#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 6.83 0.82 4.52 -1.08 -1.26 -5.05 116.67 121.45 1h0t s ASP 2 Ca 0.00 0.99 -0.11 0.00 -0.52 0.00 0.00 52.55 52.91 1h0t s ASP 2 Cb 0.00 -2.45 0.08 0.00 -1.46 0.00 0.00 42.92 39.09 1h0t s ASP 2 CO 0.00 -0.59 1.09 0.21 0.52 0.00 0.00 175.17 176.40 1h0t s ASN 3 N 1.42 4.27 0.20 -0.34 3.84 -1.26 -4.91 114.94 118.16 1h0t s ASN 3 Ca 0.36 1.42 -0.10 0.00 0.21 0.00 0.00 52.86 54.75 1h0t s ASN 3 Cb -0.15 -2.15 0.23 0.00 -0.55 0.00 0.00 41.25 38.64 1h0t s ASN 3 CO 0.09 -2.12 1.77 0.07 -2.79 0.00 0.00 177.10 174.12 1h0t h LYS 4 N -1.19 0.48 -0.01 0.43 2.10 -2.01 -1.98 116.57 114.38 1h0t h LYS 4 Ca -0.47 -0.03 -0.10 0.00 -2.00 0.00 0.00 60.65 58.05 1h0t h LYS 4 Cb 1.27 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1h0t h LYS 4 CO 0.57 0.32 -0.48 0.74 -2.00 0.00 0.00 179.45 178.60 1h0t h PHE 5 N 0.50 0.04 -0.27 0.07 0.04 -1.92 -1.45 116.94 113.93 1h0t h PHE 5 Ca 0.28 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.10 1h0t h PHE 5 Cb 0.27 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 1h0t h PHE 5 CO -0.13 0.51 -0.16 -0.91 -0.60 0.00 0.00 178.31 177.02 1h0t h ASN 6 N 0.02 -0.52 0.55 2.17 4.21 -1.71 -2.57 115.58 117.74 1h0t h ASN 6 Ca -0.00 0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1h0t h ASN 6 Cb 0.87 0.27 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 1h0t h ASN 6 CO 0.06 -0.19 -1.34 1.17 -1.29 0.00 0.00 177.43 175.84 1h0t n LYS 7 N -5.32 0.56 0.10 0.81 0.00 -1.23 -4.17 118.16 108.91 1h0t n LYS 7 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 58.31 58.32 1h0t n LYS 7 Cb 0.24 -1.68 0.38 0.00 0.00 0.00 0.00 35.03 33.97 1h0t n LYS 7 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1h0t h GLU 8 N 0.00 0.28 -0.74 1.64 4.39 -1.06 0.46 114.58 119.55 1h0t h GLU 8 Ca 0.00 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1h0t h GLU 8 Cb 0.94 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 1h0t h GLU 8 CO 0.00 0.39 0.28 1.96 -1.16 0.00 0.00 179.01 180.48 1h0t h GLN 9 N 0.27 1.12 0.05 2.33 4.20 -1.63 0.63 115.11 122.09 1h0t h GLN 9 Ca 0.06 -0.21 -0.25 0.00 0.06 0.00 0.00 58.65 58.30 1h0t h GLN 9 Cb 0.34 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 27.96 1h0t h GLN 9 CO 0.02 0.92 -1.08 -0.56 -0.67 0.00 0.00 178.83 177.46 1h0t h GLN 10 N 1.07 0.44 -0.42 1.46 -0.00 -1.52 0.42 115.11 116.57 1h0t h GLN 10 Ca 0.24 -0.55 -0.05 0.00 -0.00 0.00 0.00 58.65 58.29 1h0t h GLN 10 Cb 0.24 0.17 -0.02 0.00 -0.00 0.00 0.00 27.48 27.87 1h0t h GLN 10 CO -0.02 1.20 0.05 -0.97 -0.00 0.00 0.00 178.83 179.10 1h0t h ASN 11 N 0.21 0.68 -0.22 0.06 -1.24 0.14 0.59 115.58 115.81 1h0t h ASN 11 Ca -0.12 -0.27 -0.05 0.00 0.71 0.00 0.00 56.30 56.57 1h0t h ASN 11 Cb 1.74 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.61 1h0t h ASN 11 CO 0.19 0.78 -0.07 0.00 -1.29 0.00 0.00 177.43 177.04 1h0t h ALA 12 N 0.92 0.30 0.39 1.57 0.00 0.26 0.26 119.26 122.97 1h0t h ALA 12 Ca 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1h0t h ALA 12 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1h0t h ALA 12 CO 0.01 0.11 -0.39 0.35 0.00 0.00 0.00 179.25 179.33 