#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 3.02 -0.22 1.12 5.36 -0.10 -4.96 117.98 122.21 1hdn s PHE 2 Ca 0.00 -0.64 -0.04 0.00 -0.96 0.00 0.00 56.93 55.29 1hdn s PHE 2 Cb 0.00 -2.15 -0.01 0.00 -0.34 0.00 0.00 43.02 40.52 1hdn s PHE 2 CO 0.00 -0.41 -0.04 -0.65 -1.46 0.00 0.00 175.22 172.65 1hdn s GLN 3 N 1.44 3.39 -0.14 10.12 -0.21 -1.26 -0.94 119.66 132.05 1hdn s GLN 3 Ca 0.05 -0.62 0.02 0.00 0.02 0.00 0.00 55.36 54.83 1hdn s GLN 3 Cb -0.15 -3.00 0.02 0.00 1.00 0.00 0.00 33.01 30.88 1hdn s GLN 3 CO 0.00 -0.17 -0.19 -1.14 -2.12 0.00 0.00 175.29 171.68 1hdn s GLN 4 N 1.41 2.71 -0.17 2.91 2.00 -0.71 -4.95 119.66 122.86 1hdn s GLN 4 Ca 0.05 -0.73 -0.23 0.00 -2.00 0.00 0.00 55.36 52.45 1hdn s GLN 4 Cb -0.14 -2.29 -0.02 0.00 0.80 0.00 0.00 33.01 31.36 1hdn s GLN 4 CO -0.03 -0.11 0.74 -1.21 -0.50 0.00 0.00 175.29 174.18 1hdn s GLU 5 N 1.09 4.27 -0.05 1.67 2.02 -1.26 -0.49 118.70 125.96 1hdn s GLU 5 Ca -0.02 0.85 0.03 0.00 0.02 0.00 0.00 54.97 55.85 1hdn s GLU 5 Cb -0.14 -3.57 0.01 0.00 0.10 0.00 0.00 34.13 30.53 1hdn s GLU 5 CO -0.06 -0.27 -0.12 0.08 0.02 0.00 0.00 175.26 174.91 1hdn s VAL 6 N 1.97 1.10 -0.28 2.63 1.01 0.28 -4.96 120.40 122.14 1hdn s VAL 6 Ca 0.34 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 1hdn s VAL 6 Cb -0.16 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1hdn s VAL 6 CO 0.12 0.33 0.79 0.42 0.00 0.00 0.00 175.10 176.76 1hdn s THR 7 N 0.35 4.82 -0.33 3.92 -4.23 -1.26 -0.44 115.64 118.48 1hdn s THR 7 Ca -0.08 1.29 -0.13 0.00 -1.18 0.00 0.00 61.69 61.60 1hdn s THR 7 Cb -0.12 -4.12 -0.02 0.00 1.34 0.00 0.00 72.50 69.58 1hdn s THR 7 CO 0.02 -0.17 0.23 -0.63 -0.54 0.00 0.00 174.62 173.53 1hdn s ILE 8 N 2.88 5.28 -0.07 2.99 1.01 0.29 -4.86 121.20 128.73 1hdn s ILE 8 Ca 0.33 -0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.92 1hdn s ILE 8 Cb -0.15 -3.68 0.15 0.00 0.01 0.00 0.00 42.46 38.80 1hdn s ILE 8 CO 0.11 0.04 1.04 0.35 0.00 0.00 0.00 174.94 176.47 1hdn n THR 9 N 5.10 1.26 -3.03 2.92 -2.24 -1.26 -1.12 114.28 115.90 1hdn n THR 9 Ca -0.13 -1.46 -0.40 0.00 -2.27 0.00 0.00 64.05 59.80 1hdn n THR 9 Cb 0.50 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.78 3.39 0.43 6.98 0.00 -1.26 -4.63 121.76 124.89 1hdn s ALA 10 Ca 0.17 0.22 0.21 0.00 0.00 0.00 0.00 51.96 52.56 1hdn s ALA 10 Cb 0.15 -2.94 1.18 0.00 0.00 0.00 0.00 23.12 21.51 1hdn s ALA 10 CO 0.02 0.07 1.79 -1.35 0.00 0.00 0.00 175.76 176.29 1hdn h PRO 11 N 5.73 0.31 0.08 0.00 0.11 -1.97 -1.81 132.00 134.45 1hdn h PRO 11 Ca -0.44 -0.02 -0.36 0.00 0.11 0.00 0.00 66.00 65.29 1hdn h PRO 11 Cb 1.20 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1hdn h PRO 11 CO 0.71 0.21 -2.02 0.27 -0.21 0.00 0.00 178.00 176.95 1hdn n ASN 12 N -4.54 2.06 0.00 -2.05 6.94 -1.26 -4.47 115.26 111.94 1hdn n ASN 12 Ca 0.24 