#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 -3.70 -4.33 1.61 3.41 -1.26 -4.51 113.62 104.84 1ss1 n SER 0 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1ss1 n SER 0 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1ss1 n SER 0 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ss1 s THR 1 N 0.00 4.46 0.00 6.66 -4.23 -1.26 -4.84 115.64 116.43 1ss1 s THR 1 Ca 0.00 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1ss1 s THR 1 Cb 0.00 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1ss1 s THR 1 CO 0.00 -0.35 0.00 0.00 -0.54 0.00 0.00 174.62 173.73 1ss1 n ALA 2 N 4.98 2.41 0.00 3.99 0.00 -1.26 -5.05 120.51 125.58 1ss1 n ALA 2 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ss1 n ALA 2 Cb 0.45 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1ss1 n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ss1 n ASP 3 N -2.38 0.00 0.00 0.00 2.03 -1.26 -4.95 116.55 110.00 1ss1 n ASP 3 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ss1 n ASP 3 Cb 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1ss1 n ASP 3 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ss1 n ASN 4 N 0.00 0.00 -2.59 1.67 5.03 -1.26 -5.10 115.26 113.01 1ss1 n ASN 4 Ca 0.00 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.41 1ss1 n ASN 4 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1ss1 n ASN 4 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ss1 n LYS 5 N 0.00 -4.18 -2.01 3.52 4.76 -1.26 -4.88 118.16 114.11 1ss1 n LYS 5 Ca 0.00 3.14 -0.40 0.00 -2.87 0.00 0.00 58.31 58.18 1ss1 n LYS 5 Cb 0.00 -4.31 -0.01 0.00 -1.84 0.00 0.00 35.03 28.87 1ss1 n LYS 5 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ss1 s PHE 6 N -0.54 2.81 0.00 2.13 0.40 -1.26 -4.85 117.98 116.67 1ss1 s PHE 6 Ca -0.19 1.36 0.00 0.00 -0.60 0.00 0.00 56.93 57.50 1ss1 s PHE 6 Cb 0.01 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.79 1ss1 s PHE 6 CO 0.50 -2.25 0.00 0.27 0.70 0.00 0.00 175.22 174.44 1ss1 n ASN 7 N 0.32 0.00 -0.03 1.36 0.23 -1.26 -4.65 115.26 111.23 1ss1 n ASN 7 Ca 0.02 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1ss1 n ASN 7 Cb 0.42 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.12 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1ss1 h LYS 8 N 0.00 -0.01 0.00 -3.83 2.10 -1.97 -3.31 116.57 109.56 1ss1 h LYS 8 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ss1 h LYS 8 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1ss1 h LYS 8 CO 0.00 -0.01 -0.00 1.49 -2.00 0.00 0.00 179.45 178.93 1ss1 h GLU 9 N -0.78 -0.00 0.04 0.07 4.81 -1.96 -3.27 114.58 113.47 1ss1 h GLU 9 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ss1 h GLU 9 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1ss1 h GLU 9 CO 0.00 0.90 -0.02 1.96 -0.73 0.00 0.00 179.01 181.13 1ss1 h GLN 10 N -0.95 -0.05 -0.71 1.92 4.20 -1.93 -3.23 115.11 114.37 1ss1 h GLN 10 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1ss1 h GLN 10 Cb 0.91 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.63 1ss1 h GLN 10 CO 0.00 0.60 0.37 0.37 -0.67 0.00 0.00 178.83 179.50 1ss1 h GLN 11 N -0.76 0.63 -0.85 1.46 4.15 -1.78 -0.38 115.11 117.57 1ss1 h GLN 11 Ca -0.00 -0.04 0.14 0.00 0.77 0.00 0.00 58.65 59.51 1ss1 h GLN 11 Cb 0.66 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 1ss1 h GLN 11 CO 0.01 0.42 0.55 -0.97 -1.93 0.00 0.00 178.83 176.91 1ss1 h ASN 12 N 0.65 0.61 -0.66 -0.69 -1.24 -1.65 -0.33 115.58 112.27 1ss1 h ASN 12 Ca 0.34 0.03 0.06 0.00 0.71 0.00 0.00 56.30 57.45 1ss1 h ASN 12 Cb 0.31 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 1ss1 h ASN 12 CO -0.24 0.32 0.44 0.00 -1.29 0.00 0.00 177.43 176.66 1ss1 h ALA 13 N 1.61 1.77 0.21 1.57 0.00 -1.07 -2.03 119.26 121.31 1ss1 h ALA 13 Ca 0.42 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1ss1 h ALA 13 Cb 0.70 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1ss1 h ALA 13 CO -0.18 0.12 -0.37 0.35 0.00 0.00 0.00 179.25 179.17 1ss1 h PHE 14 N 0.66 -1.02 0.25 0.00 3.04 -1.05 0.65 116.94 119.46 1ss1 h PHE 14 Ca 0.29 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 1ss1 h PHE 14 Cb 0.28 0.42 0.00 0.00 2.56 0.00 0.00 35.95 39.22 1ss1 h PHE 14 CO -0.00 -0.49 -0.12 -1.49 -2.02 0.00 0.00 178.31 174.19 1ss1 h TRP 15 N -0.66 -0.31 -0.32 0.41 6.55 -1.61 0.20 115.95 120.21 1ss1 h TRP 15 Ca 0.01 -0.01 0.09 0.00 0.95 0.00 0.00 58.89 59.93 1ss1 h TRP 15 Cb 0.65 0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 29.04 1ss1 h TRP 15 CO -0.28 0.01 0.33 0.93 -1.05 0.00 0.00 178.44 178.37 1ss1 h GLU 16 N -0.65 0.00 0.21 0.49 4.39 -1.30 2.68 114.58 120.40 1ss1 h GLU 16 Ca -0.03 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.34 1ss1 h GLU 16 Cb 0.46 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.14 1ss1 h GLU 16 CO 0.06 0.00 -1.39 0.82 -1.16 0.00 0.00 179.01 177.33 1ss1 h ILE 17 N 0.00 1.28 0.00 3.13 1.08 0.59 -2.40 117.51 121.20 1ss1 h ILE 17 Ca 0.15 -2.61 -0.10 0.00 -0.39 0.00 0.00 64.86 61.92 1ss1 h ILE 17 Cb 0.80 2.92 -0.01 0.00 -3.07 0.00 0.00 36.82 37.46 1ss1 h ILE 17 CO -0.00 0.79 -0.46 0.25 -0.69 0.00 0.00 178.15 178.03 1ss1 h LEU 18 N 0.19 0.00 0.20 1.44 5.85 0.35 -3.33 115.31 120.02 1ss1 h LEU 18 Ca -0.23 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1ss1 h LEU 18 Cb 2.