#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 1.06 0.04 1.12 5.36 -0.46 -5.02 117.98 120.08 1hdn s PHE 2 Ca 0.00 -0.25 0.02 0.00 -0.96 0.00 0.00 56.93 55.73 1hdn s PHE 2 Cb 0.00 -0.66 -0.03 0.00 -0.34 0.00 0.00 43.02 41.99 1hdn s PHE 2 CO 0.00 -0.00 -0.06 1.14 -1.46 0.00 0.00 175.22 174.83 1hdn s GLN 3 N -0.58 0.52 -0.06 10.12 0.00 -1.26 -0.23 119.66 128.17 1hdn s GLN 3 Ca 0.03 -0.81 -0.02 0.00 -0.00 0.00 0.00 55.36 54.56 1hdn s GLN 3 Cb -0.06 -0.18 0.04 0.00 0.00 0.00 0.00 33.01 32.81 1hdn s GLN 3 CO 0.00 0.02 0.12 -1.14 0.00 0.00 0.00 175.29 174.29 1hdn s GLN 4 N -1.90 0.05 -0.44 9.60 2.00 -0.25 -5.00 119.66 123.71 1hdn s GLN 4 Ca -0.08 0.36 -0.21 0.00 -2.00 0.00 0.00 55.36 53.43 1hdn s GLN 4 Cb -0.08 -0.22 0.02 0.00 0.80 0.00 0.00 33.01 33.54 1hdn s GLN 4 CO -0.01 -0.19 0.68 -1.21 -0.50 0.00 0.00 175.29 174.05 1hdn s GLU 5 N 1.34 3.30 -0.22 1.67 2.02 -1.26 -1.01 118.70 124.55 1hdn s GLU 5 Ca -0.07 -0.32 0.01 0.00 0.02 0.00 0.00 54.97 54.61 1hdn s GLU 5 Cb -0.12 -3.95 0.03 0.00 0.10 0.00 0.00 34.13 30.19 1hdn s GLU 5 CO -0.05 -1.04 -0.14 0.54 0.02 0.00 0.00 175.26 174.59 1hdn s VAL 6 N 2.93 2.31 -0.21 2.63 0.11 -0.29 -4.84 120.40 123.03 1hdn s VAL 6 Ca 0.24 -1.17 -0.29 0.00 -2.93 0.00 0.00 61.98 57.83 1hdn s VAL 6 Cb -0.14 -2.14 -0.03 0.00 -1.53 0.00 0.00 36.38 32.54 1hdn s VAL 6 CO 0.20 0.28 1.68 -0.89 -3.33 0.00 0.00 175.10 173.04 1hdn s THR 7 N 1.24 3.61 -0.60 5.04 2.01 -1.26 -0.99 115.64 124.69 1hdn s THR 7 Ca -0.01 0.68 -0.26 0.00 0.31 0.00 0.00 61.69 62.41 1hdn s THR 7 Cb -0.16 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1hdn s THR 7 CO -0.08 -0.27 1.92 -0.63 -0.69 0.00 0.00 174.62 174.87 1hdn s ILE 8 N 5.42 3.32 -0.16 1.82 1.01 -0.38 -4.84 121.20 127.40 1hdn s ILE 8 Ca 0.74 0.18 0.22 0.00 0.00 0.00 0.00 60.65 61.80 1hdn s ILE 8 Cb -0.26 -3.84 0.24 0.00 0.01 0.00 0.00 42.46 38.61 1hdn s ILE 8 CO 0.30 -0.81 1.65 0.71 0.00 0.00 0.00 174.94 176.80 1hdn h THR 9 N 6.98 0.39 -2.13 2.92 1.35 -1.92 -2.09 112.91 118.40 1hdn h THR 9 Ca -0.26 -1.34 -0.58 0.00 -0.55 0.00 0.00 66.41 63.69 1hdn h THR 9 Cb 1.17 2.02 0.01 0.00 -1.73 0.00 0.00 68.15 69.63 1hdn h THR 9 CO 1.21 0.20 1.23 0.00 -0.25 0.00 0.00 175.52 177.92 1hdn n ALA 10 N -2.17 1.34 0.08 6.62 0.00 -1.26 -4.90 120.51 120.22 1hdn n ALA 10 Ca 0.02 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1hdn n ALA 10 Cb 0.54 -2.65 -0.05 0.00 0.00 0.00 0.00 19.45 17.30 1hdn n ALA 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1hdn h PRO 11 N 10.81 -0.34 0.22 0.00 0.11 -1.96 -2.84 132.00 138.00 1hdn h PRO 11 Ca -0.47 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1hdn h PRO 11 Cb 1.26 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1hdn h PRO 11 CO 0.95 -0.23 -0.11 -2.95 -0.21 0.00 0.00 178.00 175.46 1hdn h ASN 12 N -0.35 -0.25 0.00 -2.05 -1.07 -1.92 -3.40 115.58 106.54 1hdn h ASN 12 Ca 