#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss1 n SER 0 N 0.00 0.00 -4.51 1.61 2.88 -1.26 -5.00 113.62 107.34 1ss1 n SER 0 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1ss1 n SER 0 Cb 0.00 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 63.67 1ss1 n SER 0 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ss1 s THR 1 N 0.02 1.94 0.00 2.46 -1.32 -1.26 -4.80 115.64 112.68 1ss1 s THR 1 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1ss1 s THR 1 Cb 0.00 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1ss1 s THR 1 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 1ss1 n ALA 2 N -4.51 0.00 0.00 11.08 0.00 -1.26 -4.96 120.51 120.86 1ss1 n ALA 2 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ss1 n ALA 2 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1ss1 n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ss1 n ASP 3 N 0.00 0.00 0.00 0.00 8.00 -1.26 -4.98 116.55 118.31 1ss1 n ASP 3 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ss1 n ASP 3 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1ss1 n ASP 3 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ss1 n ASN 4 N 0.00 0.00 0.00 -2.24 0.23 -1.26 -4.95 115.26 107.04 1ss1 n ASN 4 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1ss1 n ASN 4 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1ss1 n ASN 4 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1ss1 n LYS 5 N 0.00 0.00 -2.71 -3.83 3.00 -1.26 -4.55 118.16 108.81 1ss1 n LYS 5 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1ss1 n LYS 5 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 1ss1 n LYS 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ss1 n PHE 6 N 0.00 -2.09 -0.43 5.64 3.01 -1.26 -4.91 117.46 117.42 1ss1 n PHE 6 Ca 0.00 0.78 -0.12 0.00 1.01 0.00 0.00 57.45 59.12 1ss1 n PHE 6 Cb 0.00 -3.55 0.11 0.00 -0.01 0.00 0.00 39.48 36.04 1ss1 n PHE 6 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ss1 n ASN 7 N -2.01 -2.68 -0.03 4.37 4.13 -1.26 -2.84 115.26 114.93 1ss1 n ASN 7 Ca -0.02 -0.34 0.22 0.00 1.68 0.00 0.00 54.58 56.12 1ss1 n ASN 7 Cb 0.53 -0.62 0.70 0.00 -1.54 0.00 0.00 39.78 38.86 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1ss1 h LYS 8 N 0.00 0.00 0.05 3.52 -0.00 -1.98 0.41 116.57 118.58 1ss1 h LYS 8 Ca -0.15 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.33 1ss1 h LYS 8 Cb 0.51 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 32.76 1ss1 h LYS 8 CO 0.09 0.00 -0.70 0.93 -0.00 0.00 0.00 179.45 179.77 1ss1 h GLU 9 N 0.00 0.38 0.00 0.07 5.08 -2.01 -3.11 114.58 114.99 1ss1 h GLU 9 Ca 0.28 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1ss1 h GLU 9 Cb 1.15 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ss1 h GLU 9 CO -0.00 1.16 -0.21 0.37 -1.00 0.00 0.00 179.01 179.32 1ss1 h GLN 10 N -0.19 0.14 -0.07 2.33 5.75 -1.53 -3.27 115.11 118.28 1ss1 h GLN 10 Ca -0.10 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.26 1ss1 h GLN 10 Cb 1.45 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 30.04 1ss1 h GLN 10 CO 0.13 0.92 0.06 0.37 -2.65 0.00 0.00 178.83 177.66 1ss1 h GLN 11 N -0.57 0.00 -0.95 1.69 4.15 -0.07 -1.56 115.11 117.80 1ss1 h GLN 11 Ca -0.03 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.55 1ss1 h GLN 11 Cb 0.99 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.60 1ss1 h GLN 11 CO 0.04 0.00 0.60 -0.97 -1.93 0.00 0.00 178.83 