#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 6.35 0.45 4.52 -1.08 -1.26 -4.94 116.67 120.71 1h0t s ASP 2 Ca 0.00 2.14 0.14 0.00 -0.52 0.00 0.00 52.55 54.31 1h0t s ASP 2 Cb 0.00 -2.59 1.06 0.00 -1.46 0.00 0.00 42.92 39.94 1h0t s ASP 2 CO 0.00 -0.78 2.01 -0.55 0.52 0.00 0.00 175.17 176.37 1h0t h ASN 3 N 2.03 0.31 -0.69 -0.34 7.08 -2.03 -2.14 115.58 119.80 1h0t h ASN 3 Ca -0.49 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 52.72 1h0t h ASN 3 Cb 1.23 -0.06 -0.03 0.00 -2.08 0.00 0.00 38.32 37.38 1h0t h ASN 3 CO 0.60 0.20 0.37 0.07 -2.08 0.00 0.00 177.43 176.59 1h0t h LYS 4 N 0.35 0.98 0.00 4.14 2.10 -2.01 -2.66 116.57 119.47 1h0t h LYS 4 Ca 0.23 -0.11 -0.02 0.00 -2.00 0.00 0.00 60.65 58.75 1h0t h LYS 4 Cb 0.45 -0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1h0t h LYS 4 CO -0.06 0.74 -0.09 0.74 -2.00 0.00 0.00 179.45 178.78 1h0t h PHE 5 N 0.99 0.00 0.26 0.07 0.04 -1.68 -1.89 116.94 114.73 1h0t h PHE 5 Ca 0.25 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.02 1h0t h PHE 5 Cb 0.05 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 1h0t h PHE 5 CO 0.01 0.09 -0.44 -0.97 -0.60 0.00 0.00 178.31 176.40 1h0t h ASN 6 N 0.00 -1.26 0.97 2.17 -0.73 -1.56 0.38 115.58 115.55 1h0t h ASN 6 Ca -0.00 0.12 -0.15 0.00 1.87 0.00 0.00 56.30 58.15 1h0t h ASN 6 Cb 0.17 0.45 -0.02 0.00 0.27 0.00 0.00 38.32 39.19 1h0t h ASN 6 CO 0.01 -0.54 -0.70 0.50 -0.37 0.00 0.00 177.43 176.33 1h0t h LYS 7 N -0.77 0.00 -0.94 6.67 3.64 -1.71 -2.68 116.57 120.78 1h0t h LYS 7 Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1h0t h LYS 7 Cb 0.74 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 1h0t h LYS 7 CO -0.17 0.70 0.62 0.93 -2.27 0.00 0.00 179.45 179.26 1h0t h GLU 8 N 0.00 1.16 -0.60 1.90 4.39 -0.99 1.14 114.58 121.57 1h0t h GLU 8 Ca -0.01 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1h0t h GLU 8 Cb 1.37 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1h0t h GLU 8 CO 0.09 0.76 -0.01 1.96 -1.16 0.00 0.00 179.01 180.66 1h0t h GLN 9 N 1.19 1.06 -0.24 2.33 4.20 -0.86 0.48 115.11 123.27 1h0t h GLN 9 Ca 0.37 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1h0t h GLN 9 Cb 0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1h0t h GLN 9 CO -0.11 1.03 0.09 0.37 -0.67 0.00 0.00 178.83 179.54 1h0t h GLN 10 N 0.96 0.36 -0.19 1.46 4.15 -0.38 0.55 115.11 122.02 1h0t h GLN 10 Ca 0.17 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 1h0t h GLN 10 Cb 0.56 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1h0t h GLN 10 CO 0.03 0.40 -0.17 -0.97 -1.93 0.00 0.00 178.83 176.19 1h0t h ASN 11 N 0.23 0.48 -0.63 -0.69 -1.24 0.13 0.17 115.58 114.03 1h0t h ASN 11 Ca 0.08 -0.47 -0.03 0.00 0.71 0.00 0.00 56.30 56.59 1h0t h ASN 11 Cb 0.18 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 1h0t h ASN 11 CO -0.01 0.85 0.27 0.00 -1.29 0.00 0.00 177.43 177.25 1h0t h ALA 12 N 0.65 0.82 0.58 1.57 0.00 0.03 0.38 119.26 123.28 1h0t h ALA 12 Ca 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1h0t h ALA 12 Cb 0.71 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1h0t h ALA 12 CO 0.04 0.42 -0.32 0.35 0.00 0.00 0.00 179.25 179.74 1h0t h PHE 13 N 0.88 -0.85 -0.12 0.00 