#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 2.13 -0.04 1.12 5.36 0.84 -4.99 117.98 122.40 1hdn s PHE 2 Ca 0.00 -0.60 0.06 0.00 -0.96 0.00 0.00 56.93 55.43 1hdn s PHE 2 Cb 0.00 -1.40 -0.01 0.00 -0.34 0.00 0.00 43.02 41.26 1hdn s PHE 2 CO 0.00 -0.18 -0.24 -0.65 -1.46 0.00 0.00 175.22 172.69 1hdn s GLN 3 N -0.13 2.21 -0.10 10.12 -0.21 -1.26 -0.19 119.66 130.10 1hdn s GLN 3 Ca -0.02 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.51 1hdn s GLN 3 Cb -0.12 -1.98 0.02 0.00 1.00 0.00 0.00 33.01 31.93 1hdn s GLN 3 CO 0.03 0.42 -0.11 -0.65 -2.12 0.00 0.00 175.29 172.86 1hdn s GLN 4 N -0.30 1.76 -0.61 2.91 -1.52 -0.84 -4.94 119.66 116.12 1hdn s GLN 4 Ca 0.02 -0.38 -0.18 0.00 -1.95 0.00 0.00 55.36 52.87 1hdn s GLN 4 Cb -0.12 -1.64 0.12 0.00 -0.22 0.00 0.00 33.01 31.16 1hdn s GLN 4 CO 0.02 -0.15 0.67 -2.00 -0.25 0.00 0.00 175.29 173.57 1hdn s GLU 5 N 1.29 3.08 -0.23 2.91 2.12 -1.26 -0.76 118.70 125.86 1hdn s GLU 5 Ca -0.02 -1.52 -0.10 0.00 0.36 0.00 0.00 54.97 53.69 1hdn s GLU 5 Cb -0.14 -4.31 -0.05 0.00 0.26 0.00 0.00 34.13 29.89 1hdn s GLU 5 CO -0.04 -1.48 0.14 0.08 -0.54 0.00 0.00 175.26 173.42 1hdn s VAL 6 N 2.23 5.26 -0.31 3.70 1.01 0.13 -4.91 120.40 127.50 1hdn s VAL 6 Ca 0.10 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1hdn s VAL 6 Cb -0.24 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1hdn s VAL 6 CO 0.04 0.37 0.91 -0.89 0.00 0.00 0.00 175.10 175.53 1hdn s THR 7 N 0.89 4.68 -0.13 3.92 2.01 -1.26 -0.45 115.64 125.30 1hdn s THR 7 Ca 0.07 1.41 -0.25 0.00 0.31 0.00 0.00 61.69 63.23 1hdn s THR 7 Cb -0.13 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 1hdn s THR 7 CO 0.03 -0.34 0.80 -0.63 -0.69 0.00 0.00 174.62 173.79 1hdn s ILE 8 N 3.24 4.93 -0.03 1.82 -1.09 0.77 -4.95 121.20 125.88 1hdn s ILE 8 Ca 0.38 1.60 0.01 0.00 -2.23 0.00 0.00 60.65 60.41 1hdn s ILE 8 Cb -0.13 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 1hdn s ILE 8 CO 0.14 0.10 -0.02 0.35 -1.23 0.00 0.00 174.94 174.28 1hdn n THR 9 N 4.42 0.21 -1.41 2.92 -2.24 -1.26 -0.50 114.28 116.42 1hdn n THR 9 Ca 0.03 -0.10 -0.62 0.00 -2.27 0.00 0.00 64.05 61.09 1hdn n THR 9 Cb 0.50 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 67.88 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 -2.43 -0.21 -0.15 6.98 0.00 -1.26 -4.36 120.51 119.08 1hdn n ALA 10 Ca -0.06 0.27 0.19 0.00 0.00 0.00 0.00 53.44 53.84 1hdn n ALA 10 Cb 0.58 -2.05 0.57 0.00 0.00 0.00 0.00 19.45 18.54 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 7.95 0.27 0.00 0.00 0.11 -1.98 -0.80 132.00 137.55 1hdn h PRO 11 Ca -0.21 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 1hdn h PRO 11 Cb 1.40 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1hdn h PRO 11 CO 1.05 0.18 -0.10 -2.95 -0.21 0.00 0.00 178.00 175.97 1hdn h ASN 12 N 0.28 0.00 -3.92 -2.05 7.08 -1.95 -3.44 115.58 