#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss1 s SER 0 N 0.00 -0.61 0.24 1.61 1.04 -1.26 -5.05 113.70 109.66 1ss1 s SER 0 Ca 0.00 1.12 -0.14 0.00 0.48 0.00 0.00 55.95 57.40 1ss1 s SER 0 Cb 0.00 1.17 0.30 0.00 0.10 0.00 0.00 66.02 67.58 1ss1 s SER 0 CO 0.00 -0.19 1.57 0.71 0.98 0.00 0.00 173.24 176.31 1ss1 h THR 1 N 4.10 0.06 0.00 2.02 1.35 -2.06 -3.42 112.91 114.96 1ss1 h THR 1 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1ss1 h THR 1 Cb 1.18 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1ss1 h THR 1 CO 0.11 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.38 1ss1 n ALA 2 N -3.44 0.00 0.00 6.62 0.00 -1.26 -4.70 120.51 117.73 1ss1 n ALA 2 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ss1 n ALA 2 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1ss1 n ALA 2 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ss1 n ASP 3 N 1.93 0.00 -2.98 0.00 5.75 -1.26 -5.06 116.55 114.92 1ss1 n ASP 3 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.74 1ss1 n ASP 3 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1ss1 n ASP 3 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1ss1 n ASN 4 N 0.00 -7.84 -1.00 -1.12 4.13 -1.26 -4.79 115.26 103.37 1ss1 n ASN 4 Ca 0.00 0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.43 1ss1 n ASN 4 Cb 0.00 -5.31 0.00 0.00 -1.54 0.00 0.00 39.78 32.93 1ss1 n ASN 4 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1ss1 n LYS 5 N -1.17 0.45 -0.71 3.52 0.00 -1.26 -4.86 118.16 114.13 1ss1 n LYS 5 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.05 1ss1 n LYS 5 Cb 0.49 -1.27 0.18 0.00 0.00 0.00 0.00 35.03 34.42 1ss1 n LYS 5 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1ss1 s PHE 6 N 0.55 1.63 0.00 5.64 0.40 -1.26 -5.03 117.98 119.92 1ss1 s PHE 6 Ca 0.00 1.68 0.00 0.00 -0.60 0.00 0.00 56.93 58.01 1ss1 s PHE 6 Cb 0.00 -3.29 0.00 0.00 0.51 0.00 0.00 43.02 40.24 1ss1 s PHE 6 CO 0.00 -2.92 0.00 0.09 0.70 0.00 0.00 175.22 173.09 1ss1 n ASN 7 N -4.30 1.42 -0.17 1.36 4.13 -1.26 -4.70 115.26 111.74 1ss1 n ASN 7 Ca 0.10 -0.99 0.17 0.00 1.68 0.00 0.00 54.58 55.54 1ss1 n ASN 7 Cb 0.52 0.00 0.53 0.00 -1.54 0.00 0.00 39.78 39.29 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 0.36 0.01 3.52 -0.00 -1.96 1.42 116.57 119.91 1ss1 h LYS 8 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.65 60.63 1ss1 h LYS 8 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.15 1ss1 h LYS 8 CO 0.00 0.24 -0.00 0.93 -0.00 0.00 0.00 179.45 180.62 1ss1 h GLU 9 N 0.37 -0.01 -0.01 0.07 3.07 -1.99 -3.03 114.58 113.05 1ss1 h GLU 9 Ca 0.38 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 1ss1 h GLU 9 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1ss1 h GLU 9 CO -0.12 0.85 -0.02 0.37 -1.40 0.00 0.00 179.01 178.69 1ss1 h GLN 10 N -0.92 0.03 -0.57 2.33 5.75 -1.77 -3.21 115.11 116.75 1ss1 h GLN 10 Ca -0.00 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.56 1ss1 h GLN 10 Cb 0.86 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.38 1ss1 h GLN 10 CO 0.00 0.62 0.38 0.37 -2.65 0.00 0.00 178.83 177.55 1ss1 h GLN 11 N -0.55 0.42 -0.97 1.69 4.15 0.17 -0.87 115.11 119.15 1ss1 h GLN 11 Ca -0.00 -0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.55 1ss1 h GLN 11 Cb 0.62 -0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.13 1ss1 h GLN 11 CO 0.00 0.28 0.61 -0.97 -1.93 0.00 0.00 178.83 