1h0t h PHE 13 N 0.15 -1.07 -0.01 0.00 3.57 0.05 0.40 116.94 120.03 1h0t h PHE 13 Ca 0.05 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1h0t h PHE 13 Cb 0.54 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 1h0t h PHE 13 CO 0.06 -0.54 -0.27 -0.92 -2.23 0.00 0.00 178.31 174.40 1h0t h TYR 14 N -0.81 -0.74 -0.90 0.41 3.20 0.22 -0.20 116.97 118.15 1h0t h TYR 14 Ca -0.03 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1h0t h TYR 14 Cb 0.72 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 39.27 1h0t h TYR 14 CO -0.22 -0.37 0.59 0.93 -1.64 0.00 0.00 178.16 177.46 1h0t h GLU 15 N -0.41 1.13 -0.49 1.82 4.39 -0.25 0.65 114.58 121.42 1h0t h GLU 15 Ca 0.07 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1h0t h GLU 15 Cb 0.50 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1h0t h GLU 15 CO -0.25 0.75 0.19 0.82 -1.16 0.00 0.00 179.01 179.36 1h0t h ILE 16 N 1.16 0.86 -0.33 3.13 2.04 0.54 0.45 117.51 125.36 1h0t h ILE 16 Ca 0.35 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.95 1h0t h ILE 16 Cb -0.05 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1h0t h ILE 16 CO -0.10 0.07 -0.32 -0.07 0.00 0.00 0.00 178.15 177.72 1h0t h LEU 17 N 0.37 0.74 -0.76 1.44 3.38 0.22 -3.21 115.31 117.49 1h0t h LEU 17 Ca 0.23 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1h0t h LEU 17 Cb 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1h0t h LEU 17 CO -0.22 1.00 -0.08 1.41 0.09 0.00 0.00 178.44 180.64 1h0t n HIS 18 N -4.07 0.00 -2.09 1.13 8.25 0.21 -4.91 115.22 113.75 1h0t n HIS 18 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1h0t n HIS 18 Cb 0.48 -0.05 -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 -2.18 4.36 0.57 2.41 1.43 0.15 -4.90 118.68 120.52 1h0t s LEU 19 Ca 0.34 2.39 0.38 0.00 -1.03 0.00 0.00 54.13 56.21 1h0t s LEU 19 Cb 0.20 -3.58 1.92 0.00 0.03 0.00 0.00 46.19 44.76 1h0t s LEU 19 CO 0.40 -0.73 2.14 1.55 0.23 0.00 0.00 176.35 179.94 1h0t h PRO 20 N 7.12 0.00 -0.08 1.29 0.13 -1.91 -3.00 132.00 135.55 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 0.89 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.75 1h0t n ASN 21 N -2.92 2.25 -4.83 1.44 3.02 -1.26 -5.02 115.26 107.95 1h0t n ASN 21 Ca -0.02 -2.05 -0.37 0.00 -0.03 0.00 0.00 54.58 52.11 1h0t n ASN 21 Cb 0.13 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.09 4.42 0.00 3.41 1.43 -1.14 -4.73 118.68 120.98 1h0t s LEU 22 Ca 0.07 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 1h0t s LEU 22 Cb 0.04 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1h0t s LEU 22 CO 0.04 0.17 0.02 -0.46 0.23 0.00 0.00 176.35 176.35 1h0t n ASN 23 N 1.19 2.11 0.14 2.29 0.23 -1.26 -4.84 115.26 115.12 1h0t n ASN 23 Ca -0.07 -1.51 0.03 0.00 -0.53 0.00 0.00 54.58 52.50 1h0t n ASN 23 Cb 0.51 0.06 0.41 0.00 -2.08 0.00 0.00 39.78 38.68 1h0t n ASN 23 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1h0t h GLU 24 N 0.00 0.17 -0.04 -3.83 9.09 -1.98 0.29 114.58 118.29 1h0t h GLU 24 Ca -0.10 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.26 1h0t h GLU 24 Cb 0.30 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1h0t h GLU 