#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 3.04 -4.68 6.55 5.75 -1.26 -4.93 116.55 121.02 1h0t n ASP 2 Ca 0.00 -2.17 -0.42 0.00 -0.01 0.00 0.00 54.79 52.19 1h0t n ASP 2 Cb 0.00 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.66 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 -0.87 6.98 0.30 -1.12 3.84 -1.26 -4.93 114.94 117.88 1h0t s ASN 3 Ca 0.34 1.84 0.00 0.00 0.21 0.00 0.00 52.86 55.25 1h0t s ASN 3 Cb 0.20 -2.55 0.47 0.00 -0.55 0.00 0.00 41.25 38.82 1h0t s ASN 3 CO 0.19 -0.66 1.86 0.07 -2.79 0.00 0.00 177.10 175.77 1h0t h LYS 4 N 7.78 0.77 0.00 0.43 2.10 -2.01 -2.74 116.57 122.89 1h0t h LYS 4 Ca -0.33 -0.14 -0.04 0.00 -2.00 0.00 0.00 60.65 58.14 1h0t h LYS 4 Cb 1.15 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.35 1h0t h LYS 4 CO 0.91 0.68 -0.18 0.74 -2.00 0.00 0.00 179.45 179.61 1h0t h PHE 5 N 0.75 0.00 -0.37 0.07 0.04 -1.91 -2.41 116.94 113.11 1h0t h PHE 5 Ca 0.17 0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.02 1h0t h PHE 5 Cb 0.25 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.33 1h0t h PHE 5 CO 0.01 0.18 -0.11 -0.97 -0.60 0.00 0.00 178.31 176.82 1h0t h ASN 6 N 0.00 -0.41 0.88 2.17 -0.73 -1.82 0.06 115.58 115.73 1h0t h ASN 6 Ca -0.00 0.12 -0.20 0.00 1.87 0.00 0.00 56.30 58.09 1h0t h ASN 6 Cb 0.35 0.25 -0.03 0.00 0.27 0.00 0.00 38.32 39.16 1h0t h ASN 6 CO 0.02 -0.15 -1.21 0.50 -0.37 0.00 0.00 177.43 176.23 1h0t h LYS 7 N -0.03 0.00 -0.86 6.67 3.64 -1.72 -2.95 116.57 121.32 1h0t h LYS 7 Ca 0.18 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1h0t h LYS 7 Cb 0.30 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1h0t h LYS 7 CO -0.40 0.56 0.55 0.93 -2.27 0.00 0.00 179.45 178.83 1h0t h GLU 8 N 0.00 1.04 -0.57 1.90 5.08 -1.00 1.16 114.58 122.19 1h0t h GLU 8 Ca -0.13 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1h0t h GLU 8 Cb 1.70 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1h0t h GLU 8 CO 0.08 0.69 0.13 1.96 -1.00 0.00 0.00 179.01 180.87 1h0t h GLN 9 N 1.07 0.92 -0.52 2.33 4.20 -1.08 0.38 115.11 122.42 1h0t h GLN 9 Ca 0.34 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1h0t h GLN 9 Cb 0.01 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1h0t h GLN 9 CO -0.12 0.86 0.29 0.37 -0.67 0.00 0.00 178.83 179.56 1h0t h GLN 10 N 0.83 0.73 -0.08 1.46 5.75 -0.73 0.62 115.11 123.68 1h0t h GLN 10 Ca 0.18 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.54 1h0t h GLN 10 Cb 0.36 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1h0t h GLN 10 CO 0.00 0.56 -0.18 -0.97 -2.65 0.00 0.00 178.83 175.59 1h0t h ASN 11 N 0.70 0.30 -0.60 -0.69 -1.24 0.15 -0.24 115.58 113.97 1h0t h ASN 11 Ca 0.19 -0.58 -0.02 0.00 0.71 0.00 0.00 56.30 56.60 1h0t h ASN 11 Cb 0.04 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 1h0t h ASN 11 CO -0.03 0.82 0.29 0.00 -1.29 0.00 0.00 177.43 177.22 1h0t h ALA 12 N 0.49 0.77 0.50 1.57 0.00 -0.14 0.30 119.26 122.75 1h0t h ALA 12 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1h0t h ALA 12 Cb 0.78 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1h0t h ALA 12 CO 0.04 0.33 -0.35 0.35 0.00 0.00 0.00 179.25 179.63 1h0t h PHE 13 N 0.81 -0.92 -0.10 0.00 3.57 0.24 0.31 