#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 2.00 -0.02 1.12 2.19 -0.90 -5.02 117.98 117.34 1hdn s PHE 2 Ca 0.00 -0.85 0.06 0.00 0.33 0.00 0.00 56.93 56.47 1hdn s PHE 2 Cb 0.00 -1.40 -0.01 0.00 -1.31 0.00 0.00 43.02 40.30 1hdn s PHE 2 CO 0.00 -0.40 -0.20 1.14 1.83 0.00 0.00 175.22 177.60 1hdn s GLN 3 N 0.68 1.69 -0.00 10.12 -2.07 -1.26 -0.88 119.66 127.94 1hdn s GLN 3 Ca -0.13 -0.70 0.04 0.00 -1.82 0.00 0.00 55.36 52.75 1hdn s GLN 3 Cb -0.16 -1.59 -0.01 0.00 -1.09 0.00 0.00 33.01 30.16 1hdn s GLN 3 CO 0.03 0.39 -0.14 -0.65 -1.32 0.00 0.00 175.29 173.61 1hdn s GLN 4 N -0.35 1.07 -0.27 9.60 -1.52 -0.12 -5.00 119.66 123.07 1hdn s GLN 4 Ca 0.05 -0.52 -0.12 0.00 -1.95 0.00 0.00 55.36 52.82 1hdn s GLN 4 Cb -0.09 -1.04 -0.05 0.00 -0.22 0.00 0.00 33.01 31.61 1hdn s GLN 4 CO 0.00 0.28 0.24 -2.00 -0.25 0.00 0.00 175.29 173.56 1hdn s GLU 5 N -0.43 3.99 0.05 2.91 2.12 -1.26 -0.62 118.70 125.46 1hdn s GLU 5 Ca 0.05 -0.21 0.08 0.00 0.36 0.00 0.00 54.97 55.25 1hdn s GLU 5 Cb -0.06 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.67 1hdn s GLU 5 CO -0.00 -0.17 -0.22 0.14 -0.54 0.00 0.00 175.26 174.46 1hdn s VAL 6 N 1.74 1.81 -0.03 3.70 -7.23 -0.21 -5.00 120.40 115.18 1hdn s VAL 6 Ca 0.09 -1.27 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1hdn s VAL 6 Cb -0.16 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 1hdn s VAL 6 CO 0.10 0.25 0.05 0.42 -0.31 0.00 0.00 175.10 175.61 1hdn s THR 7 N -0.81 4.59 -0.10 5.32 -4.23 -1.26 -1.08 115.64 118.07 1hdn s THR 7 Ca 0.09 -0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.24 1hdn s THR 7 Cb -0.09 -3.05 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 1hdn s THR 7 CO 0.02 0.43 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.75 1hdn s ILE 8 N -1.10 2.99 -0.04 2.99 -1.09 -1.26 -4.99 121.20 118.71 1hdn s ILE 8 Ca 0.20 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1hdn s ILE 8 Cb -0.12 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.52 1hdn s ILE 8 CO 0.10 0.55 -0.04 0.35 -1.23 0.00 0.00 174.94 174.67 1hdn n THR 9 N 3.14 0.23 -1.52 2.92 -2.24 -1.26 -1.07 114.28 114.47 1hdn n THR 9 Ca -0.18 -0.08 -0.54 0.00 -2.27 0.00 0.00 64.05 60.98 1hdn n THR 9 Cb 0.53 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 1hdn n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hdn n ALA 10 N -2.68 -2.34 -0.27 6.98 0.00 -1.26 -4.65 120.51 116.29 1hdn n ALA 10 Ca -0.07 0.53 -0.02 0.00 0.00 0.00 0.00 53.44 53.88 1hdn n ALA 10 Cb 0.57 -1.86 0.10 0.00 0.00 0.00 0.00 19.45 18.26 1hdn n ALA 10 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1hdn h PRO 11 N 3.10 0.89 -0.22 0.00 0.13 -1.96 -2.08 132.00 131.86 1hdn h PRO 11 Ca -0.45 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.50 1hdn h PRO 11 Cb 1.39 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1hdn h PRO 11 CO 0.68 0.59 -0.39 -2.95 -0.23 0.00 0.00 178.00 