#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 -0.20 0.00 4.52 1.47 -1.26 -5.05 116.67 116.16 1h0t s ASP 2 Ca 0.00 -0.47 0.27 0.00 1.18 0.00 0.00 52.55 53.53 1h0t s ASP 2 Cb 0.00 0.51 0.83 0.00 -0.34 0.00 0.00 42.92 43.91 1h0t s ASP 2 CO 0.00 -0.93 1.62 0.59 0.68 0.00 0.00 175.17 177.12 1h0t n ASN 3 N -0.26 1.89 0.31 2.11 4.13 -1.26 -4.45 115.26 117.72 1h0t n ASN 3 Ca -0.12 -1.63 -0.12 0.00 1.68 0.00 0.00 54.58 54.38 1h0t n ASN 3 Cb 0.63 -0.01 -0.06 0.00 -1.54 0.00 0.00 39.78 38.81 1h0t n ASN 3 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1h0t h LYS 4 N 2.94 -0.77 -0.12 3.52 3.64 -2.00 -3.20 116.57 120.58 1h0t h LYS 4 Ca 0.00 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1h0t h LYS 4 Cb 0.63 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1h0t h LYS 4 CO 0.00 -0.52 0.12 0.74 -2.27 0.00 0.00 179.45 177.53 1h0t h PHE 5 N -1.04 0.00 0.15 1.91 0.04 -1.91 0.36 116.94 116.46 1h0t h PHE 5 Ca -0.08 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.70 1h0t h PHE 5 Cb 0.62 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 1h0t h PHE 5 CO 0.03 0.00 -0.23 -0.91 -0.60 0.00 0.00 178.31 176.60 1h0t h ASN 6 N 0.00 -0.63 0.31 2.17 4.21 -1.78 -2.88 115.58 116.99 1h0t h ASN 6 Ca 0.06 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1h0t h ASN 6 Cb 0.30 0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1h0t h ASN 6 CO -0.00 -0.32 -0.74 1.17 -1.29 0.00 0.00 177.43 176.25 1h0t n LYS 7 N -5.35 0.03 -0.19 0.81 0.00 -1.07 -3.96 118.16 108.44 1h0t n LYS 7 Ca -0.07 -0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.16 1h0t n LYS 7 Cb 0.26 -1.51 0.06 0.00 0.00 0.00 0.00 35.03 33.84 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 1.01 -0.60 1.64 4.39 -0.80 0.74 114.58 120.95 1h0t h GLU 8 Ca 0.00 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.35 1h0t h GLU 8 Cb 0.53 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1h0t h GLU 8 CO 0.00 0.99 0.19 1.96 -1.16 0.00 0.00 179.01 180.98 1h0t h GLN 9 N 0.93 0.91 -0.05 2.33 4.20 -1.66 0.59 115.11 122.36 1h0t h GLN 9 Ca 0.17 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1h0t h GLN 9 Cb 0.53 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1h0t h GLN 9 CO 0.03 0.79 0.00 0.37 -0.67 0.00 0.00 178.83 179.35 1h0t h GLN 10 N 0.89 0.09 -0.23 1.46 5.75 -1.33 0.26 115.11 122.00 1h0t h GLN 10 Ca 0.20 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.60 1h0t h GLN 10 Cb 0.26 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 1h0t h GLN 10 CO -0.01 0.36 -0.15 -0.97 -2.65 0.00 0.00 178.83 175.41 1h0t h ASN 11 N -0.19 0.53 -0.63 -0.69 -1.24 0.68 -0.19 115.58 113.84 1h0t h ASN 11 Ca 0.01 -0.43 -0.03 0.00 0.71 0.00 0.00 56.30 56.56 1h0t h ASN 11 Cb 0.31 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 1h0t h ASN 11 CO 0.00 0.85 0.27 0.00 -1.29 0.00 0.00 177.43 177.26 1h0t h ALA 12 N 0.70 0.82 0.61 1.57 0.00 0.16 0.32 119.26 123.44 1h0t h ALA 12 Ca 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1h0t h ALA 12 Cb 0.67 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1h0t h ALA 12 CO 0.04 0.42 -0.36 0.35 0.00 0.00 0.00 179.25 179.70 