#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 -0.04 0.11 1.12 5.36 -1.06 -5.02 117.98 118.45 1hdn s PHE 2 Ca 0.00 0.10 0.04 0.00 -0.96 0.00 0.00 56.93 56.11 1hdn s PHE 2 Cb 0.00 0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.66 1hdn s PHE 2 CO 0.00 -0.02 -0.11 1.14 -1.46 0.00 0.00 175.22 174.77 1hdn s GLN 3 N 0.01 0.90 -0.05 10.12 -2.07 -1.26 -0.84 119.66 126.48 1hdn s GLN 3 Ca -0.00 -1.21 -0.02 0.00 -1.82 0.00 0.00 55.36 52.31 1hdn s GLN 3 Cb -0.00 -0.60 0.04 0.00 -1.09 0.00 0.00 33.01 31.35 1hdn s GLN 3 CO 0.00 0.09 0.10 -1.14 -1.32 0.00 0.00 175.29 173.02 1hdn s GLN 4 N -2.90 0.00 -0.57 9.60 2.00 0.17 -4.98 119.66 122.99 1hdn s GLN 4 Ca 0.07 0.36 -0.27 0.00 -2.00 0.00 0.00 55.36 53.52 1hdn s GLN 4 Cb -0.02 -0.30 0.03 0.00 0.80 0.00 0.00 33.01 33.52 1hdn s GLN 4 CO 0.01 -0.24 1.13 -1.21 -0.50 0.00 0.00 175.29 174.48 1hdn s GLU 5 N 1.63 3.48 -0.01 1.67 2.02 -1.26 -1.16 118.70 125.06 1hdn s GLU 5 Ca -0.03 0.15 0.06 0.00 0.02 0.00 0.00 54.97 55.17 1hdn s GLU 5 Cb -0.12 -4.02 -0.02 0.00 0.10 0.00 0.00 34.13 30.07 1hdn s GLU 5 CO -0.04 -1.63 -0.20 0.54 0.02 0.00 0.00 175.26 173.94 1hdn s VAL 6 N 4.72 1.61 -0.21 2.63 0.11 -0.17 -4.95 120.40 124.14 1hdn s VAL 6 Ca 0.40 -0.88 -0.10 0.00 -2.93 0.00 0.00 61.98 58.47 1hdn s VAL 6 Cb -0.09 -1.34 -0.05 0.00 -1.53 0.00 0.00 36.38 33.38 1hdn s VAL 6 CO 0.24 0.45 0.14 0.42 -3.33 0.00 0.00 175.10 173.02 1hdn s THR 7 N -0.49 5.40 0.01 5.04 -4.23 -1.26 -0.51 115.64 119.60 1hdn s THR 7 Ca 0.08 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.48 1hdn s THR 7 Cb -0.08 -3.48 -0.07 0.00 1.34 0.00 0.00 72.50 70.21 1hdn s THR 7 CO -0.01 0.42 1.66 -0.63 -0.54 0.00 0.00 174.62 175.52 1hdn s ILE 8 N 0.50 3.34 0.10 2.99 1.01 -1.19 -4.85 121.20 123.10 1hdn s ILE 8 Ca 0.08 0.60 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 1hdn s ILE 8 Cb -0.12 -3.38 -0.23 0.00 0.01 0.00 0.00 42.46 38.74 1hdn s ILE 8 CO -0.01 -0.03 1.23 0.71 0.00 0.00 0.00 174.94 176.84 1hdn h THR 9 N 5.23 1.46 -2.60 2.92 1.35 -1.81 -1.32 112.91 118.13 1hdn h THR 9 Ca -0.41 -2.77 -0.53 0.00 -0.55 0.00 0.00 66.41 62.15 1hdn h THR 9 Cb 1.19 2.69 0.02 0.00 -1.73 0.00 0.00 68.15 70.32 1hdn h THR 9 CO 0.94 0.81 1.07 0.00 -0.25 0.00 0.00 175.52 178.09 1hdn s ALA 10 N -2.95 3.67 0.15 6.62 0.00 -1.24 -4.87 121.76 123.14 1hdn s ALA 10 Ca -0.05 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 1hdn s ALA 10 Cb 0.08 -3.74 0.06 0.00 0.00 0.00 0.00 23.12 19.52 1hdn s ALA 10 CO 0.87 -1.25 1.67 -1.35 0.00 0.00 0.00 175.76 175.71 1hdn h PRO 11 N 8.93 -0.04 -0.80 0.00 0.11 -1.91 -1.66 132.00 136.64 1hdn h PRO 11 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1hdn h PRO 11 Cb 1.21 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1hdn h PRO 11 CO 0.94 -0.03 0.38 -2.95 -0.21 0.00 0.00 178.00 176.13 1hdn h ASN 12 N -0.04 1.04 0.00 -2.05 7.08 -1.92 -3.34 115.58 116.35 1hdn h ASN 12 Ca 0.16 -0.12 0.00 0.00 -3.08 0.00 0.00 56.30 53.26 1hdn h ASN 12 Cb 0.29 -0.27 0.00 0.00 -2.08 0.00 0.00 38.32 36.26 1hdn h ASN 12 CO -0.36 0.88 0.00 0.61 -2.08 0.00 0.00 177.43 176.48 1hdn n GLY 13 N -1.04 0.91 2.78 9.14 0.00 -0.63 -4.52 105.19 111.84 1hdn n GLY 13 Ca 0.08 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 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 3.98 0.00 0.99 4.32 0.13 -4.81 117.00 121.61 1hdn n LEU 14 Ca 0.00 -5.29 0.00 0.00 -0.02 0.00 0.00 56.01 50.70 1hdn n LEU 14 Cb 0.00 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 40.94 1hdn n LEU 14 CO 0.00 1.82 0.00 0.00 -1.22 0.00 0.00 177.39 177.99 1hdn n HIS 15 N 1.54 -0.07 0.38 -1.77 1.44 -1.26 -4.38 115.22 111.10 1hdn n HIS 15 Ca 0.25 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.78 1hdn n HIS 15 Cb 0.38 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.40 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 -0.07 0.00 -0.37 0.61 1.35 -1.97 -1.31 112.91 111.15 1hdn h THR 16 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.72 1hdn h THR 16 Cb 0.00 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.41 1hdn h THR 16 CO 0.00 0.00 -0.32 0.08 -0.25 0.00 0.00 175.52 175.03 1hdn h ARG 17 N -1.08 0.82 -0.01 4.72 0.11 -1.98 -0.26 114.38 116.70 1hdn h ARG 17 Ca -0.09 -0.39 -0.24 0.00 0.10 0.00 0.00 59.98 59.36 1hdn h ARG 17 Cb 0.87 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.95 1hdn h ARG 17 CO 0.09 1.02 -0.96 -1.00 0.10 0.00 0.00 179.97 179.22 1hdn h PRO 18 N 0.69 0.51 -0.56 0.08 0.13 -1.91 -2.33 132.00 128.62 1hdn h PRO 18 Ca 0.07 -0.54 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1hdn h PRO 18 Cb 0.87 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 1hdn h PRO 18 CO 0.08 1.17 0.26 0.00 -0.23 0.00 0.00 178.00 179.27 1hdn h ALA 19 N 0.64 0.72 -0.71 -0.56 0.00 -1.28 -0.71 119.26 117.37 1hdn h ALA 19 Ca -0.09 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1hdn h ALA 19 Cb 1.60 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 1hdn h ALA 19 CO 0.17 0.29 0.35 0.00 0.00 0.00 0.00 179.25 180.07 1hdn h ALA 20 N 1.09 0.97 -0.23 0.00 0.00 -1.05 0.12 119.26 120.17 1hdn h ALA 20 Ca 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1hdn h ALA 20 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1hdn h ALA 20 CO -0.02 -0.04 0.09 0.37 0.00 0.00 0.00 179.25 179.65 1hdn h GLN 21 N 0.60 0.34 -0.22 0.00 4.15 -1.17 -2.57 115.11 116.25 1hdn h GLN 21 Ca 0.34 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 1hdn h GLN 21 Cb 0.35 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1hdn h GLN 21 CO -0.26 0.39 0.13 0.35 -1.93 0.00 0.00 178.83 177.51 1hdn h PHE 22 N 0.22 0.28 -0.47 3.99 3.04 -0.40 -2.73 116.94 120.88 1hdn h PHE 22 Ca 0.08 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.12 