175.69 1hdn h ASN 12 N 0.92 0.53 -4.87 1.44 -1.07 -1.91 -3.36 115.58 107.24 1hdn h ASN 12 Ca 0.31 -0.23 0.00 0.00 0.07 0.00 0.00 56.30 56.46 1hdn h ASN 12 Cb 0.06 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.16 1hdn h ASN 12 CO -0.13 0.87 -0.44 0.61 0.07 0.00 0.00 177.43 178.41 1hdn n GLY 13 N -0.07 -1.40 2.62 9.14 0.00 -0.79 -4.42 105.19 110.26 1hdn n GLY 13 Ca -0.01 0.98 -0.01 0.00 0.00 0.00 0.00 46.02 46.97 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 -0.27 -7.30 0.00 0.99 4.77 -1.26 -4.17 117.00 109.76 1hdn n LEU 14 Ca 0.09 1.57 0.00 0.00 -0.03 0.00 0.00 56.01 57.64 1hdn n LEU 14 Cb 0.35 -3.22 0.00 0.00 -2.33 0.00 0.00 43.42 38.22 1hdn n LEU 14 CO 0.39 -3.25 0.00 0.00 -1.33 0.00 0.00 177.39 173.20 1hdn n HIS 15 N 0.89 -1.97 -0.29 -1.77 1.44 -1.26 -4.45 115.22 107.80 1hdn n HIS 15 Ca -0.10 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.72 1hdn n HIS 15 Cb 0.15 0.00 0.24 0.00 0.12 0.00 0.00 29.99 30.50 1hdn n HIS 15 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 1hdn h THR 16 N -0.98 0.25 0.19 0.61 2.02 -1.96 -1.99 112.91 111.04 1hdn h THR 16 Ca 0.00 -0.04 -0.25 0.00 0.77 0.00 0.00 66.41 66.89 1hdn h THR 16 Cb 0.00 0.12 0.03 0.00 -1.74 0.00 0.00 68.15 66.55 1hdn h THR 16 CO 0.00 0.02 -1.13 0.03 0.37 0.00 0.00 175.52 174.81 1hdn h ARG 17 N 0.12 0.39 -0.45 6.66 3.08 -1.95 -2.82 114.38 119.41 1hdn h ARG 17 Ca 0.51 -0.67 0.08 0.00 0.07 0.00 0.00 59.98 59.97 1hdn h ARG 17 Cb 1.01 0.25 -0.07 0.00 0.08 0.00 0.00 29.97 31.24 1hdn h ARG 17 CO -0.73 1.32 0.03 -1.35 -1.07 0.00 0.00 179.97 178.17 1hdn h PRO 18 N -0.16 0.14 -0.42 0.04 0.11 -1.83 -2.41 132.00 127.47 1hdn h PRO 18 Ca -0.20 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.96 1hdn h PRO 18 Cb 1.87 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.90 1hdn h PRO 18 CO 0.20 0.09 0.13 0.00 -0.21 0.00 0.00 178.00 178.21 1hdn h ALA 19 N 1.39 0.48 -0.96 -0.75 0.00 -1.45 -2.27 119.26 115.70 1hdn h ALA 19 Ca 0.23 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1hdn h ALA 19 Cb 0.32 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1hdn h ALA 19 CO -0.35 -0.27 0.62 0.00 0.00 0.00 0.00 179.25 179.25 1hdn h ALA 20 N 1.29 1.44 0.06 0.00 0.00 -1.22 -2.54 119.26 118.29 1hdn h ALA 20 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1hdn h ALA 20 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1hdn h ALA 20 CO -0.22 0.42 -0.03 1.96 0.00 0.00 0.00 179.25 181.38 1hdn h GLN 21 N 1.12 -0.08 -0.94 0.00 4.20 -0.93 -2.79 115.11 115.70 1hdn h GLN 21 Ca 0.41 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.26 1hdn h GLN 21 Cb 0.16 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.87 1hdn h GLN 21 CO -0.15 0.04 0.56 0.74 -0.67 0.00 0.00 178.83 179.34 1hdn h PHE 22 N -0.19 1.00 0.99 2.96 0.04 -1.05 -0.48 116.94 120.21 1hdn h PHE 22 Ca -0.01 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 