176.57 1ss1 h ASN 12 N 0.00 0.74 -0.95 -0.69 -1.24 -1.59 0.32 115.58 112.17 1ss1 h ASN 12 Ca 0.03 0.06 0.10 0.00 0.71 0.00 0.00 56.30 57.20 1ss1 h ASN 12 Cb 0.14 -0.09 -0.08 0.00 0.73 0.00 0.00 38.32 39.03 1ss1 h ASN 12 CO -0.00 0.35 0.59 0.00 -1.29 0.00 0.00 177.43 177.07 1ss1 h ALA 13 N 1.59 1.39 0.41 1.57 0.00 -1.44 -2.07 119.26 120.72 1ss1 h ALA 13 Ca 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 1ss1 h ALA 13 Cb 0.75 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ss1 h ALA 13 CO -0.26 0.22 -0.35 0.35 0.00 0.00 0.00 179.25 179.21 1ss1 h PHE 14 N 0.96 -0.94 -0.30 0.00 3.57 -1.07 0.10 116.94 119.26 1ss1 h PHE 14 Ca 0.46 0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.00 1ss1 h PHE 14 Cb 0.41 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1ss1 h PHE 14 CO -0.02 -0.51 0.06 2.35 -2.23 0.00 0.00 178.31 177.96 1ss1 h TRP 15 N -0.77 0.09 0.34 0.41 7.01 -1.41 0.40 115.95 122.02 1ss1 h TRP 15 Ca -0.04 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1ss1 h TRP 15 Cb 0.67 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.74 1ss1 h TRP 15 CO -0.17 0.02 -0.16 1.05 -2.79 0.00 0.00 178.44 176.38 1ss1 h GLU 16 N 0.16 -0.43 -0.84 2.65 4.11 -1.30 -2.47 114.58 116.46 1ss1 h GLU 16 Ca 0.14 0.03 0.16 0.00 0.07 0.00 0.00 59.36 59.76 1ss1 h GLU 16 Cb 0.15 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.40 1ss1 h GLU 16 CO -0.19 -0.16 0.40 0.82 0.07 0.00 0.00 179.01 179.95 1ss1 h ILE 17 N -0.67 0.67 -0.75 -1.06 2.04 -0.61 0.23 117.51 117.35 1ss1 h ILE 17 Ca -0.05 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1ss1 h ILE 17 Cb 0.47 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1ss1 h ILE 17 CO 0.08 0.10 0.50 -0.07 0.00 0.00 0.00 178.15 178.75 1ss1 h LEU 18 N 0.55 0.79 0.09 1.44 -0.00 -0.01 -3.23 115.31 114.93 1ss1 h LEU 18 Ca 0.47 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.34 1ss1 h LEU 18 Cb 0.72 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1ss1 h LEU 18 CO -0.40 0.54 -0.04 -0.74 -0.00 0.00 0.00 178.44 177.80 1ss1 h HIS 19 N 0.92 -0.11 -7.13 1.13 2.76 -0.54 -3.47 115.15 108.70 1ss1 h HIS 19 Ca 0.30 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.40 1ss1 h HIS 19 Cb 0.06 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1ss1 h HIS 19 CO -0.00 0.06 -0.12 1.28 -1.30 0.00 0.00 177.93 177.85 1ss1 n LEU 20 N -4.84 -0.03 -4.55 0.26 4.77 -0.41 -4.64 117.00 107.55 1ss1 n LEU 20 Ca -0.03 -0.14 -0.28 0.00 -0.03 0.00 0.00 56.01 55.53 1ss1 n LEU 20 Cb 0.10 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1ss1 n LEU 20 CO 0.08 0.09 1.74 -2.65 -1.33 0.00 0.00 177.39 175.32 1ss1 n PRO 21 N -1.32 0.84 0.00 3.23 -0.02 -1.26 -0.66 135.00 135.80 1ss1 n PRO 21 Ca -0.02 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 1ss1 n PRO 21 Cb 0.06 -3.50 0.00 0.00 -0.02 0.00 0.00 33.50 30.05 1ss1 n PRO 21 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ss1 n ASN 22 N 16.84 0.00 -4.75 2.55 0.23 -1.26 -4.79 115.26 124.08 1ss1 n ASN 22 Ca 0.41 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 54.13 1ss1 n ASN 22 Cb 0.49 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.12 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1ss1 s LEU 23 N 0.00 3.79 -0.24 -4.53 2.96 0.16 -4.15 118.68 116.67 1ss1 s LEU 23 Ca 0.00 0.13 -0.35 0.00 -0.22 0.00 0.00 54.13 53.69 1ss1 s LEU 23 Cb 0.00 -2.13 -0.11 0.00 0.50 0.00 0.00 46.19 