#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdd s PRO 4 N 0.00 2.07 0.02 2.89 0.04 -1.26 -4.97 135.00 133.80 3hdd s PRO 4 Ca 0.00 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 3hdd s PRO 4 Cb 0.00 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 3hdd s PRO 4 CO 0.00 -1.92 1.02 0.50 0.04 0.00 0.00 177.00 176.64 3hdd s ARG 5 N -3.76 4.55 0.50 4.56 3.52 -1.26 -5.04 118.95 122.01 3hdd s ARG 5 Ca 0.78 1.50 0.01 0.00 -0.13 0.00 0.00 55.73 57.89 3hdd s ARG 5 Cb -0.33 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.64 3hdd s ARG 5 CO 0.45 -0.07 0.10 -2.37 -0.81 0.00 0.00 175.30 172.60 3hdd n THR 6 N 3.78 0.00 -4.05 4.11 5.66 -1.26 -5.14 114.28 117.37 3hdd n THR 6 Ca 0.06 -2.25 -0.19 0.00 -3.05 0.00 0.00 64.05 58.62 3hdd n THR 6 Cb 0.50 0.33 -0.16 0.00 -1.55 0.00 0.00 70.33 69.45 3hdd n THR 6 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hdd s ALA 7 N -2.82 0.57 0.26 1.79 0.00 -1.26 -5.14 121.76 115.16 3hdd s ALA 7 Ca 0.07 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.84 3hdd s ALA 7 Cb -0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 3hdd s ALA 7 CO 0.05 -0.08 0.76 -0.06 0.00 0.00 0.00 175.76 176.43 3hdd s PHE 8 N 1.05 3.59 0.90 0.00 0.08 -1.26 -5.06 117.98 117.28 3hdd s PHE 8 Ca -0.09 1.42 -0.13 0.00 0.12 0.00 0.00 56.93 58.25 3hdd s PHE 8 Cb -0.14 -2.65 0.13 0.00 -0.57 0.00 0.00 43.02 39.79 3hdd s PHE 8 CO -0.01 0.26 1.17 -1.54 -0.10 0.00 0.00 175.22 175.00 3hdd s SER 9 N -1.78 3.67 0.35 1.36 1.04 -1.26 -4.82 113.70 112.26 3hdd s SER 9 Ca 0.47 0.83 0.08 0.00 0.48 0.00 0.00 55.95 57.81 3hdd s SER 9 Cb -0.15 -1.31 0.64 0.00 0.10 0.00 0.00 66.02 65.30 3hdd s SER 9 CO 0.20 -2.44 1.82 0.28 0.98 0.00 0.00 173.24 174.09 3hdd h SER 10 N -1.42 0.23 0.05 7.02 0.02 -1.99 -0.80 113.55 116.66 3hdd h SER 10 Ca -0.48 -0.07 -0.21 0.00 -0.84 0.00 0.00 61.79 60.19 3hdd h SER 10 Cb 1.32 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3hdd h SER 10 CO 0.60 0.49 -0.77 -0.33 -1.14 0.00 0.00 176.83 175.68 3hdd h GLU 11 N 0.21 0.61 -0.15 3.45 5.08 -1.99 -1.89 114.58 119.90 3hdd h GLU 11 Ca 0.03 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 3hdd h GLU 11 Cb 0.56 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3hdd h GLU 11 CO 0.04 1.12 0.02 1.96 -1.00 0.00 0.00 179.01 181.15 3hdd h GLN 12 N 0.41 0.25 -0.67 2.33 4.20 -1.85 -2.12 115.11 117.67 3hdd h GLN 12 Ca -0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3hdd h GLN 12 Cb 1.37 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.09 3hdd h GLN 12 CO 0.15 0.45 0.38 -0.07 -0.67 0.00 0.00 178.83 179.06 3hdd h LEU 13 N 0.02 0.82 -0.10 1.46 3.38 -1.17 -0.93 115.31 118.79 3hdd h LEU 13 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hdd h LEU 13 Cb 0.33 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hdd h LEU 13 CO 0.00 0.66 -0.01 0.00 0.09 0.00 0.00 178.44 179.18 3hdd h ALA 14 N 1.48 0.14 -0.17 1.53 0.00 -1.22 -0.85 119.26 120.16 3hdd h ALA 14 Ca 0.24 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3hdd h ALA 14 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hdd h ALA 14 CO -0.04 -0.15 -0.29 -0.09 0.00 0.00 0.00 179.25 178.68 3hdd h ARG 15 N -0.12 0.33 -0.41 0.00 9.65 -1.20 -1.54 114.38 121.09 3hdd h ARG 15 Ca 0.03 -0.12 -0.12 0.00 -1.10 0.00 0.00 59.98 58.66 3hdd h ARG 15 Cb 0.40 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 3hdd h ARG 15 CO 0.01 0.59 -0.21 -0.07 2.80 0.00 0.00 179.97 183.09 3hdd h LEU 16 N 0.29 0.90 -0.96 3.80 4.07 -1.08 -2.57 115.31 119.76 3hdd h LEU 16 Ca 0.04 -0.41 -0.11 0.00 0.08 0.00 0.00 57.88 57.49 3hdd h LEU 16 Cb 0.66 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 3hdd h LEU 16 CO 0.05 1.11 -0.41 0.11 -1.08 0.00 0.00 178.44 178.21 3hdd h LYS 17 N 0.68 0.22 -0.03 1.13 1.57 -0.87 -2.29 116.57 116.98 3hdd h LYS 17 Ca 0.09 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 3hdd h LYS 17 Cb 0.78 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3hdd h LYS 17 CO 0.06 0.60 -0.72 -0.09 -0.57 0.00 0.00 179.45 178.73 3hdd h ARG 18 N 0.18 0.19 -0.23 3.15 2.43 -1.17 -2.89 114.38 116.04 3hdd h ARG 18 Ca 0.02 -0.16 -0.14 0.00 -0.81 0.00 0.00 59.98 58.88 3hdd h ARG 18 Cb 0.81 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3hdd h ARG 18 CO 0.06 0.83 -0.41 0.93 -1.51 0.00 0.00 179.97 179.87 3hdd h GLU 19 N 0.13 0.68 0.00 0.20 4.39 -1.28 -2.99 114.58 115.72 3hdd h GLU 19 Ca -0.02 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 3hdd h GLU 19 Cb 1.28 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3hdd h GLU 19 CO 0.11 1.05 -0.06 0.35 -1.16 0.00 0.00 179.01 179.30 3hdd h PHE 20 N 0.40 0.00 0.00 4.33 3.57 -1.46 -1.62 116.94 122.16 3hdd h PHE 20 Ca 0.01 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 3hdd h PHE 20 Cb 1.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 3hdd h PHE 20 CO 0.08 0.06 -0.53 -0.97 -2.23 0.00 0.00 178.31 174.72 3hdd h ASN 21 N 0.00 0.00 0.07 0.41 -0.73 -1.35 -3.29 115.58 110.68 3hdd h ASN 21 Ca -0.00 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.91 3hdd h ASN 21 Cb 0.38 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.95 3hdd h ASN 21 CO 0.01 0.53 -1.40 -0.33 -0.37 0.00 0.00 177.43 175.87 3hdd h GLU 22 N 0.00 0.15 -2.51 6.67 4.39 -1.40 -3.47 114.58 118.41 3hdd h GLU 22 Ca -0.01 -0.26 -0.09 0.00 0.34 0.00 0.00 59.36 59.35 3hdd h GLU 22 Cb 1.25 0.10 -0.27 0.00 -0.10 0.00 0.00 28.75 29.72 3hdd h GLU 22 CO 0.07 1.12 -0.35 1.21 -1.16 0.00 0.00 179.01 179.90 3hdd s ASN 23 N -6.93 -0.32 0.00 1.42 3.84 -0.66 -5.02 114.94 107.27 3hdd s ASN 23 Ca -0.23 1.01 0.18 0.00 0.21 0.00 0.00 52.86 54.03 3hdd s ASN 23 Cb 0.05 1.31 0.86 0.00 -0.55 0.00 0.00 41.25 42.92 3hdd s ASN 23 CO 0.70 -0.23 1.58 0.54 -2.79 0.00 0.00 177.10 176.90 3hdd n ARG 24 N 5.25 0.13 -5.07 0.43 1.74 -1.24 -4.16 116.66 113.74 3hdd n ARG 24 Ca -0.10 0.15 -0.32 0.00 -0.77 0.00 0.00 57.85 56.80 3hdd n ARG 24 Cb 0.50 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 3hdd n ARG 24 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hdd s TYR 25 N -2.78 2.56 -0.09 -1.55 1.51 -1.26 -4.93 117.35 110.80 3hdd s TYR 25 Ca 0.13 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.75 3hdd s TYR 25 Cb 0.12 