1hdn h PHE 22 Cb 0.16 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.01 1hdn h PHE 22 CO -0.04 0.34 -0.48 0.28 -0.60 0.00 0.00 178.31 177.81 1hdn h VAL 23 N 0.84 0.01 -0.46 -0.55 2.07 -1.42 0.42 116.25 117.15 1hdn h VAL 23 Ca 0.48 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 68.07 1hdn h VAL 23 Cb 0.57 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 1hdn h VAL 23 CO -0.30 0.00 0.05 0.50 0.02 0.00 0.00 177.57 177.84 1hdn h LYS 24 N -1.35 0.17 -0.25 1.57 3.64 -1.12 0.01 116.57 119.23 1hdn h LYS 24 Ca -0.14 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1hdn h LYS 24 Cb 1.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1hdn h LYS 24 CO 0.22 0.11 -0.01 1.49 -2.27 0.00 0.00 179.45 179.00 1hdn h GLU 25 N 0.17 0.44 -0.23 1.90 4.57 -1.00 0.36 114.58 120.80 1hdn h GLU 25 Ca 0.23 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1hdn h GLU 25 Cb 0.32 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1hdn h GLU 25 CO -0.34 0.62 -0.05 0.00 -1.18 0.00 0.00 179.01 178.06 1hdn h ALA 26 N 0.81 1.49 -0.28 2.92 0.00 -0.79 0.11 119.26 123.51 1hdn h ALA 26 Ca 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1hdn h ALA 26 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1hdn h ALA 26 CO 0.01 0.36 0.00 0.87 0.00 0.00 0.00 179.25 180.50 1hdn h LYS 27 N 0.34 0.49 -0.40 0.00 1.57 -0.75 -3.33 116.57 114.47 1hdn h LYS 27 Ca 0.07 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1hdn h LYS 27 Cb 0.32 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1hdn h LYS 27 CO 0.01 0.64 0.23 0.78 -0.57 0.00 0.00 179.45 180.54 1hdn h GLY 28 N 0.27 0.59 -2.53 3.86 0.00 -0.19 -3.43 103.07 101.65 1hdn h GLY 28 Ca 0.08 -0.26 -0.53 0.00 0.00 0.00 0.00 47.33 46.62 1hdn h GLY 28 CO 0.01 0.25 0.52 -1.36 0.00 0.00 0.00 176.54 175.96 1hdn s PHE 29 N -5.91 2.54 0.01 5.60 0.08 0.31 -5.02 117.98 115.59 1hdn s PHE 29 Ca -0.13 1.48 -0.25 0.00 0.12 0.00 0.00 56.93 58.15 1hdn s PHE 29 Cb 0.10 -3.53 -0.16 0.00 -0.57 0.00 0.00 43.02 38.86 1hdn s PHE 29 CO 0.73 -2.14 1.16 1.79 -0.10 0.00 0.00 175.22 176.67 1hdn h THR 30 N 1.43 0.43 -2.33 0.64 1.35 -1.83 -3.46 112.91 109.14 1hdn h THR 30 Ca -0.50 -0.50 -0.61 0.00 -0.55 0.00 0.00 66.41 64.26 1hdn h THR 30 Cb 1.28 0.62 0.14 0.00 -1.73 0.00 0.00 68.15 68.46 1hdn h THR 30 CO 0.58 0.07 -0.34 -1.20 -0.25 0.00 0.00 175.52 174.37 1hdn n SER 31 N -5.22 -0.65 -4.63 5.36 7.64 -1.26 -4.97 113.62 109.88 1hdn n SER 31 Ca -0.10 0.94 -0.43 0.00 1.01 0.00 0.00 58.87 60.29 1hdn n SER 31 Cb 0.30 -1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 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 -1.58 4.06 -0.35 1.43 2.56 -1.26 -4.87 118.70 118.69 1hdn s GLU 32 Ca 0.63 0.95 -0.18 0.00 0.00 0.00 0.00 54.97 56.37 1hdn s GLU 32 Cb -0.62 -3.72 -0.00 0.00 2.00 0.00 0.00 34.13 31.79 1hdn s GLU 32 CO 0.58 -0.78 0.48 0.42 -0.56 0.00 0.00 175.26 175.40 1hdn s ILE 