#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0t s ASP 2 N 0.00 6.18 -0.05 -1.34 1.11 -1.26 -4.88 116.67 116.43 1h0t s ASP 2 Ca 0.00 -1.13 -0.05 0.00 0.18 0.00 0.00 52.55 51.55 1h0t s ASP 2 Cb 0.00 -2.38 -0.02 0.00 1.07 0.00 0.00 42.92 41.60 1h0t s ASP 2 CO 0.00 -1.32 -0.09 0.59 1.18 0.00 0.00 175.17 175.53 1h0t n ASN 3 N 7.22 0.52 0.00 0.27 3.02 -1.26 -5.00 115.26 120.03 1h0t n ASN 3 Ca -0.06 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1h0t n ASN 3 Cb 0.44 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1h0t n ASN 3 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1h0t n LYS 4 N -3.02 0.00 0.25 3.52 2.85 -1.26 -4.90 118.16 115.60 1h0t n LYS 4 Ca -0.04 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.33 1h0t n LYS 4 Cb 0.13 -0.11 0.66 0.00 -0.65 0.00 0.00 35.03 35.06 1h0t n LYS 4 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1h0t h PHE 5 N 0.00 0.00 0.16 5.58 0.04 -1.96 -2.68 116.94 118.08 1h0t h PHE 5 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1h0t h PHE 5 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1h0t h PHE 5 CO 0.00 0.15 -0.20 -0.91 -0.60 0.00 0.00 178.31 176.75 1h0t h ASN 6 N 0.00 -0.55 0.26 2.17 2.35 -1.90 0.33 115.58 118.24 1h0t h ASN 6 Ca -0.00 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1h0t h ASN 6 Cb 0.34 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1h0t h ASN 6 CO 0.02 -0.25 -0.28 0.50 -1.65 0.00 0.00 177.43 175.77 1h0t h LYS 7 N -0.36 0.03 -0.56 0.81 1.63 -1.94 -2.27 116.57 113.90 1h0t h LYS 7 Ca -0.02 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1h0t h LYS 7 Cb 0.33 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 1h0t h LYS 7 CO -0.05 0.31 0.29 0.93 -3.45 0.00 0.00 179.45 177.48 1h0t h GLU 8 N 0.03 0.80 -0.18 1.90 5.08 -1.18 0.72 114.58 121.75 1h0t h GLU 8 Ca 0.00 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1h0t h GLU 8 Cb 0.51 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1h0t h GLU 8 CO 0.04 0.64 -0.01 1.96 -1.00 0.00 0.00 179.01 180.63 1h0t h GLN 9 N 0.76 0.33 -0.19 2.33 4.20 -0.02 0.21 115.11 122.73 1h0t h GLN 9 Ca 0.20 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1h0t h GLN 9 Cb 0.09 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1h0t h GLN 9 CO -0.03 0.56 -0.22 -0.56 -0.67 0.00 0.00 178.83 177.91 1h0t h GLN 10 N 0.07 0.35 -0.21 1.46 -0.00 -1.15 1.42 115.11 117.06 1h0t h GLN 10 Ca 0.05 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 1h0t h GLN 10 Cb 0.42 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.86 1h0t h GLN 10 CO 0.01 0.55 0.06 -0.91 -0.00 0.00 0.00 178.83 178.54 1h0t h ASN 11 N 0.31 0.30 -0.24 0.06 4.21 0.73 0.40 115.58 121.36 1h0t h ASN 11 Ca 0.05 -0.21 -0.08 0.00 1.21 0.00 0.00 56.30 57.27 1h0t h ASN 11 Cb 0.56 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1h0t h ASN 11 CO 0.04 0.44 -0.18 0.00 -1.29 0.00 0.00 177.43 176.44 1h0t h ALA 12 N 0.88 0.34 0.33 -0.83 0.00 -0.20 -1.04 119.26 118.74 1h0t h ALA 12 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1h0t h ALA 12 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1h0t h ALA 12 CO -0.00 0.26 -0.37 0.35 0.00 0.00 0.00 179.25 179.48 1h0t h PHE 13 N 0.25 -1.02 -0.05 0.00 3.57 