0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.98 1hdn n ASN 12 Cb 0.91 -0.79 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1hdn n ASN 12 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hdn n GLY 13 N 1.94 3.21 3.46 4.83 0.00 -0.90 -4.37 105.19 113.36 1hdn n GLY 13 Ca -0.36 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 4.74 0.00 0.99 2.96 -0.09 -4.49 118.68 122.79 1hdn s LEU 14 Ca 0.00 -1.63 0.00 0.00 -0.22 0.00 0.00 54.13 52.28 1hdn s LEU 14 Cb 0.00 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.28 1hdn s LEU 14 CO 0.00 -1.22 0.00 0.00 -1.32 0.00 0.00 176.35 173.81 1hdn n HIS 15 N 7.08 0.00 0.00 5.38 1.44 -1.26 -4.61 115.22 123.25 1hdn n HIS 15 Ca 0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 1hdn n HIS 15 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 1hdn n HIS 15 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1hdn n THR 16 N 0.00 0.00 0.02 0.61 -2.24 -1.26 -0.49 114.28 110.93 1hdn n THR 16 Ca 0.00 1.38 0.02 0.00 -2.27 0.00 0.00 64.05 63.18 1hdn n THR 16 Cb 0.00 -2.31 0.37 0.00 -2.10 0.00 0.00 70.33 66.29 1hdn n THR 16 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1hdn h ARG 17 N 0.00 0.48 -0.37 -0.78 0.11 -1.98 -0.99 114.38 110.84 1hdn h ARG 17 Ca 0.00 -0.07 0.04 0.00 0.10 0.00 0.00 59.98 60.05 1hdn h ARG 17 Cb 0.00 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 30.95 1hdn h ARG 17 CO 0.00 0.43 0.15 -1.35 0.10 0.00 0.00 179.97 179.29 1hdn h PRO 18 N 0.47 0.30 -0.82 0.08 0.11 -1.90 -2.55 132.00 127.69 1hdn h PRO 18 Ca 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1hdn h PRO 18 Cb 0.16 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.16 1hdn h PRO 18 CO -0.01 0.20 0.53 0.00 -0.21 0.00 0.00 178.00 178.51 1hdn h ALA 19 N 1.23 1.05 -0.54 -0.75 0.00 -0.39 -1.16 119.26 118.69 1hdn h ALA 19 Ca 0.17 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1hdn h ALA 19 Cb 0.12 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 1hdn h ALA 19 CO -0.15 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.70 1hdn h ALA 20 N 1.29 0.63 -0.01 0.00 0.00 -0.95 0.14 119.26 120.35 1hdn h ALA 20 Ca 0.30 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1hdn h ALA 20 Cb -0.10 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1hdn h ALA 20 CO -0.06 -0.28 0.01 1.96 0.00 0.00 0.00 179.25 180.87 1hdn h GLN 21 N 0.28 0.02 -0.40 0.00 4.20 -1.16 -2.45 115.11 115.60 1hdn h GLN 21 Ca 0.27 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.04 1hdn h GLN 21 Cb 0.36 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.08 1hdn h GLN 21 CO -0.33 0.15 0.05 0.35 -0.67 0.00 0.00 178.83 178.38 1hdn h PHE 22 N -0.11 0.07 -0.04 2.96 3.57 -0.78 -2.07 116.94 120.54 1hdn h PHE 22 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1hdn h PHE 22 Cb 