111.58 1hdn h ASN 12 Ca 0.37 0.00 0.08 0.00 -3.08 0.00 0.00 56.30 53.67 1hdn h ASN 12 Cb 1.04 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.24 1hdn h ASN 12 CO -0.09 0.10 -0.26 0.61 -2.08 0.00 0.00 177.43 175.71 1hdn n GLY 13 N -1.03 -2.65 3.41 9.14 0.00 -0.31 -4.68 105.19 109.08 1hdn n GLY 13 Ca -0.02 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.58 5.30 0.00 0.99 4.77 -0.44 -4.93 117.00 120.11 1hdn n LEU 14 Ca -0.02 -3.95 0.00 0.00 -0.03 0.00 0.00 56.01 52.01 1hdn n LEU 14 Cb 0.15 -1.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.51 1hdn n LEU 14 CO 0.01 0.32 0.00 0.00 -1.33 0.00 0.00 177.39 176.39 1hdn n HIS 15 N 8.00 -0.13 0.13 -1.77 1.44 -1.26 -4.46 115.22 117.18 1hdn n HIS 15 Ca 0.50 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 56.04 1hdn n HIS 15 Cb 0.45 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.46 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 -0.13 0.03 -0.30 0.61 1.35 -1.99 -1.96 112.91 110.52 1hdn h THR 16 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 1hdn h THR 16 Cb 0.00 0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 66.40 1hdn h THR 16 CO 0.00 0.00 0.00 -0.09 -0.25 0.00 0.00 175.52 175.18 1hdn h ARG 17 N -0.77 0.09 0.10 4.72 2.43 -1.97 0.14 114.38 119.12 1hdn h ARG 17 Ca -0.01 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1hdn h ARG 17 Cb 0.76 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1hdn h ARG 17 CO -0.26 0.06 -0.12 -1.35 -1.51 0.00 0.00 179.97 176.79 1hdn h PRO 18 N 0.09 -0.25 -0.89 0.20 0.11 -1.85 -2.15 132.00 127.26 1hdn h PRO 18 Ca 0.14 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.29 1hdn h PRO 18 Cb 0.19 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.31 1hdn h PRO 18 CO -0.24 -0.16 0.59 0.00 -0.21 0.00 0.00 178.00 177.97 1hdn h ALA 19 N 0.62 1.14 -0.22 -0.75 0.00 -0.93 0.23 119.26 119.35 1hdn h ALA 19 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1hdn h ALA 19 Cb 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1hdn h ALA 19 CO -0.05 0.50 0.13 0.00 0.00 0.00 0.00 179.25 179.83 1hdn h ALA 20 N 1.34 0.28 -0.32 0.00 0.00 -0.66 -0.78 119.26 119.12 1hdn h ALA 20 Ca 0.34 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1hdn h ALA 20 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1hdn h ALA 20 CO -0.09 -0.22 -0.31 1.96 0.00 0.00 0.00 179.25 180.59 1hdn h GLN 21 N 0.27 0.68 -0.10 0.00 4.20 -0.84 -2.61 115.11 116.72 1hdn h GLN 21 Ca 0.08 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1hdn h GLN 21 Cb 0.01 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1hdn h GLN 21 CO -0.02 0.90 0.03 0.35 -0.67 0.00 0.00 178.83 179.42 1hdn h PHE 22 N 0.58 0.16 -0.18 2.96 3.57 -0.77 -1.50 116.94 121.76 1hdn h PHE 22 Ca 0.07 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1hdn h PHE 22 Cb 0.81 