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1ss1 h LEU 18 CO 0.26 0.46 -0.10 -0.74 -0.34 0.00 0.00 178.44 177.99 1ss1 h HIS 19 N 0.00 -0.25 -0.85 1.25 2.76 0.43 -3.45 115.15 115.04 1ss1 h HIS 19 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1ss1 h HIS 19 Cb 1.03 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.07 1ss1 h HIS 19 CO 0.00 -0.16 0.00 1.28 -1.30 0.00 0.00 177.93 177.75 1ss1 n LEU 20 N -3.99 0.00 -4.55 0.26 4.77 -0.90 -4.61 117.00 107.97 1ss1 n LEU 20 Ca -0.03 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.64 1ss1 n LEU 20 Cb 0.11 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1ss1 n LEU 20 CO 0.08 0.00 1.65 -2.84 -1.33 0.00 0.00 177.39 174.95 1ss1 s PRO 21 N -0.46 2.19 0.00 3.23 0.02 -1.26 -1.27 135.00 137.46 1ss1 s PRO 21 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 61.00 61.79 1ss1 s PRO 21 Cb 0.00 -4.64 0.00 0.00 0.02 0.00 0.00 34.50 29.88 1ss1 s PRO 21 CO 0.00 -3.41 0.00 0.09 -0.33 0.00 0.00 177.00 173.35 1ss1 n ASN 22 N 15.44 0.00 -4.48 2.53 4.13 -1.26 -4.77 115.26 126.85 1ss1 n ASN 22 Ca 0.35 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.32 1ss1 n ASN 22 Cb 0.51 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.63 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ss1 s LEU 23 N 0.00 2.65 -0.16 3.41 2.96 -0.39 -3.38 118.68 123.76 1ss1 s LEU 23 Ca 0.00 -0.58 -0.36 0.00 -0.22 0.00 0.00 54.13 52.97 1ss1 s LEU 23 Cb 0.00 -1.50 -0.13 0.00 0.50 0.00 0.00 46.19 45.06 1ss1 s LEU 23 CO 0.00 0.18 1.87 0.59 -1.32 0.00 0.00 176.35 177.67 1ss1 n ASN 24 N 0.83 3.07 -0.02 3.68 4.13 -1.26 -4.79 115.26 120.90 1ss1 n ASN 24 Ca -0.16 0.96 0.02 0.00 1.68 0.00 0.00 54.58 57.08 1ss1 n ASN 24 Cb 0.53 -1.30 0.36 0.00 -1.54 0.00 0.00 39.78 37.83 1ss1 n ASN 24 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1ss1 h GLU 25 N 8.90 0.58 0.00 3.52 4.57 -1.97 0.62 114.58 130.81 1ss1 h GLU 25 Ca -0.47 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 1ss1 h GLU 25 Cb 1.29 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1ss1 h GLU 25 CO 0.96 0.46 -0.06 1.49 -1.18 0.00 0.00 179.01 180.68 1ss1 h GLU 26 N 0.58 0.00 -0.03 1.92 4.81 -1.99 0.36 114.58 120.23 1ss1 h GLU 26 Ca 0.15 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.16 1ss1 h GLU 26 Cb 0.08 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.48 1ss1 h GLU 26 CO -0.02 0.06 -0.83 0.37 -0.73 0.00 0.00 179.01 177.86 1ss1 h GLN 27 N 0.00 0.62 0.77 1.92 4.15 -0.22 -1.97 115.11 120.38 1ss1 h GLN 27 Ca -0.00 -0.63 -0.04 0.00 0.77 0.00 0.00 58.65 58.76 1ss1 h GLN 27 Cb 0.15 0.17 0.01 0.00 0.21 0.00 0.00 27.48 28.02 1ss1 h GLN 27 CO 0.01 1.23 -0.37 0.00 -1.93 0.00 0.00 178.83 177.77 1ss1 h ARG 28 N 0.25 -0.99 -0.36 1.69 3.08 0.19 -0.43 114.38 117.80 1ss1 h ARG 28 Ca -0.10 0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.09 1ss1 h ARG 28 Cb 1.50 0.23 -0.06 0.00 0.08 0.00 0.00 29.97 31.72 1ss1 h ARG 28 CO 0.17 -0.65 -0.01 -0.97 -1.07 0.00 0.00 179.97 177.43 1ss1 h ASN 29 N -1.10 -0.18 -0.37 7.04 -0.73 -0.56 -0.21 115.58 119.47 1ss1 h ASN 29 Ca -0.11 0.09 0.01 0.00 1.87 0.00 0.00 56.30 58.17 1ss1 h ASN 29 Cb 0.80 0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 1ss1 h