#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hyi h LYS 2 N 0.00 0.69 0.00 -0.14 1.57 -2.04 -3.46 116.57 113.19 1hyi h LYS 2 Ca 0.00 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1hyi h LYS 2 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1hyi h LYS 2 CO 0.00 0.99 0.00 0.91 -0.57 0.00 0.00 179.45 180.78 1hyi n TRP 3 N -4.26 0.00 -0.11 -1.35 7.02 -1.26 -4.96 117.44 112.52 1hyi n TRP 3 Ca -0.04 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.31 1hyi n TRP 3 Cb 0.48 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.34 1hyi n TRP 3 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1hyi h ALA 4 N 1.00 0.49 -0.92 6.99 0.00 -1.89 -3.46 119.26 121.47 1hyi h ALA 4 Ca 0.00 -0.41 -0.38 0.00 0.00 0.00 0.00 54.91 54.12 1hyi h ALA 4 Cb 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 17.53 1hyi h ALA 4 CO 0.00 0.52 -0.34 -1.91 0.00 0.00 0.00 179.25 177.52 1hyi n GLU 5 N -4.20 -1.51 -2.21 0.00 2.13 -1.26 -2.41 120.64 111.17 1hyi n GLU 5 Ca -0.03 1.14 -0.02 0.00 0.66 0.00 0.00 57.16 58.91 1hyi n GLU 5 Cb 0.48 -5.53 -0.00 0.00 0.27 0.00 0.00 31.44 26.66 1hyi n GLU 5 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1hyi n ASP 6 N -1.30 -1.37 0.22 4.31 8.00 -1.26 -4.64 116.55 120.51 1hyi n ASP 6 Ca -0.18 0.37 0.06 0.00 0.71 0.00 0.00 54.79 55.74 1hyi n ASP 6 Cb 0.66 -1.35 0.50 0.00 -0.02 0.00 0.00 41.12 40.90 1hyi n ASP 6 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1hyi h ASN 7 N 0.00 0.00 0.00 -2.24 -1.24 -1.86 -3.40 115.58 106.84 1hyi h ASN 7 Ca -0.05 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 1hyi h ASN 7 Cb 0.87 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.90 1hyi h ASN 7 CO 0.07 0.22 -0.03 -1.84 -1.29 0.00 0.00 177.43 174.56 1hyi n GLU 8 N -4.18 0.09 -2.92 6.67 -0.00 -1.26 -5.04 120.64 114.00 1hyi n GLU 8 Ca -0.02 -0.12 -0.29 0.00 -0.00 0.00 0.00 57.16 56.73 1hyi n GLU 8 Cb 0.28 0.23 -0.03 0.00 -0.00 0.00 0.00 31.44 31.92 1hyi n GLU 8 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1hyi n VAL 9 N -0.10 3.44 -1.14 3.84 3.14 -1.26 -4.91 118.33 121.35 1hyi n VAL 9 Ca -0.02 -5.63 -0.19 0.00 -2.96 0.00 0.00 64.34 55.53 1hyi n VAL 9 Cb 0.44 -1.44 -0.13 0.00 -1.06 0.00 0.00 33.84 31.65 1hyi n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hyi n GLN 10 N -0.18 2.44 -3.41 1.45 1.13 -1.26 -4.69 117.38 112.86 1hyi n GLN 10 Ca 0.33 -1.44 0.01 0.00 -1.94 0.00 0.00 57.00 53.96 1hyi n GLN 10 Cb 0.37 -2.18 -0.04 0.00 0.11 0.00 0.00 30.24 28.50 1hyi n GLN 10 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1hyi s ASN 11 N 1.80 -0.58 0.83 1.08 3.04 -1.26 -3.27 114.94 116.59 1hyi s ASN 11 Ca 0.66 0.79 -0.15 0.00 0.04 0.00 0.00 52.86 54.20 1hyi s ASN 11 Cb 0.30 1.65 -0.05 0.00 -1.54 0.00 0.00 41.25 41.61 1hyi s ASN 11 CO -0.04 -0.11 0.17 0.00 -3.04 0.00 0.00 177.10 174.08 1hyi n MET 13 N -0.21 0.73 0.00 0.00 1.56 0.72 -3.40 117.12 116.52 1hyi n MET 13 Ca 0.06 0.25 0.00 0.00 -0.27 0.00 0.00 57.70 57.74 1hyi n MET 13 Cb 0.52 -1.70 0.00 0.00 2.15 0.00 0.00 33.22 34.19 1hyi n MET 13 