24 CO 0.16 0.34 -0.03 1.49 0.05 0.00 0.00 179.01 181.01 1h0t h GLU 25 N 0.16 0.09 0.12 1.06 4.81 -1.98 -2.52 114.58 116.32 1h0t h GLU 25 Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1h0t h GLU 25 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1h0t h GLU 25 CO 0.02 0.54 -0.06 1.96 -0.73 0.00 0.00 179.01 180.75 1h0t h GLN 26 N -0.36 -0.15 -0.21 1.92 7.50 -1.92 -2.85 115.11 119.03 1h0t h GLN 26 Ca 0.01 0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.19 1h0t h GLN 26 Cb 0.52 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.07 1h0t h GLN 26 CO 0.01 0.29 0.08 -0.09 -1.50 0.00 0.00 178.83 177.62 1h0t h ARG 27 N -0.92 0.18 -0.49 1.46 2.43 -0.57 -1.49 114.38 114.99 1h0t h ARG 27 Ca -0.02 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1h0t h ARG 27 Cb 0.52 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1h0t h ARG 27 CO 0.03 0.12 -0.19 -0.91 -1.51 0.00 0.00 179.97 177.50 1h0t h ASN 28 N 0.19 1.00 -0.80 -3.80 2.35 -1.59 -1.97 115.58 110.95 1h0t h ASN 28 Ca 0.09 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1h0t h ASN 28 Cb 0.05 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 1h0t h ASN 28 CO -0.09 1.16 0.51 0.00 -1.65 0.00 0.00 177.43 177.36 1h0t h ALA 29 N 0.92 1.39 -0.55 -0.83 0.00 -1.36 -1.19 119.26 117.62 1h0t h ALA 29 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1h0t h ALA 29 Cb 0.76 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1h0t h ALA 29 CO 0.06 0.55 0.18 0.74 0.00 0.00 0.00 179.25 180.78 1h0t h PHE 30 N 1.10 0.88 0.00 0.00 0.04 -0.97 -0.65 116.94 117.35 1h0t h PHE 30 Ca 0.29 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 1h0t h PHE 30 Cb -0.09 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 37.80 1h0t h PHE 30 CO 0.00 0.74 -0.09 0.82 -0.60 0.00 0.00 178.31 179.18 1h0t h ILE 31 N 0.76 0.70 0.05 -0.55 2.04 -0.57 0.52 117.51 120.47 1h0t h ILE 31 Ca 0.18 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1h0t h ILE 31 Cb 0.27 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1h0t h ILE 31 CO -0.01 0.09 -0.03 1.56 0.00 0.00 0.00 178.15 179.77 1h0t h GLN 32 N 0.00 -0.07 -0.17 2.37 4.20 -0.03 0.21 115.11 121.62 1h0t h GLN 32 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1h0t h GLN 32 Cb 0.22 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1h0t h GLN 32 CO 0.01 0.54 -0.13 0.66 -0.67 0.00 0.00 178.83 179.25 1h0t h SER 33 N -0.80 0.25 0.06 1.46 4.64 -0.84 -2.09 113.55 116.24 1h0t h SER 33 Ca -0.01 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.12 1h0t h SER 33 Cb 0.64 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1h0t h SER 33 CO 0.01 0.41 -0.59 0.25 -0.87 0.00 0.00 176.83 176.04 1h0t h LEU 34 N 0.25 0.41 -1.30 5.97 5.85 -0.02 -1.81 115.31 124.65 1h0t h LEU 34 Ca 0.05 -0.87 -0.07 0.00 0.84 0.00 0.00 57.88 57.83 1h0t h LEU 34 Cb 0.39 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1h0t h LEU 34 CO 0.02 1.24 -0.32 0.11 -0.34 0.00 0.00 178.44 179.15 1h0t h LYS 35 N -0.37 0.05 0.00 1.25 1.57 -0.89 -3.21 116.57 114.98 1h0t h LYS 35 Ca -0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1h0t h LYS 35 Cb 1.38 