1h0t h PHE 13 N 0.88 -0.94 -0.13 0.00 3.57 -0.39 0.31 116.94 120.24 1h0t h PHE 13 Ca 0.21 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.75 1h0t h PHE 13 Cb 0.18 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1h0t h PHE 13 CO 0.01 -0.55 -0.22 -0.92 -2.23 0.00 0.00 178.31 174.40 1h0t h TYR 14 N -0.91 -0.57 -0.65 0.41 3.20 -0.80 -0.96 116.97 116.69 1h0t h TYR 14 Ca -0.08 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1h0t h TYR 14 Cb 0.73 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 1h0t h TYR 14 CO -0.08 -0.30 0.43 0.93 -1.64 0.00 0.00 178.16 177.49 1h0t h GLU 15 N -0.28 0.86 -0.58 1.82 5.08 -0.21 0.49 114.58 121.76 1h0t h GLU 15 Ca 0.10 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 1h0t h GLU 15 Cb 0.42 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 1h0t h GLU 15 CO -0.29 0.57 0.19 0.82 -1.00 0.00 0.00 179.01 179.30 1h0t h ILE 16 N 0.88 0.74 -0.36 3.13 2.04 0.25 0.39 117.51 124.58 1h0t h ILE 16 Ca 0.24 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.83 1h0t h ILE 16 Cb -0.09 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1h0t h ILE 16 CO -0.05 0.06 -0.36 -0.07 0.00 0.00 0.00 178.15 177.74 1h0t h LEU 17 N 0.35 0.89 -0.41 1.44 3.38 -0.35 -3.19 115.31 117.42 1h0t h LEU 17 Ca 0.30 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1h0t h LEU 17 Cb 0.38 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1h0t h LEU 17 CO -0.32 1.15 -0.06 1.41 0.09 0.00 0.00 178.44 180.71 1h0t n HIS 18 N -4.06 0.00 -2.07 1.13 8.25 0.16 -4.89 115.22 113.75 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 0.52 -0.08 -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 -2.21 4.36 0.42 2.41 1.43 0.13 -4.90 118.68 120.31 1h0t s LEU 19 Ca 0.36 2.37 0.29 0.00 -1.03 0.00 0.00 54.13 56.13 1h0t s LEU 19 Cb 0.21 -3.57 1.46 0.00 0.03 0.00 0.00 46.19 44.32 1h0t s LEU 19 CO 0.41 -0.77 1.88 1.55 0.23 0.00 0.00 176.35 179.65 1h0t h PRO 20 N 7.51 0.00 0.00 1.29 0.13 -1.90 -3.01 132.00 136.03 1h0t h PRO 20 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 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 -2.55 2.04 -4.77 1.44 3.02 -1.26 -5.02 115.26 108.15 1h0t n ASN 21 Ca -0.01 -2.23 -0.38 0.00 -0.03 0.00 0.00 54.58 51.93 1h0t n ASN 21 Cb 0.12 -0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.40 4.41 0.00 3.41 1.43 -1.14 -4.71 118.68 120.67 1h0t s LEU 22 Ca 0.07 1.05 0.06 0.00 -1.03 0.00 0.00 54.13 54.29 1h0t s LEU 22 Cb 0.06 -2.80 0.06 0.00 0.03 0.00 0.00 46.19 43.55 1h0t s LEU 22 CO 0.01 0.14 0.53 -0.46 0.23 0.00 0.00 176.35 176.80 1h0t n ASN 23 N 2.66 2.00 -0.13 2.29 0.23 -1.26 -4.81 115.26 116.23 1h0t n ASN 23 Ca -0.09 -2.36 -0.00 0.00 -0.53 0.00 0.00 54.58 51.60 1h0t n ASN 23 Cb 0.51 -0.22 0.26 0.00 -2.08 0.00 0.00 39.78 38.25 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 0.82 -0.13 -3.83 4.81 -1.98 0.21 114.58 114.49 1h0t h GLU 24 Ca -0.24 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 58.86 1h0t h GLU 24 Cb 1.02 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 1h0t h GLU 24 CO 0.37 0.63 -0.01 1.49 -0.73 0.00 0.00 179.01 180.76 1h0t h GLU 25 N 0.82 0.23 