3.57 0.18 0.40 116.94 121.00 1h0t h PHE 13 Ca 0.21 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1h0t h PHE 13 Cb 0.17 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1h0t h PHE 13 CO 0.01 -0.50 -0.20 -0.92 -2.23 0.00 0.00 178.31 174.47 1h0t h TYR 14 N -0.84 -0.52 -0.80 0.41 3.20 -0.72 -0.61 116.97 117.09 1h0t h TYR 14 Ca -0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1h0t h TYR 14 Cb 0.67 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 1h0t h TYR 14 CO -0.07 -0.28 0.52 0.93 -1.64 0.00 0.00 178.16 177.62 1h0t h GLU 15 N -0.26 1.06 -0.54 1.82 4.39 -0.09 0.57 114.58 121.54 1h0t h GLU 15 Ca 0.10 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.80 1h0t h GLU 15 Cb 0.40 -0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 1h0t h GLU 15 CO -0.27 0.71 0.21 0.82 -1.16 0.00 0.00 179.01 179.32 1h0t h ILE 16 N 1.08 0.83 -0.28 3.13 2.04 0.52 0.52 117.51 125.35 1h0t h ILE 16 Ca 0.29 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.87 1h0t h ILE 16 Cb -0.10 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1h0t h ILE 16 CO -0.06 0.07 -0.42 -0.07 0.00 0.00 0.00 178.15 177.67 1h0t h LEU 17 N 0.39 0.75 -0.51 1.44 3.38 -0.22 -3.23 115.31 117.31 1h0t h LEU 17 Ca 0.26 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1h0t h LEU 17 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1h0t h LEU 17 CO -0.25 1.07 -0.14 1.41 0.09 0.00 0.00 178.44 180.62 1h0t n HIS 18 N -4.03 0.00 -2.04 1.13 8.25 0.19 -4.91 115.22 113.82 1h0t n HIS 18 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1h0t n HIS 18 Cb 0.54 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 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 -2.35 4.36 0.50 2.41 1.43 0.17 -4.89 118.68 120.31 1h0t s LEU 19 Ca 0.30 2.43 0.34 0.00 -1.03 0.00 0.00 54.13 56.17 1h0t s LEU 19 Cb 0.20 -3.58 1.71 0.00 0.03 0.00 0.00 46.19 44.55 1h0t s LEU 19 CO 0.46 -0.78 2.02 1.55 0.23 0.00 0.00 176.35 179.83 1h0t h PRO 20 N 7.37 0.00 -0.02 1.29 0.13 -1.90 -3.00 132.00 135.87 1h0t h PRO 20 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1h0t h PRO 20 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1h0t h PRO 20 CO 0.90 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.76 1h0t n ASN 21 N -2.75 2.13 -4.79 1.44 3.02 -1.26 -5.02 115.26 108.04 1h0t n ASN 21 Ca -0.01 -2.21 -0.39 0.00 -0.03 0.00 0.00 54.58 51.94 1h0t n ASN 21 Cb 0.12 -0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.37 4.48 0.00 3.41 1.43 -1.13 -4.69 118.68 120.80 1h0t s LEU 22 Ca 0.08 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1h0t s LEU 22 Cb 0.06 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.39 1h0t s LEU 22 CO 0.01 0.20 0.00 -0.46 0.23 0.00 0.00 176.35 176.34 1h0t n ASN 23 N 2.18 0.97 -0.18 2.29 0.23 -1.26 -4.82 115.26 114.67 1h0t n ASN 23 Ca -0.09 -1.01 -0.10 0.00 -0.53 0.00 0.00 54.58 52.85 1h0t n ASN 23 Cb 0.51 -0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.21 1h0t n ASN 23 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1h0t h GLU 24 N 0.00 0.90 -0.36 -3.83 3.07 -1.97 0.28 114.58 112.66 1h0t h GLU 24 Ca -0.00 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 1h0t h GLU 24 Cb 0.01 