176.82 1ss1 h ASN 12 N 0.43 0.75 -0.95 -0.69 -0.00 -1.53 0.27 115.58 113.87 1ss1 h ASN 12 Ca 0.26 0.06 0.11 0.00 -0.00 0.00 0.00 56.30 56.73 1ss1 h ASN 12 Cb 0.45 -0.08 -0.08 0.00 -0.00 0.00 0.00 38.32 38.60 1ss1 h ASN 12 CO -0.07 0.34 0.58 0.00 -0.00 0.00 0.00 177.43 178.28 1ss1 h ALA 13 N 1.60 1.41 0.29 1.57 0.00 -1.25 -1.77 119.26 121.11 1ss1 h ALA 13 Ca 0.51 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1ss1 h ALA 13 Cb 0.77 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ss1 h ALA 13 CO -0.28 0.18 -0.35 0.35 0.00 0.00 0.00 179.25 179.14 1ss1 h PHE 14 N 0.92 -0.96 0.73 0.00 3.57 -1.05 0.42 116.94 120.58 1ss1 h PHE 14 Ca 0.47 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.94 1ss1 h PHE 14 Cb 0.46 0.38 0.01 0.00 2.79 0.00 0.00 35.95 39.59 1ss1 h PHE 14 CO -0.02 -0.49 -0.36 2.35 -2.23 0.00 0.00 178.31 177.56 1ss1 h TRP 15 N -0.69 -0.93 -0.27 0.41 7.01 -1.49 0.58 115.95 120.56 1ss1 h TRP 15 Ca -0.01 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.05 1ss1 h TRP 15 Cb 0.65 0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 1ss1 h TRP 15 CO -0.23 -0.58 0.28 1.49 -2.79 0.00 0.00 178.44 176.62 1ss1 h GLU 16 N -0.99 0.00 0.04 2.65 4.57 -1.30 1.70 114.58 121.25 1ss1 h GLU 16 Ca -0.10 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.00 1ss1 h GLU 16 Cb 0.76 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1ss1 h GLU 16 CO 0.16 0.00 -0.36 0.82 -1.18 0.00 0.00 179.01 178.45 1ss1 h ILE 17 N 0.00 1.60 -0.03 2.32 2.04 0.51 -1.94 117.51 122.01 1ss1 h ILE 17 Ca 0.13 -2.22 -0.13 0.00 1.00 0.00 0.00 64.86 63.64 1ss1 h ILE 17 Cb 0.69 3.04 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 1ss1 h ILE 17 CO -0.00 0.61 -0.59 -0.07 0.00 0.00 0.00 178.15 178.10 1ss1 h LEU 18 N -0.57 0.10 0.17 1.44 -0.00 0.23 -3.32 115.31 113.35 1ss1 h LEU 18 Ca -0.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.76 1ss1 h LEU 18 Cb 1.19 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1ss1 h LEU 18 CO 0.07 0.67 -0.08 -0.74 -0.00 0.00 0.00 178.44 178.35 1ss1 h HIS 19 N 0.06 -0.21 -6.41 1.13 2.76 0.23 -3.46 115.15 109.25 1ss1 h HIS 19 Ca -0.01 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1ss1 h HIS 19 Cb 1.06 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.09 1ss1 h HIS 19 CO 0.01 -0.13 0.00 1.28 -1.30 0.00 0.00 177.93 177.79 1ss1 n LEU 20 N -4.30 0.00 -4.56 0.26 4.77 -0.73 -4.60 117.00 107.84 1ss1 n LEU 20 Ca -0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 1ss1 n LEU 20 Cb 0.09 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1ss1 n LEU 20 CO 0.07 0.00 1.50 -2.84 -1.33 0.00 0.00 177.39 174.79 1ss1 s PRO 21 N -4.20 1.92 0.00 3.23 0.02 -1.26 -1.36 135.00 133.35 1ss1 s PRO 21 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 61.00 61.71 1ss1 s PRO 21 Cb 0.00 -4.73 0.00 0.00 0.02 0.00 0.00 34.50 29.79 1ss1 s PRO 21 CO 0.00 -3.87 0.00 0.09 -0.33 0.00 0.00 177.00 172.89 1ss1 n ASN 22 N 16.94 0.00 -4.35 2.53 4.13 -1.26 -4.97 115.26 128.28 1ss1 n ASN 22 Ca 0.41 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.42 1ss1 n ASN 22 Cb 0.48 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.60 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 2.37 -0.29 3.41 0.20 -0.46 -3.56 118.68 120.34 1ss1 s LEU 23 Ca 0.00 -0.79 -0.31 0.00 0.69 0.00 0.00 54.13 53.73 1ss1 s LEU 23 Cb 0.00 -1.00 -0.08 0.00 -0.43 0.00 0.00 46.19 