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1hyi n ALA 14 N -2.95 0.00 -0.01 -5.12 0.00 -1.25 -3.86 120.51 107.32 1hyi n ALA 14 Ca -0.31 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.36 1hyi n ALA 14 Cb 1.05 0.00 0.62 0.00 0.00 0.00 0.00 19.45 21.12 1hyi n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hyi n GLY 16 N -1.56 -0.13 3.75 0.00 0.00 -1.22 -4.99 105.19 101.04 1hyi n GLY 16 Ca 0.13 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1hyi n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hyi s LYS 17 N -5.63 4.26 -0.54 1.61 0.00 -1.26 -4.77 119.74 113.41 1hyi s LYS 17 Ca 0.31 0.45 -0.26 0.00 0.00 0.00 0.00 55.97 56.47 1hyi s LYS 17 Cb -0.14 -3.39 -0.04 0.00 0.00 0.00 0.00 37.83 34.26 1hyi s LYS 17 CO 0.38 0.28 2.12 0.20 0.00 0.00 0.00 175.35 178.33 1hyi s GLY 18 N 0.22 -0.07 -0.32 0.59 0.00 -1.26 -2.34 107.32 104.14 1hyi s GLY 18 Ca 0.25 -0.29 -0.37 0.00 0.00 0.00 0.00 44.72 44.32 1hyi s GLY 18 CO 0.11 3.75 1.21 0.69 0.00 0.00 0.00 173.10 178.86 1hyi n PHE 19 N 14.10 1.24 -0.81 1.90 3.72 -1.20 -4.91 117.46 131.50 1hyi n PHE 19 Ca 0.28 0.91 0.00 0.00 -0.05 0.00 0.00 57.45 58.59 1hyi n PHE 19 Cb 0.53 -1.78 0.00 0.00 -0.94 0.00 0.00 39.48 37.29 1hyi n PHE 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1hyi n SER 20 N 2.83 0.00 0.02 4.37 2.88 -1.08 -4.96 113.62 117.68 1hyi n SER 20 Ca 0.23 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.65 1hyi n SER 20 Cb -0.03 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.30 1hyi n SER 20 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1hyi h VAL 21 N 0.00 1.05 0.00 2.46 2.07 -2.01 -3.35 116.25 116.47 1hyi h VAL 21 Ca 0.00 -2.81 -0.10 0.00 0.82 0.00 0.00 66.70 64.61 1hyi h VAL 21 Cb 0.00 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1hyi h VAL 21 CO 0.00 0.70 -0.64 0.00 0.02 0.00 0.00 177.57 177.65 1hyi h THR 22 N 0.03 0.70 -3.31 2.57 1.03 -1.98 -3.44 112.91 108.50 1hyi h THR 22 Ca -0.24 -2.03 -0.68 0.00 -0.01 0.00 0.00 66.41 63.45 1hyi h THR 22 Cb 1.97 2.29 -0.33 0.00 -1.07 0.00 0.00 68.15 71.01 1hyi h THR 22 CO 0.11 0.40 -0.88 -0.69 -0.01 0.00 0.00 175.52 174.45 1hyi s VAL 23 N -2.99 2.05 0.74 0.00 1.01 -1.26 -5.08 120.40 114.87 1hyi s VAL 23 Ca 0.03 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1hyi s VAL 23 Cb 0.08 -1.78 0.16 0.00 0.00 0.00 0.00 36.38 34.83 1hyi s VAL 23 CO 0.75 0.56 1.01 0.54 0.00 0.00 0.00 175.10 177.96 1hyi n ARG 24 N 3.66 -0.41 -3.90 2.72 1.74 -1.26 -2.64 116.66 116.58 1hyi n ARG 24 Ca -0.19 -2.29 -0.36 0.00 -0.77 0.00 0.00 57.85 54.24 1hyi n ARG 24 Cb 0.53 -0.81 -0.12 0.00 -1.02 0.00 0.00 32.46 31.04 1hyi n ARG 24 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1hyi s ARG 25 N -5.12 3.78 0.17 5.56 3.00 -1.26 -3.93 118.95 121.15 1hyi s ARG 25 Ca 0.63 -0.43 0.03 0.00 -1.00 0.00 0.00 55.73 54.96 1hyi s ARG 25 Cb -0.03 -3.27 -0.05 0.00 0.00 0.00 0.00 34.95 31.61 1hyi s ARG 25 CO 0.43 0.00 -0.04 -1.01 0.00 0.00 0.00 175.30 174.68 1hyi s HIS 26 N 1.10 1.28 0.10 5.12 3.76 -0.38 -4.94 115.29 121.33 1hyi s HIS 26 Ca 0.04 -0.89 -0.12 0.00 -0.15 