33 N 3.34 5.05 -0.22 -3.70 -1.09 -1.26 -3.48 121.20 119.83 1hdn s ILE 33 Ca 0.41 0.24 -0.25 0.00 -2.23 0.00 0.00 60.65 58.81 1hdn s ILE 33 Cb -0.13 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.80 1hdn s ILE 33 CO 0.13 -0.21 0.86 0.42 -1.23 0.00 0.00 174.94 174.91 1hdn s THR 34 N 2.31 4.82 -0.78 2.92 -4.23 0.12 -1.48 115.64 119.32 1hdn s THR 34 Ca 0.17 1.65 -0.05 0.00 -1.18 0.00 0.00 61.69 62.28 1hdn s THR 34 Cb -0.16 -4.15 0.20 0.00 1.34 0.00 0.00 72.50 69.73 1hdn s THR 34 CO 0.13 -0.06 0.65 -0.69 -0.54 0.00 0.00 174.62 174.11 1hdn s VAL 35 N 2.72 4.41 -0.87 2.29 1.01 0.30 -1.09 120.40 129.17 1hdn s VAL 35 Ca 0.37 -3.19 -0.17 0.00 0.00 0.00 0.00 61.98 58.99 1hdn s VAL 35 Cb -0.16 -3.78 0.16 0.00 0.00 0.00 0.00 36.38 32.61 1hdn s VAL 35 CO 0.08 -0.99 0.96 -0.89 0.00 0.00 0.00 175.10 174.26 1hdn s THR 36 N -0.51 5.09 -0.73 3.92 2.01 -0.29 -1.14 115.64 123.99 1hdn s THR 36 Ca 0.21 -1.90 -0.26 0.00 0.31 0.00 0.00 61.69 60.05 1hdn s THR 36 Cb -0.14 -4.64 0.01 0.00 0.01 0.00 0.00 72.50 67.75 1hdn s THR 36 CO -0.07 -1.29 1.52 -0.94 -0.69 0.00 0.00 174.62 173.14 1hdn s SER 37 N 3.04 5.85 -0.25 3.53 1.04 -0.80 -1.53 113.70 124.58 1hdn s SER 37 Ca 0.26 -0.30 -0.07 0.00 0.48 0.00 0.00 55.95 56.31 1hdn s SER 37 Cb -0.08 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.50 1hdn s SER 37 CO -0.08 -2.03 0.14 -0.46 0.98 0.00 0.00 173.24 171.78 1hdn n ASN 38 N 10.66 -0.84 0.00 7.02 6.94 -0.03 -0.70 115.26 138.31 1hdn n ASN 38 Ca 0.13 -0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.42 1hdn n ASN 38 Cb 0.50 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1hdn n ASN 38 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hdn n GLY 39 N -1.17 2.14 3.54 4.83 0.00 -1.26 -5.07 105.19 108.20 1hdn n GLY 39 Ca -0.02 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 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 3.30 -0.95 1.61 1.02 0.12 -4.96 119.74 119.88 1hdn s LYS 40 Ca 0.00 -0.60 -0.24 0.00 0.02 0.00 0.00 55.97 55.15 1hdn s LYS 40 Cb 0.00 -4.53 -0.01 0.00 -0.52 0.00 0.00 37.83 32.77 1hdn s LYS 40 CO 0.00 -2.11 1.78 -1.12 -0.92 0.00 0.00 175.35 172.97 1hdn s SER 41 N 4.06 5.61 0.47 2.83 0.01 -1.26 -1.91 113.70 123.51 1hdn s SER 41 Ca 0.36 -0.98 -0.07 0.00 1.31 0.00 0.00 55.95 56.57 1hdn s SER 41 Cb -0.07 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1hdn s SER 41 CO 0.07 -2.32 0.81 0.00 0.41 0.00 0.00 173.24 172.20 1hdn s ALA 42 N 8.33 3.35 -0.22 1.44 0.00 -0.29 -4.91 121.76 129.46 1hdn s ALA 42 Ca 0.62 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 1hdn s ALA 42 Cb -0.04 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1hdn s ALA 42 CO -0.03 -0.29 -0.02 0.45 0.00 0.00 0.00 175.76 175.87 1hdn s SER 43 N -3.83 4.49 0.39 0.00 0.15 -1.26 -0.54 113.70 113.10 1hdn s SER 43 Ca 0.49 -0.34 0.09 0.00 0.70 0.00 0.00 55.95 56.90 1hdn s SER 43 Cb -0.10 -1.78 0.79 