#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0t n ASP 2 N 0.00 4.40 -4.14 -1.34 5.75 -1.26 -4.99 116.55 114.97 1h0t n ASP 2 Ca 0.00 -0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 1h0t n ASP 2 Cb 0.00 0.24 -0.14 0.00 -1.03 0.00 0.00 41.12 40.18 1h0t n ASP 2 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1h0t s ASN 3 N -3.58 4.59 0.36 -1.12 3.84 -1.26 -4.98 114.94 112.79 1h0t s ASN 3 Ca -0.01 -1.24 0.14 0.00 0.21 0.00 0.00 52.86 51.97 1h0t s ASN 3 Cb 0.00 -1.64 0.67 0.00 -0.55 0.00 0.00 41.25 39.73 1h0t s ASN 3 CO 0.02 -0.21 1.77 0.07 -2.79 0.00 0.00 177.10 175.96 1h0t h LYS 4 N 7.92 0.00 -0.43 0.43 2.10 -2.01 -3.18 116.57 121.40 1h0t h LYS 4 Ca -0.23 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.50 1h0t h LYS 4 Cb 1.06 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.37 1h0t h LYS 4 CO 0.52 0.42 0.29 0.74 -2.00 0.00 0.00 179.45 179.42 1h0t h PHE 5 N 0.00 0.22 -0.00 0.07 0.04 -1.94 -1.69 116.94 113.64 1h0t h PHE 5 Ca -0.00 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.80 1h0t h PHE 5 Cb 0.80 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.83 1h0t h PHE 5 CO 0.00 0.11 -0.25 -0.97 -0.60 0.00 0.00 178.31 176.60 1h0t h ASN 6 N 0.21 -0.74 1.35 2.17 -0.73 -1.90 0.38 115.58 116.32 1h0t h ASN 6 Ca 0.19 0.10 -0.11 0.00 1.87 0.00 0.00 56.30 58.35 1h0t h ASN 6 Cb 0.50 0.30 -0.02 0.00 0.27 0.00 0.00 38.32 39.37 1h0t h ASN 6 CO -0.03 -0.32 -0.54 0.50 -0.37 0.00 0.00 177.43 176.66 1h0t h LYS 7 N -0.39 0.00 -0.16 6.67 1.63 -1.74 -1.56 116.57 121.02 1h0t h LYS 7 Ca 0.06 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1h0t h LYS 7 Cb 0.47 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1h0t h LYS 7 CO -0.22 0.54 -0.01 0.93 -3.45 0.00 0.00 179.45 177.24 1h0t h GLU 8 N 0.00 0.29 -0.69 1.90 4.39 -0.91 0.69 114.58 120.26 1h0t h GLU 8 Ca -0.01 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1h0t h GLU 8 Cb 1.37 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 1h0t h GLU 8 CO 0.07 0.54 0.27 1.96 -1.16 0.00 0.00 179.01 180.69 1h0t h GLN 9 N 0.02 1.02 -0.34 2.33 4.20 -0.29 0.58 115.11 122.64 1h0t h GLN 9 Ca 0.04 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1h0t h GLN 9 Cb 0.41 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1h0t h GLN 9 CO 0.01 0.83 0.18 0.37 -0.67 0.00 0.00 178.83 179.55 1h0t h GLN 10 N 1.00 0.48 -0.15 1.46 4.15 -0.75 0.69 115.11 121.99 1h0t h GLN 10 Ca 0.23 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 1h0t h GLN 10 Cb 0.20 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 1h0t h GLN 10 CO -0.02 0.41 -0.21 -0.97 -1.93 0.00 0.00 178.83 176.12 1h0t h ASN 11 N 0.42 0.44 -0.55 -0.69 -1.24 0.87 -0.23 115.58 114.58 1h0t h ASN 11 Ca 0.12 -0.52 -0.02 0.00 0.71 0.00 0.00 56.30 56.59 1h0t h ASN 11 Cb 0.08 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 1h0t h ASN 11 CO -0.02 0.87 0.28 0.00 -1.29 0.00 0.00 177.43 177.27 1h0t h ALA 12 N 0.58 0.71 0.46 1.57 0.00 0.26 0.32 119.26 123.16 1h0t h ALA 12 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1h0t h ALA 12 Cb 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1h0t h ALA 12 CO 0.05 0.26 -0.35 0.35 0.00 0.00 0.00 179.25 179.56 