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 3hdd s TYR 25 CO 0.31 -0.01 0.03 -0.51 -1.11 0.00 0.00 175.55 174.26 3hdd s LEU 26 N -0.45 3.76 0.41 -1.29 1.43 -1.26 -5.10 118.68 116.17 3hdd s LEU 26 Ca 0.05 0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 3hdd s LEU 26 Cb -0.12 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3hdd s LEU 26 CO 0.01 0.39 0.58 0.42 0.23 0.00 0.00 176.35 177.97 3hdd s THR 27 N -0.92 3.56 0.08 5.49 -4.23 -1.26 -4.94 115.64 113.42 3hdd s THR 27 Ca 0.14 -0.87 -0.25 0.00 -1.18 0.00 0.00 61.69 59.53 3hdd s THR 27 Cb -0.11 -3.25 -0.16 0.00 1.34 0.00 0.00 72.50 70.32 3hdd s THR 27 CO 0.03 -0.12 1.68 -0.08 -0.54 0.00 0.00 174.62 175.59 3hdd h GLU 28 N 0.62 -0.16 -0.80 3.99 4.81 -1.99 -1.37 114.58 119.68 3hdd h GLU 28 Ca -0.44 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.85 3hdd h GLU 28 Cb 1.27 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.63 3hdd h GLU 28 CO 0.51 -0.08 0.50 -0.09 -0.73 0.00 0.00 179.01 179.13 3hdd h ARG 29 N -0.21 0.93 -0.67 1.92 2.43 -1.99 -0.88 114.38 115.91 3hdd h ARG 29 Ca -0.02 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3hdd h ARG 29 Cb 0.16 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3hdd h ARG 29 CO 0.03 0.61 0.43 -0.09 -1.51 0.00 0.00 179.97 179.44 3hdd h ARG 30 N 0.96 0.84 -0.40 0.20 9.65 -1.91 -0.80 114.38 122.91 3hdd h ARG 30 Ca 0.33 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.12 3hdd h ARG 30 Cb 0.06 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.44 3hdd h ARG 30 CO -0.13 0.55 0.12 -0.09 2.80 0.00 0.00 179.97 183.22 3hdd h ARG 31 N 0.86 0.62 -1.00 0.20 2.43 -0.63 -1.92 114.38 114.94 3hdd h ARG 31 Ca 0.26 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3hdd h ARG 31 Cb -0.04 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.36 3hdd h ARG 31 CO -0.08 0.63 0.66 1.96 -1.51 0.00 0.00 179.97 181.62 3hdd h GLN 32 N 0.50 1.21 -0.39 0.20 4.20 -0.64 -1.43 115.11 118.75 3hdd h GLN 32 Ca 0.13 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3hdd h GLN 32 Cb 0.27 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3hdd h GLN 32 CO -0.00 0.80 0.03 1.96 -0.67 0.00 0.00 178.83 180.95 3hdd h GLN 33 N 1.25 0.67 0.00 1.46 4.20 -0.80 -2.48 115.11 119.42 3hdd h GLN 33 Ca 0.41 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 3hdd h GLN 33 Cb 0.04 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 3hdd h GLN 33 CO -0.14 0.75 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.55 3hdd h LEU 34 N 0.51 0.00 0.12 1.46 3.38 -1.01 -2.48 115.31 117.28 3hdd h LEU 34 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hdd h LEU 34 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hdd h LEU 34 CO 0.01 0.15 -0.06 -1.28 0.09 0.00 0.00 178.44 177.36 3hdd h SER 35 N 0.00 -0.13 0.99 -0.43 0.87 -0.82 -1.75 113.55 112.28 3hdd h SER 35 Ca -0.00 -0.39 -0.09 0.00 -1.23 0.00 0.00 61.79 60.08 3hdd h SER 35 Cb 0.50 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3hdd h SER 35 CO 0.02 0.35 -0.45 0.77 -0.53 0.00 0.00 176.83 177.00 3hdd h SER 36 N -0.66 0.00 0.15 6.23 4.64 -1.49 -1.15 113.55 121.28 3hdd h SER 