0.00 -1.71 0.00 0.00 66.02 63.22 1hdn s SER 43 CO 0.42 -0.01 1.93 0.00 1.20 0.00 0.00 173.24 176.78 1hdn h ALA 44 N 8.02 1.53 0.00 5.45 0.00 -1.63 -2.85 119.26 129.77 1hdn h ALA 44 Ca -0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1hdn h ALA 44 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1hdn h ALA 44 CO 0.60 0.34 0.00 1.17 0.00 0.00 0.00 179.25 181.36 1hdn n LYS 45 N -4.29 0.00 -4.07 0.00 4.81 -1.26 -3.73 118.16 109.61 1hdn n LYS 45 Ca -0.00 0.30 -0.32 0.00 -0.87 0.00 0.00 58.31 57.42 1hdn n LYS 45 Cb 0.25 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.64 1hdn n LYS 45 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1hdn s SER 46 N -3.00 3.18 0.17 3.14 0.15 -1.09 -4.71 113.70 111.55 1hdn s SER 46 Ca 0.06 -0.71 -0.14 0.00 0.70 0.00 0.00 55.95 55.85 1hdn s SER 46 Cb 0.07 -1.37 0.14 0.00 -1.71 0.00 0.00 66.02 63.15 1hdn s SER 46 CO 0.21 -0.06 1.74 0.25 1.20 0.00 0.00 173.24 176.58 1hdn h LEU 47 N 7.96 0.11 0.77 3.45 5.85 -1.83 -0.75 115.31 130.87 1hdn h LEU 47 Ca -0.39 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 1hdn h LEU 47 Cb 1.12 0.06 0.01 0.00 0.37 0.00 0.00 40.66 42.22 1hdn h LEU 47 CO 0.57 0.10 -0.37 0.15 -0.34 0.00 0.00 178.44 178.54 1hdn h PHE 48 N 0.29 -0.96 -0.55 1.25 3.57 -1.95 -2.37 116.94 116.22 1hdn h PHE 48 Ca 0.21 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1hdn h PHE 48 Cb 0.23 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1hdn h PHE 48 CO -0.17 -0.59 0.31 -0.22 -2.23 0.00 0.00 178.31 175.41 1hdn h LYS 49 N -1.06 0.77 0.56 1.11 3.64 -1.71 0.12 116.57 120.00 1hdn h LYS 49 Ca -0.11 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1hdn h LYS 49 Cb 0.80 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1hdn h LYS 49 CO 0.17 0.59 -0.37 1.25 -2.27 0.00 0.00 179.45 178.82 1hdn h LEU 50 N 0.74 -0.95 -0.96 5.20 5.85 -1.01 -2.43 115.31 121.75 1hdn h LEU 50 Ca 0.20 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 1hdn h LEU 50 Cb 0.04 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1hdn h LEU 50 CO -0.03 -0.57 -0.44 1.56 -0.34 0.00 0.00 178.44 178.62 1hdn h GLN 51 N -0.90 0.00 0.00 1.25 4.20 -0.97 -2.22 115.11 116.47 1hdn h GLN 51 Ca -0.07 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1hdn h GLN 51 Cb 0.74 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1hdn h GLN 51 CO 0.05 0.44 -0.31 0.00 -0.67 0.00 0.00 178.83 178.34 1hdn h THR 52 N 0.00 0.70 -3.05 -0.54 1.03 -0.81 -3.33 112.91 106.91 1hdn h THR 52 Ca -0.00 -1.38 -0.76 0.00 -0.01 0.00 0.00 66.41 64.25 1hdn h THR 52 Cb 0.91 1.90 -0.31 0.00 -1.07 0.00 0.00 68.15 69.57 1hdn h THR 52 CO 0.06 0.30 0.35 0.18 -0.01 0.00 0.00 175.52 176.40 1hdn n LEU 53 N -3.42 5.42 -4.74 0.00 4.32 -0.84 -5.05 117.00 112.69 1hdn n LEU 53 Ca 0.00 -5.19 -0.35 0.00 -0.02 0.00 0.00 56.01 50.46 1hdn n LEU 53 Cb 0.49 -1.21 0.06 0.00 -1.62 0.00 0.00 43.42 41.15 1hdn n LEU 53 