44.45 1ss1 s LEU 23 CO 0.00 0.30 2.02 -3.20 -1.32 0.00 0.00 176.35 174.15 1ss1 n ASN 24 N 1.43 2.75 0.26 3.68 4.05 -1.26 -4.74 115.26 121.43 1ss1 n ASN 24 Ca -0.15 0.68 0.18 0.00 0.45 0.00 0.00 54.58 55.74 1ss1 n ASN 24 Cb 0.53 -1.31 0.86 0.00 1.23 0.00 0.00 39.78 41.09 1ss1 n ASN 24 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1ss1 h GLU 25 N 10.81 0.00 0.00 1.20 9.09 -1.95 1.91 114.58 135.64 1ss1 h GLU 25 Ca -0.39 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 58.92 1ss1 h GLU 25 Cb 1.29 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.38 1ss1 h GLU 25 CO 0.98 0.00 -0.48 1.49 0.05 0.00 0.00 179.01 181.05 1ss1 h GLU 26 N 0.00 0.00 -0.09 1.06 4.81 -2.00 -0.34 114.58 118.03 1ss1 h GLU 26 Ca 0.06 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.05 1ss1 h GLU 26 Cb 0.63 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.02 1ss1 h GLU 26 CO -0.00 0.48 -0.90 1.96 -0.73 0.00 0.00 179.01 179.83 1ss1 h GLN 27 N 0.00 0.75 0.12 1.92 4.20 0.26 -2.18 115.11 120.17 1ss1 h GLN 27 Ca -0.00 -0.69 0.01 0.00 0.06 0.00 0.00 58.65 58.03 1ss1 h GLN 27 Cb 0.96 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1ss1 h GLN 27 CO 0.06 1.28 -0.19 0.00 -0.67 0.00 0.00 178.83 179.32 1ss1 h ARG 28 N 0.48 -0.35 -0.41 1.46 3.08 -0.46 -0.82 114.38 117.35 1ss1 h ARG 28 Ca -0.09 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1ss1 h ARG 28 Cb 1.53 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.60 1ss1 h ARG 28 CO 0.18 -0.24 0.02 -0.97 -1.07 0.00 0.00 179.97 177.89 1ss1 h ASN 29 N -0.37 -0.14 -0.97 7.04 -0.00 -1.08 -0.20 115.58 119.88 1ss1 h ASN 29 Ca 0.02 0.09 0.12 0.00 -0.00 0.00 0.00 56.30 56.54 1ss1 h ASN 29 Cb 0.38 0.16 -0.08 0.00 -0.00 0.00 0.00 38.32 38.78 1ss1 h ASN 29 CO -0.10 -0.03 0.61 1.23 -0.00 0.00 0.00 177.43 179.14 1ss1 h GLY 30 N 0.13 1.51 1.81 1.57 0.00 -0.88 0.17 103.07 107.37 1ss1 h GLY 30 Ca 0.20 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1ss1 h GLY 30 CO -0.33 0.15 -0.20 0.74 0.00 0.00 0.00 176.54 176.90 1ss1 h PHE 31 N 0.91 0.25 -0.13 5.60 0.04 0.38 -2.20 116.94 121.79 1ss1 h PHE 31 Ca 0.48 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 61.12 1ss1 h PHE 31 Cb 0.54 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1ss1 h PHE 31 CO -0.00 0.43 -0.27 0.82 -0.60 0.00 0.00 178.31 178.69 1ss1 h ILE 32 N 0.22 1.37 -0.06 -0.55 2.04 0.40 -1.39 117.51 119.54 1ss1 h ILE 32 Ca 0.04 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.36 1ss1 h ILE 32 Cb 0.49 2.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1ss1 h ILE 32 CO 0.03 0.45 0.03 0.06 0.00 0.00 0.00 178.15 178.73 1ss1 h GLN 33 N 0.00 0.09 -0.61 2.37 3.07 -1.10 1.67 115.11 120.60 1ss1 h GLN 33 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 1ss1 h GLN 33 Cb 0.86 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.38 1ss1 h GLN 33 CO 0.06 0.18 0.29 1.03 0.09 0.00 0.00 178.83 180.48 1ss1 h SER 34 N -0.03 0.80 0.04 0.06 0.87 -1.47 -1.94 113.55 111.88 1ss1 h SER 34 Ca 0.02 -0.13 -0.25 0.00 -1.23 0.00 0.00 61.79 60.19 1ss1 h SER 34 Cb 0.12 -0.21 0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1ss1 h SER 34 CO -0.00 0.71 -0.99 0.25 -0.53 0.00 0.00 176.83 176.26 1ss1 h LEU 35 N 0.83 0.86 -1.12 2.23 5.85 -1.11 -3.09 115.31 119.76 1ss1 h LEU 35 Ca 0.21 -0.67 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1ss1 h LEU 35 Cb 0.13 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1ss1 