#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 1.78 0.06 1.12 5.36 -1.23 -4.99 117.98 120.08 1hdn s PHE 2 Ca 0.00 -0.55 0.09 0.00 -0.96 0.00 0.00 56.93 55.51 1hdn s PHE 2 Cb 0.00 -1.21 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 1hdn s PHE 2 CO 0.00 -0.20 -0.23 -1.14 -1.46 0.00 0.00 175.22 172.19 1hdn s GLN 3 N 0.12 1.85 -0.27 10.12 0.74 -1.26 -2.66 119.66 128.30 1hdn s GLN 3 Ca -0.06 -1.10 -0.07 0.00 0.05 0.00 0.00 55.36 54.18 1hdn s GLN 3 Cb -0.13 -2.04 0.13 0.00 1.10 0.00 0.00 33.01 32.07 1hdn s GLN 3 CO 0.03 0.51 0.56 -1.14 -0.55 0.00 0.00 175.29 174.70 1hdn s GLN 4 N -1.43 0.49 0.11 1.67 0.74 -0.51 -5.03 119.66 115.70 1hdn s GLN 4 Ca 0.13 1.20 -0.30 0.00 0.05 0.00 0.00 55.36 56.44 1hdn s GLN 4 Cb -0.10 0.58 -0.06 0.00 1.10 0.00 0.00 33.01 34.52 1hdn s GLN 4 CO 0.04 -0.31 1.10 -1.83 -0.55 0.00 0.00 175.29 173.73 1hdn s GLU 5 N 2.79 4.55 -0.07 1.67 -1.05 -1.26 -0.75 118.70 124.58 1hdn s GLU 5 Ca 0.01 1.66 0.03 0.00 -0.15 0.00 0.00 54.97 56.51 1hdn s GLU 5 Cb -0.13 -3.34 0.01 0.00 -0.44 0.00 0.00 34.13 30.24 1hdn s GLU 5 CO -0.17 -0.03 -0.14 0.08 0.95 0.00 0.00 175.26 175.94 1hdn s VAL 6 N 0.38 1.30 0.27 1.83 1.01 0.51 -4.95 120.40 120.76 1hdn s VAL 6 Ca 0.52 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.68 1hdn s VAL 6 Cb -0.27 -1.17 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 1hdn s VAL 6 CO 0.31 0.39 0.88 0.42 0.00 0.00 0.00 175.10 177.11 1hdn s THR 7 N 0.62 4.29 -0.23 3.92 -4.23 -1.26 -0.59 115.64 118.16 1hdn s THR 7 Ca -0.15 1.73 0.02 0.00 -1.18 0.00 0.00 61.69 62.11 1hdn s THR 7 Cb -0.16 -4.03 0.05 0.00 1.34 0.00 0.00 72.50 69.69 1hdn s THR 7 CO 0.04 0.24 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.60 1hdn s ILE 8 N -1.49 2.08 -0.23 2.99 1.01 -1.24 -4.90 121.20 119.42 1hdn s ILE 8 Ca 0.46 -1.36 0.21 0.00 0.00 0.00 0.00 60.65 59.96 1hdn s ILE 8 Cb -0.20 -2.09 -0.30 0.00 0.01 0.00 0.00 42.46 39.88 1hdn s ILE 8 CO 0.24 0.17 0.55 1.07 0.00 0.00 0.00 174.94 176.97 1hdn n THR 9 N 4.51 0.00 -1.87 2.92 5.66 -1.26 -1.16 114.28 123.09 1hdn n THR 9 Ca -0.16 -0.38 -0.39 0.00 -3.05 0.00 0.00 64.05 60.06 1hdn n THR 9 Cb 0.45 0.23 0.02 0.00 -1.55 0.00 0.00 70.33 69.47 1hdn n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hdn s ALA 10 N -3.35 3.14 0.00 1.79 0.00 -1.26 -4.80 121.76 117.28 1hdn s ALA 10 Ca -0.04 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1hdn s ALA 10 Cb 0.14 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1hdn s ALA 10 CO 0.87 -1.14 0.67 -2.30 0.00 0.00 0.00 175.76 173.86 1hdn n PRO 11 N -0.32 0.00 0.07 0.00 -0.02 -1.26 -2.68 135.00 130.78 1hdn n PRO 11 Ca 0.06 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 62.22 1hdn n PRO 11 Cb 0.43 -1.17 -0.04 0.00 -0.02 0.00 0.00 33.50 32.70 1hdn n PRO 11 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1hdn