116.94 120.86 1h0t h PHE 13 Ca 0.20 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1h0t h PHE 13 Cb 0.12 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 1h0t h PHE 13 CO -0.00 -0.52 -0.33 -0.92 -2.23 0.00 0.00 178.31 174.31 1h0t h TYR 14 N -0.82 -0.92 -0.65 0.41 3.20 -0.76 -0.41 116.97 117.01 1h0t h TYR 14 Ca -0.06 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.87 1h0t h TYR 14 Cb 0.69 0.42 -0.04 0.00 1.54 0.00 0.00 36.73 39.34 1h0t h TYR 14 CO -0.13 -0.41 0.41 0.93 -1.64 0.00 0.00 178.16 177.32 1h0t h GLU 15 N -0.43 0.79 -0.55 1.82 4.39 -0.23 0.29 114.58 120.65 1h0t h GLU 15 Ca 0.08 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.83 1h0t h GLU 15 Cb 0.56 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1h0t h GLU 15 CO -0.34 0.52 0.16 0.82 -1.16 0.00 0.00 179.01 179.01 1h0t h ILE 16 N 0.82 0.74 -0.45 3.13 2.04 0.38 0.25 117.51 124.41 1h0t h ILE 16 Ca 0.25 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.92 1h0t h ILE 16 Cb -0.02 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1h0t h ILE 16 CO -0.09 0.06 -0.07 -0.07 0.00 0.00 0.00 178.15 177.98 1h0t h LEU 17 N 0.31 0.85 -0.87 1.44 3.38 -0.28 -3.14 115.31 116.98 1h0t h LEU 17 Ca 0.28 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1h0t h LEU 17 Cb 0.36 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1h0t h LEU 17 CO -0.32 0.99 -0.06 0.45 0.09 0.00 0.00 178.44 179.59 1h0t h HIS 18 N 0.68 0.00 -2.21 1.13 3.86 0.49 -3.45 115.15 115.66 1h0t h HIS 18 Ca 0.12 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.76 1h0t h HIS 18 Cb 0.60 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.10 1h0t h HIS 18 CO 0.05 0.06 1.15 1.28 0.86 0.00 0.00 177.93 181.33 1h0t n LEU 19 N -3.15 3.80 0.30 2.43 4.77 0.80 -4.86 117.00 121.09 1h0t n LEU 19 Ca 0.02 0.95 0.19 0.00 -0.03 0.00 0.00 56.01 57.13 1h0t n LEU 19 Cb 0.42 -1.45 0.94 0.00 -2.33 0.00 0.00 43.42 41.00 1h0t n LEU 19 CO 0.31 0.07 1.08 1.55 -1.33 0.00 0.00 177.39 179.07 1h0t h PRO 20 N 9.68 0.00 -0.33 3.23 0.13 -1.91 -2.86 132.00 139.95 1h0t h PRO 20 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1h0t h PRO 20 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1h0t h PRO 20 CO 0.94 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.83 1h0t n ASN 21 N -3.21 2.93 -4.80 1.44 3.02 -1.26 -4.97 115.26 108.41 1h0t n ASN 21 Ca -0.02 -1.89 -0.39 0.00 -0.03 0.00 0.00 54.58 52.26 1h0t n ASN 21 Cb 0.18 -0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.06 4.54 0.00 3.41 1.43 -1.08 -4.76 118.68 121.15 1h0t s LEU 22 Ca 0.27 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.76 1h0t s LEU 22 Cb 0.15 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 43.35 1h0t s LEU 22 CO 0.20 0.25 0.16 -0.46 0.23 0.00 0.00 176.35 176.73 1h0t n ASN 23 N 1.64 2.54 -0.07 2.29 0.23 -1.26 -4.82 115.26 115.81 1h0t n ASN 23 Ca -0.09 -2.42 0.05 0.00 -0.53 0.00 0.00 54.58 51.60 1h0t n ASN 23 Cb 0.50 0.09 0.40 0.00 -2.08 0.00 0.00 39.78 38.69 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 0.61 -0.09 -3.83 4.57 -1.97 0.25 114.58 114.11 1h0t h GLU 24 Ca -0.26 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 57.83 1h0t h GLU 24 Cb 0.89 