0.06 1.92 4.22 -1.98 -1.31 114.58 118.55 1h0t h GLU 25 Ca 0.21 -0.08 -0.00 0.00 0.08 0.00 0.00 59.36 59.56 1h0t h GLU 25 Cb 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1h0t h GLU 25 CO -0.03 0.49 -0.03 1.96 -2.18 0.00 0.00 179.01 179.23 1h0t h GLN 26 N -0.05 -0.08 -0.22 1.92 1.08 -1.89 -2.64 115.11 113.23 1h0t h GLN 26 Ca 0.03 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1h0t h GLN 26 Cb 0.40 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1h0t h GLN 26 CO 0.01 0.49 0.13 -0.09 -0.95 0.00 0.00 178.83 178.41 1h0t h ARG 27 N -0.72 0.30 -0.37 1.46 2.43 -0.69 -1.94 114.38 114.84 1h0t h ARG 27 Ca -0.01 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1h0t h ARG 27 Cb 0.60 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1h0t h ARG 27 CO 0.01 0.26 -0.01 -0.97 -1.51 0.00 0.00 179.97 177.76 1h0t h ASN 28 N 0.25 0.66 -0.87 -3.80 -1.24 -1.36 -1.45 115.58 107.77 1h0t h ASN 28 Ca 0.08 -0.31 0.05 0.00 0.71 0.00 0.00 56.30 56.82 1h0t h ASN 28 Cb 0.05 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 38.87 1h0t h ASN 28 CO -0.01 0.81 0.57 0.00 -1.29 0.00 0.00 177.43 177.50 1h0t h ALA 29 N 0.87 1.50 -0.39 1.57 0.00 -1.43 0.74 119.26 122.12 1h0t h ALA 29 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1h0t h ALA 29 Cb 0.48 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1h0t h ALA 29 CO 0.02 0.39 0.14 0.74 0.00 0.00 0.00 179.25 180.54 1h0t h PHE 30 N 1.03 0.61 0.00 0.00 0.04 -1.04 0.31 116.94 117.89 1h0t h PHE 30 Ca 0.36 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 61.05 1h0t h PHE 30 Cb 0.12 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.08 1h0t h PHE 30 CO -0.00 0.57 -0.12 0.82 -0.60 0.00 0.00 178.31 178.97 1h0t h ILE 31 N 0.48 0.97 -0.02 -0.55 2.04 -0.12 0.76 117.51 121.08 1h0t h ILE 31 Ca 0.13 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1h0t h ILE 31 Cb 0.23 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1h0t h ILE 31 CO -0.01 0.12 -0.08 1.56 0.00 0.00 0.00 178.15 179.74 1h0t h GLN 32 N 0.00 0.09 0.00 2.37 4.20 0.14 0.98 115.11 122.89 1h0t h GLN 32 Ca -0.00 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1h0t h GLN 32 Cb 0.23 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1h0t h GLN 32 CO 0.02 0.71 -0.35 0.66 -0.67 0.00 0.00 178.83 179.19 1h0t h SER 33 N -0.51 0.00 0.10 1.46 4.64 -0.55 -2.30 113.55 116.39 1h0t h SER 33 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1h0t h SER 33 Cb 0.72 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1h0t h SER 33 CO 0.02 0.35 -0.65 0.25 -0.87 0.00 0.00 176.83 175.93 1h0t h LEU 34 N 0.00 0.32 -0.83 5.97 5.85 0.53 -1.11 115.31 126.04 1h0t h LEU 34 Ca -0.00 -0.95 -0.11 0.00 0.84 0.00 0.00 57.88 57.66 1h0t h LEU 34 Cb 0.69 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1h0t h LEU 34 CO 0.05 1.31 -0.26 0.11 -0.34 0.00 0.00 178.44 179.30 1h0t h LYS 35 N -0.55 0.58 0.16 1.25 1.57 -0.82 -3.23 116.57 115.53 1h0t h LYS 35 Ca -0.12 -0.23 -0.32 0.00 -1.87 0.00 0.00 60.65 58.10 1h0t h LYS 35 Cb 1.47 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1h0t h LYS 35 CO 0.09 0.79 -1.58 -0.44 -0.57 0.00 0.00 179.45 