n ASN 12 N -1.60 0.82 0.00 2.55 0.23 -1.26 -2.29 115.26 113.70 1hdn n ASN 12 Ca 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 1hdn n ASN 12 Cb 0.00 0.39 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1hdn n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hdn n GLY 13 N 1.28 0.66 2.82 4.83 0.00 -1.21 -3.13 105.19 110.44 1hdn n GLY 13 Ca -0.05 0.54 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 6.90 0.00 0.99 4.77 -0.73 -4.79 117.00 124.15 1hdn n LEU 14 Ca 0.00 -5.14 0.00 0.00 -0.03 0.00 0.00 56.01 50.84 1hdn n LEU 14 Cb 0.00 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1hdn n LEU 14 CO 0.00 1.79 0.00 0.00 -1.33 0.00 0.00 177.39 177.85 1hdn n HIS 15 N 1.36 -0.37 0.02 -1.77 1.44 -1.19 -4.41 115.22 110.31 1hdn n HIS 15 Ca 0.38 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.97 1hdn n HIS 15 Cb 0.31 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.35 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 -0.37 1.05 -0.37 0.61 1.35 -1.93 -1.81 112.91 111.43 1hdn h THR 16 Ca 0.00 -0.13 -0.07 0.00 -0.55 0.00 0.00 66.41 65.66 1hdn h THR 16 Cb 0.00 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 1hdn h THR 16 CO 0.00 0.04 -0.02 0.03 -0.25 0.00 0.00 175.52 175.32 1hdn h ARG 17 N -0.02 0.67 -0.88 4.72 2.47 -1.98 0.80 114.38 120.18 1hdn h ARG 17 Ca 0.01 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1hdn h ARG 17 Cb 0.05 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.27 1hdn h ARG 17 CO -0.00 0.79 0.55 -1.35 0.56 0.00 0.00 179.97 180.51 1hdn h PRO 18 N 0.49 1.18 -0.60 0.04 0.11 -1.87 -2.08 132.00 129.26 1hdn h PRO 18 Ca 0.10 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 66.13 1hdn h PRO 18 Cb 0.50 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 1hdn h PRO 18 CO 0.02 0.81 0.40 0.00 -0.21 0.00 0.00 178.00 179.02 1hdn h ALA 19 N 1.30 0.77 -0.24 -0.75 0.00 -1.09 -0.02 119.26 119.22 1hdn h ALA 19 Ca 0.32 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1hdn h ALA 19 Cb -0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1hdn h ALA 19 CO -0.06 0.19 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 1hdn h ALA 20 N 1.23 0.17 -0.35 0.00 0.00 -0.70 -2.30 119.26 117.31 1hdn h ALA 20 Ca 0.22 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1hdn h ALA 20 Cb -0.08 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1hdn h ALA 20 CO -0.05 -0.46 0.09 1.96 0.00 0.00 0.00 179.25 180.79 1hdn h GLN 21 N 0.02 0.22 -0.81 0.00 4.20 -0.92 -2.63 115.11 115.19 1hdn h GLN 21 Ca 0.11 -0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.97 1hdn h GLN 21 Cb 0.16 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.79 1hdn h GLN 21 CO -0.23 0.15 0.34 0.74 -0.67 0.00 0.00 178.83 179.16 1hdn h PHE 22 N 0.23 0.58 0.46 2.96 0.04 -0.73 -0.35 116.94 120.12 1hdn h PHE 22 Ca 0.16 