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1hdn h PHE 22 CO 0.04 0.32 0.10 -0.24 -2.23 0.00 0.00 178.31 176.30 1hdn h VAL 23 N -0.05 1.11 -0.71 1.41 3.04 -1.13 0.13 116.25 120.06 1hdn h VAL 23 Ca 0.03 -0.29 0.13 0.00 -1.01 0.00 0.00 66.70 65.56 1hdn h VAL 23 Cb 0.24 0.98 -0.09 0.00 -2.01 0.00 0.00 31.29 30.40 1hdn h VAL 23 CO -0.00 0.10 0.26 0.50 -1.01 0.00 0.00 177.57 177.42 1hdn h LYS 24 N 0.18 0.39 -0.01 4.17 3.11 -1.33 0.15 116.57 123.24 1hdn h LYS 24 Ca 0.06 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.79 1hdn h LYS 24 Cb 0.08 -0.09 0.01 0.00 -1.00 0.00 0.00 32.23 31.23 1hdn h LYS 24 CO -0.01 0.26 -0.35 1.49 -2.81 0.00 0.00 179.45 178.03 1hdn h GLU 25 N 0.41 0.25 -1.00 1.90 4.57 -0.90 -3.15 114.58 116.65 1hdn h GLU 25 Ca 0.38 -0.26 0.15 0.00 -1.18 0.00 0.00 59.36 58.46 1hdn h GLU 25 Cb 0.56 0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 29.13 1hdn h GLU 25 CO -0.39 0.97 0.62 0.00 -1.18 0.00 0.00 179.01 179.03 1hdn h ALA 26 N 0.29 1.60 -0.59 2.92 0.00 -0.61 -1.17 119.26 121.70 1hdn h ALA 26 Ca -0.04 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1hdn h ALA 26 Cb 1.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1hdn h ALA 26 CO 0.07 0.09 0.19 0.87 0.00 0.00 0.00 179.25 180.47 1hdn h LYS 27 N 0.88 0.88 -0.36 0.00 1.57 -1.01 -3.07 116.57 115.46 1hdn h LYS 27 Ca 0.53 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 59.18 1hdn h LYS 27 Cb 0.69 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1hdn h LYS 27 CO -0.32 0.75 0.24 0.78 -0.57 0.00 0.00 179.45 180.34 1hdn h GLY 28 N 0.99 0.45 -5.84 3.86 0.00 -1.16 -3.43 103.07 97.93 1hdn h GLY 28 Ca 0.20 -0.16 -0.59 0.00 0.00 0.00 0.00 47.33 46.77 1hdn h GLY 28 CO -0.01 0.14 0.31 -1.36 0.00 0.00 0.00 176.54 175.63 1hdn s PHE 29 N -5.38 3.35 0.27 5.60 0.08 -1.16 -4.95 117.98 115.79 1hdn s PHE 29 Ca -0.07 1.06 -0.03 0.00 0.12 0.00 0.00 56.93 58.01 1hdn s PHE 29 Cb 0.18 -2.94 0.38 0.00 -0.57 0.00 0.00 43.02 40.06 1hdn s PHE 29 CO 0.72 -0.29 1.90 1.79 -0.10 0.00 0.00 175.22 179.24 1hdn h THR 30 N 5.31 1.14 -2.39 0.64 1.35 -1.86 -3.43 112.91 113.67 1hdn h THR 30 Ca -0.27 -0.42 -0.61 0.00 -0.55 0.00 0.00 66.41 64.56 1hdn h THR 30 Cb 1.12 -0.18 0.14 0.00 -1.73 0.00 0.00 68.15 67.49 1hdn h THR 30 CO 0.82 0.22 -0.25 -1.20 -0.25 0.00 0.00 175.52 174.87 1hdn n SER 31 N -4.46 -0.27 -4.63 5.36 7.64 -1.26 -4.91 113.62 111.09 1hdn n SER 31 Ca 0.14 0.98 -0.39 0.00 1.01 0.00 0.00 58.87 60.61 1hdn n SER 31 Cb 0.13 -1.17 -0.08 0.00 -1.01 0.00 0.00 64.21 62.08 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 -1.62 4.09 -0.39 1.43 2.56 -0.65 -4.96 118.70 119.16 1hdn s GLU 32 Ca 0.63 0.15 -0.07 0.00 0.00 0.00 0.00 54.97 55.67 1hdn s GLU 32 Cb -0.63 -3.61 0.07 0.00 2.00 0.00 0.00 34.13 31.96 1hdn s GLU 32 CO 0.58 -0.20 0.19 0.42 -0.56 0.00 0.00 175.26 175.70 1hdn s ILE 33 N 1.81 3.93 -0.24 -3.70 -1.09 -1.26 -3.57 121.20 117.08 1hdn s ILE 33 Ca 0.17 -1.38 -0.09 0.00 -2.23 0.00 0.00 60.65 57.13 1hdn s ILE 33 Cb -0.15 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1hdn s ILE 33 CO 0.09 -0.40 0.11 -0.89 -1.23 0.00 0.00 174.94 172.62 1hdn s THR 34 N 1.38 4.81 -0.47 2.92 2.01 0.81 -1.10 115.64 126.00 1hdn s THR 34 Ca 0.02 -0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 1hdn s THR 34 Cb -0.22 -3.25 0.09 0.00 0.01 0.00 0.00 72.50 69.14 1hdn s THR 34 CO 0.02 0.34 0.39 -0.69 -0.69 0.00 0.00 174.62 173.98 1hdn s VAL 35 N 1.32 4.98 -0.56 3.82 1.01 0.11 -0.58 120.40 130.50 1hdn s VAL 35 Ca 0.06 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 1hdn s VAL 35 Cb -0.15 -4.04 0.14 0.00 0.00 0.00 0.00 36.38 32.33 1hdn s VAL 35 CO 0.05 -0.63 0.46 -0.89 0.00 0.00 0.00 175.10 174.09 1hdn s THR 36 N 1.58 4.66 -0.87 3.92 2.01 -0.14 -1.37 115.64 125.42 1hdn s THR 36 Ca 0.04 -1.90 -0.20 0.00 0.31 0.00 0.00 61.69 59.94 1hdn s THR 36 Cb -0.25 -4.01 0.11 0.00 0.01 0.00 0.00 72.50 68.36 1hdn s THR 36 CO 0.05 -0.85 1.12 -0.55 -0.69 0.00 0.00 174.62 173.69 1hdn s SER 37 N 2.71 6.51 -1.15 3.53 0.15 0.19 -1.32 113.70 124.31 1hdn s SER 37 Ca 0.08 -1.74 -0.27 0.00 0.70 0.00 0.00 55.95 54.72 1hdn s SER 37 Cb -0.24 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.67 1hdn s SER 37 CO -0.01 -1.19 0.72 -0.46 1.20 0.00 0.00 173.24 173.49 1hdn n ASN 38 N 7.03 -4.70 0.00 5.45 0.23 -1.22 -0.61 115.26 121.44 1hdn n ASN 38 Ca 0.18 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 1hdn n ASN 38 Cb 0.48 -2.33 0.00 0.00 -2.08 0.00 0.00 39.78 35.86 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 -1.91 2.44 3.61 4.83 0.00 -1.26 -5.05 105.19 107.85 1hdn n GLY 39 Ca -0.12 -0.65 -0.43 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 3.46 -0.27 1.61 1.02 0.22 -4.95 119.74 120.83 1hdn s LYS 40 Ca 0.00 1.47 -0.07 0.00 0.02 0.00 0.00 55.97 57.38 1hdn s LYS 40 Cb 0.00 -4.15 -0.01 0.00 -0.52 0.00 0.00 37.83 33.14 1hdn s LYS 40 CO 0.00 -1.71 0.08 -1.54 -0.92 0.00 0.00 175.35 171.26 1hdn s SER 41 N 5.55 5.17 0.02 2.83 1.04 -1.26 -0.64 113.70 126.42 1hdn s SER 41 Ca 0.77 -0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.87 1hdn s SER 41 Cb -0.23 -1.92 -0.03 0.00 0.10 0.00 0.00 66.02 63.95 1hdn s SER 41 CO 0.33 -0.11 -0.22 0.00 0.98 0.00 0.00 173.24 174.23 1hdn s ALA 42 N 1.58 2.43 0.16 5.32 0.00 -0.47 -4.96 121.76 125.81 1hdn s ALA 42 Ca 0.05 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 1hdn s ALA 42 Cb -0.16 -0.65 -0.07 0.00 0.00 0.00 0.00 23.12 22.24 1hdn s ALA 42 CO 0.03 0.55 1.17 0.45 0.00 0.00 0.00 175.76 177.96 1hdn s SER 43 N -1.18 7.14 0.43 0.00 0.15 -1.26 0.04 113.70 119.02 1hdn s SER 43 Ca 0.13 2.14 0.18 0.00 0.70 0.00 0.00 55.95 59.09 1hdn s SER 43 Cb -0.10 -2.60 0.97 0.00 -1.71 0.00 0.00 66.02 62.58 1hdn s SER 43 CO 