CO 0.35 1.63 0.81 -0.83 -1.22 0.00 0.00 177.39 178.14 1hdn s GLY 54 N -0.81 2.49 0.22 -0.72 0.00 -1.25 -4.89 107.32 102.35 1hdn s GLY 54 Ca 0.32 0.89 0.05 0.00 0.00 0.00 0.00 44.72 45.97 1hdn s GLY 54 CO -0.00 1.29 0.33 1.08 0.00 0.00 0.00 173.10 175.80 1hdn s LEU 55 N -4.67 4.29 0.20 0.66 1.02 -1.26 -5.05 118.68 113.87 1hdn s LEU 55 Ca 0.75 0.07 -0.23 0.00 0.02 0.00 0.00 54.13 54.74 1hdn s LEU 55 Cb -0.29 -2.84 0.05 0.00 0.02 0.00 0.00 46.19 43.13 1hdn s LEU 55 CO 0.40 -0.04 0.73 0.28 0.02 0.00 0.00 176.35 177.74 1hdn s THR 56 N -1.93 0.00 0.09 5.49 -1.32 -1.26 -4.26 115.64 112.45 1hdn s THR 56 Ca 0.34 -0.54 -0.31 0.00 -1.21 0.00 0.00 61.69 59.97 1hdn s THR 56 Cb -0.09 -1.59 -0.09 0.00 -1.51 0.00 0.00 72.50 69.22 1hdn s THR 56 CO 0.29 0.00 1.69 0.00 -2.21 0.00 0.00 174.62 174.38 1hdn s GLN 57 N -3.71 4.18 0.00 7.08 -2.07 -1.15 -2.53 119.66 121.47 1hdn s GLN 57 Ca 0.07 2.40 0.00 0.00 -1.82 0.00 0.00 55.36 56.01 1hdn s GLN 57 Cb -0.03 -3.55 0.00 0.00 -1.09 0.00 0.00 33.01 28.34 1hdn s GLN 57 CO -0.02 -0.75 0.00 0.41 -1.32 0.00 0.00 175.29 173.62 1hdn n GLY 58 N 4.03 3.18 3.57 2.60 0.00 -0.23 -4.99 105.19 113.34 1hdn n GLY 58 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.40 3.73 0.28 2.61 2.01 -1.05 -4.92 115.64 115.91 1hdn s THR 59 Ca 0.00 0.59 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 1hdn s THR 59 Cb 0.00 -4.43 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 1hdn s THR 59 CO 0.00 -1.21 1.36 0.54 -0.69 0.00 0.00 174.62 174.62 1hdn s VAL 60 N 6.32 2.74 -0.11 3.82 0.11 -1.26 -4.08 120.40 127.94 1hdn s VAL 60 Ca 0.52 0.68 0.01 0.00 -2.93 0.00 0.00 61.98 60.26 1hdn s VAL 60 Cb -0.11 -3.43 0.02 0.00 -1.53 0.00 0.00 36.38 31.33 1hdn s VAL 60 CO 0.24 0.13 -0.12 0.54 -3.33 0.00 0.00 175.10 172.56 1hdn s VAL 61 N -0.54 1.27 -0.31 2.04 0.11 -0.24 -0.85 120.40 121.87 1hdn s VAL 61 Ca 0.54 -0.48 -0.21 0.00 -2.93 0.00 0.00 61.98 58.90 1hdn s VAL 61 Cb -0.40 -1.20 -0.01 0.00 -1.53 0.00 0.00 36.38 33.24 1hdn s VAL 61 CO 0.48 0.40 0.65 -0.89 -3.33 0.00 0.00 175.10 172.41 1hdn s THR 62 N 1.24 4.91 -0.54 5.04 2.01 -0.58 -1.05 115.64 126.67 1hdn s THR 62 Ca -0.03 0.86 -0.20 0.00 0.31 0.00 0.00 61.69 62.63 1hdn s THR 62 Cb -0.14 -4.04 0.07 0.00 0.01 0.00 0.00 72.50 68.40 1hdn s THR 62 CO -0.04 -0.19 0.72 -0.63 -0.69 0.00 0.00 174.62 173.79 1hdn s ILE 63 N 2.68 4.74 -0.12 1.82 -1.09 0.21 -1.13 121.20 128.31 1hdn s ILE 63 Ca 0.26 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1hdn s ILE 63 Cb -0.15 -4.41 -0.01 0.00 -1.58 0.00 0.00 42.46 36.32 1hdn s ILE 63 CO 0.12 -0.97 -0.16 -0.55 -1.23 0.00 0.00 174.94 172.15 1hdn s SER 64 N 2.99 3.73 -0.15 3.58 0.15 -0.25 -0.95 113.70 122.80 1hdn s SER 64 Ca 0.17 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.43 1hdn s SER 64 Cb -0.19 -1.