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.95 1hdn h PHE 22 Cb 0.16 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1hdn h PHE 22 CO -0.16 0.05 -0.22 0.28 -0.60 0.00 0.00 178.31 177.66 1hdn h VAL 23 N 0.46 0.54 -0.49 -0.55 2.07 -1.06 0.33 116.25 117.56 1hdn h VAL 23 Ca 0.46 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.06 1hdn h VAL 23 Cb 0.74 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1hdn h VAL 23 CO -0.43 0.00 0.12 0.50 0.02 0.00 0.00 177.57 177.78 1hdn h LYS 24 N -0.62 0.26 0.26 1.57 3.64 -1.16 -0.80 116.57 119.72 1hdn h LYS 24 Ca -0.06 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1hdn h LYS 24 Cb 0.48 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1hdn h LYS 24 CO 0.10 0.17 -0.12 1.49 -2.27 0.00 0.00 179.45 178.82 1hdn h GLU 25 N 0.27 -0.33 -0.90 1.90 4.57 -0.84 -3.30 114.58 115.95 1hdn h GLU 25 Ca 0.24 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.56 1hdn h GLU 25 Cb 0.30 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.90 1hdn h GLU 25 CO -0.29 -0.01 0.58 0.00 -1.18 0.00 0.00 179.01 178.10 1hdn h ALA 26 N -0.05 1.71 -1.18 2.92 0.00 -0.17 -1.36 119.26 121.12 1hdn h ALA 26 Ca -0.04 0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.22 1hdn h ALA 26 Cb 0.47 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1hdn h ALA 26 CO 0.06 0.08 0.79 0.87 0.00 0.00 0.00 179.25 181.05 1hdn h LYS 27 N 0.81 0.19 -0.77 0.00 1.79 -1.22 -1.60 116.57 115.77 1hdn h LYS 27 Ca 0.44 -0.01 -0.37 0.00 -2.18 0.00 0.00 60.65 58.52 1hdn h LYS 27 Cb 0.55 -0.04 -0.22 0.00 -1.58 0.00 0.00 32.23 30.93 1hdn h LYS 27 CO -0.20 0.13 0.39 0.41 -1.08 0.00 0.00 179.45 179.10 1hdn n GLY 28 N -1.60 4.49 3.52 3.86 0.00 -0.51 -4.91 105.19 110.04 1hdn n GLY 28 Ca 0.28 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.24 2.70 0.09 1.61 0.08 -0.61 -5.05 117.98 113.56 1hdn s PHE 29 Ca 0.53 -0.17 0.09 0.00 0.12 0.00 0.00 56.93 57.51 1hdn s PHE 29 Cb 0.45 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 41.34 1hdn s PHE 29 CO 0.08 0.32 1.37 1.79 -0.10 0.00 0.00 175.22 178.68 1hdn h THR 30 N 3.77 1.48 -3.74 0.64 1.35 -1.91 -3.43 112.91 111.08 1hdn h THR 30 Ca -0.48 -2.96 -0.50 0.00 -0.55 0.00 0.00 66.41 61.92 1hdn h THR 30 Cb 1.16 2.65 -0.00 0.00 -1.73 0.00 0.00 68.15 70.22 1hdn h THR 30 CO 0.50 0.81 0.41 -0.94 -0.25 0.00 0.00 175.52 176.06 1hdn s SER 31 N -6.66 7.47 -0.74 5.36 1.04 -1.26 -4.35 113.70 114.55 1hdn s SER 31 Ca 0.01 2.07 -0.26 0.00 0.48 0.00 0.00 55.95 58.25 1hdn s SER 31 Cb 0.10 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.64 1hdn s SER 31 CO 0.79 0.00 1.24 -0.70 0.98 0.00 0.00 173.24 175.55 1hdn s GLU 32 N -1.13 3.20 -0.47 4.02 2.12 0.42 -4.82 118.70 122.06 1hdn s GLU 32 Ca 0.43 -0.40 -0.26 0.00 0.36 0.00 0.00 54.97 55.10 1hdn s GLU 32 Cb -0.28 -4.26 -0.06 0.00 0.26 0.00 0.00 34.13 