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1h0t h GLU 24 CO 0.43 0.40 -0.12 1.49 -1.18 0.00 0.00 179.01 180.03 1h0t h GLU 25 N 0.63 0.25 0.05 1.92 4.81 -1.98 -2.35 114.58 117.91 1h0t h GLU 25 Ca 0.21 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1h0t h GLU 25 Cb 0.07 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1h0t h GLU 25 CO -0.05 0.70 -0.03 1.96 -0.73 0.00 0.00 179.01 180.86 1h0t h GLN 26 N -0.18 -0.07 -0.19 1.92 1.08 -1.87 -2.66 115.11 113.14 1h0t h GLN 26 Ca 0.01 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1h0t h GLN 26 Cb 0.67 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1h0t h GLN 26 CO 0.03 0.55 0.10 -0.09 -0.95 0.00 0.00 178.83 178.47 1h0t h ARG 27 N -0.85 0.21 -0.43 1.46 2.43 -0.66 -1.35 114.38 115.18 1h0t h ARG 27 Ca -0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1h0t h ARG 27 Cb 0.65 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1h0t h ARG 27 CO 0.01 0.14 0.13 -0.97 -1.51 0.00 0.00 179.97 177.76 1h0t h ASN 28 N 0.21 0.63 -0.94 -3.80 -1.24 -1.56 -0.47 115.58 108.40 1h0t h ASN 28 Ca 0.08 -0.21 0.07 0.00 0.71 0.00 0.00 56.30 56.94 1h0t h ASN 28 Cb 0.01 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 38.83 1h0t h ASN 28 CO -0.05 0.67 0.61 0.00 -1.29 0.00 0.00 177.43 177.38 1h0t h ALA 29 N 0.98 1.48 -0.34 1.57 0.00 -1.33 0.32 119.26 121.93 1h0t h ALA 29 Ca 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1h0t h ALA 29 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1h0t h ALA 29 CO -0.00 0.38 0.03 0.74 0.00 0.00 0.00 179.25 180.39 1h0t h PHE 30 N 1.08 0.63 0.00 0.00 0.04 -0.79 0.20 116.94 118.10 1h0t h PHE 30 Ca 0.41 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 61.04 1h0t h PHE 30 Cb 0.20 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1h0t h PHE 30 CO -0.00 0.67 -0.18 0.82 -0.60 0.00 0.00 178.31 179.02 1h0t h ILE 31 N 0.40 0.92 -0.01 -0.55 2.04 0.06 0.72 117.51 121.08 1h0t h ILE 31 Ca 0.10 -0.67 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 1h0t h ILE 31 Cb 0.41 1.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1h0t h ILE 31 CO 0.01 0.18 -0.30 1.56 0.00 0.00 0.00 178.15 179.60 1h0t h GLN 32 N 0.00 0.22 0.00 2.37 4.20 0.40 0.21 115.11 122.52 1h0t h GLN 32 Ca -0.00 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 1h0t h GLN 32 Cb 0.37 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1h0t h GLN 32 CO 0.02 0.93 -0.36 0.66 -0.67 0.00 0.00 178.83 179.41 1h0t h SER 33 N -0.39 0.00 0.10 1.46 4.64 -0.28 -2.86 113.55 116.21 1h0t h SER 33 Ca -0.03 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 1h0t h SER 33 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1h0t h SER 33 CO 0.06 0.36 -0.95 0.25 -0.87 0.00 0.00 176.83 175.68 1h0t h LEU 34 N 0.00 0.33 -1.82 5.97 5.85 0.44 -0.78 115.31 125.31 1h0t h LEU 34 Ca -0.00 -0.89 -0.03 0.00 0.84 0.00 0.00 57.88 57.80 1h0t h LEU 34 Cb 0.72 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1h0t h LEU 34 CO 0.05 1.43 -0.12 0.11 -0.34 0.00 0.00 178.44 179.56 1h0t h LYS 35 N -0.49 0.00 0.00 1.25 1.79 -0.60 -2.99 116.57 115.53 1h0t h LYS 35 Ca -0.20 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 57.96 1h0t h LYS 35 