0.00 0.00 55.06 53.94 1hyi s HIS 26 Cb -0.14 -0.71 0.01 0.00 1.11 0.00 0.00 32.58 32.85 1hyi s HIS 26 CO 0.03 -0.06 0.27 -3.38 -0.85 0.00 0.00 174.74 170.75 1hyi s HIS 27 N -3.48 0.02 -0.32 1.40 -3.43 -1.25 0.23 115.29 108.45 1hyi s HIS 27 Ca 0.21 -0.40 -0.26 0.00 -0.80 0.00 0.00 55.06 53.81 1hyi s HIS 27 Cb 0.05 0.07 0.01 0.00 -1.43 0.00 0.00 32.58 31.27 1hyi s HIS 27 CO 0.03 -0.61 0.91 0.00 -2.00 0.00 0.00 174.74 173.07 1hyi n ARG 29 N 6.52 0.07 0.00 0.00 1.74 -1.24 -1.58 116.66 122.16 1hyi n ARG 29 Ca 0.07 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1hyi n ARG 29 Cb 0.48 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1hyi n ARG 29 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1hyi n GLN 30 N -1.77 0.00 -0.05 5.56 6.02 -1.26 -4.52 117.38 121.36 1hyi n GLN 30 Ca 0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.03 1hyi n GLN 30 Cb 0.18 -0.21 0.34 0.00 1.02 0.00 0.00 30.24 31.57 1hyi n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hyi n GLY 32 N -1.26 0.57 3.64 0.00 0.00 -0.62 -5.08 105.19 102.44 1hyi n GLY 32 Ca 0.04 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1hyi n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hyi s ASN 33 N -1.19 4.39 -0.26 1.61 0.02 -1.18 -4.73 114.94 113.60 1hyi s ASN 33 Ca 0.00 -0.80 -0.08 0.00 -1.02 0.00 0.00 52.86 50.97 1hyi s ASN 33 Cb 0.00 -0.69 -0.02 0.00 0.02 0.00 0.00 41.25 40.56 1hyi s ASN 33 CO 0.00 -0.12 0.09 -0.63 0.02 0.00 0.00 177.10 176.46 1hyi s ILE 34 N -2.41 4.34 0.07 0.60 -1.09 -1.26 0.11 121.20 121.56 1hyi s ILE 34 Ca 0.33 -0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.57 1hyi s ILE 34 Cb -0.04 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1hyi s ILE 34 CO 0.20 0.27 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.64 1hyi s PHE 35 N 1.61 1.60 0.59 3.97 0.08 0.62 0.26 117.98 126.71 1hyi s PHE 35 Ca 0.06 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 56.57 1hyi s PHE 35 Cb -0.16 -0.91 -0.05 0.00 -0.57 0.00 0.00 43.02 41.34 1hyi s PHE 35 CO 0.04 0.13 1.02 0.00 -0.10 0.00 0.00 175.22 176.30 1hyi h ALA 37 N 0.09 3.17 0.09 0.00 0.00 -1.91 1.45 119.26 122.15 1hyi h ALA 37 Ca -0.45 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.15 1hyi h ALA 37 Cb 1.19 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1hyi h ALA 37 CO 0.61 -1.86 -1.14 1.49 0.00 0.00 0.00 179.25 178.36 1hyi h GLU 38 N 0.00 0.38 0.09 0.00 4.22 -1.93 -2.30 114.58 115.04 1hyi h GLU 38 Ca 0.60 -0.52 -0.20 0.00 0.08 0.00 0.00 59.36 59.31 1hyi h GLU 38 Cb 3.01 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 32.44 1hyi h GLU 38 CO -0.01 1.21 -1.00 0.00 -2.18 0.00 0.00 179.01 177.03 1hyi n SER 40 N -4.16 3.36 -2.88 0.00 2.88 0.23 -3.81 113.62 109.24 1hyi n SER 40 Ca -0.21 -2.66 -0.24 0.00 -1.33 0.00 0.00 58.87 54.44 1hyi n SER 40 Cb 0.78 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.54 1hyi n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hyi n ALA 41 N -0.06 5.93 -3.38 -1.46 0.00 -0.86 -4.70 120.51 115.97 1hyi n ALA 41 Ca 0.23 -2.37 -0.12 0.00 0.00 