0.21 0.40 116.94 120.30 1h0t h PHE 13 Ca 0.05 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1h0t h PHE 13 Cb 0.71 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 1h0t h PHE 13 CO 0.07 -0.51 -0.21 -0.92 -2.23 0.00 0.00 178.31 174.51 1h0t h TYR 14 N -0.74 -0.56 -0.82 0.41 3.20 -0.21 0.25 116.97 118.50 1h0t h TYR 14 Ca -0.02 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1h0t h TYR 14 Cb 0.68 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 1h0t h TYR 14 CO -0.23 -0.29 0.54 0.93 -1.64 0.00 0.00 178.16 177.46 1h0t h GLU 15 N -0.31 1.05 -0.40 1.82 4.39 -0.91 0.66 114.58 120.88 1h0t h GLU 15 Ca 0.08 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1h0t h GLU 15 Cb 0.41 -0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1h0t h GLU 15 CO -0.23 0.69 0.11 0.82 -1.16 0.00 0.00 179.01 179.24 1h0t h ILE 16 N 1.08 0.83 -0.45 3.13 2.04 0.51 0.45 117.51 125.10 1h0t h ILE 16 Ca 0.31 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.97 1h0t h ILE 16 Cb -0.08 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1h0t h ILE 16 CO -0.08 0.05 -0.18 -0.07 0.00 0.00 0.00 178.15 177.87 1h0t h LEU 17 N 0.25 0.89 -0.87 1.44 3.38 -0.04 -3.17 115.31 117.19 1h0t h LEU 17 Ca 0.19 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1h0t h LEU 17 Cb 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1h0t h LEU 17 CO -0.22 1.06 0.00 1.41 0.09 0.00 0.00 178.44 180.77 1h0t n HIS 18 N -4.13 0.04 -2.14 1.13 8.25 0.22 -4.91 115.22 113.69 1h0t n HIS 18 Ca 0.01 -0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1h0t n HIS 18 Cb 0.42 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 1h0t n HIS 18 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1h0t s LEU 19 N -1.91 4.34 0.62 2.41 1.43 0.15 -4.91 118.68 120.82 1h0t s LEU 19 Ca 0.38 2.26 0.39 0.00 -1.03 0.00 0.00 54.13 56.13 1h0t s LEU 19 Cb 0.20 -3.57 1.99 0.00 0.03 0.00 0.00 46.19 44.84 1h0t s LEU 19 CO 0.32 -0.74 2.22 1.55 0.23 0.00 0.00 176.35 179.93 1h0t h PRO 20 N 7.67 0.00 -0.16 1.29 0.13 -1.91 -2.97 132.00 136.05 1h0t h PRO 20 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1h0t h PRO 20 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1h0t h PRO 20 CO 0.90 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 1h0t n ASN 21 N -3.17 2.37 -4.79 1.44 3.02 -1.26 -5.00 115.26 107.86 1h0t n ASN 21 Ca -0.02 -1.90 -0.39 0.00 -0.03 0.00 0.00 54.58 52.24 1h0t n ASN 21 Cb 0.16 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 1h0t n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h0t s LEU 22 N -0.93 4.52 0.00 3.41 1.43 -1.12 -4.72 118.68 121.26 1h0t s LEU 22 Ca 0.12 1.33 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 1h0t s LEU 22 Cb 0.06 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.34 1h0t s LEU 22 CO 0.08 0.22 0.43 -0.46 0.23 0.00 0.00 176.35 176.85 1h0t n ASN 23 N 1.93 1.73 -0.15 2.29 0.23 -1.26 -4.82 115.26 115.22 1h0t n ASN 23 Ca -0.08 -2.13 -0.02 0.00 -0.53 0.00 0.00 54.58 51.82 1h0t n ASN 23 Cb 0.50 -0.18 0.20 0.00 -2.08 0.00 0.00 39.78 38.23 1h0t n ASN 23 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1h0t h GLU 24 N 0.00 0.86 -0.06 -3.83 4.81 -1.97 0.17 114.58 114.56 1h0t h GLU 24 Ca -0.20 