ASN 29 CO 0.17 -0.05 0.25 1.23 -0.37 0.00 0.00 177.43 178.66 1ss1 h GLY 30 N 0.08 0.49 0.91 1.57 0.00 -1.30 -1.30 103.07 103.52 1ss1 h GLY 30 Ca 0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1ss1 h GLY 30 CO -0.31 0.17 -0.04 0.74 0.00 0.00 0.00 176.54 177.10 1ss1 h PHE 31 N 0.46 0.68 -0.79 5.60 0.04 0.59 -2.17 116.94 121.35 1ss1 h PHE 31 Ca 0.14 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1ss1 h PHE 31 Cb 0.01 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 1ss1 h PHE 31 CO -0.00 0.76 0.32 0.82 -0.60 0.00 0.00 178.31 179.61 1ss1 h ILE 32 N 0.41 1.26 0.00 -0.55 2.04 -0.39 -1.58 117.51 118.70 1ss1 h ILE 32 Ca 0.09 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1ss1 h ILE 32 Cb 0.52 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1ss1 h ILE 32 CO 0.03 0.33 -0.00 1.56 0.00 0.00 0.00 178.15 180.07 1ss1 h GLN 33 N 1.15 -0.01 -0.61 2.37 7.50 -1.16 1.97 115.11 126.32 1ss1 h GLN 33 Ca 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.40 1ss1 h GLN 33 Cb 0.21 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.71 1ss1 h GLN 33 CO -0.02 0.18 0.32 1.03 -1.50 0.00 0.00 178.83 178.84 1ss1 h SER 34 N -0.19 0.75 0.24 1.46 0.87 -1.33 -1.06 113.55 114.29 1ss1 h SER 34 Ca -0.00 -0.06 -0.21 0.00 -1.23 0.00 0.00 61.79 60.28 1ss1 h SER 34 Cb 0.19 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ss1 h SER 34 CO 0.00 0.62 -0.85 0.25 -0.53 0.00 0.00 176.83 176.32 1ss1 h LEU 35 N 0.85 0.58 0.21 2.23 5.85 -1.04 -2.72 115.31 121.27 1ss1 h LEU 35 Ca 0.21 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1ss1 h LEU 35 Cb 0.05 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1ss1 h LEU 35 CO -0.03 1.20 -0.45 0.07 -0.34 0.00 0.00 178.44 178.89 1ss1 h LYS 36 N 0.29 -0.72 0.00 1.25 5.09 0.44 -2.18 116.57 120.75 1ss1 h LYS 36 Ca -0.06 0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.73 1ss1 h LYS 36 Cb 1.47 0.16 0.00 0.00 0.10 0.00 0.00 32.23 33.96 1ss1 h LYS 36 CO 0.15 -0.48 0.00 0.38 -2.09 0.00 0.00 179.45 177.41 1ss1 h ASP 37 N -0.74 0.00 -3.69 7.07 3.04 -1.50 -3.41 116.42 117.18 1ss1 h ASP 37 Ca -0.00 0.00 -0.63 0.00 -3.24 0.00 0.00 57.03 53.16 1ss1 h ASP 37 Cb 0.73 0.00 -0.38 0.00 -1.04 0.00 0.00 39.33 38.64 1ss1 h ASP 37 CO -0.20 0.00 -0.78 -1.81 -2.04 0.00 0.00 179.24 174.41 1ss1 s ASP 38 N -4.78 4.12 0.07 4.15 1.01 -0.82 -4.98 116.67 115.43 1ss1 s ASP 38 Ca 0.07 -1.35 -0.10 0.00 0.71 0.00 0.00 52.55 51.89 1ss1 s ASP 38 Cb 0.10 -1.32 -0.28 0.00 1.01 0.00 0.00 42.92 42.44 1ss1 s ASP 38 CO 0.54 -0.24 1.12 1.55 0.21 0.00 0.00 175.17 178.35 1ss1 h PRO 39 N 7.87 0.45 0.00 8.23 0.13 -1.81 -3.20 132.00 143.66 1ss1 h PRO 39 Ca -0.17 -0.68 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1ss1 h PRO 39 Cb 1.06 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ss1 h PRO 39 CO 0.44 1.30 