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1h0t h LYS 35 CO 0.11 0.37 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.92 1h0t h ASP 36 N 0.05 -0.00 -3.59 0.86 3.32 -1.46 -3.44 116.42 112.15 1h0t h ASP 36 Ca 0.01 -0.94 -0.68 0.00 0.02 0.00 0.00 57.03 55.44 1h0t h ASP 36 Cb 0.59 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.82 1h0t h ASP 36 CO 0.04 0.96 -0.73 -0.62 -1.72 0.00 0.00 179.24 177.17 1h0t s ASP 37 N -6.17 4.50 0.19 6.45 -1.08 -0.68 -5.00 116.67 114.89 1h0t s ASP 37 Ca -0.18 -0.98 -0.02 0.00 -0.52 0.00 0.00 52.55 50.85 1h0t s ASP 37 Cb -0.03 -1.68 0.12 0.00 -1.46 0.00 0.00 42.92 39.87 1h0t s ASP 37 CO 0.65 -0.17 1.50 1.55 0.52 0.00 0.00 175.17 179.23 1h0t h PRO 38 N 8.01 0.48 -0.34 4.34 0.13 -1.84 -3.32 132.00 139.47 1h0t h PRO 38 Ca -0.29 -0.32 -0.06 0.00 -0.87 0.00 0.00 66.00 64.45 1h0t h PRO 38 Cb 1.09 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1h0t h PRO 38 CO 0.56 0.93 -0.06 1.03 -0.23 0.00 0.00 178.00 180.24 1h0t h SER 39 N 0.36 0.52 -0.21 1.44 0.87 -1.93 -2.74 113.55 111.86 1h0t h SER 39 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1h0t h SER 39 Cb 1.14 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1h0t h SER 39 CO 0.11 0.63 0.00 0.00 -0.53 0.00 0.00 176.83 177.04 1h0t n GLN 40 N -4.23 1.52 -0.19 2.24 10.64 -1.25 -4.33 117.38 121.78 1h0t n GLN 40 Ca 0.01 -0.81 -0.04 0.00 -1.83 0.00 0.00 57.00 54.33 1h0t n GLN 40 Cb 0.29 -1.21 0.06 0.00 -0.86 0.00 0.00 30.24 28.52 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1h0t h SER 41 N 1.37 0.45 -0.25 2.61 4.64 -1.62 0.53 113.55 121.28 1h0t h SER 41 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1h0t h SER 41 Cb 0.31 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1h0t h SER 41 CO 0.00 0.31 0.13 0.00 -0.87 0.00 0.00 176.83 176.39 1h0t h ALA 42 N 1.29 0.32 -0.86 5.18 0.00 -1.81 0.10 119.26 123.48 1h0t h ALA 42 Ca 0.24 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1h0t h ALA 42 Cb 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1h0t h ALA 42 CO -0.15 -0.13 0.56 -0.91 0.00 0.00 0.00 179.25 178.62 1h0t h ASN 43 N 0.28 0.82 -0.58 0.00 4.21 -1.69 0.38 115.58 119.00 1h0t h ASN 43 Ca 0.09 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.54 1h0t h ASN 43 Cb 0.10 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.11 1h0t h ASN 43 CO -0.01 0.52 0.12 -0.07 -1.29 0.00 0.00 177.43 176.69 1h0t h LEU 44 N 0.93 0.90 -0.31 1.61 3.38 0.91 0.60 115.31 123.32 1h0t h LEU 44 Ca 0.38 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1h0t h LEU 44 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1h0t h LEU 44 CO -0.14 0.92 -0.18 0.25 0.09 0.00 0.00 178.44 179.38 1h0t h LEU 45 N 0.84 0.70 -0.44 1.67 5.85 0.19 0.40 115.31 124.53 1h0t h LEU 45 Ca 0.18 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1h0t h LEU 45 Cb 0.39 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1h0t h LEU 45 CO 0.01 0.96 0.18 0.00 -0.34 0.00 0.00 178.44 179.25 1h0t h ALA 46 N 0.76 0.53 -0.22 1.25 0.00 0.23 0.95 119.26 122.76 1h0t h ALA 46 Ca 0.07 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1h0t h ALA 46 Cb 0.71 