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1h0t h GLU 24 Cb 0.84 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1h0t h GLU 24 CO 0.30 0.72 -0.02 1.49 -0.73 0.00 0.00 179.01 180.78 1h0t h GLU 25 N 0.85 0.12 -0.03 1.92 4.81 -1.98 -1.06 114.58 119.21 1h0t h GLU 25 Ca 0.20 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1h0t h GLU 25 Cb 0.20 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1h0t h GLU 25 CO -0.01 0.46 -0.03 1.96 -0.73 0.00 0.00 179.01 180.66 1h0t h GLN 26 N -0.22 0.08 -0.27 1.92 7.50 -1.92 -1.75 115.11 120.44 1h0t h GLN 26 Ca 0.02 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.13 1h0t h GLN 26 Cb 0.42 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.93 1h0t h GLN 26 CO 0.01 0.53 0.18 -0.09 -1.50 0.00 0.00 178.83 177.96 1h0t h ARG 27 N -0.37 0.36 -0.33 1.46 2.43 -0.74 -2.24 114.38 114.95 1h0t h ARG 27 Ca 0.01 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1h0t h ARG 27 Cb 0.52 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1h0t h ARG 27 CO 0.01 0.26 -0.14 -0.97 -1.51 0.00 0.00 179.97 177.61 1h0t h ASN 28 N 0.36 0.70 -0.96 -3.80 -0.73 -1.26 -2.47 115.58 107.43 1h0t h ASN 28 Ca 0.10 -0.40 0.07 0.00 1.87 0.00 0.00 56.30 57.94 1h0t h ASN 28 Cb -0.02 -0.19 -0.07 0.00 0.27 0.00 0.00 38.32 38.31 1h0t h ASN 28 CO -0.02 0.95 0.62 0.00 -0.37 0.00 0.00 177.43 178.60 1h0t h ALA 29 N 0.78 1.48 -0.48 1.57 0.00 -1.25 0.71 119.26 122.07 1h0t h ALA 29 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1h0t h ALA 29 Cb 0.67 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1h0t h ALA 29 CO 0.05 0.36 0.15 0.74 0.00 0.00 0.00 179.25 180.55 1h0t h PHE 30 N 1.08 0.76 0.00 0.00 0.04 -1.25 0.72 116.94 118.29 1h0t h PHE 30 Ca 0.42 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 61.07 1h0t h PHE 30 Cb 0.23 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1h0t h PHE 30 CO -0.00 0.67 -0.24 0.82 -0.60 0.00 0.00 178.31 178.96 1h0t h ILE 31 N 0.64 1.17 -0.09 -0.55 2.04 -0.76 0.73 117.51 120.69 1h0t h ILE 31 Ca 0.15 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 1h0t h ILE 31 Cb 0.26 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1h0t h ILE 31 CO -0.01 0.23 -0.17 1.56 0.00 0.00 0.00 178.15 179.77 1h0t h GLN 32 N 0.00 0.27 0.00 2.37 4.20 0.10 0.18 115.11 122.23 1h0t h GLN 32 Ca -0.00 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 1h0t h GLN 32 Cb 0.42 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1h0t h GLN 32 CO 0.03 0.76 -0.46 0.66 -0.67 0.00 0.00 178.83 179.15 1h0t h SER 33 N -0.19 0.00 0.11 1.46 4.64 -0.53 -2.81 113.55 116.22 1h0t h SER 33 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1h0t h SER 33 Cb 0.75 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1h0t h SER 33 CO 0.04 0.46 -0.72 0.25 -0.87 0.00 0.00 176.83 175.98 1h0t h LEU 34 N 0.00 0.35 -1.15 5.97 5.85 0.51 -0.92 115.31 125.92 1h0t h LEU 34 Ca -0.00 -0.94 -0.07 0.00 0.84 0.00 0.00 57.88 57.71 1h0t h LEU 34 Cb 0.88 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1h0t h LEU 34 CO 0.06 1.34 -0.12 0.11 -0.34 0.00 0.00 178.44 179.49 1h0t h LYS 35 N -0.51 0.45 0.05 1.25 1.57 -0.68 -3.08 116.57 115.62 1h0t h LYS 35 Ca -0.14 -0.12 -0.30 0.00 -1.87 0.00 0.00 