0.00 0.00 53.44 51.18 1hyi n ALA 41 Cb 0.93 -2.91 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 1hyi n ALA 41 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1hyi s LYS 42 N 2.33 1.25 -0.19 0.00 1.02 -1.26 -5.00 119.74 117.88 1hyi s LYS 42 Ca 0.55 -0.47 -0.12 0.00 0.02 0.00 0.00 55.97 55.94 1hyi s LYS 42 Cb 0.18 0.57 0.06 0.00 -0.52 0.00 0.00 37.83 38.12 1hyi s LYS 42 CO -0.03 -0.54 0.48 -0.80 -0.92 0.00 0.00 175.35 173.54 1hyi s ASN 43 N -2.70 -0.59 0.13 2.83 -0.87 -1.26 -2.96 114.94 109.51 1hyi s ASN 43 Ca 0.01 1.03 0.10 0.00 -1.57 0.00 0.00 52.86 52.43 1hyi s ASN 43 Cb -0.01 0.94 -0.04 0.00 -0.02 0.00 0.00 41.25 42.12 1hyi s ASN 43 CO -0.12 -0.20 -0.24 0.00 -2.57 0.00 0.00 177.10 173.98 1hyi s ALA 44 N 1.15 2.50 -0.17 0.60 0.00 -0.76 -4.88 121.76 120.20 1hyi s ALA 44 Ca -0.07 -1.45 -0.09 0.00 0.00 0.00 0.00 51.96 50.35 1hyi s ALA 44 Cb -0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1hyi s ALA 44 CO -0.11 0.55 0.15 -1.17 0.00 0.00 0.00 175.76 175.18 1hyi s LEU 45 N -2.16 4.27 -0.05 0.00 0.20 -1.26 -0.46 118.68 119.22 1hyi s LEU 45 Ca 0.16 0.32 0.01 0.00 0.69 0.00 0.00 54.13 55.31 1hyi s LEU 45 Cb -0.10 -2.11 -0.03 0.00 -0.43 0.00 0.00 46.19 43.52 1hyi s LEU 45 CO 0.08 0.24 -0.04 0.42 -0.29 0.00 0.00 176.35 176.75 1hyi s THR 46 N -0.04 3.88 -1.49 3.68 -4.23 -1.19 -4.91 115.64 111.34 1hyi s THR 46 Ca 0.11 -0.48 0.16 0.00 -1.18 0.00 0.00 61.69 60.30 1hyi s THR 46 Cb -0.11 -2.63 0.31 0.00 1.34 0.00 0.00 72.50 71.40 1hyi s THR 46 CO 0.00 0.54 1.46 -0.81 -0.54 0.00 0.00 174.62 175.28 1hyi n PRO 47 N 2.01 0.26 0.02 3.99 -0.04 -1.26 -1.04 135.00 138.94 1hyi n PRO 47 Ca -0.17 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.29 1hyi n PRO 47 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1hyi n PRO 47 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1hyi h SER 48 N 0.00 0.05 0.00 3.54 0.87 -1.96 -3.34 113.55 112.71 1hyi h SER 48 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1hyi h SER 48 Cb 0.14 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1hyi h SER 48 CO 0.00 0.06 0.00 -1.20 -0.53 0.00 0.00 176.83 175.16 1hyi n SER 49 N -5.05 0.83 -3.62 6.23 7.64 -1.19 -5.01 113.62 113.45 1hyi n SER 49 Ca -0.06 -1.40 -0.23 0.00 1.01 0.00 0.00 58.87 58.19 1hyi n SER 49 Cb 0.04 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.31 1hyi n SER 49 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1hyi n LYS 50 N -0.20 -6.97 -3.99 1.43 5.02 -0.21 -4.99 118.16 108.25 1hyi n LYS 50 Ca 0.00 0.78 -0.16 0.00 -2.02 0.00 0.00 58.31 56.91 1hyi n LYS 50 Cb 0.37 -5.75 -0.15 0.00 -0.02 0.00 0.00 35.03 29.47 1hyi n LYS 50 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1hyi s LYS 51 N -6.10 0.30 -0.34 1.97 -0.14 -1.22 -4.94 119.74 109.27 1hyi s LYS 51 Ca 0.40 -0.02 -0.29 0.00 -1.36 0.00 0.00 55.97 54.71 1hyi s LYS 51 Cb -0.18 -0.39 -0.00 0.00 -1.68 0.00 0.00 37.83 35.58 1hyi s LYS 51 CO 0.75 -0.04 1.47 -1.25 -0.76 0.00 0.00 175.35 175.52 1hyi s PRO 52 N 0.52 3.68 0.17 -1.68 0.04 -1.26 -3.17 135.00 133.30 1hyi s PRO 52 Ca -0.05 