177.74 1h0t h ASP 36 N 0.50 0.52 -3.69 0.86 3.32 -1.54 -3.43 116.42 112.96 1h0t h ASP 36 Ca 0.07 -0.71 -0.68 0.00 0.02 0.00 0.00 57.03 55.74 1h0t h ASP 36 Cb 0.72 -0.17 -0.36 0.00 0.22 0.00 0.00 39.33 39.74 1h0t h ASP 36 CO 0.06 1.58 -0.68 -0.62 -1.72 0.00 0.00 179.24 177.86 1h0t s ASP 37 N -7.17 4.89 0.14 6.45 -1.08 -0.42 -4.99 116.67 114.50 1h0t s ASP 37 Ca -0.11 -1.71 -0.10 0.00 -0.52 0.00 0.00 52.55 50.11 1h0t s ASP 37 Cb 0.06 -1.70 -0.04 0.00 -1.46 0.00 0.00 42.92 39.78 1h0t s ASP 37 CO 0.87 -0.35 1.46 1.55 0.52 0.00 0.00 175.17 179.22 1h0t h PRO 38 N 7.88 0.91 -0.42 4.34 0.13 -1.82 -3.29 132.00 139.73 1h0t h PRO 38 Ca -0.15 -0.50 -0.06 0.00 -0.87 0.00 0.00 66.00 64.42 1h0t h PRO 38 Cb 1.04 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1h0t h PRO 38 CO 0.56 1.15 0.03 0.77 -0.23 0.00 0.00 178.00 180.28 1h0t h SER 39 N 0.73 0.63 -0.05 1.44 0.02 -1.93 -2.58 113.55 111.80 1h0t h SER 39 Ca 0.05 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1h0t h SER 39 Cb 1.03 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1h0t h SER 39 CO 0.10 0.68 0.00 1.67 -1.14 0.00 0.00 176.83 178.14 1h0t n GLN 40 N -4.26 1.25 -0.12 3.45 -0.06 -1.24 -4.32 117.38 112.08 1h0t n GLN 40 Ca 0.02 -0.37 -0.05 0.00 -2.00 0.00 0.00 57.00 54.60 1h0t n GLN 40 Cb 0.26 -1.35 0.03 0.00 -4.06 0.00 0.00 30.24 25.12 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 0.78 0.10 -0.28 1.69 4.64 -1.53 0.43 113.55 119.38 1h0t h SER 41 Ca 0.00 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1h0t h SER 41 Cb 0.17 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1h0t h SER 41 CO 0.00 0.09 0.16 0.00 -0.87 0.00 0.00 176.83 176.21 1h0t h ALA 42 N 1.27 0.35 -0.83 5.18 0.00 -1.82 -0.27 119.26 123.14 1h0t h ALA 42 Ca 0.18 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1h0t h ALA 42 Cb 0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1h0t h ALA 42 CO -0.21 -0.13 0.54 -0.91 0.00 0.00 0.00 179.25 178.54 1h0t h ASN 43 N 0.34 0.80 -0.62 0.00 4.21 -1.71 0.34 115.58 118.93 1h0t h ASN 43 Ca 0.10 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.56 1h0t h ASN 43 Cb 0.03 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.04 1h0t h ASN 43 CO -0.02 0.51 0.17 -0.07 -1.29 0.00 0.00 177.43 176.74 1h0t h LEU 44 N 0.91 0.93 -0.29 1.61 3.38 0.76 0.67 115.31 123.28 1h0t h LEU 44 Ca 0.36 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1h0t h LEU 44 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1h0t h LEU 44 CO -0.13 0.90 -0.20 0.25 0.09 0.00 0.00 178.44 179.35 1h0t h LEU 45 N 0.91 0.68 -0.43 1.67 5.85 0.09 0.33 115.31 124.40 1h0t h LEU 45 Ca 0.20 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1h0t h LEU 45 Cb 0.32 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1h0t h LEU 45 CO -0.00 0.98 0.18 0.00 -0.34 0.00 0.00 178.44 179.25 1h0t h ALA 46 N 0.73 0.52 -0.24 1.25 0.00 0.20 0.89 119.26 122.62 1h0t h ALA 46 Ca 0.06 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1h0t h ALA 46 Cb 0.75 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1h0t h ALA 46 CO 0.06 -0.20 -0.36 1.05 0.00 0.00 0.00 179.25 179.80 1h0t h GLU 47 N 