60.65 58.22 1h0t h LYS 35 Cb 1.52 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.75 1h0t h LYS 35 CO 0.10 0.57 -1.61 -0.44 -0.57 0.00 0.00 179.45 177.50 1h0t h ASP 36 N 0.42 0.18 -3.67 0.86 3.32 -1.62 -3.43 116.42 112.47 1h0t h ASP 36 Ca 0.08 -0.31 -0.67 0.00 0.02 0.00 0.00 57.03 56.15 1h0t h ASP 36 Cb 0.47 -0.06 -0.39 0.00 0.22 0.00 0.00 39.33 39.58 1h0t h ASP 36 CO 0.03 1.27 -0.70 -0.62 -1.72 0.00 0.00 179.24 177.50 1h0t s ASP 37 N -6.58 4.83 0.17 6.45 -1.08 -0.35 -4.98 116.67 115.13 1h0t s ASP 37 Ca -0.08 -2.03 -0.08 0.00 -0.52 0.00 0.00 52.55 49.84 1h0t s ASP 37 Cb 0.08 -1.66 0.06 0.00 -1.46 0.00 0.00 42.92 39.93 1h0t s ASP 37 CO 0.82 -0.39 1.54 1.55 0.52 0.00 0.00 175.17 179.22 1h0t h PRO 38 N 7.71 0.87 -0.32 4.34 0.13 -1.83 -3.24 132.00 139.67 1h0t h PRO 38 Ca -0.08 -0.41 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1h0t h PRO 38 Cb 1.03 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1h0t h PRO 38 CO 0.55 1.05 -0.15 1.03 -0.23 0.00 0.00 178.00 180.25 1h0t h SER 39 N 0.73 0.55 0.20 1.44 0.87 -1.93 -2.72 113.55 112.69 1h0t h SER 39 Ca 0.08 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1h0t h SER 39 Cb 0.87 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1h0t h SER 39 CO 0.08 0.73 0.00 1.67 -0.53 0.00 0.00 176.83 178.78 1h0t n GLN 40 N -4.17 0.68 -0.09 2.24 7.27 -1.22 -4.27 117.38 117.82 1h0t n GLN 40 Ca 0.01 0.01 -0.06 0.00 0.07 0.00 0.00 57.00 57.03 1h0t n GLN 40 Cb 0.36 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.51 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1h0t h SER 41 N 0.00 -0.48 -0.17 1.69 4.64 -1.54 0.58 113.55 118.28 1h0t h SER 41 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1h0t h SER 41 Cb 0.10 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1h0t h SER 41 CO 0.00 -0.17 0.11 0.00 -0.87 0.00 0.00 176.83 175.89 1h0t h ALA 42 N 1.21 0.21 -0.87 5.18 0.00 -1.82 0.96 119.26 124.14 1h0t h ALA 42 Ca 0.17 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1h0t h ALA 42 Cb 0.33 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1h0t h ALA 42 CO -0.39 -0.31 0.57 -0.91 0.00 0.00 0.00 179.25 178.20 1h0t h ASN 43 N 0.22 0.86 -0.55 0.00 4.21 -1.70 0.34 115.58 118.95 1h0t h ASN 43 Ca 0.06 0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.54 1h0t h ASN 43 Cb -0.01 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 36.99 1h0t h ASN 43 CO -0.02 0.55 0.18 -0.07 -1.29 0.00 0.00 177.43 176.77 1h0t h LEU 44 N 0.97 0.79 -0.15 1.61 3.38 0.12 0.66 115.31 122.69 1h0t h LEU 44 Ca 0.38 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1h0t h LEU 44 Cb 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1h0t h LEU 44 CO -0.14 0.78 -0.04 0.25 0.09 0.00 0.00 178.44 179.39 1h0t h LEU 45 N 0.76 0.30 -0.70 1.67 5.85 0.26 0.23 115.31 123.68 1h0t h LEU 45 Ca 0.18 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.63 1h0t h LEU 45 Cb 0.26 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1h0t h LEU 45 CO -0.01 0.59 0.34 0.00 -0.34 0.00 0.00 178.44 179.02 1h0t h ALA 46 N 0.71 0.97 -0.20 1.25 0.00 0.16 1.15 119.26 123.30 1h0t h ALA 46 Ca 0.04 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1h0t h ALA 46 