1.57 -1.17 -2.41 116.57 116.03 1hdn h LYS 79 Ca -0.03 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1hdn h LYS 79 Cb 1.04 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1hdn h LYS 79 CO 0.07 0.43 0.37 -0.07 -0.57 0.00 0.00 179.45 179.68 1hdn h LEU 80 N 0.66 0.35 -2.21 2.94 3.38 -1.31 -1.15 115.31 117.98 1hdn h LEU 80 Ca 0.50 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 1hdn h LEU 80 Cb 0.89 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1hdn h LEU 80 CO -0.26 0.22 -0.06 0.24 0.09 0.00 0.00 178.44 178.67 1hdn h MET 81 N 0.40 0.00 0.03 1.13 2.86 -1.50 0.36 114.93 118.21 1hdn h MET 81 Ca 0.25 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.63 1hdn h MET 81 Cb 0.47 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1hdn h MET 81 CO -0.07 0.06 -1.36 0.00 1.06 0.00 0.00 176.91 176.60 1hdn h ALA 82 N 1.94 0.46 0.04 6.32 0.00 -1.35 -3.40 119.26 123.27 1hdn h ALA 82 Ca -0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 54.91 53.45 1hdn h ALA 82 Cb 0.18 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1hdn h ALA 82 CO 0.01 1.32 -1.88 0.39 0.00 0.00 0.00 179.25 179.09 1hdn n GLU 83 N -3.28 0.67 -3.02 0.00 1.02 -1.05 -5.01 120.64 109.98 1hdn n GLU 83 Ca -0.10 0.26 -0.38 0.00 -0.02 0.00 0.00 57.16 56.92 1hdn n GLU 83 Cb 1.00 -1.74 -0.06 0.00 -0.02 0.00 0.00 31.44 30.63 1hdn n GLU 83 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hdn s LEU 84 N -6.33 4.47 0.00 -4.62 1.43 0.09 -5.11 118.68 108.61 1hdn s LEU 84 Ca -0.11 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1hdn s LEU 84 Cb 0.07 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1hdn s LEU 84 CO 0.80 0.12 0.00 1.21 0.23 0.00 0.00 176.35 178.71