0.05 -0.10 0.00 0.00 0.07 0.00 0.00 56.30 56.32 1hdn h ASN 12 Cb 0.41 0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 1hdn h ASN 12 CO -0.16 -0.06 0.00 0.61 0.07 0.00 0.00 177.43 177.89 1hdn n GLY 13 N -0.83 -0.79 3.05 9.14 0.00 -1.07 -4.53 105.19 110.16 1hdn n GLY 13 Ca -0.09 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 1hdn n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hdn s LEU 14 N 0.00 5.18 0.00 0.99 2.96 0.70 -4.91 118.68 123.60 1hdn s LEU 14 Ca 0.00 -3.37 0.00 0.00 -0.22 0.00 0.00 54.13 50.54 1hdn s LEU 14 Cb 0.00 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1hdn s LEU 14 CO 0.00 -0.24 0.00 0.00 -1.32 0.00 0.00 176.35 174.79 1hdn n HIS 15 N 2.76 -2.26 -0.11 5.38 1.44 -1.26 -4.20 115.22 116.96 1hdn n HIS 15 Ca 0.15 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.81 1hdn n HIS 15 Cb 0.36 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.49 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 -0.52 0.68 -0.18 0.61 1.35 -1.93 0.13 112.91 113.05 1hdn h THR 16 Ca 0.00 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.81 1hdn h THR 16 Cb 0.00 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.02 1hdn h THR 16 CO 0.00 0.01 0.02 0.08 -0.25 0.00 0.00 175.52 175.39 1hdn h ARG 17 N 0.07 0.30 -0.60 4.72 0.11 -1.99 0.11 114.38 117.10 1hdn h ARG 17 Ca 0.19 -0.08 -0.09 0.00 0.10 0.00 0.00 59.98 60.09 1hdn h ARG 17 Cb 0.27 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.29 1hdn h ARG 17 CO -0.34 0.47 0.02 -1.35 0.10 0.00 0.00 179.97 178.87 1hdn h PRO 18 N 0.09 1.03 -0.82 0.08 0.11 -1.88 -1.96 132.00 128.65 1hdn h PRO 18 Ca 0.05 -0.31 0.06 0.00 0.11 0.00 0.00 66.00 65.92 1hdn h PRO 18 Cb 0.32 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.27 1hdn h PRO 18 CO 0.00 1.00 0.50 0.00 -0.21 0.00 0.00 178.00 179.29 1hdn h ALA 19 N 1.06 1.12 -0.24 -0.75 0.00 -0.97 0.55 119.26 120.03 1hdn h ALA 19 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1hdn h ALA 19 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1hdn h ALA 19 CO 0.03 0.22 0.14 0.00 0.00 0.00 0.00 179.25 179.63 1hdn h ALA 20 N 1.40 0.31 -0.58 0.00 0.00 -0.69 -1.48 119.26 118.22 1hdn h ALA 20 Ca 0.36 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.27 1hdn h ALA 20 Cb 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1hdn h ALA 20 CO -0.18 -0.17 0.29 1.96 0.00 0.00 0.00 179.25 181.16 1hdn h GLN 21 N 0.28 0.54 -0.36 0.00 4.20 -0.86 -0.17 115.11 118.75 1hdn h GLN 21 Ca 0.09 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1hdn h GLN 21 Cb 0.05 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1hdn h GLN 21 CO -0.01 0.36 0.13 0.35 -0.67 0.00 0.00 178.83 178.98 1hdn h PHE 22 N 0.56 0.23 -0.46 2.96 3.57 -0.75 -0.91 116.94 122.14 1hdn h PHE 22 Ca 0.26 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 1hdn h PHE 22 Cb 0.18 