1hdn h PHE 22 Cb 0.17 -0.09 -0.08 0.00 2.56 0.00 0.00 35.95 38.51 1hdn h PHE 22 CO -0.01 0.22 -0.03 0.28 -2.02 0.00 0.00 178.31 176.75 1hdn h VAL 23 N 0.27 0.61 -0.34 1.41 2.07 -0.77 0.83 116.25 120.33 1hdn h VAL 23 Ca 0.08 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1hdn h VAL 23 Cb 0.01 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 1hdn h VAL 23 CO -0.02 0.02 -0.01 0.50 0.02 0.00 0.00 177.57 178.08 1hdn h LYS 24 N 0.09 0.08 -0.03 1.57 3.11 -1.17 0.18 116.57 120.41 1hdn h LYS 24 Ca 0.24 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.07 1hdn h LYS 24 Cb 0.35 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.56 1hdn h LYS 24 CO -0.41 0.05 0.00 1.49 -2.81 0.00 0.00 179.45 177.77 1hdn h GLU 25 N 0.08 0.04 -0.84 1.90 4.57 -1.15 -3.02 114.58 116.17 1hdn h GLU 25 Ca 0.16 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.40 1hdn h GLU 25 Cb 0.23 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.75 1hdn h GLU 25 CO -0.28 0.33 0.50 0.00 -1.18 0.00 0.00 179.01 178.38 1hdn h ALA 26 N 0.71 1.17 -0.30 2.92 0.00 -0.69 -0.73 119.26 122.34 1hdn h ALA 26 Ca 0.01 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1hdn h ALA 26 Cb 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1hdn h ALA 26 CO 0.00 0.20 0.21 -0.22 0.00 0.00 0.00 179.25 179.43 1hdn h LYS 27 N 0.89 0.21 -0.06 0.00 1.63 -0.52 -2.60 116.57 116.12 1hdn h LYS 27 Ca 0.38 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 1hdn h LYS 27 Cb 0.25 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1hdn h LYS 27 CO -0.20 0.14 0.00 0.41 -3.45 0.00 0.00 179.45 176.35 1hdn n GLY 28 N -1.54 -0.61 3.75 5.01 0.00 -0.28 -4.75 105.19 106.77 1hdn n GLY 28 Ca 0.03 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.92 3.28 0.19 1.61 0.08 -0.98 -5.03 117.98 115.21 1hdn s PHE 29 Ca 0.24 0.26 -0.11 0.00 0.12 0.00 0.00 56.93 57.44 1hdn s PHE 29 Cb 0.12 -1.80 0.19 0.00 -0.57 0.00 0.00 43.02 40.96 1hdn s PHE 29 CO 0.19 0.55 1.79 1.79 -0.10 0.00 0.00 175.22 179.43 1hdn h THR 30 N 3.82 0.93 -2.62 0.64 1.35 -1.88 -3.44 112.91 111.71 1hdn h THR 30 Ca -0.51 -0.19 -0.60 0.00 -0.55 0.00 0.00 66.41 64.57 1hdn h THR 30 Cb 1.20 0.34 0.09 0.00 -1.73 0.00 0.00 68.15 68.05 1hdn h THR 30 CO 0.57 0.10 0.44 -1.20 -0.25 0.00 0.00 175.52 175.19 1hdn n SER 31 N -4.87 2.23 -4.62 5.36 7.64 -1.26 -4.93 113.62 113.17 1hdn n SER 31 Ca 0.06 1.16 -0.43 0.00 1.01 0.00 0.00 58.87 60.68 1hdn n SER 31 Cb 0.17 -1.37 -0.02 0.00 -1.01 0.00 0.00 64.21 61.97 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 -0.88 3.72 -0.26 1.43 2.56 0.14 -4.84 118.70 120.58 1hdn s GLU 32 Ca 0.65 1.22 -0.09 0.00 0.00 0.00 0.00 54.97 56.76 1hdn s GLU 32 Cb -0.68 -3.99 -0.04 0.00 2.00 0.00 0.00 34.13 31.43 1hdn s GLU 32 CO 0.54 -1.37 0.11 0.42 -0.56 0.00 0.00 175.26 174.40 1hdn s ILE 33 N 