0.14 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1hdn h PHE 22 CO -0.03 -0.02 0.00 0.28 -2.23 0.00 0.00 178.31 176.31 1hdn h VAL 23 N 0.17 0.97 -0.15 1.41 2.07 -0.71 0.15 116.25 120.16 1hdn h VAL 23 Ca 0.19 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.76 1hdn h VAL 23 Cb 0.25 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1hdn h VAL 23 CO -0.28 0.00 -0.21 0.50 0.02 0.00 0.00 177.57 177.61 1hdn h LYS 24 N 0.02 -0.24 -0.19 1.57 3.11 -1.00 -0.59 116.57 119.24 1hdn h LYS 24 Ca 0.02 0.02 -0.19 0.00 -2.81 0.00 0.00 60.65 57.68 1hdn h LYS 24 Cb 0.02 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1hdn h LYS 24 CO -0.03 -0.16 -0.65 1.49 -2.81 0.00 0.00 179.45 177.28 1hdn h GLU 25 N -0.25 0.70 -1.00 1.90 4.57 -1.21 -3.14 114.58 116.16 1hdn h GLU 25 Ca 0.11 -0.50 0.03 0.00 -1.18 0.00 0.00 59.36 57.81 1hdn h GLU 25 Cb 0.41 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.03 1hdn h GLU 25 CO -0.30 1.12 0.65 0.00 -1.18 0.00 0.00 179.01 179.31 1hdn h ALA 26 N 0.75 1.34 0.00 2.92 0.00 -0.52 -0.58 119.26 123.17 1hdn h ALA 26 Ca -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hdn h ALA 26 Cb 1.25 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1hdn h ALA 26 CO 0.13 0.57 -0.01 0.87 0.00 0.00 0.00 179.25 180.82 1hdn h LYS 27 N 1.28 0.00 -0.18 0.00 1.79 -1.06 -2.07 116.57 116.33 1hdn h LYS 27 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1hdn h LYS 27 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1hdn h LYS 27 CO -0.12 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.67 1hdn n GLY 28 N -0.98 0.40 3.38 3.86 0.00 -0.23 -4.82 105.19 106.80 1hdn n GLY 28 Ca -0.03 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.78 2.78 0.08 1.61 0.08 -0.78 -5.04 117.98 114.92 1hdn s PHE 29 Ca 0.33 -0.58 -0.20 0.00 0.12 0.00 0.00 56.93 56.60 1hdn s PHE 29 Cb 0.18 -1.80 -0.10 0.00 -0.57 0.00 0.00 43.02 40.73 1hdn s PHE 29 CO 0.27 -0.15 1.57 1.79 -0.10 0.00 0.00 175.22 178.60 1hdn h THR 30 N 5.23 1.20 -1.53 0.64 1.35 -1.88 -3.44 112.91 114.49 1hdn h THR 30 Ca -0.29 -0.63 -0.70 0.00 -0.55 0.00 0.00 66.41 64.23 1hdn h THR 30 Cb 1.20 1.29 0.06 0.00 -1.73 0.00 0.00 68.15 68.97 1hdn h THR 30 CO 0.54 0.19 0.34 -1.20 -0.25 0.00 0.00 175.52 175.15 1hdn n SER 31 N -4.80 1.21 -4.61 5.36 7.64 -1.26 -4.90 113.62 112.26 1hdn n SER 31 Ca -0.05 1.13 -0.43 0.00 1.01 0.00 0.00 58.87 60.54 1hdn n SER 31 Cb 0.16 -1.13 -0.02 0.00 -1.01 0.00 0.00 64.21 62.21 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 0.31 3.82 -0.66 1.43 2.56 0.47 -4.77 118.70 121.86 1hdn s GLU 32 Ca 0.85 0.70 -0.18 0.00 0.00 0.00 0.00 54.97 56.34 1hdn s GLU 32 Cb -1.02 -3.86 0.12 0.00 2.00 0.00 0.00 34.13 31.37 1hdn s GLU 32 CO 0.50 -1.23 0.75 0.42 -0.56 0.00 0.00 175.26 175.14 1hdn s ILE 33 N 4.17 4.93 -0.58 -3.70 