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1hdn h PHE 22 CO -0.10 0.10 0.06 0.28 -2.23 0.00 0.00 178.31 176.42 1hdn h VAL 23 N 0.28 1.25 -0.83 1.41 2.07 -0.92 0.14 116.25 119.64 1hdn h VAL 23 Ca 0.16 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.79 1hdn h VAL 23 Cb 0.13 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1hdn h VAL 23 CO -0.16 0.32 0.53 0.50 0.02 0.00 0.00 177.57 178.78 1hdn h LYS 24 N 0.63 0.98 0.22 1.57 3.11 -0.54 0.12 116.57 122.65 1hdn h LYS 24 Ca 0.14 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 1hdn h LYS 24 Cb 0.40 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1hdn h LYS 24 CO 0.01 0.65 -0.10 1.49 -2.81 0.00 0.00 179.45 178.69 1hdn h GLU 25 N 1.01 -0.28 -0.95 1.90 4.57 -1.09 -3.34 114.58 116.40 1hdn h GLU 25 Ca 0.34 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.68 1hdn h GLU 25 Cb 0.04 0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.61 1hdn h GLU 25 CO -0.13 0.01 0.60 0.00 -1.18 0.00 0.00 179.01 178.31 1hdn h ALA 26 N 0.13 1.71 0.00 2.92 0.00 -0.29 0.71 119.26 124.45 1hdn h ALA 26 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hdn h ALA 26 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1hdn h ALA 26 CO 0.05 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.96 1hdn n LYS 27 N -4.61 0.79 0.04 0.00 5.02 -0.01 -1.44 118.16 117.96 1hdn n LYS 27 Ca 0.19 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.59 1hdn n LYS 27 Cb 0.45 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 34.39 1hdn n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hdn n GLY 28 N 0.27 -1.25 3.67 0.72 0.00 0.24 -4.93 105.19 103.91 1hdn n GLY 28 Ca 0.00 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1hdn n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hdn s PHE 29 N -3.32 3.36 0.33 1.61 0.08 -0.52 -4.98 117.98 114.54 1hdn s PHE 29 Ca -0.00 0.49 0.02 0.00 0.12 0.00 0.00 56.93 57.56 1hdn s PHE 29 Cb 0.13 -2.43 0.57 0.00 -0.57 0.00 0.00 43.02 40.72 1hdn s PHE 29 CO 0.82 0.03 1.92 1.79 -0.10 0.00 0.00 175.22 179.68 1hdn h THR 30 N 5.00 1.19 -3.47 0.64 1.35 -1.92 -3.45 112.91 112.25 1hdn h THR 30 Ca -0.37 -0.60 -0.57 0.00 -0.55 0.00 0.00 66.41 64.32 1hdn h THR 30 Cb 1.16 0.62 0.17 0.00 -1.73 0.00 0.00 68.15 68.37 1hdn h THR 30 CO 0.70 0.23 -0.03 -1.20 -0.25 0.00 0.00 175.52 174.98 1hdn n SER 31 N -4.34 0.18 -4.55 5.36 7.64 -1.26 -4.90 113.62 111.75 1hdn n SER 31 Ca 0.04 0.75 -0.41 0.00 1.01 0.00 0.00 58.87 60.25 1hdn n SER 31 Cb 0.16 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 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 -2.73 3.60 -0.71 1.43 2.56 0.13 -4.84 118.70 118.13 1hdn s GLU 32 Ca 0.74 -1.20 -0.26 0.00 0.00 0.00 0.00 54.97 54.25 1hdn s GLU 32 Cb -0.40 -5.33 -0.00 0.00 2.00 0.00 0.00 34.13 30.40 1hdn s GLU 32 CO 0.49 -2.17 1.65 0.96 -0.56 0.00 0.00 175.26 175.63 1hdn s ILE 33 N 4.76 3.53 -0.19 -3.70 -5.25 -1.26 -1.49 121.20 117.59 1hdn s ILE 33 Ca 0.45 0.15 -0.07 0.00 -0.99 0.00 0.00 60.65 60.18 1hdn s ILE 33 Cb -0.00 -4.36 -0.04 0.00 2.95 0.00 0.00 42.46 41.01 1hdn s ILE 33 CO -0.10 -1.31 0.06 -0.89 -1.79 0.00 0.00 174.94 170.92 1hdn s THR 34 N 7.77 4.73 -0.32 8.37 2.01 0.49 -0.60 115.64 138.09 1hdn s THR 34 Ca 0.55 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.48 1hdn s THR 34 Cb -0.10 -3.14 0.06 0.00 0.01 0.00 0.00 72.50 69.34 1hdn s THR 34 CO 0.14 0.44 0.04 -0.69 -0.69 0.00 0.00 174.62 173.87 1hdn s VAL 35 N 0.54 3.03 -0.41 3.82 1.01 -0.15 -0.71 120.40 127.54 1hdn s VAL 35 Ca 0.03 -1.55 -0.07 0.00 0.00 0.00 0.00 61.98 60.38 1hdn s VAL 35 Cb -0.13 -2.83 0.08 0.00 0.00 0.00 0.00 36.38 33.50 1hdn s VAL 35 CO 0.01 -0.25 0.23 -0.89 0.00 0.00 0.00 175.10 174.20 1hdn s THR 36 N 1.22 3.93 -0.85 3.92 2.01 -0.06 -1.14 115.64 124.67 1hdn s THR 36 Ca -0.02 -1.53 -0.05 0.00 0.31 0.00 0.00 61.69 60.40 1hdn s THR 36 Cb -0.20 -3.45 0.08 0.00 0.01 0.00 0.00 72.50 68.94 1hdn s THR 36 CO -0.02 -0.51 2.60 -1.54 -0.69 0.00 0.00 174.62 174.47 1hdn n SER 37 N 4.83 7.19 -2.93 3.53 3.41 0.22 -1.28 113.62 128.58 1hdn n SER 37 Ca -0.09 -3.17 -0.01 0.00 -0.26 0.00 0.00 58.87 55.34 1hdn n SER 37 Cb 0.43 -1.29 -0.01 0.00 -0.26 0.00 0.00 64.21 63.07 1hdn n SER 37 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hdn n ASN 38 N 1.28 -6.06 0.00 4.04 4.13 -1.26 -4.25 115.26 113.14 1hdn n ASN 38 Ca 0.55 0.98 0.00 0.00 1.68 0.00 0.00 54.58 57.79 1hdn n ASN 38 Cb 0.42 -3.24 0.00 0.00 -1.54 0.00 0.00 39.78 35.41 1hdn n ASN 38 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hdn n GLY 39 N 1.50 2.89 3.47 7.41 0.00 -1.26 -5.01 105.19 114.18 1hdn n GLY 39 Ca -0.08 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 3.28 -0.05 1.61 3.01 -1.26 -5.12 119.74 121.21 1hdn s LYS 40 Ca 0.00 -0.60 0.05 0.00 -1.01 0.00 0.00 55.97 54.41 1hdn s LYS 40 Cb 0.00 -2.70 -0.01 0.00 -1.01 0.00 0.00 37.83 34.12 1hdn s LYS 40 CO 0.00 0.35 -0.21 -1.12 0.51 0.00 0.00 175.35 174.89 1hdn s SER 41 N 0.02 2.60 -0.06 2.83 0.01 -1.26 -0.61 113.70 117.22 1hdn s SER 41 Ca -0.02 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1hdn s SER 41 Cb -0.14 -0.76 0.02 0.00 0.21 0.00 0.00 66.02 65.36 1hdn s SER 41 CO 0.03 0.19 -0.03 0.00 0.41 0.00 0.00 173.24 173.85 1hdn s ALA 42 N -0.01 0.70 -0.03 1.44 0.00 -0.29 -5.00 121.76 118.56 1hdn s ALA 42 Ca -0.05 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 1hdn s ALA 42 Cb -0.13 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 1hdn s ALA 42 CO 0.03 -0.20 1.54 0.45 0.00 0.00 0.00 175.76 177.58 1hdn s SER 43 N 1.34 6.74 0.00 0.00 0.15 -1.26 -0.98 113.70 119.69 1hdn s SER 43 Ca -0.04 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.78 1hdn s SER 43 Cb -0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1hdn s SER 43 CO -0.02 -0.84 0.62 0.00 1.20 0.00 0.00 