5.11 4.66 -0.06 -3.70 1.01 -1.26 -1.11 121.20 125.84 1hdn s ILE 33 Ca 0.63 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.27 1hdn s ILE 33 Cb -0.17 -3.19 -0.00 0.00 0.01 0.00 0.00 42.46 39.10 1hdn s ILE 33 CO 0.29 0.31 -0.20 -0.89 0.00 0.00 0.00 174.94 174.45 1hdn s THR 34 N 1.62 1.71 -0.29 2.92 2.01 0.31 -0.80 115.64 123.11 1hdn s THR 34 Ca 0.06 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1hdn s THR 34 Cb -0.15 -1.47 0.06 0.00 0.01 0.00 0.00 72.50 70.95 1hdn s THR 34 CO 0.06 0.48 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 1hdn s VAL 35 N 0.14 2.48 -0.38 3.82 1.01 0.34 -1.00 120.40 126.81 1hdn s VAL 35 Ca -0.09 -1.68 -0.04 0.00 0.00 0.00 0.00 61.98 60.18 1hdn s VAL 35 Cb -0.14 -2.51 0.09 0.00 0.00 0.00 0.00 36.38 33.82 1hdn s VAL 35 CO 0.04 -0.16 0.16 -0.89 0.00 0.00 0.00 175.10 174.25 1hdn s THR 36 N 1.12 3.36 -0.93 3.92 2.01 -0.03 -0.99 115.64 124.09 1hdn s THR 36 Ca -0.04 -1.79 -0.18 0.00 0.31 0.00 0.00 61.69 59.99 1hdn s THR 36 Cb -0.20 -3.17 0.14 0.00 0.01 0.00 0.00 72.50 69.28 1hdn s THR 36 CO -0.04 -0.52 1.11 -0.94 -0.69 0.00 0.00 174.62 173.54 1hdn s SER 37 N 1.72 6.67 -1.01 3.53 1.04 0.66 -1.12 113.70 125.18 1hdn s SER 37 Ca 0.04 -2.16 -0.13 0.00 0.48 0.00 0.00 55.95 54.18 1hdn s SER 37 Cb -0.22 -2.38 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 1hdn s SER 37 CO -0.02 -0.99 0.76 0.59 0.98 0.00 0.00 173.24 174.55 1hdn n ASN 38 N 6.23 -5.80 0.00 7.02 4.13 -0.84 -2.05 115.26 123.95 1hdn n ASN 38 Ca 0.24 -0.82 0.00 0.00 1.68 0.00 0.00 54.58 55.67 1hdn n ASN 38 Cb 0.49 -3.59 0.00 0.00 -1.54 0.00 0.00 39.78 35.14 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 -1.66 2.86 3.65 7.41 0.00 -1.26 -5.01 105.19 111.18 1hdn n GLY 39 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.12 4.22 -0.07 1.61 3.01 -0.87 -5.06 119.74 122.45 1hdn s LYS 40 Ca 0.00 0.99 0.01 0.00 -1.01 0.00 0.00 55.97 55.96 1hdn s LYS 40 Cb 0.00 -3.62 -0.03 0.00 -1.01 0.00 0.00 37.83 33.17 1hdn s LYS 40 CO 0.00 -0.47 -0.08 -1.12 0.51 0.00 0.00 175.35 174.18 1hdn s SER 41 N 1.28 4.52 -0.05 2.83 0.01 -1.26 -0.25 113.70 120.78 1hdn s SER 41 Ca 0.36 -0.07 -0.10 0.00 1.31 0.00 0.00 55.95 57.46 1hdn s SER 41 Cb -0.16 -1.14 0.02 0.00 0.21 0.00 0.00 66.02 64.95 1hdn s SER 41 CO 0.09 0.35 0.23 0.00 0.41 0.00 0.00 173.24 174.32 1hdn s ALA 42 N -0.72 -0.58 -0.13 1.44 0.00 -0.16 -5.00 121.76 116.61 1hdn s ALA 42 Ca 0.11 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 1hdn s ALA 42 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1hdn s ALA 42 CO 0.01 -0.18 1.46 0.45 0.00 0.00 0.00 175.76 177.50 1hdn s SER 43 N -0.66 6.77 0.50 0.00 0.15 -1.26 -0.50 113.70 118.70 1hdn s SER 43 Ca -0.08 1.90 0.17 0.00 0.70 0.00 0.00 55.95 58.64 1hdn s SER 43 Cb -0.04 -2.54 1.23 0.00 -1.71 0.00 0.00 66.02 62.96 1hdn s SER 43 CO 0.02 -0.88 2.10 0.00 1.20 