Cb 1.57 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.16 1h0t h LYS 35 CO 0.07 0.12 -2.13 -0.25 -1.08 0.00 0.00 179.45 176.18 1h0t n ASP 36 N -4.25 0.28 -4.08 0.86 8.00 -1.08 -4.82 116.55 111.44 1h0t n ASP 36 Ca -0.03 0.13 -0.34 0.00 0.71 0.00 0.00 54.79 55.27 1h0t n ASP 36 Cb 0.20 0.74 -0.13 0.00 -0.02 0.00 0.00 41.12 41.90 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 -5.60 4.96 0.27 -2.24 -1.08 -0.30 -4.97 116.67 107.70 1h0t s ASP 37 Ca -0.08 -1.94 0.05 0.00 -0.52 0.00 0.00 52.55 50.06 1h0t s ASP 37 Cb 0.07 -1.71 0.36 0.00 -1.46 0.00 0.00 42.92 40.17 1h0t s ASP 37 CO 0.83 -0.42 1.64 1.55 0.52 0.00 0.00 175.17 179.30 1h0t h PRO 38 N 7.85 0.28 0.00 4.34 0.13 -1.84 -3.25 132.00 139.50 1h0t h PRO 38 Ca -0.11 -0.15 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 1h0t h PRO 38 Cb 1.04 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1h0t h PRO 38 CO 0.59 0.70 -0.65 0.66 -0.23 0.00 0.00 178.00 179.07 1h0t h SER 39 N 0.23 0.00 -0.03 1.44 4.64 -1.93 -3.27 113.55 114.63 1h0t h SER 39 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1h0t h SER 39 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1h0t h SER 39 CO 0.08 0.65 0.00 1.67 -0.87 0.00 0.00 176.83 178.35 1h0t n GLN 40 N -3.26 1.30 -0.04 4.77 7.27 -1.23 -4.39 117.38 121.80 1h0t n GLN 40 Ca 0.01 -0.44 -0.08 0.00 0.07 0.00 0.00 57.00 56.57 1h0t n GLN 40 Cb 0.80 -1.44 -0.02 0.00 2.41 0.00 0.00 30.24 31.98 1h0t n GLN 40 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1h0t h SER 41 N 1.01 -0.32 -0.38 1.69 0.02 -1.63 0.46 113.55 114.40 1h0t h SER 41 Ca 0.00 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1h0t h SER 41 Cb 0.22 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1h0t h SER 41 CO 0.00 -0.12 0.23 0.00 -1.14 0.00 0.00 176.83 175.80 1h0t h ALA 42 N 1.13 0.48 -0.87 3.77 0.00 -1.82 0.29 119.26 122.24 1h0t h ALA 42 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1h0t h ALA 42 Cb 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1h0t h ALA 42 CO -0.26 -0.10 0.58 -0.91 0.00 0.00 0.00 179.25 178.56 1h0t h ASN 43 N 0.48 0.97 -0.58 0.00 -0.26 -1.74 0.46 115.58 114.90 1h0t h ASN 43 Ca 0.14 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.83 1h0t h ASN 43 Cb -0.02 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 36.98 1h0t h ASN 43 CO -0.05 0.68 0.20 -0.07 -1.06 0.00 0.00 177.43 177.13 1h0t h LEU 44 N 1.13 0.83 -0.14 1.61 3.38 0.12 0.68 115.31 122.92 1h0t h LEU 44 Ca 0.34 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1h0t h LEU 44 Cb -0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1h0t h LEU 44 CO -0.09 0.80 -0.03 0.25 0.09 0.00 0.00 178.44 179.45 1h0t h LEU 45 N 0.81 0.27 -0.67 1.67 5.85 0.44 0.21 115.31 123.89 1h0t h LEU 45 Ca 0.19 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.64 1h0t h LEU 45 Cb 0.25 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1h0t h LEU 45 CO -0.01 0.57 0.30 0.00 -0.34 0.00 0.00 178.44 178.97 1h0t h ALA 46 N 0.70 0.91 -0.23 1.25 0.00 0.44 1.16 119.26 123.49 1h0t h ALA 46 Ca 0.03 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1h0t h ALA 46 Cb 0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1h0t h ALA 46 