29.79 1hdn s GLU 32 CO 0.35 -2.10 2.29 0.42 -0.54 0.00 0.00 175.26 175.69 1hdn s ILE 33 N 5.40 3.07 -0.18 -3.70 -1.09 -1.26 -1.76 121.20 121.68 1hdn s ILE 33 Ca 0.34 0.05 -0.09 0.00 -2.23 0.00 0.00 60.65 58.71 1hdn s ILE 33 Cb -0.09 -3.16 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 1hdn s ILE 33 CO 0.13 -0.15 0.12 -0.89 -1.23 0.00 0.00 174.94 172.92 1hdn s THR 34 N 11.11 5.35 -0.53 2.92 2.01 0.24 -0.47 115.64 136.27 1hdn s THR 34 Ca 0.93 0.16 0.02 0.00 0.31 0.00 0.00 61.69 63.12 1hdn s THR 34 Cb -0.19 -3.42 0.13 0.00 0.01 0.00 0.00 72.50 69.04 1hdn s THR 34 CO 0.27 0.48 0.28 -0.69 -0.69 0.00 0.00 174.62 174.26 1hdn s VAL 35 N 0.11 2.83 0.13 3.82 1.01 0.78 -0.57 120.40 128.51 1hdn s VAL 35 Ca 0.09 -3.13 -0.26 0.00 0.00 0.00 0.00 61.98 58.67 1hdn s VAL 35 Cb -0.11 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 1hdn s VAL 35 CO -0.01 -0.80 0.80 -0.89 0.00 0.00 0.00 175.10 174.21 1hdn s THR 36 N -0.11 4.46 -0.42 3.92 2.01 -0.52 -2.43 115.64 122.55 1hdn s THR 36 Ca 0.16 1.74 0.02 0.00 0.31 0.00 0.00 61.69 63.93 1hdn s THR 36 Cb -0.24 -4.16 0.13 0.00 0.01 0.00 0.00 72.50 68.23 1hdn s THR 36 CO -0.02 0.46 0.20 -0.55 -0.69 0.00 0.00 174.62 174.03 1hdn s SER 37 N -0.74 3.93 -0.17 3.53 0.15 -0.53 0.05 113.70 119.93 1hdn s SER 37 Ca 0.38 -2.50 -0.05 0.00 0.70 0.00 0.00 55.95 54.48 1hdn s SER 37 Cb -0.23 -1.17 0.01 0.00 -1.71 0.00 0.00 66.02 62.92 1hdn s SER 37 CO 0.26 -0.29 0.10 -0.46 1.20 0.00 0.00 173.24 174.04 1hdn n ASN 38 N 3.74 -7.01 0.00 5.45 0.23 -1.26 -2.98 115.26 113.43 1hdn n ASN 38 Ca 0.06 0.69 0.00 0.00 -0.53 0.00 0.00 54.58 54.79 1hdn n ASN 38 Cb 0.36 -2.99 0.00 0.00 -2.08 0.00 0.00 39.78 35.06 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 0.87 1.21 3.57 4.83 0.00 -1.26 -4.92 105.19 109.49 1hdn n GLY 39 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 2.68 -0.45 1.61 1.02 -1.16 -4.96 119.74 118.48 1hdn s LYS 40 Ca 0.00 1.31 -0.23 0.00 0.02 0.00 0.00 55.97 57.07 1hdn s LYS 40 Cb 0.00 -4.41 0.03 0.00 -0.52 0.00 0.00 37.83 32.92 1hdn s LYS 40 CO 0.00 -2.62 0.77 -1.12 -0.92 0.00 0.00 175.35 171.46 1hdn s SER 41 N 9.12 6.39 -0.49 2.83 0.01 -1.26 -1.45 113.70 128.86 1hdn s SER 41 Ca 0.86 -0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.94 1hdn s SER 41 Cb -0.20 -2.38 0.13 0.00 0.21 0.00 0.00 66.02 63.78 1hdn s SER 41 CO 0.28 -0.92 0.28 0.00 0.41 0.00 0.00 173.24 173.29 1hdn s ALA 42 N 3.26 3.30 -0.08 1.44 0.00 -1.02 -4.98 121.76 123.68 1hdn s ALA 42 Ca 0.29 -2.84 -0.30 0.00 0.00 0.00 0.00 51.96 49.11 1hdn s ALA 42 Cb -0.12 -2.46 -0.08 0.00 0.00 0.00 0.00 23.12 20.46 1hdn s ALA 42 CO 0.22 -1.91 2.07 0.45 0.00 0.00 0.00 175.76 176.58 1hdn n SER 43 N 4.09 3.71 0.31 0.00 2.88 -1.26 -0.16 113.62 123.19 1hdn n SER 43 Ca 0.02 0.63 0.18 0.00 -1.33 0.00 0.00 58.87 58.37 1hdn n SER 43 Cb 0.40 -1.52 0.99 