0.03 -0.34 1.91 0.00 1.20 0.00 0.00 173.24 176.04 1hdn h ALA 44 N 5.53 1.36 0.00 5.45 0.00 -1.49 -3.07 119.26 127.05 1hdn h ALA 44 Ca -0.44 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1hdn h ALA 44 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1hdn h ALA 44 CO 0.75 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.97 1hdn n LYS 45 N -3.94 0.38 -3.91 0.00 5.02 -1.26 -4.28 118.16 110.17 1hdn n LYS 45 Ca -0.02 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1hdn n LYS 45 Cb 0.34 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.05 3.49 0.26 4.39 0.15 -1.16 -4.86 113.70 113.91 1hdn s SER 46 Ca 0.19 -1.00 -0.05 0.00 0.70 0.00 0.00 55.95 55.79 1hdn s SER 46 Cb 0.09 -1.07 0.31 0.00 -1.71 0.00 0.00 66.02 63.64 1hdn s SER 46 CO 0.15 -0.22 1.91 0.25 1.20 0.00 0.00 173.24 176.53 1hdn h LEU 47 N 8.02 1.12 -0.21 3.45 5.85 -1.87 -0.43 115.31 131.25 1hdn h LEU 47 Ca -0.20 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1hdn h LEU 47 Cb 1.09 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1hdn h LEU 47 CO 0.41 0.78 -0.06 0.15 -0.34 0.00 0.00 178.44 179.38 1hdn h PHE 48 N 1.31 -0.14 -0.32 1.25 3.57 -1.95 0.15 116.94 120.81 1hdn h PHE 48 Ca 0.39 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.87 1hdn h PHE 48 Cb -0.05 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1hdn h PHE 48 CO -0.00 -0.10 0.05 0.87 -2.23 0.00 0.00 178.31 176.90 1hdn h LYS 49 N -0.02 0.53 -0.21 1.11 1.57 -1.57 -1.99 116.57 115.99 1hdn h LYS 49 Ca 0.10 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1hdn h LYS 49 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1hdn h LYS 49 CO -0.23 0.62 0.07 1.25 -0.57 0.00 0.00 179.45 180.60 1hdn h LEU 50 N 0.36 0.30 -0.51 2.94 5.85 -0.77 -3.08 115.31 120.40 1hdn h LEU 50 Ca 0.10 -0.19 -0.16 0.00 0.84 0.00 0.00 57.88 58.47 1hdn h LEU 50 Cb 0.35 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1hdn h LEU 50 CO 0.01 0.42 -0.49 1.56 -0.34 0.00 0.00 178.44 179.60 1hdn h GLN 51 N 0.17 0.66 0.00 1.25 4.20 -0.65 -2.96 115.11 117.79 1hdn h GLN 51 Ca 0.07 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1hdn h GLN 51 Cb 0.22 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1hdn h GLN 51 CO -0.00 1.00 0.00 -2.37 -0.67 0.00 0.00 178.83 176.79 1hdn n THR 52 N -4.00 0.60 -3.25 -0.54 5.66 -0.76 -4.80 114.28 107.20 1hdn n THR 52 Ca -0.03 0.09 -0.36 0.00 -3.05 0.00 0.00 64.05 60.69 1hdn n THR 52 Cb 0.58 -0.81 -0.06 0.00 -1.55 0.00 0.00 70.33 68.49 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 -3.52 4.38 -0.90 1.09 2.96 -1.12 -4.99 118.68 116.59 1hdn s LEU 53 Ca 0.09 1.24 -0.25 0.00 -0.22 0.00 0.00 54.13 54.99 1hdn s LEU 53 Cb 0.13 -3.31 -0.09 0.00 0.50 0.00 0.00 46.19 43.42 1hdn s LEU 53 CO 0.42 0.11 2.10 -0.83 -1.32 0.00 0.00 176.35 176.83 1hdn s GLY 54 N -1.58 -0.20 -0.64 7.98 0.00 -1.26 -4.84 107.32 106.79 1hdn s GLY 54 Ca 0.38 -1.34 0.06 0.00 0.00 0.00 0.00 44.72 43.82 1hdn s GLY 54 CO 0.20 3.76 0.62 1.04 0.00 0.00 0.00 173.10 178.72 1hdn n LEU 55 N 15.75 3.04 -4.31 0.66 4.77 -1.26 -4.85 117.00 130.80 1hdn n LEU 55 Ca 0.43 -5.26 -0.18 0.00 -0.03 0.00 0.00 56.01 50.97 1hdn n LEU 55 Cb 0.46 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 1hdn n LEU 55 CO 0.59 1.94 -0.18 0.28 -1.33 0.00 0.00 177.39 178.68 1hdn s THR 56 N -1.89 0.21 0.54 -5.08 -1.32 -1.26 -1.32 115.64 105.51 1hdn s THR 56 Ca 0.34 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.64 1hdn s THR 56 Cb 0.07 -2.50 -0.11 0.00 -1.51 0.00 0.00 72.50 68.45 1hdn s THR 56 CO -0.09 0.00 0.27 0.00 -2.21 0.00 0.00 174.62 172.60 1hdn n GLN 57 N -0.55 0.31 -3.04 7.08 10.64 -1.24 -3.37 117.38 127.20 1hdn n GLN 57 Ca 0.02 0.12 -0.21 0.00 -1.83 0.00 0.00 57.00 55.10 1hdn n GLN 57 Cb 0.64 -1.43 0.01 0.00 -0.86 0.00 0.00 30.24 28.61 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 2.06 -0.50 3.30 2.61 0.00 0.35 -4.90 105.19 108.10 1hdn n GLY 58 Ca 0.10 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.00 1.97 -0.26 2.61 2.01 -1.05 -4.98 115.64 112.95 1hdn s THR 59 Ca 0.28 -1.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 1hdn s THR 59 Cb -0.14 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.72 1hdn s THR 59 CO 0.35 0.49 0.01 0.54 -0.69 0.00 0.00 174.62 175.31 1hdn s VAL 60 N -0.64 3.50 -0.09 3.82 0.11 -1.26 -0.16 120.40 125.68 1hdn s VAL 60 Ca 0.10 -0.73 0.03 0.00 -2.93 0.00 0.00 61.98 58.46 1hdn s VAL 60 Cb -0.10 -2.74 0.01 0.00 -1.53 0.00 0.00 36.38 32.02 1hdn s VAL 60 CO -0.00 0.21 -0.19 0.54 -3.33 0.00 0.00 175.10 172.33 1hdn s VAL 61 N 1.45 1.68 -0.24 2.04 0.11 0.41 -3.40 120.40 122.45 1hdn s VAL 61 Ca 0.03 -0.80 -0.09 0.00 -2.93 0.00 0.00 61.98 58.19 1hdn s VAL 61 Cb -0.16 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 1hdn s VAL 61 CO -0.01 0.48 0.11 -0.89 -3.33 0.00 0.00 175.10 171.46 1hdn s THR 62 N 0.51 4.83 -0.74 5.04 2.01 -0.44 -0.69 115.64 126.17 1hdn s THR 62 Ca -0.16 -0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 1hdn s THR 62 Cb -0.17 -3.25 0.16 0.00 0.01 0.00 0.00 72.50 69.25 1hdn s THR 62 CO 0.06 0.35 0.76 -0.63 -0.69 0.00 0.00 174.62 174.47 1hdn s ILE 63 N 1.27 5.23 -0.04 1.82 -1.09 0.06 -0.96 121.20 127.49 1hdn s ILE 63 Ca 0.06 -1.83 -0.21 0.00 -2.23 0.00 0.00 60.65 56.44 1hdn s ILE 63 Cb -0.14 -4.50 -0.05 0.00 -1.58 0.00 0.00 42.46 36.19 1hdn s ILE 63 CO 0.05 -1.10 0.61 -0.55 -1.23 0.00 0.00 174.94 172.72 1hdn s SER 64 N 2.98 6.93 -0.09 3.58 0.15 0.25 -1.98 113.70 125.52 1hdn s SER 64 Ca 0.16 1.11 -0.08 0.00 0.70 0.00 0.00 55.95 57.84 1hdn s SER 64 Cb -0.16 -2.37 0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1hdn s SER 64 CO -0.04 0.01 0.24 0.00 1.20 0.00 0.00 173.24 174.66 1hdn s ALA 65 N 0.27 -0.59 