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1h0t h GLU 24 CO 0.00 0.94 0.19 1.49 -1.40 0.00 0.00 179.01 180.23 1h0t h GLU 25 N 0.77 0.51 0.13 2.33 4.57 -1.98 -0.71 114.58 120.20 1h0t h GLU 25 Ca 0.14 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1h0t h GLU 25 Cb 0.53 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1h0t h GLU 25 CO 0.03 0.43 -0.06 1.96 -1.18 0.00 0.00 179.01 180.19 1h0t h GLN 26 N 0.46 -0.16 -0.28 1.92 7.50 -1.93 -2.91 115.11 119.71 1h0t h GLN 26 Ca 0.13 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.29 1h0t h GLN 26 Cb 0.08 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1h0t h GLN 26 CO -0.02 0.23 0.17 -0.09 -1.50 0.00 0.00 178.83 177.62 1h0t h ARG 27 N -0.95 0.37 -0.39 1.46 2.43 -0.52 -1.96 114.38 114.83 1h0t h ARG 27 Ca -0.02 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 1h0t h ARG 27 Cb 0.47 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1h0t h ARG 27 CO 0.03 0.28 -0.14 -0.91 -1.51 0.00 0.00 179.97 177.71 1h0t h ASN 28 N 0.36 0.80 -0.65 -3.80 2.35 -1.27 -2.39 115.58 110.99 1h0t h ASN 28 Ca 0.10 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1h0t h ASN 28 Cb -0.01 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1h0t h ASN 28 CO -0.02 1.01 0.35 0.00 -1.65 0.00 0.00 177.43 177.12 1h0t h ALA 29 N 0.82 1.36 -0.56 -0.83 0.00 -1.48 -2.16 119.26 116.41 1h0t h ALA 29 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1h0t h ALA 29 Cb 0.68 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1h0t h ALA 29 CO 0.05 0.52 0.29 0.74 0.00 0.00 0.00 179.25 180.85 1h0t h PHE 30 N 0.93 0.78 0.00 0.00 0.04 -1.14 -0.49 116.94 117.06 1h0t h PHE 30 Ca 0.24 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.95 1h0t h PHE 30 Cb 0.05 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 1h0t h PHE 30 CO 0.01 0.58 -0.13 0.82 -0.60 0.00 0.00 178.31 178.99 1h0t h ILE 31 N 0.75 0.93 -0.05 -0.55 2.04 -0.90 0.68 117.51 120.41 1h0t h ILE 31 Ca 0.19 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 1h0t h ILE 31 Cb 0.07 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1h0t h ILE 31 CO -0.03 0.12 -0.24 1.56 0.00 0.00 0.00 178.15 179.56 1h0t h GLN 32 N 0.00 0.25 0.00 2.37 4.20 -0.59 -0.06 115.11 121.27 1h0t h GLN 32 Ca -0.00 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.40 1h0t h GLN 32 Cb 0.25 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1h0t h GLN 32 CO 0.02 0.86 -0.52 0.66 -0.67 0.00 0.00 178.83 179.17 1h0t h SER 33 N -0.30 0.00 0.13 1.46 4.64 -0.71 -3.04 113.55 115.73 1h0t h SER 33 Ca -0.02 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1h0t h SER 33 Cb 0.90 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1h0t h SER 33 CO 0.05 0.52 -0.73 0.25 -0.87 0.00 0.00 176.83 176.04 1h0t h LEU 34 N 0.00 0.42 -1.39 5.97 5.85 0.34 -1.60 115.31 124.90 1h0t h LEU 34 Ca -0.01 -0.96 -0.06 0.00 0.84 0.00 0.00 57.88 57.70 1h0t h LEU 34 Cb 0.94 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1h0t h LEU 34 CO 0.07 1.35 -0.22 0.11 -0.34 0.00 0.00 178.44 179.41 1h0t h LYS 35 N -0.44 0.13 0.00 1.25 1.57 -1.06 -3.10 116.57 114.92 1h0t h LYS 35 Ca -0.13 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.40 