173.24 174.19 1hdn n ALA 44 N 6.33 2.20 1.08 5.45 0.00 0.23 -2.94 120.51 132.86 1hdn n ALA 44 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1hdn n ALA 44 Cb 0.43 -1.00 0.61 0.00 0.00 0.00 0.00 19.45 19.49 1hdn n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hdn n LYS 45 N -0.30 0.20 -4.28 0.00 4.76 -1.26 -4.47 118.16 112.81 1hdn n LYS 45 Ca 0.00 0.05 -0.20 0.00 -2.87 0.00 0.00 58.31 55.29 1hdn n LYS 45 Cb 0.06 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.59 1hdn n LYS 45 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1hdn s SER 46 N -2.77 1.04 0.10 4.39 0.15 -1.15 -5.04 113.70 110.42 1hdn s SER 46 Ca 0.19 -0.16 -0.26 0.00 0.70 0.00 0.00 55.95 56.42 1hdn s SER 46 Cb 0.17 -0.36 -0.11 0.00 -1.71 0.00 0.00 66.02 64.01 1hdn s SER 46 CO 0.43 0.02 1.67 0.25 1.20 0.00 0.00 173.24 176.81 1hdn h LEU 47 N 6.68 -0.50 -1.56 3.45 5.85 -1.88 -2.57 115.31 124.78 1hdn h LEU 47 Ca -0.35 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.52 1hdn h LEU 47 Cb 1.17 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 1hdn h LEU 47 CO 0.48 -0.27 0.42 0.15 -0.34 0.00 0.00 178.44 178.89 1hdn h PHE 48 N -0.39 0.53 0.24 1.25 3.57 -1.96 -0.18 116.94 120.00 1hdn h PHE 48 Ca 0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1hdn h PHE 48 Cb 0.38 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1hdn h PHE 48 CO -0.16 0.26 -0.18 0.87 -2.23 0.00 0.00 178.31 176.87 1hdn h LYS 49 N 0.50 -0.41 -0.02 1.11 1.79 -1.75 -1.02 116.57 116.77 1hdn h LYS 49 Ca 0.29 0.03 -0.19 0.00 -2.18 0.00 0.00 60.65 58.60 1hdn h LYS 49 Cb 0.48 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1hdn h LYS 49 CO -0.09 -0.27 -0.81 -0.07 -1.08 0.00 0.00 179.45 177.13 1hdn h LEU 50 N -0.42 0.27 -0.81 2.94 4.07 -1.36 -3.00 115.31 117.00 1hdn h LEU 50 Ca -0.02 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1hdn h LEU 50 Cb 0.37 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1hdn h LEU 50 CO -0.00 0.97 0.00 0.00 -1.08 0.00 0.00 178.44 178.33 1hdn n GLN 51 N -3.71 0.20 -0.60 1.13 6.02 -0.13 -1.35 117.38 118.93 1hdn n GLN 51 Ca -0.03 0.45 0.08 0.00 -0.01 0.00 0.00 57.00 57.49 1hdn n GLN 51 Cb 0.76 -1.90 0.31 0.00 1.02 0.00 0.00 30.24 30.44 1hdn n GLN 51 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1hdn n THR 52 N -2.28 2.30 -4.06 5.09 -2.24 -0.39 -4.89 114.28 107.81 1hdn n THR 52 Ca 0.02 -1.58 -0.34 0.00 -2.27 0.00 0.00 64.05 59.88 1hdn n THR 52 Cb 0.21 -0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.14 1hdn n THR 52 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1hdn s LEU 53 N -2.56 2.62 -1.14 3.22 2.96 -0.46 -5.04 118.68 118.29 1hdn s LEU 53 Ca 0.46 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.72 1hdn s LEU 53 Cb 0.35 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 45.35 1hdn s LEU 53 CO 0.14 0.00 2.07 0.61 -1.32 0.00 0.00 176.35 177.85 1hdn n GLY 