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.58 1hdn s SER 64 CO 0.12 0.16 -0.19 0.00 1.20 0.00 0.00 173.24 174.52 1hdn s ALA 65 N 0.39 2.09 -0.32 5.45 0.00 -0.05 -0.71 121.76 128.61 1hdn s ALA 65 Ca -0.13 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 1hdn s ALA 65 Cb -0.16 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 1hdn s ALA 65 CO 0.06 -0.19 0.36 -1.83 0.00 0.00 0.00 175.76 174.16 1hdn s GLU 66 N 1.10 3.69 0.24 0.00 -1.05 -1.23 -2.12 118.70 119.34 1hdn s GLU 66 Ca -0.02 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1hdn s GLU 66 Cb -0.14 -3.76 0.00 0.00 -0.44 0.00 0.00 34.13 29.79 1hdn s GLU 66 CO -0.06 -0.45 0.00 0.41 0.95 0.00 0.00 175.26 176.11 1hdn n GLY 67 N 4.90 -1.84 6.27 -3.83 0.00 -1.26 -4.30 105.19 105.12 1hdn n GLY 67 Ca -0.09 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1hdn n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hdn n GLU 68 N -3.22 0.00 0.00 1.61 1.02 -1.26 -0.93 120.64 117.86 1hdn n GLU 68 Ca -0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.27 1hdn n GLU 68 Cb 0.43 0.00 0.80 0.00 -0.02 0.00 0.00 31.44 32.64 1hdn n GLU 68 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1hdn n ASP 69 N 1.88 0.00 0.00 1.62 8.00 -1.26 -4.64 116.55 122.16 1hdn n ASP 69 Ca 0.00 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1hdn n ASP 69 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1hdn n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1hdn n GLU 70 N -1.03 0.00 0.30 -1.24 0.28 -0.10 -1.16 120.64 117.68 1hdn n GLU 70 Ca 0.20 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 57.05 1hdn n GLU 70 Cb 0.11 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.90 1hdn n GLU 70 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1hdn h GLN 71 N 0.00 -0.75 -0.69 3.44 4.20 -1.88 -1.98 115.11 117.45 1hdn h GLN 71 Ca 0.00 0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1hdn h GLN 71 Cb 0.00 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1hdn h GLN 71 CO 0.00 -0.44 0.29 -0.22 -0.67 0.00 0.00 178.83 177.79 1hdn h LYS 72 N -1.03 1.00 0.39 1.46 3.64 -1.78 -1.88 116.57 118.38 1hdn h LYS 72 Ca -0.08 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1hdn h LYS 72 Cb 0.66 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1hdn h LYS 72 CO 0.13 0.80 -0.39 0.00 -2.27 0.00 0.00 179.45 177.72 1hdn h ALA 73 N 1.33 -0.86 -0.07 5.00 0.00 -1.08 -2.64 119.26 120.95 1hdn h ALA 73 Ca 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hdn h ALA 73 Cb 0.16 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1hdn h ALA 73 CO -0.02 -1.02 0.03 0.28 0.00 0.00 0.00 179.25 178.52 1hdn h VAL 74 N -0.81 1.13 -0.23 0.00 2.07 -0.96 -1.70 116.25 115.75 1hdn h VAL 74 Ca -0.03 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.17 1hdn h VAL 74 Cb 0.72 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 1hdn h VAL 74 CO -0.06 0.11 -0.37 -0.08 0.02 0.00 0.00 177.57 177.19 1hdn h GLU 75 N -0.03 -0.37 -0.10 1.57 