1h0t h LYS 35 Cb 1.58 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.84 1h0t h LYS 35 CO 0.14 0.35 -1.69 -0.25 -0.57 0.00 0.00 179.45 177.42 1h0t n ASP 36 N -4.23 0.67 -4.03 0.86 8.00 -1.15 -4.79 116.55 111.87 1h0t n ASP 36 Ca -0.01 0.30 -0.31 0.00 0.71 0.00 0.00 54.79 55.47 1h0t n ASP 36 Cb 0.31 0.36 -0.15 0.00 -0.02 0.00 0.00 41.12 41.62 1h0t n ASP 36 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1h0t s ASP 37 N -5.73 4.72 0.15 -2.24 -1.08 -0.60 -4.98 116.67 106.91 1h0t s ASP 37 Ca -0.05 -1.99 -0.09 0.00 -0.52 0.00 0.00 52.55 49.90 1h0t s ASP 37 Cb 0.08 -1.62 -0.00 0.00 -1.46 0.00 0.00 42.92 39.92 1h0t s ASP 37 CO 0.82 -0.34 1.48 1.55 0.52 0.00 0.00 175.17 179.20 1h0t h PRO 38 N 7.66 0.85 -0.39 4.34 0.13 -1.85 -3.16 132.00 139.58 1h0t h PRO 38 Ca -0.08 -0.47 -0.08 0.00 -0.87 0.00 0.00 66.00 64.50 1h0t h PRO 38 Cb 1.03 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1h0t h PRO 38 CO 0.51 1.11 -0.10 0.77 -0.23 0.00 0.00 178.00 180.06 1h0t h SER 39 N 0.68 0.66 -0.13 1.44 0.02 -1.93 -2.75 113.55 111.55 1h0t h SER 39 Ca 0.05 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1h0t h SER 39 Cb 1.02 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1h0t h SER 39 CO 0.10 0.80 0.00 1.67 -1.14 0.00 0.00 176.83 178.26 1h0t n GLN 40 N -4.18 1.51 -0.16 3.45 -0.06 -1.23 -4.34 117.38 112.37 1h0t n GLN 40 Ca 0.01 -0.77 -0.05 0.00 -2.00 0.00 0.00 57.00 54.19 1h0t n GLN 40 Cb 0.34 -1.35 0.04 0.00 -4.06 0.00 0.00 30.24 25.21 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1h0t h SER 41 N 1.53 0.40 -0.35 1.69 4.64 -1.45 0.42 113.55 120.42 1h0t h SER 41 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1h0t h SER 41 Cb 0.34 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1h0t h SER 41 CO 0.00 0.28 0.16 0.00 -0.87 0.00 0.00 176.83 176.41 1h0t h ALA 42 N 1.24 0.46 -0.81 5.18 0.00 -1.81 -0.48 119.26 123.04 1h0t h ALA 42 Ca 0.20 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1h0t h ALA 42 Cb 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1h0t h ALA 42 CO -0.12 0.02 0.53 -0.91 0.00 0.00 0.00 179.25 178.77 1h0t h ASN 43 N 0.43 0.74 -0.58 0.00 4.21 -1.70 0.36 115.58 119.04 1h0t h ASN 43 Ca 0.12 0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.57 1h0t h ASN 43 Cb 0.13 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 1h0t h ASN 43 CO -0.01 0.46 0.09 -0.07 -1.29 0.00 0.00 177.43 176.61 1h0t h LEU 44 N 0.83 0.92 -0.31 1.61 3.38 0.75 0.66 115.31 123.15 1h0t h LEU 44 Ca 0.36 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1h0t h LEU 44 Cb 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1h0t h LEU 44 CO -0.13 0.95 -0.20 0.25 0.09 0.00 0.00 178.44 179.40 1h0t h LEU 45 N 0.86 0.72 -0.46 1.67 5.85 0.13 0.35 115.31 124.42 1h0t h LEU 45 Ca 0.18 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1h0t h LEU 45 Cb 0.42 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1h0t h LEU 45 CO 0.01 0.99 0.21 0.00 -0.34 0.00 0.00 178.44 179.31 1h0t h ALA 46 N 0.75 0.57 -0.22 1.25 0.00 0.19 0.95 119.26 122.74 1h0t h ALA 46 Ca 0.06 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1h0t h ALA 46 Cb 0.74 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1h0t