0.00 -0.75 0.00 0.00 64.21 63.33 1hdn n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hdn h ALA 44 N 12.22 1.24 0.00 -1.46 0.00 -1.12 -2.61 119.26 127.53 1hdn h ALA 44 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1hdn h ALA 44 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1hdn h ALA 44 CO 0.95 0.03 0.00 1.63 0.00 0.00 0.00 179.25 181.86 1hdn n LYS 45 N -3.45 0.55 -3.85 0.00 5.02 -1.26 -3.80 118.16 111.37 1hdn n LYS 45 Ca -0.03 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.01 1hdn n LYS 45 Cb 0.12 -1.46 -0.17 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.96 2.12 0.24 4.39 0.15 -0.98 -4.90 113.70 112.76 1hdn s SER 46 Ca 0.24 -0.31 -0.06 0.00 0.70 0.00 0.00 55.95 56.53 1hdn s SER 46 Cb 0.11 -0.70 0.36 0.00 -1.71 0.00 0.00 66.02 64.07 1hdn s SER 46 CO 0.19 -0.16 1.81 0.25 1.20 0.00 0.00 173.24 176.52 1hdn h LEU 47 N 8.22 0.64 0.39 3.45 5.85 -1.86 -0.36 115.31 131.65 1hdn h LEU 47 Ca -0.25 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1hdn h LEU 47 Cb 1.13 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1hdn h LEU 47 CO 0.35 0.38 -0.48 0.15 -0.34 0.00 0.00 178.44 178.50 1hdn h PHE 48 N 0.76 -1.35 -0.09 1.25 3.57 -1.95 0.57 116.94 119.69 1hdn h PHE 48 Ca 0.37 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 1hdn h PHE 48 Cb 0.32 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1hdn h PHE 48 CO -0.07 -0.62 -0.01 0.87 -2.23 0.00 0.00 178.31 176.26 1hdn h LYS 49 N -0.90 0.12 0.00 1.11 1.57 -1.76 -3.21 116.57 113.50 1hdn h LYS 49 Ca -0.05 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1hdn h LYS 49 Cb 0.80 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1hdn h LYS 49 CO -0.11 0.15 -0.61 1.25 -0.57 0.00 0.00 179.45 179.55 1hdn h LEU 50 N 0.13 0.00 -0.75 2.94 5.85 -0.85 -3.39 115.31 119.24 1hdn h LEU 50 Ca 0.03 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1hdn h LEU 50 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1hdn h LEU 50 CO 0.00 1.06 0.00 1.67 -0.34 0.00 0.00 178.44 180.83 1hdn n GLN 51 N -4.57 0.16 0.08 1.25 7.27 0.17 -0.61 117.38 121.14 1hdn n GLN 51 Ca -0.16 0.45 -0.02 0.00 0.07 0.00 0.00 57.00 57.34 1hdn n GLN 51 Cb 0.43 -1.85 0.24 0.00 2.41 0.00 0.00 30.24 31.47 1hdn n GLN 51 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1hdn h THR 52 N 0.00 1.29 -3.88 1.69 1.03 -1.75 -3.45 112.91 107.84 1hdn h THR 52 Ca 0.00 -1.41 -0.48 0.00 -0.01 0.00 0.00 66.41 64.51 1hdn h THR 52 Cb 0.28 1.