4.81 -1.38 0.10 114.58 119.17 1hdn h GLU 75 Ca 0.02 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1hdn h GLU 75 Cb 0.15 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1hdn h GLU 75 CO -0.00 -0.25 0.04 1.25 -0.73 0.00 0.00 179.01 179.32 1hdn h HIS 76 N -0.39 0.16 -0.76 0.92 2.76 -1.39 -1.91 115.15 114.55 1hdn h HIS 76 Ca 0.11 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1hdn h HIS 76 Cb 0.58 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.45 1hdn h HIS 76 CO -0.49 0.28 0.40 -0.07 -1.30 0.00 0.00 177.93 176.76 1hdn h LEU 77 N -0.01 0.94 -0.54 0.26 3.38 -0.93 -0.11 115.31 118.30 1hdn h LEU 77 Ca 0.03 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1hdn h LEU 77 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1hdn h LEU 77 CO -0.00 0.77 0.09 0.58 0.09 0.00 0.00 178.44 179.97 1hdn h VAL 78 N 1.06 1.25 -0.41 1.22 2.07 -0.69 -1.23 116.25 119.51 1hdn h VAL 78 Ca 0.27 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1hdn h VAL 78 Cb 0.04 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1hdn h VAL 78 CO -0.04 0.34 0.25 0.11 0.02 0.00 0.00 177.57 178.26 1hdn h LYS 79 N 0.78 0.56 -0.22 1.57 1.57 -0.72 -1.39 116.57 118.72 1hdn h LYS 79 Ca 0.16 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1hdn h LYS 79 Cb 0.40 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 1hdn h LYS 79 CO 0.01 0.41 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.02 1hdn h LEU 80 N 0.55 -0.66 -1.64 2.94 3.38 -0.92 -0.37 115.31 118.59 1hdn h LEU 80 Ca 0.15 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1hdn h LEU 80 Cb -0.01 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1hdn h LEU 80 CO -0.03 -0.25 0.23 0.24 0.09 0.00 0.00 178.44 178.73 1hdn h MET 81 N -0.22 0.48 -0.02 1.13 2.86 -0.98 -1.17 114.93 117.01 1hdn h MET 81 Ca 0.13 -0.03 -0.22 0.00 -2.06 0.00 0.00 59.70 57.52 1hdn h MET 81 Cb 0.42 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1hdn h MET 81 CO -0.35 0.32 -0.91 0.00 1.06 0.00 0.00 176.91 177.03 1hdn h ALA 82 N 1.77 0.38 0.00 6.32 0.00 -0.48 -3.37 119.26 123.89 1hdn h ALA 82 Ca 0.13 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1hdn h ALA 82 Cb -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1hdn h ALA 82 CO -0.03 0.79 -0.65 0.93 0.00 0.00 0.00 179.25 180.30 1hdn h GLU 83 N 0.26 0.00 -6.14 0.00 5.08 -0.59 -3.48 114.58 109.71 1hdn h GLU 83 Ca -0.07 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.63 1hdn h GLU 83 Cb 1.53 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.66 1hdn h GLU 83 CO 0.16 0.08 -0.63 -0.51 -1.00 0.00 0.00 179.01 177.11 1hdn s LEU 84 N -5.81 3.61 0.00 1.33 1.43 -0.49 -5.09 118.68 113.67 1hdn s LEU 84 Ca 0.02 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1hdn s LEU 84 Cb 0.08 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1hdn s LEU 84 CO 0.75 0.26 0.07 -0.62 0.23 0.00 0.00 176.35 177.04