CO 0.01 -0.11 -0.40 1.05 0.00 0.00 0.00 179.25 179.80 1h0t h GLU 47 N 0.52 0.53 -0.52 0.00 4.11 0.50 0.80 114.58 120.52 1h0t h GLU 47 Ca 0.33 -0.27 -0.09 0.00 0.07 0.00 0.00 59.36 59.41 1h0t h GLU 47 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1h0t h GLU 47 CO -0.29 0.84 -0.04 0.00 0.07 0.00 0.00 179.01 179.60 1h0t h ALA 48 N 1.13 0.95 -0.58 1.06 0.00 0.12 0.53 119.26 122.46 1h0t h ALA 48 Ca 0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1h0t h ALA 48 Cb 0.89 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1h0t h ALA 48 CO 0.08 0.63 0.12 0.87 0.00 0.00 0.00 179.25 180.94 1h0t h LYS 49 N 0.84 0.94 -0.85 0.00 1.79 0.19 0.12 116.57 119.59 1h0t h LYS 49 Ca 0.15 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1h0t h LYS 49 Cb 0.55 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 1h0t h LYS 49 CO 0.03 0.88 0.44 -0.22 -1.08 0.00 0.00 179.45 179.51 1h0t h LYS 50 N 0.84 1.20 -0.13 3.15 3.64 0.11 -2.15 116.57 123.23 1h0t h LYS 50 Ca 0.18 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1h0t h LYS 50 Cb 0.38 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1h0t h LYS 50 CO 0.01 0.89 -0.56 -0.07 -2.27 0.00 0.00 179.45 177.45 1h0t h LEU 51 N 1.20 0.43 -0.68 5.20 4.07 0.71 -1.64 115.31 124.60 1h0t h LEU 51 Ca 0.30 -0.23 0.03 0.00 0.08 0.00 0.00 57.88 58.05 1h0t h LEU 51 Cb 0.06 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.64 1h0t h LEU 51 CO -0.04 0.90 0.42 -1.13 -1.08 0.00 0.00 178.44 177.51 1h0t h ASN 52 N 0.29 0.70 0.23 -0.43 -1.24 -0.13 0.50 115.58 115.50 1h0t h ASN 52 Ca 0.00 -0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.71 1h0t h ASN 52 Cb 1.07 -0.15 0.03 0.00 0.73 0.00 0.00 38.32 40.00 1h0t h ASN 52 CO 0.10 0.48 -1.28 0.44 -1.29 0.00 0.00 177.43 175.88 1h0t h ASP 53 N 0.83 0.80 -0.37 1.15 3.32 -1.45 -2.00 116.42 118.71 1h0t h ASP 53 Ca 0.27 -0.77 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 1h0t h ASP 53 Cb 0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1h0t h ASP 53 CO -0.10 1.58 -0.11 0.00 -1.72 0.00 0.00 179.24 178.89 1h0t h ALA 54 N 0.33 0.51 -0.14 3.45 0.00 -1.07 -2.77 119.26 119.57 1h0t h ALA 54 Ca -0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1h0t h ALA 54 Cb 1.96 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1h0t h ALA 54 CO 0.24 0.38 0.00 1.04 0.00 0.00 0.00 179.25 180.91 1h0t n GLN 55 N -4.37 1.55 -1.65 0.00 6.02 0.17 -4.94 117.38 114.17 1h0t n GLN 55 Ca -0.02 -0.83 -0.34 0.00 -0.01 0.00 0.00 57.00 55.80 1h0t n GLN 55 Cb 0.36 -1.35 0.06 0.00 1.02 0.00 0.00 30.24 30.33 1h0t n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h0t s ALA 56 N -1.82 2.34 0.23 -1.58 0.00 -0.75 -4.93 121.76 115.24 1h0t s ALA 56 Ca 0.30 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1h0t s ALA 56 Cb 0.16 -3.38 0.23 0.00 0.00 0.00 0.00 23.12 20.12 1h0t s ALA 56 CO 0.24 -1.49 1.59 -1.00 0.00 0.00 0.00 175.76 175.10 1h0t h PRO 57 N -0.04 0.52 0.00 0.00 0.13 -1.89 -3.50 132.00 127.23 1h0t h PRO 57 Ca -0.47 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1h0t h PRO 57 Cb 1.27 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1h0t h PRO 57 CO 0.52 0.85 0.00 1.17 -0.23 0.00 0.00 178.00 180.32