54 N 4.63 3.47 3.56 7.98 0.00 -1.26 -4.91 105.19 118.64 1hdn n GLY 54 Ca -0.19 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 1hdn n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hdn s LEU 55 N 1.99 3.30 0.00 0.99 1.43 -1.26 -4.94 118.68 120.18 1hdn s LEU 55 Ca 0.52 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1hdn s LEU 55 Cb 0.14 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1hdn s LEU 55 CO 0.01 -2.03 0.16 1.07 0.23 0.00 0.00 176.35 175.80 1hdn n THR 56 N 7.03 0.00 -1.49 5.49 5.66 -1.26 -0.22 114.28 129.49 1hdn n THR 56 Ca 0.24 -1.08 -0.51 0.00 -3.05 0.00 0.00 64.05 59.65 1hdn n THR 56 Cb 0.50 0.57 -0.04 0.00 -1.55 0.00 0.00 70.33 69.80 1hdn n THR 56 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1hdn n GLN 57 N -0.30 0.42 0.00 1.09 -0.06 -1.26 -2.92 117.38 114.35 1hdn n GLN 57 Ca 0.03 0.15 0.00 0.00 -2.00 0.00 0.00 57.00 55.18 1hdn n GLN 57 Cb 0.29 -1.43 0.00 0.00 -4.06 0.00 0.00 30.24 25.03 1hdn n GLN 57 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1hdn n GLY 58 N 1.81 2.39 3.66 1.69 0.00 -0.78 -4.97 105.19 108.99 1hdn n GLY 58 Ca 0.17 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1hdn n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hdn n THR 59 N 0.00 0.74 -2.82 2.61 -2.24 -1.15 -4.63 114.28 106.79 1hdn n THR 59 Ca 0.00 -0.13 -0.44 0.00 -2.27 0.00 0.00 64.05 61.21 1hdn n THR 59 Cb 0.00 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 65.97 1hdn n THR 59 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1hdn n VAL 60 N 5.48 4.32 -2.41 2.28 0.31 -1.26 -1.24 118.33 125.80 1hdn n VAL 60 Ca 0.20 -4.71 -0.43 0.00 -0.01 0.00 0.00 64.34 59.39 1hdn n VAL 60 Cb 0.39 -2.44 -0.02 0.00 -0.91 0.00 0.00 33.84 30.87 1hdn n VAL 60 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1hdn s VAL 61 N 1.04 4.08 -0.78 2.52 0.11 -0.16 -4.46 120.40 122.75 1hdn s VAL 61 Ca 0.41 1.18 -0.25 0.00 -2.93 0.00 0.00 61.98 60.39 1hdn s VAL 61 Cb 0.00 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.63 1hdn s VAL 61 CO 0.00 -0.58 1.82 -0.89 -3.33 0.00 0.00 175.10 172.11 1hdn s THR 62 N 4.67 3.47 -0.63 5.04 2.01 -0.40 -1.14 115.64 128.67 1hdn s THR 62 Ca 0.57 -0.12 -0.27 0.00 0.31 0.00 0.00 61.69 62.19 1hdn s THR 62 Cb -0.15 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.25 1hdn s THR 62 CO 0.26 -1.09 1.16 -0.63 -0.69 0.00 0.00 174.62 173.63 1hdn s ILE 63 N 8.88 4.01 -0.09 1.82 1.09 -0.18 -0.88 121.20 135.85 1hdn s ILE 63 Ca 0.64 0.59 0.02 0.00 -1.10 0.00 0.00 60.65 60.80 1hdn s ILE 63 Cb -0.09 -4.75 -0.02 0.00 -1.06 0.00 0.00 42.46 36.55 1hdn s ILE 63 CO 0.08 -1.46 -0.16 -0.55 -0.10 0.00 0.00 174.94 172.75 1hdn s SER 64 N 3.21 3.77 -0.12 3.58 0.15 0.11 -1.09 113.70 123.31 1hdn s SER 64 Ca 0.37 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.68 1hdn s SER 64 Cb -0.09 -1.25 0.02 0.00 -1.71 0.00 0.00 66.02 63.00 1hdn