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 1hdn h THR 52 CO 0.00 0.43 0.40 -0.76 -0.01 0.00 0.00 175.52 175.58 1hdn s LEU 53 N -8.37 4.35 -0.47 0.00 2.01 0.22 -5.03 118.68 111.38 1hdn s LEU 53 Ca -0.05 2.04 -0.21 0.00 0.01 0.00 0.00 54.13 55.92 1hdn s LEU 53 Cb 0.14 -3.94 0.04 0.00 0.01 0.00 0.00 46.19 42.43 1hdn s LEU 53 CO 0.77 -0.23 0.68 -0.83 1.01 0.00 0.00 176.35 177.75 1hdn s GLY 54 N -1.36 1.69 -0.73 -3.19 0.00 -1.26 -5.01 107.32 97.46 1hdn s GLY 54 Ca 0.51 -1.38 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 1hdn s GLY 54 CO 0.30 1.58 0.61 1.08 0.00 0.00 0.00 173.10 176.68 1hdn s LEU 55 N 2.91 6.05 0.00 0.66 1.02 -1.26 -4.91 118.68 123.16 1hdn s LEU 55 Ca 0.21 -2.75 -0.01 0.00 0.02 0.00 0.00 54.13 51.61 1hdn s LEU 55 Cb -0.15 -2.05 0.00 0.00 0.02 0.00 0.00 46.19 44.01 1hdn s LEU 55 CO 0.17 -0.48 0.13 1.07 0.02 0.00 0.00 176.35 177.25 1hdn n THR 56 N 3.77 0.00 -1.59 5.49 5.66 -1.26 -1.77 114.28 124.58 1hdn n THR 56 Ca 0.10 -0.44 -0.46 0.00 -3.05 0.00 0.00 64.05 60.21 1hdn n THR 56 Cb 0.43 0.28 -0.04 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.15 1.95 0.00 1.09 7.27 -0.97 -2.10 117.38 124.47 1hdn n GLN 57 Ca -0.00 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.68 1hdn n GLN 57 Cb 0.15 -2.93 0.00 0.00 2.41 0.00 0.00 30.24 29.87 1hdn n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hdn n GLY 58 N 5.51 2.75 3.56 1.69 0.00 -0.31 -5.02 105.19 113.37 1hdn n GLY 58 Ca 0.30 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 1hdn n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hdn s THR 59 N -1.47 3.18 -0.65 2.61 -4.23 -0.89 -4.76 115.64 109.42 1hdn s THR 59 Ca 0.00 0.12 -0.27 0.00 -1.18 0.00 0.00 61.69 60.36 1hdn s THR 59 Cb 0.00 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.45 1hdn s THR 59 CO 0.00 -0.37 1.44 -0.69 -0.54 0.00 0.00 174.62 174.46 1hdn s VAL 60 N 10.24 3.67 -0.17 2.29 1.01 -1.26 -3.59 120.40 132.60 1hdn s VAL 60 Ca 0.85 0.46 -0.15 0.00 0.00 0.00 0.00 61.98 63.14 1hdn s VAL 60 Cb -0.17 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 1hdn s VAL 60 CO 0.26 -1.43 0.36 0.68 0.00 0.00 0.00 175.10 174.96 1hdn s VAL 61 N 6.52 5.25 -0.43 2.92 -7.23 0.25 -4.46 120.40 123.22 1hdn s VAL 61 Ca 0.47 0.67 -0.16 0.00 -1.81 0.00 0.00 61.98 61.16 1hdn s VAL 61 Cb -0.10 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.17 1hdn s VAL 61 CO 0.19 0.33 0.38 -0.89 -0.31 0.00 0.00 175.10 174.80 1hdn s THR 62 N 0.82 5.17 -0.42 5.32 2.01 0.11 -0.36 115.64 128.28 1hdn s THR 62 Ca 0.19 -0.57 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 1hdn s THR 62 Cb -0.14 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.38 1hdn s THR 62 CO 0.07 -0.41 1.02 -0.63 -0.69 0.00 0.00 174.62 173.97 1hdn s ILE 63 N 1.91 4.43 -0.25 1.82 1.01 0.07 -1.44 121.20 128.76 1hdn s ILE 63 Ca 0.08 1.18 0.03 0.00 0.00 0.00 0.00 60.65 61.94 1hdn s ILE 63 Cb -0.19 -4.46 0.06 0.00 0.01 0.00 0.00 42.46 37.88 1hdn s ILE 63 CO 0.11 -0.75 -0.11 -0.55 0.00 0.00 0.00 174.94 173.64 1hdn s SER 64 N 2.12 4.33 -0.59 3.58 0.15 0.27 -1.43 113.70 122.12 1hdn s SER 64 Ca 0.42 -1.34 -0.13 0.00 0.70 0.00 0.00 55.95 55.60 1hdn s SER 64 Cb -0.10 -1.52 0.15 0.00 -1.71 0.00 0.00 66.02 