1h0t h PHE 13 N 0.75 -0.93 0.05 0.00 3.57 0.43 0.34 116.94 121.14 1h0t h PHE 13 Ca 0.19 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1h0t h PHE 13 Cb 0.10 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1h0t h PHE 13 CO -0.01 -0.51 -0.32 -0.92 -2.23 0.00 0.00 178.31 174.32 1h0t h TYR 14 N -0.80 -0.89 -0.67 0.41 3.20 -0.74 -0.14 116.97 117.35 1h0t h TYR 14 Ca -0.05 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1h0t h TYR 14 Cb 0.68 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 39.29 1h0t h TYR 14 CO -0.15 -0.42 0.40 0.93 -1.64 0.00 0.00 178.16 177.27 1h0t h GLU 15 N -0.51 0.73 -0.51 1.82 4.39 -0.21 0.43 114.58 120.72 1h0t h GLU 15 Ca 0.05 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1h0t h GLU 15 Cb 0.57 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.99 1h0t h GLU 15 CO -0.23 0.49 0.16 0.82 -1.16 0.00 0.00 179.01 179.08 1h0t h ILE 16 N 0.76 0.78 -0.42 3.13 2.04 0.29 0.25 117.51 124.34 1h0t h ILE 16 Ca 0.28 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.92 1h0t h ILE 16 Cb 0.09 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1h0t h ILE 16 CO -0.14 0.06 -0.19 -0.07 0.00 0.00 0.00 178.15 177.80 1h0t h LEU 17 N 0.32 0.83 -0.17 1.44 3.38 0.09 -3.05 115.31 118.15 1h0t h LEU 17 Ca 0.25 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1h0t h LEU 17 Cb 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1h0t h LEU 17 CO -0.28 1.01 -0.07 1.41 0.09 0.00 0.00 178.44 180.60 1h0t n HIS 18 N -4.12 0.00 -2.49 1.13 8.25 0.14 -4.82 115.22 113.31 1h0t n HIS 18 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 1h0t n HIS 18 Cb 0.42 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.44 4.22 0.30 2.41 1.43 0.79 -4.93 118.68 120.46 1h0t s LEU 19 Ca 0.31 1.69 0.24 0.00 -1.03 0.00 0.00 54.13 55.34 1h0t s LEU 19 Cb 0.20 -3.55 1.09 0.00 0.03 0.00 0.00 46.19 43.97 1h0t s LEU 19 CO 0.46 -0.65 1.71 -0.81 0.23 0.00 0.00 176.35 177.29 1h0t n PRO 20 N 5.86 0.18 -0.00 1.29 -0.04 -1.26 -3.46 135.00 137.57 1h0t n PRO 20 Ca 0.12 0.52 0.05 0.00 -0.04 0.00 0.00 63.50 64.15 1h0t n PRO 20 Cb 0.46 -1.93 -0.07 0.00 -0.04 0.00 0.00 33.50 31.92 1h0t n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1h0t n ASN 21 N -2.29 0.99 -0.16 3.54 2.85 -1.26 -4.58 115.26 114.34 1h0t n ASN 21 Ca 0.01 -0.57 -0.09 0.00 -0.11 0.00 0.00 54.58 53.82 1h0t n ASN 21 Cb 0.15 1.12 0.05 0.00 1.24 0.00 0.00 39.78 42.34 1h0t n ASN 21 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1h0t h LEU 22 N 0.00 0.96 0.00 1.20 3.38 -1.87 -3.46 115.31 115.52 1h0t h LEU 22 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1h0t h LEU 22 Cb 0.31 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1h0t h LEU 22 CO 0.00 1.08 0.00 -0.46 0.09 0.00 0.00 178.44 179.15 1h0t n ASN 23 N -4.15 -2.83 0.22 -0.43 0.23 -1.26 -1.55 115.26 105.50 1h0t n ASN 23 Ca 0.02 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.13 1h0t n ASN 23 Cb 0.39 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.61 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 0.00 0.49 -3.83 4.81 -1.97 -1.54 114.58 112.54 1h0t h GLU 24 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1h0t h GLU 24 