1.09 -1.26 -1.14 121.20 124.71 1hdn s ILE 33 Ca 0.46 -1.28 -0.25 0.00 -1.10 0.00 0.00 60.65 58.48 1hdn s ILE 33 Cb -0.09 -4.52 0.04 0.00 -1.06 0.00 0.00 42.46 36.84 1hdn s ILE 33 CO 0.26 -1.15 1.03 -0.89 -0.10 0.00 0.00 174.94 174.10 1hdn s THR 34 N 2.31 4.24 -0.87 2.92 2.01 -0.03 -0.55 115.64 125.67 1hdn s THR 34 Ca 0.14 0.40 -0.21 0.00 0.31 0.00 0.00 61.69 62.33 1hdn s THR 34 Cb -0.20 -4.63 0.10 0.00 0.01 0.00 0.00 72.50 67.78 1hdn s THR 34 CO 0.02 -1.25 1.14 -0.69 -0.69 0.00 0.00 174.62 173.15 1hdn s VAL 35 N 4.34 4.47 -0.79 3.82 1.01 0.80 -0.55 120.40 133.50 1hdn s VAL 35 Ca 0.33 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1hdn s VAL 35 Cb -0.11 -4.80 0.18 0.00 0.00 0.00 0.00 36.38 31.65 1hdn s VAL 35 CO 0.20 -1.57 0.80 -0.89 0.00 0.00 0.00 175.10 173.63 1hdn s THR 36 N 3.48 5.33 -0.48 3.92 2.01 -0.44 -1.06 115.64 128.41 1hdn s THR 36 Ca 0.32 -2.06 -0.23 0.00 0.31 0.00 0.00 61.69 60.04 1hdn s THR 36 Cb -0.07 -4.51 0.03 0.00 0.01 0.00 0.00 72.50 67.96 1hdn s THR 36 CO -0.04 -1.11 0.79 -0.94 -0.69 0.00 0.00 174.62 172.63 1hdn s SER 37 N 2.73 6.36 -0.65 3.53 1.04 -0.39 -0.48 113.70 125.84 1hdn s SER 37 Ca 0.18 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.30 1hdn s SER 37 Cb -0.13 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1hdn s SER 37 CO -0.06 -0.97 0.49 0.59 0.98 0.00 0.00 173.24 174.27 1hdn n ASN 38 N 6.78 -3.95 0.00 7.02 4.13 -0.23 -1.79 115.26 127.23 1hdn n ASN 38 Ca 0.01 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.51 1hdn n ASN 38 Cb 0.48 -1.30 0.00 0.00 -1.54 0.00 0.00 39.78 37.42 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 -1.34 2.67 3.55 7.41 0.00 -1.26 -4.97 105.19 111.25 1hdn n GLY 39 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.03 3.49 -0.23 1.61 1.02 -0.74 -5.00 119.74 119.87 1hdn s LYS 40 Ca 0.00 -0.02 -0.13 0.00 0.02 0.00 0.00 55.97 55.83 1hdn s LYS 40 Cb 0.00 -3.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 1hdn s LYS 40 CO 0.00 -1.03 0.30 -1.54 -0.92 0.00 0.00 175.35 172.16 1hdn s SER 41 N 2.04 6.27 -0.00 2.83 1.04 -1.26 -1.26 113.70 123.36 1hdn s SER 41 Ca 0.29 0.31 0.03 0.00 0.48 0.00 0.00 55.95 57.06 1hdn s SER 41 Cb -0.13 -2.18 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 1hdn s SER 41 CO 0.21 -0.04 -0.10 0.00 0.98 0.00 0.00 173.24 174.29 1hdn s ALA 42 N 1.35 0.81 0.03 5.32 0.00 -0.22 -4.98 121.76 124.07 1hdn s ALA 42 Ca 0.14 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 1hdn s ALA 42 Cb -0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1hdn s ALA 42 CO 0.07 0.19 1.30 0.45 0.00 0.00 0.00 175.76 177.77 1hdn s SER 43 N -0.30 6.96 0.66 0.00 0.15 -1.26 -0.14 113.70 119.76 1hdn s SER 43 Ca 0.03 2.07 0.36 0.00 0.70 0.00 0.00 55.95 59.11 1hdn s SER 43 Cb -0.04 -2.57 1.98 0.00 -1.71 0.00 0.00 66.02 63.67 