0.05 5.45 0.00 0.74 -0.13 121.76 127.53 1hdn s ALA 65 Ca 0.32 0.73 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1hdn s ALA 65 Cb -0.18 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1hdn s ALA 65 CO 0.16 -0.13 -0.10 -1.83 0.00 0.00 0.00 175.76 173.87 1hdn s GLU 66 N 0.29 0.64 0.00 0.00 -1.05 -1.23 -0.11 118.70 117.23 1hdn s GLU 66 Ca -0.01 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 1hdn s GLU 66 Cb -0.03 -0.50 0.00 0.00 -0.44 0.00 0.00 34.13 33.16 1hdn s GLU 66 CO -0.01 0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.71 1hdn n GLY 67 N 1.46 0.85 0.00 -3.83 0.00 -1.26 -1.63 105.19 100.78 1hdn n GLY 67 Ca -0.22 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1hdn n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1hdn n GLU 68 N 0.00 0.00 -1.78 1.61 2.13 -1.26 -2.71 120.64 118.62 1hdn n GLU 68 Ca 0.00 0.47 -0.39 0.00 0.66 0.00 0.00 57.16 57.91 1hdn n GLU 68 Cb 0.00 -1.24 -0.04 0.00 0.27 0.00 0.00 31.44 30.43 1hdn n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1hdn n ASP 69 N -1.57 3.36 0.14 4.31 9.92 -1.26 -4.80 116.55 126.65 1hdn n ASP 69 Ca 0.00 -2.76 -0.06 0.00 -0.53 0.00 0.00 54.79 51.44 1hdn n ASP 69 Cb 0.00 -1.51 -0.03 0.00 -0.64 0.00 0.00 41.12 38.94 1hdn n ASP 69 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1hdn h GLU 70 N 8.03 -0.37 0.00 -1.24 4.11 -1.88 -3.35 114.58 119.88 1hdn h GLU 70 Ca 0.39 0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.84 1hdn h GLU 70 Cb 0.78 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1hdn h GLU 70 CO 1.64 -0.25 -0.07 1.96 0.07 0.00 0.00 179.01 182.36 1hdn h GLN 71 N -0.63 0.00 -0.85 1.06 4.20 -1.89 -3.31 115.11 113.69 1hdn h GLN 71 Ca -0.04 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.81 1hdn h GLN 71 Cb 0.30 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.93 1hdn h GLN 71 CO 0.07 0.46 -0.33 -0.22 -0.67 0.00 0.00 178.83 178.13 1hdn h LYS 72 N -1.00 -0.05 -0.82 1.46 3.64 -1.97 -2.09 116.57 115.74 1hdn h LYS 72 Ca -0.01 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1hdn h LYS 72 Cb 0.49 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1hdn h LYS 72 CO -0.01 -0.03 0.54 0.00 -2.27 0.00 0.00 179.45 177.68 1hdn h ALA 73 N 1.37 1.47 0.70 5.00 0.00 -1.70 0.33 119.26 126.43 1hdn h ALA 73 Ca 0.33 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1hdn h ALA 73 Cb 0.59 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1hdn h ALA 73 CO -0.88 0.47 -0.33 0.28 0.00 0.00 0.00 179.25 178.78 1hdn h VAL 74 N 1.05 0.00 -0.76 0.00 2.07 -1.47 -2.05 116.25 115.09 1hdn h VAL 74 Ca 0.32 -0.28 0.17 0.00 0.82 0.00 0.00 66.70 67.73 1hdn h VAL 74 Cb -0.03 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.61 1hdn h VAL 74 CO -0.08 0.00 0.01 -0.08 0.02 0.00 0.00 177.57 177.44 1hdn h GLU 75 N -1.21 0.10 0.11 1.57 4.81 -1.20 0.18 114.58 