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1h0t h GLU 24 CO 0.00 0.23 -0.24 1.49 -0.73 0.00 0.00 179.01 179.76 1h0t h GLU 25 N 0.00 -0.64 -0.11 1.92 4.81 -1.97 -2.77 114.58 115.81 1h0t h GLU 25 Ca -0.00 0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.08 1h0t h GLU 25 Cb 0.46 0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.00 1h0t h GLU 25 CO 0.03 -0.43 -0.67 1.96 -0.73 0.00 0.00 179.01 179.17 1h0t h GLN 26 N -1.04 0.65 0.11 1.92 1.08 -1.36 -2.77 115.11 113.70 1h0t h GLN 26 Ca -0.07 -0.55 0.00 0.00 -1.45 0.00 0.00 58.65 56.58 1h0t h GLN 26 Cb 0.51 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1h0t h GLN 26 CO 0.11 1.17 -0.09 -0.09 -0.95 0.00 0.00 178.83 178.98 1h0t h ARG 27 N 0.32 -0.20 -0.55 1.46 1.12 -1.28 -0.41 114.38 114.84 1h0t h ARG 27 Ca -0.05 0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.78 1h0t h ARG 27 Cb 1.32 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 31.30 1h0t h ARG 27 CO 0.14 -0.13 0.14 -0.97 -3.11 0.00 0.00 179.97 176.04 1h0t h ASN 28 N -0.20 0.83 -0.92 -3.80 -1.24 -1.60 -1.93 115.58 106.70 1h0t h ASN 28 Ca -0.00 -0.23 0.04 0.00 0.71 0.00 0.00 56.30 56.82 1h0t h ASN 28 Cb 0.19 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 38.97 1h0t h ASN 28 CO -0.01 0.84 0.61 0.00 -1.29 0.00 0.00 177.43 177.57 1h0t h ALA 29 N 1.02 1.42 -0.45 1.57 0.00 -1.33 -0.53 119.26 120.97 1h0t h ALA 29 Ca 0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1h0t h ALA 29 Cb 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1h0t h ALA 29 CO 0.00 0.48 0.04 0.74 0.00 0.00 0.00 179.25 180.50 1h0t h PHE 30 N 1.14 0.83 0.00 0.00 0.04 -0.70 -1.00 116.94 117.25 1h0t h PHE 30 Ca 0.37 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.98 1h0t h PHE 30 Cb 0.04 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 1h0t h PHE 30 CO -0.00 0.80 -0.14 0.82 -0.60 0.00 0.00 178.31 179.19 1h0t h ILE 31 N 0.63 0.90 -0.10 -0.55 2.04 -0.58 0.79 117.51 120.64 1h0t h ILE 31 Ca 0.13 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1h0t h ILE 31 Cb 0.44 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1h0t h ILE 31 CO 0.02 0.13 -0.15 1.56 0.00 0.00 0.00 178.15 179.71 1h0t h GLN 32 N 0.00 0.27 0.00 2.37 4.20 -0.18 0.59 115.11 122.37 1h0t h GLN 32 Ca -0.00 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 1h0t h GLN 32 Cb 0.28 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1h0t h GLN 32 CO 0.02 0.73 -0.45 0.66 -0.67 0.00 0.00 178.83 179.12 1h0t h SER 33 N -0.16 0.00 0.07 1.46 4.64 -0.68 -3.04 113.55 115.84 1h0t h SER 33 Ca 0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 1h0t h SER 33 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1h0t h SER 33 CO 0.03 0.45 -0.64 0.25 -0.87 0.00 0.00 176.83 176.06 1h0t h LEU 34 N 0.00 0.22 -1.55 5.97 5.85 0.61 -0.75 115.31 125.66 1h0t h LEU 34 Ca -0.00 -0.91 -0.05 0.00 0.84 0.00 0.00 57.88 57.76 1h0t h LEU 34 Cb 1.05 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1h0t h LEU 34 CO 0.06 1.29 -0.23 0.11 -0.34 0.00 0.00 178.44 179.33 1h0t h LYS 35 N -0.67 0.00 0.05 1.25 1.57 -0.97 -3.10 116.57 114.69 1h0t h LYS 35 Ca -0.13 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.31 