1hdn s SER 43 CO -0.00 -0.60 2.13 0.00 1.20 0.00 0.00 173.24 175.97 1hdn h ALA 44 N 7.22 1.26 -0.00 5.45 0.00 -1.19 -2.00 119.26 129.99 1hdn h ALA 44 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1hdn h ALA 44 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1hdn h ALA 44 CO 0.86 -0.19 -0.22 1.63 0.00 0.00 0.00 179.25 181.32 1hdn n LYS 45 N -3.09 0.14 -3.78 0.00 5.02 -1.26 -3.73 118.16 111.46 1hdn n LYS 45 Ca -0.02 -0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.85 1hdn n LYS 45 Cb 0.25 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.63 1hdn n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hdn s SER 46 N -2.90 5.24 0.10 4.39 0.15 -0.75 -4.91 113.70 115.01 1hdn s SER 46 Ca 0.16 -1.39 -0.20 0.00 0.70 0.00 0.00 55.95 55.21 1hdn s SER 46 Cb 0.19 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.62 1hdn s SER 46 CO 0.59 -0.38 1.28 0.18 1.20 0.00 0.00 173.24 176.11 1hdn n LEU 47 N 4.73 -0.68 -0.09 3.45 4.77 -1.26 -1.36 117.00 126.56 1hdn n LEU 47 Ca -0.10 1.43 -0.09 0.00 -0.03 0.00 0.00 56.01 57.22 1hdn n LEU 47 Cb 0.43 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1hdn n LEU 47 CO 0.31 -1.08 0.63 0.15 -1.33 0.00 0.00 177.39 176.08 1hdn h PHE 48 N 0.00 -0.97 0.12 -1.77 3.57 -1.96 0.14 116.94 116.07 1hdn h PHE 48 Ca 0.10 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1hdn h PHE 48 Cb 0.26 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1hdn h PHE 48 CO -0.94 -0.40 -0.21 0.87 -2.23 0.00 0.00 178.31 175.40 1hdn h LYS 49 N -0.30 -0.39 -0.15 1.11 1.57 -1.81 -2.41 116.57 114.19 1hdn h LYS 49 Ca 0.15 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1hdn h LYS 49 Cb 0.55 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1hdn h LYS 49 CO -0.51 -0.26 0.07 1.25 -0.57 0.00 0.00 179.45 179.44 1hdn h LEU 50 N -0.41 0.19 -2.59 2.94 5.85 -0.62 -2.45 115.31 118.22 1hdn h LEU 50 Ca 0.02 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1hdn h LEU 50 Cb 0.42 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1hdn h LEU 50 CO -0.11 0.26 0.00 1.56 -0.34 0.00 0.00 178.44 179.80 1hdn h GLN 51 N 0.11 0.00 -0.16 1.25 4.20 -0.73 -2.05 115.11 117.74 1hdn h GLN 51 Ca 0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1hdn h GLN 51 Cb 0.12 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1hdn h GLN 51 CO -0.01 0.00 -0.00 0.25 -0.67 0.00 0.00 178.83 178.40 1hdn n THR 52 N -3.01 2.14 -4.96 -0.54 -2.24 -0.91 -4.97 114.28 99.79 1hdn n THR 52 Ca -0.02 -2.06 -0.32 0.00 -2.27 0.00 0.00 64.05 59.38 1hdn n THR 52 Cb 0.11 -0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.86 2.54 -0.71 3.22 2.96 -0.77 -5.05 118.68 118.02 1hdn s LEU 53 Ca 0.38 -0.33 -0.26 0.00 -0.22 0.00 0.00 54.13 53.70 1hdn s LEU 53 Cb 0.32 -1.52 -0.11 0.00 0.50 0.00 0.00 46.19 45.37 1hdn s LEU 53 CO 