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1h0t h ALA 46 CO 0.01 -0.08 -0.45 1.05 0.00 0.00 0.00 179.25 179.79 1h0t h GLU 47 N 0.57 0.49 -0.45 0.00 4.11 0.48 0.79 114.58 120.57 1h0t h GLU 47 Ca 0.35 -0.27 -0.09 0.00 0.07 0.00 0.00 59.36 59.42 1h0t h GLU 47 Cb 0.39 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1h0t h GLU 47 CO -0.28 0.85 -0.09 0.00 0.07 0.00 0.00 179.01 179.55 1h0t h ALA 48 N 1.11 0.99 -0.58 1.06 0.00 0.13 0.58 119.26 122.56 1h0t h ALA 48 Ca 0.03 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1h0t h ALA 48 Cb 0.95 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1h0t h ALA 48 CO 0.08 0.60 0.03 0.87 0.00 0.00 0.00 179.25 180.83 1h0t h LYS 49 N 0.73 1.00 -0.82 0.00 1.79 0.18 0.26 116.57 119.71 1h0t h LYS 49 Ca 0.13 -0.31 -0.04 0.00 -2.18 0.00 0.00 60.65 58.25 1h0t h LYS 49 Cb 0.58 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 1h0t h LYS 49 CO 0.04 0.98 0.36 -0.22 -1.08 0.00 0.00 179.45 179.53 1h0t h LYS 50 N 0.89 1.20 -0.16 3.15 3.64 0.11 -2.25 116.57 123.15 1h0t h LYS 50 Ca 0.17 -0.20 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1h0t h LYS 50 Cb 0.51 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1h0t h LYS 50 CO 0.02 0.95 -0.59 -0.07 -2.27 0.00 0.00 179.45 177.49 1h0t h LEU 51 N 1.18 0.59 -0.86 5.20 4.07 0.70 -1.25 115.31 124.94 1h0t h LEU 51 Ca 0.28 -0.33 0.06 0.00 0.08 0.00 0.00 57.88 57.96 1h0t h LEU 51 Cb 0.17 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 1h0t h LEU 51 CO -0.03 1.05 0.54 -1.13 -1.08 0.00 0.00 178.44 177.78 1h0t h ASN 52 N 0.40 0.85 0.27 -0.43 -1.24 0.06 0.30 115.58 115.79 1h0t h ASN 52 Ca -0.00 0.01 -0.34 0.00 0.71 0.00 0.00 56.30 56.68 1h0t h ASN 52 Cb 1.14 -0.17 0.01 0.00 0.73 0.00 0.00 38.32 40.03 1h0t h ASN 52 CO 0.11 0.56 -1.63 0.44 -1.29 0.00 0.00 177.43 175.62 1h0t h ASP 53 N 0.99 0.63 0.02 1.15 3.32 -1.39 -2.49 116.42 118.66 1h0t h ASP 53 Ca 0.37 -0.84 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1h0t h ASP 53 Cb 0.14 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1h0t h ASP 53 CO -0.16 1.70 -0.01 0.00 -1.72 0.00 0.00 179.24 179.04 1h0t h ALA 54 N 0.21 -0.03 0.00 3.45 0.00 -1.05 -2.98 119.26 118.86 1h0t h ALA 54 Ca -0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1h0t h ALA 54 Cb 2.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1h0t h ALA 54 CO 0.20 -0.33 -0.19 1.96 0.00 0.00 0.00 179.25 180.89 1h0t h GLN 55 N -0.40 0.00 -7.05 0.00 4.20 -0.57 -3.46 115.11 107.83 1h0t h GLN 55 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.17 1h0t h GLN 55 Cb 0.38 0.00 0.20 0.00 0.30 0.00 0.00 27.48 28.36 1h0t h GLN 55 CO 0.00 0.19 -0.04 0.00 -0.67 0.00 0.00 178.83 178.32 1h0t n ALA 56 N -2.24 -1.17 -1.38 3.87 0.00 -0.94 -4.85 120.51 113.81 1h0t n ALA 56 Ca -0.01 -0.48 -0.39 0.00 0.00 0.00 0.00 53.44 52.57 1h0t n ALA 56 Cb 0.37 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 1h0t n ALA 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1h0t n PRO 57 N -2.89 2.86 0.00 0.00 -0.04 -1.26 -5.00 135.00 128.67 1h0t n PRO 57 Ca 0.11 -2.21 0.12 0.00 -0.04 0.00 0.00 63.50 61.48 1h0t n PRO 57 Cb 0.52 -2.96 0.10 0.00 -0.04 0.00 0.00 33.50 31.12 1h0t n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09