62.84 1hdn s SER 64 CO 0.24 -0.18 0.52 0.00 1.20 0.00 0.00 173.24 175.02 1hdn s ALA 65 N 1.13 3.68 -0.86 5.45 0.00 -1.09 -0.59 121.76 129.49 1hdn s ALA 65 Ca -0.08 -2.76 -0.20 0.00 0.00 0.00 0.00 51.96 48.91 1hdn s ALA 65 Cb -0.20 -3.18 0.10 0.00 0.00 0.00 0.00 23.12 19.85 1hdn s ALA 65 CO -0.06 -2.06 1.11 -1.83 0.00 0.00 0.00 175.76 172.93 1hdn s GLU 66 N 1.11 3.45 0.00 0.00 -1.05 -0.72 -3.56 118.70 117.93 1hdn s GLU 66 Ca 0.08 -1.41 0.00 0.00 -0.15 0.00 0.00 54.97 53.49 1hdn s GLU 66 Cb -0.24 -4.76 0.00 0.00 -0.44 0.00 0.00 34.13 28.69 1hdn s GLU 66 CO -0.01 -1.83 0.00 0.41 0.95 0.00 0.00 175.26 174.78 1hdn n GLY 67 N 5.60 0.10 0.48 -3.83 0.00 -1.26 -0.43 105.19 105.84 1hdn n GLY 67 Ca 0.17 -1.52 -0.17 0.00 0.00 0.00 0.00 46.02 44.50 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 1.19 -0.92 -1.55 1.61 5.08 -1.91 -2.96 114.58 115.13 1hdn h GLU 68 Ca 0.00 0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1hdn h GLU 68 Cb 0.00 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1hdn h GLU 68 CO 0.00 -0.61 0.13 -0.40 -1.00 0.00 0.00 179.01 177.13 1hdn n ASP 69 N -5.37 4.83 -0.01 1.42 5.68 -1.26 -4.75 116.55 117.09 1hdn n ASP 69 Ca -0.11 -2.51 -0.00 0.00 -0.50 0.00 0.00 54.79 51.67 1hdn n ASP 69 Cb 0.44 -0.91 -0.00 0.00 -1.14 0.00 0.00 41.12 39.50 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 0.82 -0.00 -0.68 0.11 4.11 -1.78 -0.10 114.58 117.05 1hdn h GLU 70 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 1hdn h GLU 70 Cb 1.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1hdn h GLU 70 CO 0.23 -0.00 0.40 -0.56 0.07 0.00 0.00 179.01 179.15 1hdn h GLN 71 N -0.00 0.94 -0.30 1.06 -0.00 -1.88 -2.14 115.11 112.79 1hdn h GLN 71 Ca 0.00 -0.10 -0.07 0.00 -0.00 0.00 0.00 58.65 58.49 1hdn h GLN 71 Cb 0.01 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.48 27.29 1hdn h GLN 71 CO -0.03 0.69 -0.07 0.87 -0.00 0.00 0.00 178.83 180.28 1hdn h LYS 72 N 0.93 0.58 -0.69 0.06 1.57 -1.80 0.80 116.57 118.02 1hdn h LYS 72 Ca 0.24 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1hdn h LYS 72 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1hdn h LYS 72 CO -0.04 0.77 0.33 0.00 -0.57 0.00 0.00 179.45 179.93 1hdn h ALA 73 N 0.79 1.27 -0.11 3.86 0.00 -0.93 -1.24 119.26 122.90 1hdn h ALA 73 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1hdn h ALA 73 Cb 0.56 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hdn h ALA 73 CO 0.03 0.56 -0.06 0.28 0.00 0.00 0.00 179.25 180.06 1hdn h VAL 74 N 0.98 1.33 -0.53 0.00 2.07 -0.94 -0.54 116.25 118.62 1hdn h VAL 74 Ca 0.24 -1.11 0.11 0.00 0.82 0.00 0.00 66.70 66.75 1hdn h VAL 74 Cb 0.11 1.84 -0.10 0.00 -1.52 0.00 0.00 31.29 31.62 1hdn h VAL 74 CO -0.03 0.32 -0.13 -0.08 0.02 0.00 0.00 177.57 177.67 1hdn h GLU 75 N -0.13 0.00 0.54 1.57 4.81 -0.57 0.15 114.58 120.94 1hdn h