0.06 0.25 2.38 -0.83 -1.32 0.00 0.00 176.35 176.90 1hdn s GLY 54 N -0.19 -0.66 -0.42 7.98 0.00 -1.26 -4.82 107.32 107.95 1hdn s GLY 54 Ca -0.01 -0.59 0.06 0.00 0.00 0.00 0.00 44.72 44.19 1hdn s GLY 54 CO 0.03 4.17 1.10 1.04 0.00 0.00 0.00 173.10 179.44 1hdn n LEU 55 N 17.63 4.45 0.00 0.66 4.77 -1.26 -4.83 117.00 138.42 1hdn n LEU 55 Ca 0.43 -5.06 0.00 0.00 -0.03 0.00 0.00 56.01 51.35 1hdn n LEU 55 Cb 0.47 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1hdn n LEU 55 CO 0.60 2.17 0.00 1.07 -1.33 0.00 0.00 177.39 179.90 1hdn n THR 56 N -0.46 0.00 -1.54 -5.08 5.66 -1.26 -0.91 114.28 110.68 1hdn n THR 56 Ca 0.37 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 60.87 1hdn n THR 56 Cb 0.69 -0.01 -0.04 0.00 -1.55 0.00 0.00 70.33 69.42 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 0.00 0.85 -3.95 1.09 -0.06 -0.73 -3.31 117.38 111.26 1hdn n GLN 57 Ca 0.00 0.30 -0.31 0.00 -2.00 0.00 0.00 57.00 54.99 1hdn n GLN 57 Cb 0.00 -1.71 0.02 0.00 -4.06 0.00 0.00 30.24 24.49 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 1.88 -0.49 3.26 1.69 0.00 -0.72 -4.90 105.19 105.92 1hdn n GLY 58 Ca 0.16 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.30 2.52 -0.33 2.61 2.01 -0.27 -4.98 115.64 113.89 1hdn s THR 59 Ca 0.67 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.72 1hdn s THR 59 Cb -0.34 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 1hdn s THR 59 CO 0.84 0.53 0.22 -0.69 -0.69 0.00 0.00 174.62 174.84 1hdn s VAL 60 N 0.60 5.20 -0.22 3.82 1.01 -1.26 -0.55 120.40 129.00 1hdn s VAL 60 Ca -0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 1hdn s VAL 60 Cb -0.16 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1hdn s VAL 60 CO 0.03 0.03 0.08 0.54 0.00 0.00 0.00 175.10 175.78 1hdn s VAL 61 N 1.71 4.66 -0.56 2.92 0.11 0.42 -1.07 120.40 128.59 1hdn s VAL 61 Ca 0.06 -0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 58.84 1hdn s VAL 61 Cb -0.17 -3.14 0.07 0.00 -1.53 0.00 0.00 36.38 31.60 1hdn s VAL 61 CO 0.10 0.39 0.75 -0.89 -3.33 0.00 0.00 175.10 172.11 1hdn s THR 62 N 1.03 4.70 -1.00 5.04 2.01 0.36 -0.56 115.64 127.23 1hdn s THR 62 Ca 0.04 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.33 1hdn s THR 62 Cb -0.14 -4.45 0.03 0.00 0.01 0.00 0.00 72.50 67.95 1hdn s THR 62 CO 0.03 -1.04 1.56 -0.63 -0.69 0.00 0.00 174.62 173.85 1hdn s ILE 63 N 3.07 3.82 -0.88 1.82 1.09 0.36 -1.32 121.20 129.17 1hdn s ILE 63 Ca 0.18 -0.69 -0.17 0.00 -1.10 0.00 0.00 60.65 58.87 1hdn s ILE 63 Cb -0.19 -4.84 0.17 0.00 -1.06 0.00 0.00 42.46 36.54 1hdn s ILE 63 CO 0.11 -1.73 0.96 -0.55 -0.10 0.00 0.00 174.94 173.63 1hdn s SER 64 N 5.61 6.67 -0.35 3.58 0.15 0.29 -1.73 113.70 127.92 1hdn s SER 64 Ca 0.51 -2.31 -0.16 0.00 0.70 0.00 0.00 55.95 54.69 1hdn s SER 64 Cb -0.01 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 