36 Ca -0.02 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.01 3hdd h SER 36 Cb 0.51 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.62 3hdd h SER 36 CO 0.03 0.45 -1.20 -0.08 -0.87 0.00 0.00 176.83 175.15 3hdd h GLU 37 N 0.00 0.60 0.00 4.77 4.81 -1.52 -3.35 114.58 119.89 3hdd h GLU 37 Ca -0.00 -0.78 0.00 0.00 -0.13 0.00 0.00 59.36 58.45 3hdd h GLU 37 Cb 1.06 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3hdd h GLU 37 CO 0.06 1.35 -1.31 1.28 -0.73 0.00 0.00 179.01 179.65 3hdd n LEU 38 N -3.78 0.52 -0.90 1.64 4.77 -0.66 -4.99 117.00 113.60 3hdd n LEU 38 Ca -0.13 0.10 -0.04 0.00 -0.03 0.00 0.00 56.01 55.91 3hdd n LEU 38 Cb 0.97 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 42.01 3hdd n LEU 38 CO 0.57 -0.05 0.02 0.61 -1.33 0.00 0.00 177.39 177.22 3hdd n GLY 39 N 1.27 0.61 3.31 -0.72 0.00 -0.47 -4.98 105.19 104.21 3hdd n GLY 39 Ca -0.01 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 3hdd n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hdd s LEU 40 N -1.85 2.24 0.30 0.99 1.43 -0.97 -5.06 118.68 115.75 3hdd s LEU 40 Ca 0.08 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.26 3hdd s LEU 40 Cb -0.03 -1.07 -0.10 0.00 0.03 0.00 0.00 46.19 45.01 3hdd s LEU 40 CO 0.10 0.16 1.30 0.21 0.23 0.00 0.00 176.35 178.35 3hdd s ASN 41 N -1.58 6.83 0.36 2.29 3.84 -1.26 -4.52 114.94 120.89 3hdd s ASN 41 Ca 0.10 2.60 0.12 0.00 0.21 0.00 0.00 52.86 55.88 3hdd s ASN 41 Cb -0.10 -2.64 0.91 0.00 -0.55 0.00 0.00 41.25 38.88 3hdd s ASN 41 CO 0.03 -0.51 1.80 -0.33 -2.79 0.00 0.00 177.10 175.31 3hdd h GLU 42 N 3.90 0.57 -0.32 0.43 5.08 -1.92 -1.03 114.58 121.29 3hdd h GLU 42 Ca -0.48 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 3hdd h GLU 42 Cb 1.22 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 3hdd h GLU 42 CO 0.69 0.38 -0.00 0.00 -1.00 0.00 0.00 179.01 179.07 3hdd h ALA 43 N 1.63 1.40 -0.23 3.43 0.00 -1.99 -0.33 119.26 123.18 3hdd h ALA 43 Ca 0.54 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 3hdd h ALA 43 Cb 1.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3hdd h ALA 43 CO -0.30 0.42 -0.47 1.96 0.00 0.00 0.00 179.25 180.86 3hdd h GLN 44 N 0.47 0.59 -0.32 0.00 1.08 -1.56 -1.42 115.11 113.96 3hdd h GLN 44 Ca 0.10 -0.34 -0.14 0.00 -1.45 0.00 0.00 58.65 56.83 3hdd h GLN 44 Cb 0.32 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3hdd h GLN 44 CO 0.01 0.94 -0.35 0.82 -0.95 0.00 0.00 178.83 179.30 3hdd h ILE 45 N 0.47 1.29 -0.60 2.54 2.04 -1.24 -1.39 117.51 120.63 3hdd h ILE 45 Ca 0.03 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 3hdd h ILE 45 Cb 1.00 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 3hdd h ILE 45 CO 0.09 0.49 0.33 0.50 0.00 0.00 0.00 178.15 179.57 3hdd h LYS 46 N 0.56 0.83 -0.14 2.37 3.64 -0.96 -2.11 116.57 120.77 3hdd h LYS 46 Ca 0.05 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 3hdd h LYS 46 Cb 0.93 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 3hdd h LYS 46 CO 0.08 0.63 -0.53 0.82 -2.27 0.00 0.00 179.45 178.18 3hdd h ILE 47 N 0.81 1.34 -0.62 2.00 2.04 -1.23 -2.68 117.51 119.17 3hdd h ILE 47 Ca 0.21 -1.79 -0.07 0.00 1.00 0.00 0.00 64.86 64.21 3hdd h ILE 47 Cb 0.03 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3hdd h ILE 47 CO -0.04 0.54 0.12 -0.25 0.00 0.00 0.00 178.15 178.53 3hdd h TRP 48 N 0.32 1.05 -0.35 1.37 7.01 -0.85 -2.16 115.95 122.33 3hdd h TRP 48 Ca 0.01 -0.13 -0.15 0.00 2.11 0.00 0.00 58.89 60.73 3hdd h TRP 48 Cb 1.04 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 3hdd h TRP 48 CO 0.03 0.88 -0.39 0.74 -2.79 0.00 0.00 178.44 176.91 3hdd h PHE 49 N 0.95 1.03 0.13 2.65 -1.00 -1.31 -1.63 116.94 117.75 3hdd h PHE 49 Ca 0.19 -0.31 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 3hdd h PHE 49 Cb 0.39 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.73 3hdd h PHE 49 CO 0.03 1.11 -0.07 1.96 -1.61 0.00 0.00 178.31 179.73 3hdd h GLN 50 N 0.70 -0.17 -0.77 1.51 4.20 -1.20 -1.46 115.11 117.92 3hdd h GLN 50 Ca 0.06 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3hdd h GLN 50 Cb 0.97 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 3hdd h GLN 50 CO 0.09 -0.12 0.30 -0.91 -0.67 0.00 0.00 178.83 177.53 3hdd h ASN 51 N -0.18 1.07 -0.24 1.46 2.35 -1.40 -1.72 115.58 116.92 3hdd h ASN 51 Ca -0.02 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.48 3hdd h ASN 51 Cb 0.14 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3hdd h ASN 51 CO 0.02 0.95 -0.11 0.11 -1.65 0.00 0.00 177.43 176.75 3hdd h LYS 52 N 1.13 0.64 -0.30 0.81 1.79 -1.15 -1.77 116.57 117.72 3hdd h LYS 52 Ca 0.26 -0.20 -0.13 0.00 -2.18 0.00 0.00 60.65 58.40 3hdd h LYS 52 Cb 0.23 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3hdd h LYS 52 CO -0.02 0.74 -0.33 0.00 -1.08 0.00 0.00 179.45 178.76 3hdd h ARG 53 N 0.58 0.65 -0.13 3.15 3.08 -0.93 -2.60 114.38 118.19 3hdd h ARG 53 Ca 0.10 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 3hdd h ARG 53 Cb 0.54 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3hdd h ARG 53 CO 0.03 0.89 -0.40 0.00 -1.07 0.00 0.00 179.97 179.43 3hdd h ALA 54 N 1.09 1.09 -0.01 0.04 0.00 -0.89 -2.67 119.26 117.90 3hdd h ALA 54 Ca 0.06 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 3hdd h ALA 54 Cb 0.83 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hdd h ALA 54 CO 0.07 0.59 -0.89 0.87 0.00 0.00 0.00 179.25 179.89 3hdd h LYS 55 N 0.24 0.34 -0.36 0.00 1.57 -1.23 -3.22 116.57 113.92 3hdd h LYS 55 Ca 0.02 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3hdd h LYS 55 Cb 0.81 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3hdd h LYS 55 CO 0.06 1.03 0.21 0.82 -0.57 0.00 0.00 179.45 181.00 3hdd h ILE 56 N 0.20 1.13 -0.67 1.86 1.08 -1.31 -2.85 117.51 116.94 3hdd h ILE 56 Ca -0.06 -0.31 0.03 0.00 -0.39 0.00 0.00 64.86 64.13 3hdd h ILE 56 Cb 1.51 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 35.90 3hdd h ILE 56 CO 0.15 0.13 0.42 0.07 -0.69 0.00 0.00 178.15 178.23 3hdd h LYS 57 N 0.46 0.80 0.00 2.37 -0.00 -1.53 -3.52 116.57 115.15 3hdd h LYS 57 Ca 0.13 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.73 3hdd h LYS 57 Cb 0.02 -0.18 0.00 0.00 -0.00 0.00 0.00 32.23 32.07 3hdd h LYS 57 CO -0.02 0.53 0.00 1.63 -0.00 0.00 0.00 179.45 181.59