0.00 0.00 173.24 175.68 1hdn h ALA 44 N 9.01 2.06 0.00 5.45 0.00 -1.33 -2.54 119.26 131.92 1hdn h ALA 44 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1hdn h ALA 44 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1hdn h ALA 44 CO 0.97 -0.10 0.00 1.63 0.00 0.00 0.00 179.25 181.75 1hdn n LYS 45 N -4.50 0.72 -4.34 0.00 5.02 -1.25 -4.27 118.16 109.55 1hdn n LYS 45 Ca 0.01 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.11 1hdn n LYS 45 Cb 0.20 -1.18 -0.15 0.00 -0.02 0.00 0.00 35.03 33.88 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 -0.77 1.02 0.00 4.39 0.15 -0.96 -4.83 113.70 112.70 1hdn s SER 46 Ca 0.00 -0.16 -0.19 0.00 0.70 0.00 0.00 55.95 56.30 1hdn s SER 46 Cb 0.00 -0.16 -0.11 0.00 -1.71 0.00 0.00 66.02 64.05 1hdn s SER 46 CO 0.00 0.09 0.95 0.25 1.20 0.00 0.00 173.24 175.73 1hdn h LEU 47 N 6.06 -0.59 -0.19 3.45 5.85 -1.85 -1.32 115.31 126.71 1hdn h LEU 47 Ca -0.31 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1hdn h LEU 47 Cb 1.18 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 1hdn h LEU 47 CO 0.49 -0.29 -0.36 0.15 -0.34 0.00 0.00 178.44 178.10 1hdn h PHE 48 N -0.95 -1.00 0.29 1.25 3.04 -1.98 -1.60 116.94 116.00 1hdn h PHE 48 Ca -0.07 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1hdn h PHE 48 Cb 0.53 0.47 -0.01 0.00 2.56 0.00 0.00 35.95 39.50 1hdn h PHE 48 CO 0.04 -0.42 -0.20 0.87 -2.02 0.00 0.00 178.31 176.57 1hdn h LYS 49 N -0.40 -0.47 -0.21 1.11 1.79 -1.84 -1.00 116.57 115.55 1hdn h LYS 49 Ca 0.11 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1hdn h LYS 49 Cb 0.57 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1hdn h LYS 49 CO -0.41 -0.32 0.05 1.25 -1.08 0.00 0.00 179.45 178.94 1hdn h LEU 50 N -0.49 0.33 -1.23 2.94 5.85 -1.03 -0.70 115.31 120.98 1hdn h LEU 50 Ca -0.02 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1hdn h LEU 50 Cb 0.42 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1hdn h LEU 50 CO 0.01 0.49 0.55 1.56 -0.34 0.00 0.00 178.44 180.71 1hdn h GLN 51 N 0.16 0.88 0.00 1.25 4.20 -1.26 -2.32 115.11 118.03 1hdn h GLN 51 Ca 0.07 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1hdn h GLN 51 Cb 0.29 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1hdn h GLN 51 CO 0.00 0.59 -0.31 0.25 -0.67 0.00 0.00 178.83 178.68 1hdn n THR 52 N -4.50 0.01 -2.54 -0.54 -2.24 -0.39 -4.75 114.28 99.34 1hdn n THR 52 Ca 0.13 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.48 1hdn n THR 52 Cb 0.24 -0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 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 -3.03 4.16 -0.91 3.22 2.96 -0.29 -4.97 118.68 119.81 1hdn s LEU 53 Ca 0.12 1.57 -0.25 0.00 -0.22 0.00 0.00 54.13 55.35 1hdn s LEU 53 Cb 0.18 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.27 1hdn s LEU 53 CO 0.64 -0.69 1.98 -0.83 -1.32 0.00 0.00 176.35 176.13 1hdn s GLY 54 N 1.57 0.09 -0.44 7.98 0.00 -1.26 -4.94 107.32 110.32 1hdn s GLY 54 Ca 0.50 -1.49 -0.10 0.00 0.00 0.00 0.00 44.72 43.63 1hdn s GLY 54 CO 0.12 3.56 0.29 1.08 0.00 0.00 0.00 173.10 178.15 1hdn s LEU 55 N 10.56 5.32 0.39 0.66 1.43 -1.26 -5.00 118.68 130.78 1hdn s LEU 55 Ca 0.72 -1.