44.68 1ss1 s LEU 23 CO 0.00 0.07 2.23 -3.20 -0.29 0.00 0.00 176.35 175.17 1ss1 n ASN 24 N 0.66 2.75 0.27 3.68 4.05 -1.26 -4.77 115.26 120.64 1ss1 n ASN 24 Ca -0.16 0.23 0.18 0.00 0.45 0.00 0.00 54.58 55.27 1ss1 n ASN 24 Cb 0.55 -1.44 0.86 0.00 1.23 0.00 0.00 39.78 40.97 1ss1 n ASN 24 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1ss1 h GLU 25 N 14.39 0.00 0.00 1.20 4.57 -1.97 1.60 114.58 134.37 1ss1 h GLU 25 Ca -0.34 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.76 1ss1 h GLU 25 Cb 1.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1ss1 h GLU 25 CO 1.00 0.00 -0.37 1.49 -1.18 0.00 0.00 179.01 179.95 1ss1 h GLU 26 N 0.00 0.00 -0.02 1.92 4.81 -2.00 0.72 114.58 120.01 1ss1 h GLU 26 Ca 0.05 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.04 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 0.37 -0.95 0.37 -0.73 0.00 0.00 179.01 178.07 1ss1 h GLN 27 N 0.00 0.55 0.70 1.92 5.75 0.19 -2.39 115.11 121.84 1ss1 h GLN 27 Ca -0.00 -0.57 -0.03 0.00 -0.15 0.00 0.00 58.65 57.90 1ss1 h GLN 27 Cb 0.72 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 1ss1 h GLN 27 CO 0.05 1.19 -0.46 0.00 -2.65 0.00 0.00 178.83 176.95 1ss1 h ARG 28 N 0.33 -1.07 -0.32 1.69 3.08 -0.04 0.24 114.38 118.28 1ss1 h ARG 28 Ca -0.09 0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.10 1ss1 h ARG 28 Cb 1.58 0.24 -0.08 0.00 0.08 0.00 0.00 29.97 31.79 1ss1 h ARG 28 CO 0.17 -0.71 -0.27 -0.97 -1.07 0.00 0.00 179.97 177.13 1ss1 h ASN 29 N -1.11 -0.87 -0.93 7.04 -1.24 -0.97 0.32 115.58 117.82 1ss1 h ASN 29 Ca -0.09 0.16 0.19 0.00 0.71 0.00 0.00 56.30 57.27 1ss1 h ASN 29 Cb 0.90 0.42 -0.08 0.00 0.73 0.00 0.00 38.32 40.29 1ss1 h ASN 29 CO 0.07 -0.29 0.60 1.23 -1.29 0.00 0.00 177.43 177.76 1ss1 h GLY 30 N -0.23 1.14 1.25 1.57 0.00 -1.22 0.18 103.07 105.76 1ss1 h GLY 30 Ca 0.16 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 1ss1 h GLY 30 CO -0.46 -0.01 -0.26 0.74 0.00 0.00 0.00 176.54 176.55 1ss1 h PHE 31 N 0.53 0.99 -0.10 5.60 0.04 0.17 -2.18 116.94 121.98 1ss1 h PHE 31 Ca 0.50 -0.25 -0.01 0.00 2.80 0.00 0.00 57.97 61.01 1ss1 h PHE 31 Cb 1.06 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.98 1ss1 h PHE 31 CO -0.00 1.02 0.01 0.82 -0.60 0.00 0.00 178.31 179.56 1ss1 h ILE 32 N 0.73 1.23 -0.07 -0.55 2.04 0.17 -1.55 117.51 119.51 1ss1 h ILE 32 Ca 0.09 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1ss1 h ILE 32 Cb 0.81 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1ss1 h ILE 32 CO 0.07 0.21 -0.00 1.56 0.00 0.00 0.00 178.15 179.98 1ss1 h GLN 33 N -0.08 0.02 -0.85 2.37 1.08 -1.17 1.91 115.11 118.39 1ss1 h GLN 33 Ca 0.03 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.28 1ss1 h GLN 33 Cb 0.31 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 1ss1 h GLN 33 CO 0.00 0.01 0.53 1.03 -0.95 0.00 0.00 178.83 179.46 1ss1 h SER 34 N 0.02 0.85 0.92 1.46 0.87 -1.39 -0.20 113.55 116.08 1ss1 h SER 34 Ca 0.03 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 1ss1 h SER 34 Cb 0.04 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1ss1 h SER 34 CO -0.05 0.56 -0.75 0.25 -0.53 0.00 0.00 176.83 176.30 1ss1 h LEU 35 N 0.99 0.00 -0.61 2.23 5.85 -0.79 -3.27 115.31 119.71 1ss1 h LEU 35 Ca 0.36 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 1ss1 h LEU 35 Cb 0.12 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1ss1 h LEU 35 CO -0.15 0.75 -0.16 0.50 -0.34 0.00 0.00 178.44 179.04 1ss1 h LYS 36 N 0.00 0.00 0.00 1.25 1.63 0.43 -3.06 116.57 116.81 1ss1 h LYS 36 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ss1 h LYS 36 Cb 1.