s SER 64 CO 0.21 0.23 -0.09 0.00 1.20 0.00 0.00 173.24 174.79 1hdn s ALA 65 N -0.04 1.42 -0.22 5.45 0.00 0.68 -0.38 121.76 128.66 1hdn s ALA 65 Ca -0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 1hdn s ALA 65 Cb -0.14 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.05 1hdn s ALA 65 CO 0.04 -0.41 -0.09 -1.21 0.00 0.00 0.00 175.76 174.10 1hdn s GLU 66 N 1.66 3.06 0.00 0.00 2.02 -0.56 -1.35 118.70 123.54 1hdn s GLU 66 Ca 0.05 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1hdn s GLU 66 Cb -0.13 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1hdn s GLU 66 CO -0.09 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.32 1hdn n GLY 67 N 4.70 0.75 0.07 -1.39 0.00 -1.26 0.17 105.19 108.24 1hdn n GLY 67 Ca -0.18 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.16 -1.95 1.61 3.07 -1.96 -3.36 114.58 111.83 1hdn h GLU 68 Ca 0.00 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 1hdn h GLU 68 Cb 0.00 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1hdn h GLU 68 CO 0.00 -0.11 0.02 -0.40 -1.40 0.00 0.00 179.01 177.13 1hdn n ASP 69 N -2.69 5.46 -0.07 1.42 5.68 -1.26 -4.70 116.55 120.39 1hdn n ASP 69 Ca -0.02 -2.48 -0.10 0.00 -0.50 0.00 0.00 54.79 51.69 1hdn n ASP 69 Cb 0.06 -1.14 -0.07 0.00 -1.14 0.00 0.00 41.12 38.84 1hdn n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1hdn h GLU 70 N 1.15 -0.32 -0.66 0.11 4.11 -1.86 -1.47 114.58 115.64 1hdn h GLU 70 Ca 0.04 0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.42 1hdn h GLU 70 Cb 1.01 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1hdn h GLU 70 CO 0.09 -0.21 0.14 1.96 0.07 0.00 0.00 179.01 181.05 1hdn h GLN 71 N -0.33 1.07 -0.16 1.06 4.20 -1.88 -2.66 115.11 116.40 1hdn h GLN 71 Ca 0.04 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1hdn h GLN 71 Cb 0.45 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1hdn h GLN 71 CO -0.39 0.97 0.10 -0.22 -0.67 0.00 0.00 178.83 178.61 1hdn h LYS 72 N 0.99 0.20 -0.02 1.46 3.64 -1.79 0.19 116.57 121.23 1hdn h LYS 72 Ca 0.20 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1hdn h LYS 72 Cb 0.39 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1hdn h LYS 72 CO 0.01 0.13 -0.12 0.00 -2.27 0.00 0.00 179.45 177.20 1hdn h ALA 73 N 1.07 -0.12 0.36 5.00 0.00 -1.14 -1.51 119.26 122.91 1hdn h ALA 73 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1hdn h ALA 73 Cb -0.01 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hdn h ALA 73 CO -0.03 -0.60 -0.17 0.28 0.00 0.00 0.00 179.25 178.73 1hdn h VAL 74 N -0.19 0.66 -0.41 0.00 2.07 -1.07 -1.36 116.25 115.95 1hdn h VAL 74 Ca 0.05 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.48 1hdn h VAL 74 Cb 0.26 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 1hdn h VAL 74 CO -0.14 0.04 -0.15 -0.08 0.02 0.00 0.00 177.57 177.26 1hdn h GLU 75 N -0.57 -0.06 0.87 1.57 4.81 -0.53 0.61 114.58 