h ALA 46 CO 0.06 -0.16 -0.42 1.05 0.00 0.00 0.00 179.25 179.78 1h0t h GLU 47 N 0.41 0.53 -0.41 0.00 4.11 0.44 0.84 114.58 120.50 1h0t h GLU 47 Ca 0.21 -0.28 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 1h0t h GLU 47 Cb 0.15 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1h0t h GLU 47 CO -0.17 0.86 -0.11 0.00 0.07 0.00 0.00 179.01 179.66 1h0t h ALA 48 N 1.11 1.04 -0.08 1.06 0.00 0.68 0.50 119.26 123.57 1h0t h ALA 48 Ca 0.04 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 1h0t h ALA 48 Cb 0.92 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1h0t h ALA 48 CO 0.08 0.58 -0.76 0.87 0.00 0.00 0.00 179.25 180.02 1h0t h LYS 49 N 0.66 0.46 -0.81 0.00 1.57 0.13 0.24 116.57 118.83 1h0t h LYS 49 Ca 0.12 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1h0t h LYS 49 Cb 0.56 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 1h0t h LYS 49 CO 0.04 1.03 0.41 -0.22 -0.57 0.00 0.00 179.45 180.13 1h0t h LYS 50 N 0.30 1.14 -0.16 3.15 3.64 0.12 -1.40 116.57 123.35 1h0t h LYS 50 Ca -0.04 -0.15 -0.19 0.00 -1.27 0.00 0.00 60.65 59.00 1h0t h LYS 50 Cb 1.36 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1h0t h LYS 50 CO 0.13 0.86 -0.67 -0.07 -2.27 0.00 0.00 179.45 177.43 1h0t h LEU 51 N 1.14 0.75 -0.84 5.20 4.07 0.34 -1.03 115.31 124.93 1h0t h LEU 51 Ca 0.28 -0.45 0.06 0.00 0.08 0.00 0.00 57.88 57.85 1h0t h LEU 51 Cb 0.07 -0.22 -0.06 0.00 1.08 0.00 0.00 40.66 41.53 1h0t h LEU 51 CO -0.04 1.22 0.52 -1.13 -1.08 0.00 0.00 178.44 177.92 1h0t h ASN 52 N 0.46 0.80 0.24 -0.43 -1.24 0.32 0.33 115.58 116.07 1h0t h ASN 52 Ca -0.02 0.02 -0.34 0.00 0.71 0.00 0.00 56.30 56.66 1h0t h ASN 52 Cb 1.26 -0.15 0.02 0.00 0.73 0.00 0.00 38.32 40.19 1h0t h ASN 52 CO 0.13 0.51 -1.62 0.44 -1.29 0.00 0.00 177.43 175.61 1h0t h ASP 53 N 0.94 0.71 0.04 1.15 3.32 -1.26 -2.34 116.42 118.98 1h0t h ASP 53 Ca 0.37 -0.90 -0.00 0.00 0.02 0.00 0.00 57.03 56.51 1h0t h ASP 53 Cb 0.18 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1h0t h ASP 53 CO -0.18 1.74 -0.02 0.00 -1.72 0.00 0.00 179.24 179.06 1h0t h ALA 54 N 0.16 -0.05 0.00 3.45 0.00 -0.99 -2.96 119.26 118.86 1h0t h ALA 54 Ca -0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1h0t h ALA 54 Cb 2.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1h0t h ALA 54 CO 0.22 -0.35 -0.25 1.96 0.00 0.00 0.00 179.25 180.83 1h0t h GLN 55 N -0.39 0.00 -7.00 0.00 4.20 -0.50 -3.45 115.11 107.96 1h0t h GLN 55 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.15 1h0t h GLN 55 Cb 0.36 0.00 0.18 0.00 0.30 0.00 0.00 27.48 28.32 1h0t h GLN 55 CO 0.01 0.25 0.14 0.00 -0.67 0.00 0.00 178.83 178.56 1h0t n ALA 56 N -2.30 -0.21 0.21 3.87 0.00 -0.88 -4.91 120.51 116.29 1h0t n ALA 56 Ca -0.01 -0.22 0.07 0.00 0.00 0.00 0.00 53.44 53.28 1h0t n ALA 56 Cb 0.38 -2.14 0.45 0.00 0.00 0.00 0.00 19.45 18.14 1h0t n ALA 56 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1h0t h PRO 57 N -0.37 0.00 0.00 0.00 0.13 -1.87 -3.48 132.00 126.40 1h0t h PRO 57 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1h0t h PRO 57 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1h0t h PRO 57 CO 0.47 0.30 0.00 1.17 -0.23 0.00 0.00 178.00 179.70