1h0t h LYS 35 Cb 1.38 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.65 1h0t h LYS 35 CO 0.04 0.23 -1.92 -0.25 -0.57 0.00 0.00 179.45 176.98 1h0t n ASP 36 N -4.20 1.36 -4.10 0.86 8.00 -1.15 -4.78 116.55 112.55 1h0t n ASP 36 Ca -0.02 0.27 -0.35 0.00 0.71 0.00 0.00 54.79 55.40 1h0t n ASP 36 Cb 0.29 -0.31 -0.13 0.00 -0.02 0.00 0.00 41.12 40.95 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 -6.44 5.09 0.15 -2.24 -1.08 -0.29 -4.97 116.67 106.90 1h0t s ASP 37 Ca -0.14 -1.99 -0.10 0.00 -0.52 0.00 0.00 52.55 49.80 1h0t s ASP 37 Cb 0.07 -1.77 -0.03 0.00 -1.46 0.00 0.00 42.92 39.74 1h0t s ASP 37 CO 0.79 -0.47 1.49 1.55 0.52 0.00 0.00 175.17 179.04 1h0t h PRO 38 N 7.93 0.93 -0.36 4.34 0.13 -1.83 -3.20 132.00 139.94 1h0t h PRO 38 Ca -0.11 -0.48 -0.09 0.00 -0.87 0.00 0.00 66.00 64.44 1h0t h PRO 38 Cb 1.04 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1h0t h PRO 38 CO 0.64 1.14 -0.14 1.03 -0.23 0.00 0.00 178.00 180.43 1h0t h SER 39 N 0.76 0.64 -0.00 1.44 0.87 -1.93 -2.72 113.55 112.61 1h0t h SER 39 Ca 0.06 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1h0t h SER 39 Cb 0.97 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1h0t h SER 39 CO 0.09 0.80 0.00 1.67 -0.53 0.00 0.00 176.83 178.86 1h0t n GLN 40 N -4.16 1.05 -0.12 2.24 7.27 -1.22 -4.29 117.38 118.14 1h0t n GLN 40 Ca 0.01 -0.08 -0.05 0.00 0.07 0.00 0.00 57.00 56.96 1h0t n GLN 40 Cb 0.36 -1.47 0.03 0.00 2.41 0.00 0.00 30.24 31.57 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 0.18 -0.00 -0.25 1.69 4.64 -1.47 0.57 113.55 118.91 1h0t h SER 41 Ca 0.00 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1h0t h SER 41 Cb 0.04 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1h0t h SER 41 CO 0.00 0.04 0.13 0.00 -0.87 0.00 0.00 176.83 176.13 1h0t h ALA 42 N 1.31 0.32 -0.83 5.18 0.00 -1.82 0.54 119.26 123.95 1h0t h ALA 42 Ca 0.19 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1h0t h ALA 42 Cb 0.24 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1h0t h ALA 42 CO -0.26 -0.14 0.54 -0.91 0.00 0.00 0.00 179.25 178.48 1h0t h ASN 43 N 0.28 0.82 -0.54 0.00 -0.26 -1.72 0.32 115.58 114.48 1h0t h ASN 43 Ca 0.09 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.80 1h0t h ASN 43 Cb 0.08 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1h0t h ASN 43 CO -0.01 0.53 0.21 -0.07 -1.06 0.00 0.00 177.43 177.02 1h0t h LEU 44 N 0.93 0.75 -0.06 1.61 3.38 0.11 0.71 115.31 122.73 1h0t h LEU 44 Ca 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1h0t h LEU 44 Cb 0.19 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1h0t h LEU 44 CO -0.12 0.73 -0.01 0.25 0.09 0.00 0.00 178.44 179.38 1h0t h LEU 45 N 0.74 0.12 -0.72 1.67 5.85 0.20 0.16 115.31 123.33 1h0t h LEU 45 Ca 0.18 -0.34 0.12 0.00 0.84 0.00 0.00 57.88 58.67 1h0t h LEU 45 Cb 0.22 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 1h0t h LEU 45 CO -0.01 0.43 0.30 0.00 -0.34 0.00 0.00 178.44 178.82 1h0t h ALA 46 N 0.69 0.99 -0.23 1.25 0.00 0.10 1.13 119.26 123.18 1h0t h ALA 46 Ca 0.02 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1h0t h ALA 46 Cb 0.38 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1h0t h ALA 46 CO 0.00 -0.16 -0.40 1.05 0.00 0.00 0.00 179.25 179.74 1h0t h GLU 47 N 0.48 0.54 -0.54 0.00 4.11 0.56 0.81 114.58 120.54 1h0t h GLU 47 Ca 0.38 -0.27 -0.10 0.00 0.07 0.00 0.00 59.36 59.44 1h0t h GLU 47 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1h0t h GLU 47 CO -0.35 0.85 -0.05 0.00 0.07 0.00 0.00 179.01 179.54 1h0t h ALA 48 N 1.12 0.89 -0.59 1.06 0.00 0.16 0.51 119.26 122.40 1h0t h ALA 48 Ca 0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1h0t h ALA 48 Cb 0.90 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1h0t h ALA 48 CO 0.08 0.65 0.10 0.87 0.00 0.00 0.00 179.25 180.95 1h0t h LYS 49 N 0.88 0.98 -0.84 0.00 1.79 0.17 0.16 116.57 119.71 1h0t h LYS 49 Ca 0.15 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 1h0t h LYS 49 Cb 0.58 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 1h0t h LYS 49 CO 0.04 0.92 0.41 -0.22 -1.08 0.00 0.00 179.45 179.52 1h0t h LYS 50 N 0.88 1.20 -0.28 3.15 3.64 0.11 -1.76 116.57 123.51 1h0t h LYS 50 Ca 0.18 -0.17 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 1h0t h LYS 50 Cb 0.41 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1h0t h LYS 50 CO 0.01 0.91 -0.54 -0.07 -2.27 0.00 0.00 179.45 177.50 1h0t h LEU 51 N 1.19 0.96 -0.84 5.20 4.07 0.67 0.57 115.31 127.13 1h0t h LEU 51 Ca 0.29 -0.54 0.01 0.00 0.08 0.00 0.00 57.88 57.72 1h0t h LEU 51 Cb 0.11 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.53 1h0t h LEU 51 CO -0.04 1.31 0.56 -1.13 -1.08 0.00 0.00 178.44 178.07 1h0t h ASN 52 N 0.64 0.97 0.22 -0.43 -1.24 -0.33 0.16 115.58 115.56 1h0t h ASN 52 Ca 0.01 -0.02 -0.33 0.00 0.71 0.00 0.00 56.30 56.67 1h0t h ASN 52 Cb 1.15 -0.24 0.03 0.00 0.73 0.00 0.00 38.32 39.98 1h0t h ASN 52 CO 0.12 0.70 -1.53 0.44 -1.29 0.00 0.00 177.43 175.87 1h0t h ASP 53 N 1.14 0.72 -0.32 1.15 3.32 -1.31 -2.03 116.42 119.09 1h0t h ASP 53 Ca 0.31 -0.93 -0.07 0.00 0.02 0.00 0.00 57.03 56.36 1h0t h ASP 53 Cb -0.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 1h0t h ASP 53 CO -0.07 1.72 -0.09 0.00 -1.72 0.00 0.00 179.24 179.08 1h0t h ALA 54 N 0.12 0.44 -0.00 3.45 0.00 -0.81 -2.84 119.26 119.61 1h0t h ALA 54 Ca -0.29 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1h0t h ALA 54 Cb 2.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1h0t h ALA 54 CO 0.22 0.28 -0.12 1.04 0.00 0.00 0.00 179.25 180.67 1h0t n GLN 55 N -4.45 0.51 -1.32 0.00 6.02 0.55 -4.93 117.38 113.76 1h0t n GLN 55 Ca -0.03 -0.15 -0.35 0.00 -0.01 0.00 0.00 57.00 56.46 1h0t n GLN 55 Cb 0.33 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.20 1h0t n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h0t n ALA 56 N -1.11 0.18 -1.78 -1.58 0.00 -0.76 -4.98 120.51 110.48 1h0t n ALA 56 Ca 0.13 -0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 1h0t n ALA 56 Cb 0.29 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 1h0t n ALA 56 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1h0t s PRO 57 N -3.71 3.71 0.00 0.00 0.04 -1.26 -5.02 135.00 128.75 1h0t s PRO 57 Ca 0.76 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1h0t s PRO 57 Cb -0.33 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1h0t s PRO 57 CO 0.48 -0.53 0.00 1.17 0.04 0.00 0.00 177.00 178.16