h LEU 35 CO -0.03 1.47 -0.29 0.07 -0.34 0.00 0.00 178.44 179.33 1ss1 h LYS 36 N 0.39 0.26 0.00 1.25 5.09 0.26 -2.84 116.57 120.98 1ss1 h LYS 36 Ca -0.11 -0.09 0.00 0.00 0.09 0.00 0.00 60.65 60.53 1ss1 h LYS 36 Cb 1.64 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 33.95 1ss1 h LYS 36 CO 0.19 0.53 -0.62 -0.40 -2.09 0.00 0.00 179.45 177.06 1ss1 n ASP 37 N -4.13 0.67 -3.78 7.07 5.68 -0.74 -4.77 116.55 116.55 1ss1 n ASP 37 Ca -0.01 0.08 -0.26 0.00 -0.50 0.00 0.00 54.79 54.10 1ss1 n ASP 37 Cb 0.39 0.18 -0.17 0.00 -1.14 0.00 0.00 41.12 40.39 1ss1 n ASP 37 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ss1 s ASP 38 N -4.07 2.31 0.16 -1.12 -1.08 -1.07 -5.01 116.67 106.79 1ss1 s ASP 38 Ca 0.07 -0.47 0.12 0.00 -0.52 0.00 0.00 52.55 51.75 1ss1 s ASP 38 Cb 0.14 -0.58 -0.10 0.00 -1.46 0.00 0.00 42.92 40.92 1ss1 s ASP 38 CO 0.72 -0.23 1.22 1.55 0.52 0.00 0.00 175.17 178.94 1ss1 h PRO 39 N 8.26 0.00 0.00 4.34 0.13 -1.86 -3.18 132.00 139.68 1ss1 h PRO 39 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1ss1 h PRO 39 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ss1 h PRO 39 CO 0.32 0.65 0.00 0.45 -0.23 0.00 0.00 178.00 179.19 1ss1 n SER 40 N -3.20 0.27 -0.06 1.44 2.88 -1.26 -1.74 113.62 111.94 1ss1 n SER 40 Ca -0.02 0.57 0.11 0.00 -1.33 0.00 0.00 58.87 58.19 1ss1 n SER 40 Cb 0.86 -0.62 0.02 0.00 -0.75 0.00 0.00 64.21 63.71 1ss1 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ss1 n GLN 41 N -1.80 0.17 -0.33 -1.46 1.13 -1.20 -4.49 117.38 109.40 1ss1 n GLN 41 Ca 0.03 -0.13 0.17 0.00 -1.94 0.00 0.00 57.00 55.13 1ss1 n GLN 41 Cb 0.19 -1.50 0.33 0.00 0.11 0.00 0.00 30.24 29.38 1ss1 n GLN 41 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1ss1 h SER 42 N 0.32 -0.30 -0.29 1.08 0.87 -1.43 0.63 113.55 114.42 1ss1 h SER 42 Ca 0.00 0.27 -0.15 0.00 -1.23 0.00 0.00 61.79 60.68 1ss1 h SER 42 Cb 0.53 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 1ss1 h SER 42 CO 0.00 -0.34 -0.38 0.00 -0.53 0.00 0.00 176.83 175.58 1ss1 h ALA 43 N 1.96 0.66 -0.47 6.23 0.00 -1.81 0.11 119.26 125.94 1ss1 h ALA 43 Ca 0.63 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1ss1 h ALA 43 Cb 1.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1ss1 h ALA 43 CO -0.87 0.67 -0.20 -0.97 0.00 0.00 0.00 179.25 177.88 1ss1 h ASN 44 N 0.69 0.97 0.04 0.00 -0.73 -0.22 -1.74 115.58 114.58 1ss1 h ASN 44 Ca 0.06 -0.36 -0.13 0.00 1.87 0.00 0.00 56.30 57.74 1ss1 h ASN 44 Cb 0.95 -0.27 0.01 0.00 0.27 0.00 0.00 38.32 39.28 1ss1 h ASN 44 CO 0.09 1.14 -0.53 -0.07 -0.37 0.00 0.00 177.43 177.68 1ss1 h LEU 45 N 0.82 0.40 0.44 0.34 -0.00 -0.44 -2.69 115.31 114.18 1ss1 h LEU 45 Ca 0.11 -0.83 -0.01 0.00 -0.00 0.00 0.00 57.88 57.15 1ss1 h LEU 45 Cb 0.77 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 1ss1 h LEU 45 CO 0.06 1.19 -0.31 0.25 -0.00 0.00 0.00 178.44 179.63 1ss1 h LEU 46 N -0.33 -0.80 -0.03 1.67 7.12 -0.81 -0.01 115.31 122.13 1ss1 h LEU 46 Ca -0.08 0.06 0.01 0.00 0.13 0.00 0.00 57.88 58.00 1ss1 h LEU 46 Cb 1.30 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.67 1ss1 h LEU 46 CO 0.10 -0.47 -0.02 0.00 -0.13 0.00 0.00 178.44 177.92 1ss1 h ALA 47 N -0.25 0.01 -0.79 1.25 0.00 -1.46 -1.11 119.26 116.91 1ss1 h ALA 47 Ca -0.04 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1ss1 h ALA 47 Cb 0.62 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1ss1 h ALA 