121.28 1hdn h GLU 75 Ca -0.05 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1hdn h GLU 75 Cb 0.43 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.83 1hdn h GLU 75 CO 0.08 -0.04 -0.42 1.25 -0.73 0.00 0.00 179.01 179.15 1hdn h HIS 76 N -0.06 -1.08 -0.60 0.92 2.76 -1.23 -2.69 115.15 113.17 1hdn h HIS 76 Ca 0.20 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1hdn h HIS 76 Cb 0.37 0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.65 1hdn h HIS 76 CO -0.40 -0.67 0.30 -0.07 -1.30 0.00 0.00 177.93 175.79 1hdn h LEU 77 N -1.21 0.76 -0.16 0.26 3.38 -0.89 -1.05 115.31 116.40 1hdn h LEU 77 Ca -0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1hdn h LEU 77 Cb 0.89 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1hdn h LEU 77 CO 0.20 0.63 0.03 0.58 0.09 0.00 0.00 178.44 179.97 1hdn h VAL 78 N 0.85 1.22 -0.03 1.22 2.07 -0.91 0.26 116.25 120.91 1hdn h VAL 78 Ca 0.21 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1hdn h VAL 78 Cb 0.07 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1hdn h VAL 78 CO -0.03 0.21 -0.01 0.11 0.02 0.00 0.00 177.57 177.86 1hdn h LYS 79 N 0.05 -0.01 -0.29 1.57 1.57 -1.08 -1.89 116.57 116.49 1hdn h LYS 79 Ca 0.05 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1hdn h LYS 79 Cb 0.29 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 1hdn h LYS 79 CO 0.00 -0.01 -0.17 1.25 -0.57 0.00 0.00 179.45 179.96 1hdn h LEU 80 N -0.01 -0.55 -0.24 2.94 5.85 -1.18 -0.24 115.31 121.88 1hdn h LEU 80 Ca 0.02 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.92 1hdn h LEU 80 Cb 0.04 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1hdn h LEU 80 CO -0.04 -0.20 -0.20 -0.03 -0.34 0.00 0.00 178.44 177.63 1hdn h MET 81 N -0.14 -0.19 0.00 1.25 4.05 -0.81 -1.33 114.93 117.75 1hdn h MET 81 Ca 0.15 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.50 1hdn h MET 81 Cb 0.37 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 1hdn h MET 81 CO -0.37 -0.13 -0.38 0.00 0.23 0.00 0.00 176.91 176.26 1hdn h ALA 82 N 0.90 1.20 0.00 0.39 0.00 -0.42 -3.19 119.26 118.14 1hdn h ALA 82 Ca 0.14 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1hdn h ALA 82 Cb 0.41 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hdn h ALA 82 CO -0.36 0.48 -0.91 0.93 0.00 0.00 0.00 179.25 179.39 1hdn h GLU 83 N 0.00 0.00 -5.84 0.00 5.08 -0.76 -3.47 114.58 109.59 1hdn h GLU 83 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1hdn h GLU 83 Cb 0.75 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.92 1hdn h GLU 83 CO 0.05 0.01 0.19 -0.51 -1.00 0.00 0.00 179.01 177.74 1hdn s LEU 84 N -5.46 4.20 0.00 1.33 1.43 -0.53 -5.07 118.68 114.57 1hdn s LEU 84 Ca 0.00 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1hdn s LEU 84 Cb 0.09 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1hdn s LEU 84 CO 0.78 -0.27 0.08 1.21 0.23 0.00 0.00 176.35 178.39