0.00 0.45 -0.23 0.00 0.00 178.00 179.96 1ss1 n SER 40 N -3.67 0.60 0.01 1.44 2.88 -1.26 -1.67 113.62 111.95 1ss1 n SER 40 Ca -0.12 0.67 0.12 0.00 -1.33 0.00 0.00 58.87 58.20 1ss1 n SER 40 Cb 1.01 -0.79 0.15 0.00 -0.75 0.00 0.00 64.21 63.83 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 -2.19 0.07 -0.55 -1.46 6.02 -1.21 -4.28 117.38 113.79 1ss1 n GLN 41 Ca 0.02 0.01 0.46 0.00 -0.01 0.00 0.00 57.00 57.47 1ss1 n GLN 41 Cb 0.20 -1.53 0.79 0.00 1.02 0.00 0.00 30.24 30.72 1ss1 n GLN 41 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ss1 h SER 42 N 0.00 0.00 0.11 1.08 4.64 -1.37 0.71 113.55 118.73 1ss1 h SER 42 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1ss1 h SER 42 Cb 0.56 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1ss1 h SER 42 CO 0.00 0.00 -0.78 0.00 -0.87 0.00 0.00 176.83 175.18 1ss1 h ALA 43 N 1.16 -0.06 -0.68 5.18 0.00 -1.81 -1.19 119.26 121.86 1ss1 h ALA 43 Ca 0.78 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1ss1 h ALA 43 Cb 3.16 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 21.01 1ss1 h ALA 43 CO -0.01 0.38 0.20 -0.91 0.00 0.00 0.00 179.25 178.91 1ss1 h ASN 44 N -0.31 0.99 0.05 0.00 4.21 0.03 -0.59 115.58 119.96 1ss1 h ASN 44 Ca -0.13 -0.18 -0.12 0.00 1.21 0.00 0.00 56.30 57.08 1ss1 h ASN 44 Cb 1.58 -0.26 0.01 0.00 -1.12 0.00 0.00 38.32 38.54 1ss1 h ASN 44 CO 0.15 0.93 -0.51 -0.07 -1.29 0.00 0.00 177.43 176.63 1ss1 h LEU 45 N 1.01 0.36 -1.24 1.61 -0.00 -0.90 -2.72 115.31 113.44 1ss1 h LEU 45 Ca 0.22 -0.86 -0.01 0.00 -0.00 0.00 0.00 57.88 57.23 1ss1 h LEU 45 Cb 0.30 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.81 1ss1 h LEU 45 CO -0.01 1.19 0.34 0.25 -0.00 0.00 0.00 178.44 180.21 1ss1 h LEU 46 N -0.41 0.77 0.01 1.67 7.12 -1.18 0.27 115.31 123.56 1ss1 h LEU 46 Ca -0.08 -0.06 -0.00 0.00 0.13 0.00 0.00 57.88 57.87 1ss1 h LEU 46 Cb 1.31 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1ss1 h LEU 46 CO 0.10 0.62 -0.01 0.00 -0.13 0.00 0.00 178.44 179.03 1ss1 h ALA 47 N 1.50 -0.02 -0.58 1.25 0.00 -1.20 -1.03 119.26 119.19 1ss1 h ALA 47 Ca 0.22 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1ss1 h ALA 47 Cb 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ss1 h ALA 47 CO -0.04 -0.13 0.05 1.05 0.00 0.00 0.00 179.25 180.18 1ss1 h GLU 48 N -0.78 0.97 -0.12 0.00 4.11 -1.42 -1.59 114.58 115.75 1ss1 h GLU 48 Ca -0.00 -0.26 -0.08 0.00 0.07 0.00 0.00 59.36 59.08 1ss1 h GLU 48 Cb 0.74 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1ss1 h GLU 48 CO 0.00 0.92 -0.24 0.00 0.07 0.00 0.00 179.01 179.77 1ss1 h ALA 49 N 1.14 0.19 -0.98 1.06 0.00 -0.57 -0.63 119.26 119.48 1ss1 h ALA 49 Ca 0.17 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1ss1 h ALA 49 Cb 0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1ss1 h ALA 49 CO 0.02 0.16 0.65 0.87 0.00 0.00 