1hdn s SER 64 CO -0.08 -0.85 0.42 0.00 1.20 0.00 0.00 173.24 173.93 1hdn s ALA 65 N 1.59 3.48 -0.28 5.45 0.00 -0.12 -0.85 121.76 131.04 1hdn s ALA 65 Ca 0.26 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1hdn s ALA 65 Cb -0.08 -2.91 0.07 0.00 0.00 0.00 0.00 23.12 20.21 1hdn s ALA 65 CO -0.09 -1.18 -0.07 -1.83 0.00 0.00 0.00 175.76 172.60 1hdn s GLU 66 N 2.15 2.03 0.00 0.00 -1.05 -0.29 -0.92 118.70 120.61 1hdn s GLU 66 Ca 0.14 -1.46 0.00 0.00 -0.15 0.00 0.00 54.97 53.50 1hdn s GLU 66 Cb -0.16 -2.95 0.00 0.00 -0.44 0.00 0.00 34.13 30.58 1hdn s GLU 66 CO 0.12 -0.66 0.00 0.41 0.95 0.00 0.00 175.26 176.08 1hdn n GLY 67 N 4.40 -0.51 0.31 -3.83 0.00 -1.26 -0.40 105.19 103.90 1hdn n GLY 67 Ca -0.10 -0.97 0.04 0.00 0.00 0.00 0.00 46.02 44.99 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 0.73 -1.63 1.61 5.08 -1.96 -3.04 114.58 115.37 1hdn h GLU 68 Ca 0.00 -0.04 -0.61 0.00 -1.00 0.00 0.00 59.36 57.71 1hdn h GLU 68 Cb 0.00 -0.17 -0.40 0.00 0.50 0.00 0.00 28.75 28.68 1hdn h GLU 68 CO 0.00 0.49 -0.54 -0.40 -1.00 0.00 0.00 179.01 177.56 1hdn n ASP 69 N -4.77 4.99 -0.06 1.42 5.68 -1.26 -4.94 116.55 117.61 1hdn n ASP 69 Ca 0.14 -3.73 -0.08 0.00 -0.50 0.00 0.00 54.79 50.63 1hdn n ASP 69 Cb 0.31 -0.53 -0.02 0.00 -1.14 0.00 0.00 41.12 39.74 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 2.66 -0.02 -0.19 0.11 4.11 -1.83 -1.78 114.58 117.65 1hdn h GLU 70 Ca 0.32 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.65 1hdn h GLU 70 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1hdn h GLU 70 CO 0.91 -0.01 -0.32 1.96 0.07 0.00 0.00 179.01 181.61 1hdn h GLN 71 N -0.02 0.38 -0.38 1.06 4.20 -1.91 -2.33 115.11 116.11 1hdn h GLN 71 Ca 0.12 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1hdn h GLN 71 Cb 0.20 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1hdn h GLN 71 CO -0.26 0.66 0.21 -0.22 -0.67 0.00 0.00 178.83 178.55 1hdn h LYS 72 N 0.33 0.53 -0.25 1.46 3.64 -1.77 -0.23 116.57 120.29 1hdn h LYS 72 Ca 0.04 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1hdn h LYS 72 Cb 0.73 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1hdn h LYS 72 CO 0.06 0.43 0.14 0.00 -2.27 0.00 0.00 179.45 177.81 1hdn h ALA 73 N 1.07 0.30 0.43 5.00 0.00 -1.27 -3.14 119.26 121.65 1hdn h ALA 73 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1hdn h ALA 73 Cb 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hdn h ALA 73 CO -0.02 -0.25 -0.26 0.28 0.00 0.00 0.00 179.25 179.00 1hdn h VAL 74 N 0.29 0.47 -0.48 0.00 2.07 -0.95 -1.89 116.25 115.76 1hdn h VAL 74 Ca 0.10 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.71 1hdn h VAL 74 Cb -0.00 0.47 -0.10 0.00 -1.52 0.00 0.00 31.29 30.14 1hdn h VAL 74 CO -0.05 0.00 -0.21 -0.08 0.02 0.00 0.00 177.57 177.25 1hdn h GLU 75 N -0.65 -0.10 -0.08 1.57 4.81 -1.08 -1.46 114.58 117.58 1hdn h GLU 75 Ca -0.05 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1hdn h GLU 75 Cb 0.53 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1hdn h GLU 75 CO 0.05 -0.07 -0.25 1.25 -0.73 0.00 0.00 179.01 179.26 1hdn h HIS 76 N -0.11 0.42 0.00 0.92 2.76 -1.51 -3.21 115.15 114.42 1hdn h HIS 76 Ca 0.23 -0.17 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 1hdn h HIS 76 Cb 0.46 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 1hdn h HIS 76 CO -0.49 0.87 -0.29 -0.07 -1.30 0.00 0.00 177.93 176.66 1hdn h LEU 77 N -0.16 0.00 0.13 0.26 3.38 -0.96 -2.36 115.31 115.60 1hdn h LEU 77 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1hdn h LEU 77 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1hdn h LEU 77 CO 0.05 0.29 -0.16 0.58 0.09 0.00 0.00 178.44 179.30 1hdn h VAL 78 N 0.00 0.65 -0.10 1.22 2.07 -1.36 -1.24 116.25 117.48 1hdn h VAL 78 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1hdn h VAL 78 Cb 0.66 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1hdn h VAL 78 CO 0.04 0.00 -0.37 0.11 0.02 0.00 0.00 177.57 177.37 1hdn h LYS 79 N -0.33 -0.45 0.36 1.57 1.57 -1.43 -0.96 116.57 116.90 1hdn h LYS 79 Ca 0.01 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1hdn h LYS 79 Cb 0.33 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1hdn h LYS 79 CO -0.06 -0.30 -0.48 -0.07 -0.57 0.00 0.00 179.45 177.97 1hdn h LEU 80 N -0.46 -1.36 -0.42 2.94 3.38 -1.47 -2.23 115.31 115.68 1hdn h LEU 80 Ca 0.08 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.26 1hdn h LEU 80 Cb 0.59 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 1hdn h LEU 80 CO -0.36 -0.60 -0.08 -0.03 0.09 0.00 0.00 178.44 177.46 1hdn h MET 81 N -0.88 0.02 -0.11 1.13 4.05 -0.86 -2.12 114.93 116.17 1hdn h MET 81 Ca -0.03 -0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.25 1hdn h MET 81 Cb 0.81 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 1hdn h MET 81 CO -0.13 0.02 -0.54 0.00 0.23 0.00 0.00 176.91 176.48 1hdn h ALA 82 N 1.40 0.89 -0.37 0.39 0.00 -1.05 -3.33 119.26 117.20 1hdn h ALA 82 Ca 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1hdn h ALA 82 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1hdn h ALA 82 CO -0.41 0.68 0.00 0.39 0.00 0.00 0.00 179.25 179.92 1hdn n GLU 83 N -3.93 3.43 -4.00 0.00 1.02 -0.84 -4.93 120.64 111.38 1hdn n GLU 83 Ca -0.02 -2.85 -0.36 0.00 -0.02 0.00 0.00 57.16 53.91 1hdn n GLU 83 Cb 0.58 -1.89 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.56 4.12 0.00 -4.62 1.43 -0.95 -5.01 118.68 111.08 1hdn s LEU 84 Ca 0.44 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1hdn s LEU 84 Cb 0.34 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1hdn s LEU 84 CO 0.12 0.36 0.00 -0.62 0.23 0.00 0.00 176.35 176.44