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.24 1hyi s PRO 52 Cb -0.08 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 1hyi s PRO 52 CO -0.01 -1.43 0.27 0.14 0.04 0.00 0.00 177.00 176.01 1hyi s VAL 53 N 5.29 5.15 0.49 -0.36 -7.23 0.39 -4.84 120.40 119.31 1hyi s VAL 53 Ca 0.64 -0.83 -0.21 0.00 -1.81 0.00 0.00 61.98 59.78 1hyi s VAL 53 Cb -0.18 -3.68 -0.07 0.00 0.56 0.00 0.00 36.38 33.01 1hyi s VAL 53 CO 0.30 -0.15 1.11 -0.60 -0.31 0.00 0.00 175.10 175.45 1hyi s ARG 54 N -3.37 3.64 -0.29 4.82 3.52 -1.26 -1.83 118.95 124.17 1hyi s ARG 54 Ca 0.34 1.60 -0.17 0.00 -0.13 0.00 0.00 55.73 57.37 1hyi s ARG 54 Cb -0.10 -2.19 0.15 0.00 -1.56 0.00 0.00 34.95 31.25 1hyi s ARG 54 CO 0.28 -0.61 1.01 0.14 -0.81 0.00 0.00 175.30 175.30 1hyi s VAL 55 N -1.74 0.00 1.20 7.11 -7.23 -1.16 -3.64 120.40 114.95 1hyi s VAL 55 Ca 0.68 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.70 1hyi s VAL 55 Cb -0.23 -1.00 0.26 0.00 0.56 0.00 0.00 36.38 35.97 1hyi s VAL 55 CO 0.28 0.00 0.75 0.00 -0.31 0.00 0.00 175.10 175.81 1hyi h ASP 57 N -2.66 0.07 0.16 0.00 3.32 -1.94 0.36 116.42 115.73 1hyi h ASP 57 Ca -0.60 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.44 1hyi h ASP 57 Cb 1.34 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1hyi h ASP 57 CO 0.46 0.04 -0.08 0.00 -1.72 0.00 0.00 179.24 177.94 1hyi h ALA 58 N 1.75 -0.56 -0.44 3.45 0.00 -1.93 -3.07 119.26 118.46 1hyi h ALA 58 Ca 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1hyi h ALA 58 Cb 0.85 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1hyi h ALA 58 CO -0.02 -0.54 0.13 0.00 0.00 0.00 0.00 179.25 178.82 1hyi h PHE 60 N 0.64 0.54 0.14 0.00 3.57 -0.37 0.12 116.94 121.58 1hyi h PHE 60 Ca 0.15 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.39 1hyi h PHE 60 Cb 0.20 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 38.79 1hyi h PHE 60 CO 0.01 0.16 -1.26 -2.95 -2.23 0.00 0.00 178.31 172.03 1hyi h ASN 61 N 0.42 0.49 -0.34 0.41 7.08 -1.23 -3.12 115.58 119.28 1hyi h ASN 61 Ca 0.45 -0.51 -0.00 0.00 -3.08 0.00 0.00 56.30 53.15 1hyi h ASN 61 Cb 1.10 -0.16 -0.02 0.00 -2.08 0.00 0.00 38.32 37.16 1hyi h ASN 61 CO -0.17 1.40 0.21 0.44 -2.08 0.00 0.00 177.43 177.24 1hyi h ASP 62 N 0.09 0.41 -0.22 6.14 5.19 -0.43 -0.22 116.42 127.37 1hyi h ASP 62 Ca -0.15 -0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.16 1hyi h ASP 62 Cb 1.98 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 41.39 1hyi h ASP 62 CO 0.21 0.31 -0.18 -0.07 -3.12 0.00 0.00 179.24 176.39 1hyi h LEU 63 N 0.48 0.55 -0.11 1.55 3.38 -1.20 -2.36 115.31 117.60 1hyi h LEU 63 Ca 0.13 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1hyi h LEU 63 Cb -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1hyi h LEU 63 CO -0.02 0.89 0.00 0.00 0.09 0.00 0.00 178.44 179.39 1hyi n GLN 64 N -4.44 0.03 0.00 1.13 1.13 -0.75 -5.03 117.38 109.45 1hyi n GLN 64 Ca -0.05 0.29 0.14 0.00 -1.94 0.00 0.00 57.00 55.44 1hyi n GLN 64 Cb 0.39 -1.56 0.49 0.00 0.11 0.00 0.00 30.24 29.67 1hyi n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03