47 CO 0.02 -0.50 0.45 0.93 0.00 0.00 0.00 179.25 180.14 1ss1 h GLU 48 N -0.02 0.75 -0.33 0.00 4.39 -1.40 -0.68 114.58 117.30 1ss1 h GLU 48 Ca 0.02 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1ss1 h GLU 48 Cb 0.04 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1ss1 h GLU 48 CO -0.04 0.49 -0.11 0.00 -1.16 0.00 0.00 179.01 178.19 1ss1 h ALA 49 N 1.43 1.20 0.11 3.43 0.00 -0.67 -1.91 119.26 122.85 1ss1 h ALA 49 Ca 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ss1 h ALA 49 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ss1 h ALA 49 CO -0.23 0.52 -0.06 -0.22 0.00 0.00 0.00 179.25 179.26 1ss1 h LYS 50 N 0.52 -0.15 -0.58 0.00 1.63 0.15 -1.18 116.57 116.96 1ss1 h LYS 50 Ca 0.10 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1ss1 h LYS 50 Cb 0.50 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 1ss1 h LYS 50 CO 0.03 0.00 0.33 0.87 -3.45 0.00 0.00 179.45 177.23 1ss1 h LYS 51 N -0.27 0.81 0.32 1.90 1.79 -1.25 -2.80 116.57 117.06 1ss1 h LYS 51 Ca -0.02 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1ss1 h LYS 51 Cb 0.22 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1ss1 h LYS 51 CO 0.03 0.61 -0.23 1.25 -1.08 0.00 0.00 179.45 180.03 1ss1 h LEU 52 N 0.79 -0.60 -0.17 2.94 5.85 -1.23 -2.22 115.31 120.66 1ss1 h LEU 52 Ca 0.21 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1ss1 h LEU 52 Cb 0.04 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 1ss1 h LEU 52 CO -0.03 -0.36 -0.36 -1.13 -0.34 0.00 0.00 178.44 176.22 1ss1 h ASN 53 N -0.55 -1.14 -0.35 1.25 -0.73 -1.12 0.70 115.58 113.65 1ss1 h ASN 53 Ca -0.02 0.16 0.06 0.00 1.87 0.00 0.00 56.30 58.37 1ss1 h ASN 53 Cb 0.47 0.48 -0.06 0.00 0.27 0.00 0.00 38.32 39.49 1ss1 h ASN 53 CO 0.00 -0.38 0.00 -2.24 -0.37 0.00 0.00 177.43 174.44 1ss1 h ASP 54 N -0.41 -0.14 0.02 1.15 3.04 -1.45 0.44 116.42 119.07 1ss1 h ASP 54 Ca 0.10 0.08 -0.07 0.00 -3.24 0.00 0.00 57.03 53.90 1ss1 h ASP 54 Cb 0.58 0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 38.99 1ss1 h ASP 54 CO -0.40 -0.03 -0.19 0.00 -2.04 0.00 0.00 179.24 176.58 1ss1 h ALA 55 N 1.30 1.35 -0.00 4.15 0.00 -0.83 -2.17 119.26 123.05 1ss1 h ALA 55 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ss1 h ALA 55 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ss1 h ALA 55 CO -0.28 0.44 -0.09 1.04 0.00 0.00 0.00 179.25 180.37 1ss1 n GLN 56 N -4.20 0.59 -0.39 0.00 6.02 0.24 -4.97 117.38 114.66 1ss1 n GLN 56 Ca -0.00 -0.16 -0.13 0.00 -0.01 0.00 0.00 57.00 56.70 1ss1 n GLN 56 Cb 0.33 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.10 1ss1 n GLN 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ss1 n ALA 57 N -1.07 -2.85 -1.31 -1.58 0.00 0.14 -4.65 120.51 109.18 1ss1 n ALA 57 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ss1 n ALA 57 Cb 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1ss1 n ALA 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ss1 n PRO 58 N 0.72 0.00 0.00 0.00 -0.04 -1.26 -5.01 135.00 129.40 1ss1 n PRO 58 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1ss1 n PRO 58 Cb 0.18 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 1ss1 n PRO 58 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ss1 n LYS 59 N -0.07 0.00 -0.55 0.54 3.00 -1.26 -5.19 118.16 114.63 1ss1 n LYS 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ss1 n LYS 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40