GLU 75 Ca 0.02 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1hdn h GLU 75 Cb 0.53 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1hdn h GLU 75 CO 0.02 0.00 -0.36 1.25 -0.73 0.00 0.00 179.01 179.19 1hdn h HIS 76 N 0.00 -0.97 0.00 0.92 2.76 -1.18 -1.91 115.15 114.78 1hdn h HIS 76 Ca 0.26 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 1hdn h HIS 76 Cb 0.39 0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1hdn h HIS 76 CO -0.44 -0.54 -0.21 -0.07 -1.30 0.00 0.00 177.93 175.37 1hdn h LEU 77 N -0.87 0.00 -0.14 0.26 4.07 -0.56 -1.44 115.31 116.64 1hdn h LEU 77 Ca -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1hdn h LEU 77 Cb 0.72 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 1hdn h LEU 77 CO 0.04 0.21 -0.01 0.58 -1.08 0.00 0.00 178.44 178.17 1hdn h VAL 78 N 0.00 1.27 -0.11 1.22 2.07 -0.56 -2.14 116.25 117.99 1hdn h VAL 78 Ca -0.00 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.66 1hdn h VAL 78 Cb 0.49 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1hdn h VAL 78 CO 0.03 0.26 -0.17 0.50 0.02 0.00 0.00 177.57 178.20 1hdn h LYS 79 N -0.03 -0.22 0.10 1.57 3.64 -0.86 0.59 116.57 121.36 1hdn h LYS 79 Ca 0.04 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1hdn h LYS 79 Cb 0.41 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 1hdn h LYS 79 CO 0.01 -0.14 -0.41 -0.07 -2.27 0.00 0.00 179.45 176.56 1hdn h LEU 80 N -0.23 -1.23 -1.03 5.20 3.38 -1.35 -1.48 115.31 118.59 1hdn h LEU 80 Ca 0.09 0.14 0.17 0.00 0.09 0.00 0.00 57.88 58.37 1hdn h LEU 80 Cb 0.36 0.47 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 1hdn h LEU 80 CO -0.25 -0.48 0.62 0.24 0.09 0.00 0.00 178.44 178.66 1hdn h MET 81 N -0.64 0.81 -0.26 1.13 2.86 -0.86 -1.82 114.93 116.16 1hdn h MET 81 Ca 0.03 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1hdn h MET 81 Cb 0.67 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1hdn h MET 81 CO -0.25 0.54 -0.18 0.00 1.06 0.00 0.00 176.91 178.07 1hdn h ALA 82 N 1.61 0.37 0.00 6.32 0.00 -0.48 -3.29 119.26 123.79 1hdn h ALA 82 Ca 0.55 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1hdn h ALA 82 Cb 0.77 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1hdn h ALA 82 CO -0.33 0.29 -0.44 1.05 0.00 0.00 0.00 179.25 179.82 1hdn h GLU 83 N 0.30 0.00 -5.09 0.00 4.11 -0.76 -3.42 114.58 109.72 1hdn h GLU 83 Ca 0.05 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.79 1hdn h GLU 83 Cb 0.72 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.80 1hdn h GLU 83 CO 0.05 0.44 0.98 -0.51 0.07 0.00 0.00 179.01 180.04 1hdn s LEU 84 N -7.19 4.91 0.00 3.06 1.43 -0.73 -5.11 118.68 115.04 1hdn s LEU 84 Ca -0.00 -2.13 0.11 0.00 -1.03 0.00 0.00 54.13 51.08 1hdn s LEU 84 Cb 0.11 -2.42 0.08 0.00 0.03 0.00 0.00 46.19 44.00 1hdn s LEU 84 CO 0.71 -1.06 0.84 -0.62 0.23 0.00 0.00 176.35 176.45