118.94 1hdn h GLU 75 Ca -0.10 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1hdn h GLU 75 Cb 0.72 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1hdn h GLU 75 CO 0.16 0.07 -0.05 1.25 -0.73 0.00 0.00 179.01 179.70 1hdn h HIS 76 N 0.11 -0.14 0.00 0.92 2.76 -0.38 -1.38 115.15 117.03 1hdn h HIS 76 Ca 0.42 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.51 1hdn h HIS 76 Cb 0.74 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 1hdn h HIS 76 CO -0.42 -0.03 -0.36 -0.07 -1.30 0.00 0.00 177.93 175.75 1hdn h LEU 77 N -0.21 0.00 -1.22 0.26 3.38 -0.82 -2.62 115.31 114.08 1hdn h LEU 77 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1hdn h LEU 77 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1hdn h LEU 77 CO 0.02 0.36 0.01 0.58 0.09 0.00 0.00 178.44 179.51 1hdn h VAL 78 N 0.00 1.20 -0.68 1.22 2.07 -0.34 -2.37 116.25 117.35 1hdn h VAL 78 Ca -0.00 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1hdn h VAL 78 Cb 0.73 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1hdn h VAL 78 CO 0.05 0.27 0.34 0.11 0.02 0.00 0.00 177.57 178.35 1hdn h LYS 79 N 0.53 0.97 -0.65 1.57 1.57 -0.89 -2.89 116.57 116.78 1hdn h LYS 79 Ca 0.11 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1hdn h LYS 79 Cb 0.32 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 1hdn h LYS 79 CO 0.01 0.76 0.38 -0.07 -0.57 0.00 0.00 179.45 179.95 1hdn h LEU 80 N 0.94 0.58 -2.35 2.94 4.07 -1.24 -0.98 115.31 119.27 1hdn h LEU 80 Ca 0.24 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1hdn h LEU 80 Cb 0.10 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1hdn h LEU 80 CO -0.03 0.39 0.00 0.24 -1.08 0.00 0.00 178.44 177.96 1hdn h MET 81 N 0.71 0.00 0.02 1.13 2.86 -1.24 -3.06 114.93 115.35 1hdn h MET 81 Ca 0.28 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.52 1hdn h MET 81 Cb 0.12 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 1hdn h MET 81 CO -0.15 0.00 -2.33 0.00 1.06 0.00 0.00 176.91 175.50 1hdn n ALA 82 N -2.02 1.24 0.00 6.32 0.00 -0.46 -4.74 120.51 120.85 1hdn n ALA 82 Ca -0.02 -0.97 -0.17 0.00 0.00 0.00 0.00 53.44 52.28 1hdn n ALA 82 Cb 0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 1hdn n ALA 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1hdn h GLU 83 N -0.31 0.73 -6.35 0.00 5.08 -1.25 -3.47 114.58 109.02 1hdn h GLU 83 Ca -0.57 -0.64 -0.54 0.00 -1.00 0.00 0.00 59.36 56.61 1hdn h GLU 83 Cb 1.81 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 31.17 1hdn h GLU 83 CO -0.15 1.24 0.24 -0.51 -1.00 0.00 0.00 179.01 178.83 1hdn s LEU 84 N -8.29 4.42 0.00 1.33 1.43 -1.17 -5.12 118.68 111.29 1hdn s LEU 84 Ca -0.10 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1hdn s LEU 84 Cb 0.08 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.94 1hdn s LEU 84 CO 0.90 -0.08 0.32 -0.62 0.23 0.00 0.00 176.35 177.10