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 1hdn s LEU 55 Cb -0.07 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1hdn s LEU 55 CO 0.01 -0.58 0.13 0.28 0.23 0.00 0.00 176.35 176.42 1hdn s THR 56 N 1.44 0.59 -0.37 5.49 -1.32 -1.26 -0.70 115.64 119.50 1hdn s THR 56 Ca 0.04 -2.00 -0.44 0.00 -1.21 0.00 0.00 61.69 58.08 1hdn s THR 56 Cb -0.24 -2.40 -0.18 0.00 -1.51 0.00 0.00 72.50 68.17 1hdn s THR 56 CO 0.02 0.00 1.62 1.67 -2.21 0.00 0.00 174.62 175.72 1hdn n GLN 57 N -0.86 0.46 0.00 7.08 -0.06 -1.19 -2.03 117.38 120.78 1hdn n GLN 57 Ca -0.05 0.17 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 1hdn n GLN 57 Cb 0.65 -1.74 0.00 0.00 -4.06 0.00 0.00 30.24 25.09 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 3.89 2.80 3.70 1.69 0.00 -0.50 -4.98 105.19 111.79 1hdn n GLY 58 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 1hdn n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hdn n THR 59 N -1.97 0.06 -2.68 2.61 -1.04 -0.86 -4.63 114.28 105.77 1hdn n THR 59 Ca 0.00 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1hdn n THR 59 Cb 0.00 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 66.56 1hdn n THR 59 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1hdn s VAL 60 N 1.39 4.11 -0.39 12.58 1.01 -1.26 -3.18 120.40 134.66 1hdn s VAL 60 Ca 0.77 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 1hdn s VAL 60 Cb -0.54 -4.92 0.01 0.00 0.00 0.00 0.00 36.38 30.93 1hdn s VAL 60 CO 0.34 -1.76 0.28 0.54 0.00 0.00 0.00 175.10 174.50 1hdn s VAL 61 N 4.51 5.25 -0.67 2.92 0.11 0.34 -1.98 120.40 130.89 1hdn s VAL 61 Ca 0.37 -0.51 -0.26 0.00 -2.93 0.00 0.00 61.98 58.65 1hdn s VAL 61 Cb -0.05 -3.85 0.04 0.00 -1.53 0.00 0.00 36.38 30.99 1hdn s VAL 61 CO -0.02 -0.20 1.18 -0.89 -3.33 0.00 0.00 175.10 171.84 1hdn s THR 62 N 1.69 3.95 -0.60 5.04 2.01 -0.28 -1.00 115.64 126.46 1hdn s THR 62 Ca 0.05 0.43 -0.23 0.00 0.31 0.00 0.00 61.69 62.25 1hdn s THR 62 Cb -0.18 -4.80 0.05 0.00 0.01 0.00 0.00 72.50 67.58 1hdn s THR 62 CO 0.10 -1.59 0.94 -0.63 -0.69 0.00 0.00 174.62 172.75 1hdn s ILE 63 N 5.13 4.37 0.06 1.82 1.01 -0.31 -0.85 121.20 132.43 1hdn s ILE 63 Ca 0.35 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.05 1hdn s ILE 63 Cb -0.09 -4.59 -0.03 0.00 0.01 0.00 0.00 42.46 37.75 1hdn s ILE 63 CO 0.18 -1.25 -0.17 -0.55 0.00 0.00 0.00 174.94 173.15 1hdn s SER 64 N 3.19 3.91 -0.04 3.58 0.15 -0.17 -0.66 113.70 123.67 1hdn s SER 64 Ca 0.26 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.51 1hdn s SER 64 Cb -0.15 -0.65 0.01 0.00 -1.71 0.00 0.00 66.02 63.53 1hdn s SER 64 CO 0.15 0.24 -0.09 0.00 1.20 0.00 0.00 173.24 174.74 1hdn s ALA 65 N -0.99 0.96 -0.25 5.45 0.00 -0.02 -0.53 121.76 126.39 1hdn s ALA 65 Ca 0.16 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1hdn s ALA 65 Cb -0.11 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.65 1hdn s ALA 65 CO 0.07 0.11 -0.10 -1.21 0.00 0.00 0.00 175.76 174.63 1hdn s GLU 66 N 0.48 2.13 0.00 0.00 2.02 -0.27 -2.56 118.70 120.50 1hdn s GLU 66 Ca -0.08 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1hdn s GLU 66 Cb -0.12 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1hdn s GLU 66 CO 0.01 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.14 1hdn n GLY 67 N 4.49 -0.48 0.26 -1.39 0.00 -1.26 -0.68 105.19 106.13 1hdn n GLY 67 Ca -0.14 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.48 -1.23 1.61 4.71 -1.26 -4.63 120.64 120.32 1hdn n GLU 68 Ca 0.00 0.20 -0.22 0.00 -0.01 0.00 0.00 57.16 57.14 1hdn n GLU 68 Cb 0.00 -1.32 -0.04 0.00 -1.01 0.00 0.00 31.44 29.07 1hdn n GLU 68 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1hdn n ASP 69 N -4.14 6.31 0.20 1.62 5.68 -1.26 -4.73 116.55 120.23 1hdn n ASP 69 Ca -0.35 -3.07 -0.12 0.00 -0.50 0.00 0.00 54.79 50.76 1hdn n ASP 69 Cb 0.70 -1.20 -0.06 0.00 -1.14 0.00 0.00 41.12 39.41 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 2.49 -0.65 -0.34 0.11 4.11 -1.88 -1.22 114.58 117.21 1hdn h GLU 70 Ca 0.33 0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.72 1hdn h GLU 70 Cb 0.87 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1hdn h GLU 70 CO 0.75 -0.43 -0.11 1.96 0.07 0.00 0.00 179.01 181.25 1hdn h GLN 71 N -0.67 0.69 -0.52 1.06 4.20 -1.91 -1.93 115.11 116.02 1hdn h GLN 71 Ca -0.05 -0.28 0.10 0.00 0.06 0.00 0.00 58.65 58.48 1hdn h GLN 71 Cb 0.57 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.24 1hdn h GLN 71 CO -0.03 0.87 0.07 -0.22 -0.67 0.00 0.00 178.83 178.85 1hdn h LYS 72 N 0.47 0.19 0.05 1.46 3.64 -1.93 -0.69 116.57 119.75 1hdn h LYS 72 Ca 0.08 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1hdn h LYS 72 Cb 0.63 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1hdn h LYS 72 CO 0.04 0.13 -0.02 0.00 -2.27 0.00 0.00 179.45 177.32 1hdn h ALA 73 N 1.43 -0.07 0.04 5.00 0.00 -0.88 -2.45 119.26 122.34 1hdn h ALA 73 Ca 0.27 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1hdn h ALA 73 Cb 0.39 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1hdn h ALA 73 CO -0.38 -0.44 -0.16 0.28 0.00 0.00 0.00 179.25 178.55 1hdn h VAL 74 N -0.27 0.61 -0.34 0.00 2.07 -1.00 -1.63 116.25 115.69 1hdn h VAL 74 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1hdn h VAL 74 Cb 0.24 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1hdn h VAL 74 CO 0.01 0.00 -0.32 -0.08 0.02 0.00 0.00 177.57 177.20 1hdn h GLU 75 N -0.29 -0.27 -0.47 1.57 4.81 -1.12 0.13 114.58 118.94 1hdn h GLU 75 Ca 0.04 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1hdn h GLU 75 Cb 0.34 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1hdn h GLU 75 CO -0.13 -0.18 0.21 1.25 -0.73 0.00 0.00 179.01 179.43 1hdn h HIS 76 N -0.28 0.38 0.14 0.92 2.76 -1.21 -1.43 115.15 116.42 1hdn h HIS 76 Ca 0.16 0.02 -0.30 0.00 -2.20 0.00 0.00 60.37 58.05 1hdn h HIS 76 Cb 0.54 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1hdn h HIS 76 CO -0.51 0.17 -1.44 -0.07 -1.30 0.00 0.00 177.93 174.78 1hdn h LEU 77 N 0.41 0.45 -0.80 0.26 3.38 -0.72 -1.96 115.31 116.33 1hdn h LEU 77 Ca 0.21 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1hdn h LEU 77 Cb 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1hdn h LEU 77 CO -0.18 1.46 0.45 0.58 0.09 0.00 0.00 178.44 180.84 1hdn h VAL 78 N 0.08 1.23 0.00 1.22 2.07 -0.66 -0.55 116.25 119.65 1hdn h VAL 78 Ca -0.21 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1hdn h VAL 78 Cb 2.02 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1hdn h VAL 78 CO 0.19 0.26 -0.00 0.11 0.02 0.00 0.00 177.57 178.14 1hdn h LYS 79 N 1.11 -0.00 -0.14 1.57 1.57 -1.27 -1.11 116.57 118.29 1hdn h LYS 79 Ca 0.28 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1hdn h LYS 79 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1hdn h LYS 79 CO -0.05 0.16 -0.15 1.25 -0.57 0.00 0.00 179.45 180.09 1hdn h LEU 80 N -0.17 -0.48 -1.34 2.94 5.85 -1.20 -1.85 115.31 119.05 1hdn h LEU 80 Ca -0.00 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1hdn h LEU 80 Cb 0.17 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1hdn h LEU 80 CO 0.00 -0.20 0.45 0.24 -0.34 0.00 0.00 178.44 178.59 1hdn h MET 81 N -0.19 0.88 -0.56 1.25 2.86 -1.08 -2.40 114.93 115.69 1hdn h MET 81 Ca 0.10 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1hdn h MET 81 Cb 0.33 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1hdn h MET 81 CO -0.25 0.58 0.03 0.00 1.06 0.00 0.00 176.91 178.33 1hdn h ALA 82 N 1.58 0.99 0.01 6.32 0.00 -0.83 -3.34 119.26 123.99 1hdn h ALA 82 Ca 0.25 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1hdn h ALA 82 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1hdn h ALA 82 CO -0.06 0.62 -0.98 0.93 0.00 0.00 0.00 179.25 179.76 1hdn h GLU 83 N 0.88 0.04 -6.43 0.00 5.08 -0.87 -3.45 114.58 109.83 1hdn h GLU 83 Ca 0.17 -0.07 -0.53 0.00 -1.00 0.00 0.00 59.36 57.93 1hdn h GLU 83 Cb 0.47 0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.77 1hdn h GLU 83 CO 0.02 0.99 1.02 -0.51 -1.00 0.00 0.00 179.01 179.53 1hdn s LEU 84 N -6.89 4.37 0.00 1.33 1.43 -0.97 -5.05 118.68 112.90 1hdn s LEU 84 Ca -0.00 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 1hdn s LEU 84 Cb 0.10 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1hdn s LEU 84 CO 0.82 -0.90 0.11 1.21 0.23 0.00 0.00 176.35 177.82