0.36 0.53 -0.59 0.00 4.11 0.45 0.74 114.58 120.19 1h0t h GLU 47 Ca 0.20 -0.25 -0.08 0.00 0.07 0.00 0.00 59.36 59.30 1h0t h GLU 47 Cb 0.16 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1h0t h GLU 47 CO -0.18 0.82 0.05 0.00 0.07 0.00 0.00 179.01 179.77 1h0t h ALA 48 N 1.16 0.98 -0.47 1.06 0.00 0.66 0.51 119.26 123.18 1h0t h ALA 48 Ca 0.05 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1h0t h ALA 48 Cb 0.83 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1h0t h ALA 48 CO 0.07 0.63 -0.22 0.87 0.00 0.00 0.00 179.25 180.60 1h0t h LYS 49 N 0.91 0.96 -0.88 0.00 1.57 0.13 0.17 116.57 119.43 1h0t h LYS 49 Ca 0.18 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1h0t h LYS 49 Cb 0.46 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 1h0t h LYS 49 CO 0.02 1.07 0.53 -0.22 -0.57 0.00 0.00 179.45 180.28 1h0t h LYS 50 N 0.83 1.20 -0.16 3.15 3.64 0.10 -1.76 116.57 123.56 1h0t h LYS 50 Ca 0.11 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1h0t h LYS 50 Cb 0.79 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1h0t h LYS 50 CO 0.07 0.84 -0.63 -0.07 -2.27 0.00 0.00 179.45 177.39 1h0t h LEU 51 N 1.22 0.65 -0.81 5.20 4.07 0.55 -1.75 115.31 124.44 1h0t h LEU 51 Ca 0.32 -0.38 0.06 0.00 0.08 0.00 0.00 57.88 57.96 1h0t h LEU 51 Cb -0.05 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 41.44 1h0t h LEU 51 CO -0.06 1.12 0.49 -1.13 -1.08 0.00 0.00 178.44 177.78 1h0t h ASN 52 N 0.42 0.76 0.23 -0.43 -1.24 0.18 0.30 115.58 115.80 1h0t h ASN 52 Ca -0.01 0.02 -0.34 0.00 0.71 0.00 0.00 56.30 56.68 1h0t h ASN 52 Cb 1.20 -0.13 0.03 0.00 0.73 0.00 0.00 38.32 40.14 1h0t h ASN 52 CO 0.12 0.48 -1.58 0.44 -1.29 0.00 0.00 177.43 175.60 1h0t h ASP 53 N 0.89 0.74 0.11 1.15 3.32 -1.40 -2.31 116.42 118.92 1h0t h ASP 53 Ca 0.36 -0.93 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 1h0t h ASP 53 Cb 0.19 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1h0t h ASP 53 CO -0.18 1.74 -0.05 0.00 -1.72 0.00 0.00 179.24 179.02 1h0t h ALA 54 N 0.13 -0.15 0.00 3.45 0.00 -1.13 -2.99 119.26 118.57 1h0t h ALA 54 Ca -0.29 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1h0t h ALA 54 Cb 2.12 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 1h0t h ALA 54 CO 0.23 -0.42 -0.24 1.96 0.00 0.00 0.00 179.25 180.79 1h0t h GLN 55 N -0.48 0.00 -6.84 0.00 4.20 -0.57 -3.45 115.11 107.97 1h0t h GLN 55 Ca -0.02 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 1h0t h GLN 55 Cb 0.39 0.00 0.18 0.00 0.30 0.00 0.00 27.48 28.35 1h0t h GLN 55 CO 0.03 0.24 -0.04 0.00 -0.67 0.00 0.00 178.83 178.38 1h0t n ALA 56 N -2.30 -0.54 -1.77 3.87 0.00 -0.87 -4.94 120.51 113.96 1h0t n ALA 56 Ca -0.01 -0.17 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 1h0t n ALA 56 Cb 0.36 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.76 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 -3.06 3.93 0.00 0.00 0.04 -1.26 -4.99 135.00 129.66 1h0t s PRO 57 Ca 0.72 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1h0t s PRO 57 Cb -0.36 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1h0t s PRO 57 CO 0.52 -0.42 0.16 1.63 0.04 0.00 0.00 177.00 178.93