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1h0t h ALA 46 CO 0.05 -0.20 -0.41 1.05 0.00 0.00 0.00 179.25 179.74 1h0t h GLU 47 N 0.37 0.52 -0.38 0.00 4.11 0.31 0.81 114.58 120.32 1h0t h GLU 47 Ca 0.20 -0.27 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 1h0t h GLU 47 Cb 0.16 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1h0t h GLU 47 CO -0.18 0.85 -0.13 0.00 0.07 0.00 0.00 179.01 179.62 1h0t h ALA 48 N 1.12 1.06 -0.06 1.06 0.00 0.78 0.52 119.26 123.75 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 0.91 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1h0t h ALA 48 CO 0.08 0.57 -0.78 0.87 0.00 0.00 0.00 179.25 180.00 1h0t h LYS 49 N 0.62 0.39 -0.75 0.00 1.57 0.13 0.26 116.57 118.79 1h0t h LYS 49 Ca 0.11 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1h0t h LYS 49 Cb 0.58 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1h0t h LYS 49 CO 0.04 0.99 0.32 -0.22 -0.57 0.00 0.00 179.45 180.00 1h0t h LYS 50 N 0.25 1.11 -0.15 3.15 3.64 0.11 -1.88 116.57 122.81 1h0t h LYS 50 Ca -0.04 -0.18 -0.19 0.00 -1.27 0.00 0.00 60.65 58.97 1h0t h LYS 50 Cb 1.36 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1h0t h LYS 50 CO 0.13 0.89 -0.67 -0.07 -2.27 0.00 0.00 179.45 177.46 1h0t h LEU 51 N 1.09 0.67 -0.95 5.20 4.07 0.38 -1.28 115.31 124.49 1h0t h LEU 51 Ca 0.25 -0.41 0.08 0.00 0.08 0.00 0.00 57.88 57.88 1h0t h LEU 51 Cb 0.18 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 41.65 1h0t h LEU 51 CO -0.02 1.16 0.60 -1.13 -1.08 0.00 0.00 178.44 177.97 1h0t h ASN 52 N 0.42 0.94 0.18 -0.43 -1.24 0.26 0.28 115.58 115.99 1h0t h ASN 52 Ca -0.02 0.02 -0.34 0.00 0.71 0.00 0.00 56.30 56.67 1h0t h ASN 52 Cb 1.25 -0.18 0.01 0.00 0.73 0.00 0.00 38.32 40.14 1h0t h ASN 52 CO 0.13 0.58 -1.67 -0.78 -1.29 0.00 0.00 177.43 174.40 1h0t h ASP 53 N 1.06 0.59 0.02 1.15 3.58 -1.34 -2.35 116.42 119.14 1h0t h ASP 53 Ca 0.43 -0.93 -0.00 0.00 0.42 0.00 0.00 57.03 56.95 1h0t h ASP 53 Cb 0.24 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1h0t h ASP 53 CO -0.19 1.75 -0.01 0.00 -2.88 0.00 0.00 179.24 177.91 1h0t h ALA 54 N 0.08 -0.02 0.00 -0.78 0.00 -1.05 -2.74 119.26 114.75 1h0t h ALA 54 Ca -0.33 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1h0t h ALA 54 Cb 2.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 1h0t h ALA 54 CO 0.16 -0.40 -0.32 1.96 0.00 0.00 0.00 179.25 180.65 1h0t h GLN 55 N -0.25 0.00 -7.05 0.00 4.20 -0.61 -3.45 115.11 107.94 1h0t h GLN 55 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1h0t h GLN 55 Cb 0.24 0.00 0.20 0.00 0.30 0.00 0.00 27.48 28.22 1h0t h GLN 55 CO 0.00 0.32 -0.07 0.00 -0.67 0.00 0.00 178.83 178.42 1h0t n ALA 56 N -2.33 -1.31 0.22 3.87 0.00 -0.88 -4.91 120.51 115.16 1h0t n ALA 56 Ca -0.01 -0.51 0.07 0.00 0.00 0.00 0.00 53.44 52.99 1h0t n ALA 56 Cb 0.43 -2.05 0.52 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.50 0.00 -0.01 0.00 0.13 -1.88 -3.48 132.00 125.26 1h0t h PRO 57 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1h0t h PRO 57 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1h0t h PRO 57 CO 0.40 0.24 0.00 1.17 -0.23 0.00 0.00 178.00 179.58