0.00 179.25 180.95 1ss1 h LYS 50 N -0.05 1.29 0.00 0.00 1.79 -1.11 -1.91 116.57 116.59 1ss1 h LYS 50 Ca 0.00 -0.08 -0.19 0.00 -2.18 0.00 0.00 60.65 58.20 1ss1 h LYS 50 Cb 0.82 -0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 1ss1 h LYS 50 CO 0.05 0.86 -0.86 0.87 -1.08 0.00 0.00 179.45 179.29 1ss1 h LYS 51 N 1.33 0.17 0.16 3.15 1.57 -1.30 -3.25 116.57 118.41 1ss1 h LYS 51 Ca 0.36 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1ss1 h LYS 51 Cb -0.15 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1ss1 h LYS 51 CO -0.08 0.93 -0.08 1.25 -0.57 0.00 0.00 179.45 180.91 1ss1 h LEU 52 N 0.10 -0.18 -1.28 2.94 5.85 -0.51 0.40 115.31 122.63 1ss1 h LEU 52 Ca -0.04 -0.03 0.23 0.00 0.84 0.00 0.00 57.88 58.88 1ss1 h LEU 52 Cb 1.48 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.47 1ss1 h LEU 52 CO 0.13 -0.09 0.63 -1.13 -0.34 0.00 0.00 178.44 177.64 1ss1 h ASN 53 N -0.26 0.55 1.01 1.25 -0.73 -1.44 1.05 115.58 117.01 1ss1 h ASN 53 Ca -0.02 0.08 -0.15 0.00 1.87 0.00 0.00 56.30 58.08 1ss1 h ASN 53 Cb 0.20 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1ss1 h ASN 53 CO 0.04 0.17 -0.71 0.44 -0.37 0.00 0.00 177.43 176.99 1ss1 h ASP 54 N 0.52 0.00 -0.49 1.15 5.19 -1.44 0.99 116.42 122.33 1ss1 h ASP 54 Ca 0.56 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 57.07 1ss1 h ASP 54 Cb 1.22 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.71 1ss1 h ASP 54 CO -0.30 0.71 0.34 0.00 -3.12 0.00 0.00 179.24 176.87 1ss1 h ALA 55 N 1.29 2.14 -3.00 3.45 0.00 0.55 -3.37 119.26 120.32 1ss1 h ALA 55 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ss1 h ALA 55 Cb 1.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ss1 h ALA 55 CO 0.09 -0.26 0.00 1.04 0.00 0.00 0.00 179.25 180.12 1ss1 n GLN 56 N -4.45 0.00 -0.27 0.00 6.02 -0.32 -4.92 117.38 113.44 1ss1 n GLN 56 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1ss1 n GLN 56 Cb 0.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.65 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 -3.00 -0.33 0.53 -1.58 0.00 0.34 -4.75 120.51 111.72 1ss1 n ALA 57 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ss1 n ALA 57 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 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 0.06 0.18 0.02 0.00 -0.04 -1.26 -3.01 135.00 130.96 1ss1 n PRO 58 Ca 0.00 0.30 -0.14 0.00 -0.04 0.00 0.00 63.50 63.62 1ss1 n PRO 58 Cb 0.00 -1.78 -0.14 0.00 -0.04 0.00 0.00 33.50 31.54 1ss1 n PRO 58 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ss1 h LYS 59 N 0.00 0.14 -0.01 0.54 3.11 -1.97 -3.54 116.57 114.84 1ss1 h LYS 59 Ca 0.00 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 1ss1 h LYS 59 Cb 0.49 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.81 1ss1 h LYS 59 CO 0.00 0.90 0.00 0.00 -2.81 0.00 0.00 179.45 177.54