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.05 1ss1 h LYS 36 CO 0.10 0.16 -0.49 -0.25 -3.45 0.00 0.00 179.45 175.52 1ss1 n ASP 37 N -3.20 0.51 -3.67 4.20 8.00 -0.21 -4.74 116.55 117.43 1ss1 n ASP 37 Ca 0.02 -0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.34 1ss1 n ASP 37 Cb 0.50 0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.67 1ss1 n ASP 37 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ss1 s ASP 38 N -3.35 -0.67 0.11 -2.24 -1.08 -1.16 -5.05 116.67 103.24 1ss1 s ASP 38 Ca 0.10 1.19 0.14 0.00 -0.52 0.00 0.00 52.55 53.46 1ss1 s ASP 38 Cb 0.16 1.13 -0.11 0.00 -1.46 0.00 0.00 42.92 42.64 1ss1 s ASP 38 CO 0.69 -0.21 1.01 1.55 0.52 0.00 0.00 175.17 178.74 1ss1 h PRO 39 N 6.19 0.00 0.00 4.34 0.13 -1.90 -3.29 132.00 137.46 1ss1 h PRO 39 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ss1 h PRO 39 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ss1 h PRO 39 CO 0.19 0.47 0.00 0.43 -0.23 0.00 0.00 178.00 178.86 1ss1 n SER 40 N -3.06 0.18 0.02 1.44 7.64 -1.26 -1.78 113.62 116.79 1ss1 n SER 40 Ca -0.07 0.55 0.11 0.00 1.01 0.00 0.00 58.87 60.48 1ss1 n SER 40 Cb 0.86 -0.59 0.07 0.00 -1.01 0.00 0.00 64.21 63.54 1ss1 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ss1 n GLN 41 N -1.70 0.17 -0.56 1.43 1.13 -1.24 -4.36 117.38 112.24 1ss1 n GLN 41 Ca 0.03 0.00 0.45 0.00 -1.94 0.00 0.00 57.00 55.54 1ss1 n GLN 41 Cb 0.16 -1.56 0.74 0.00 0.11 0.00 0.00 30.24 29.69 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 0.00 0.12 0.06 1.08 0.87 -1.51 0.66 113.55 114.82 1ss1 h SER 42 Ca 0.00 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 1ss1 h SER 42 Cb 0.64 0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1ss1 h SER 42 CO 0.00 -0.14 -0.59 0.00 -0.53 0.00 0.00 176.83 175.58 1ss1 h ALA 43 N 1.36 -0.01 -0.62 6.23 0.00 -1.82 -1.29 119.26 123.11 1ss1 h ALA 43 Ca 0.89 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1ss1 h ALA 43 Cb 3.18 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 20.99 1ss1 h ALA 43 CO -0.27 0.29 0.14 -0.97 0.00 0.00 0.00 179.25 178.45 1ss1 h ASN 44 N -0.35 0.92 0.06 0.00 -0.73 -0.10 -1.99 115.58 113.39 1ss1 h ASN 44 Ca -0.09 -0.18 -0.17 0.00 1.87 0.00 0.00 56.30 57.72 1ss1 h ASN 44 Cb 1.38 -0.24 0.02 0.00 0.27 0.00 0.00 38.32 39.74 1ss1 h ASN 44 CO 0.11 0.90 -0.71 -0.07 -0.37 0.00 0.00 177.43 177.29 1ss1 h LEU 45 N 0.93 0.52 0.37 0.34 -0.00 -0.87 -2.79 115.31 113.80 1ss1 h LEU 45 Ca 0.20 -0.84 -0.00 0.00 -0.00 0.00 0.00 57.88 57.24 1ss1 h LEU 45 Cb 0.34 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 1ss1 h LEU 45 CO 0.00 1.30 -0.38 0.25 -0.00 0.00 0.00 178.44 179.61 1ss1 h LEU 46 N -0.19 -1.04 -0.01 1.67 5.85 -1.16 0.12 115.31 120.55 1ss1 h LEU 46 Ca -0.11 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ss1 h LEU 46 Cb 1.46 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 1ss1 h LEU 46 CO 0.14 -0.52 0.00 0.00 -0.34 0.00 0.00 178.44 177.72 1ss1 h ALA 47 N -0.36 0.01 -0.77 1.25 0.00 -1.51 0.26 119.26 118.14 1ss1 h ALA 47 Ca -0.03 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1ss1 h ALA 47 Cb 0.70 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1ss1 h ALA 47 CO -0.07 -0.49 0.43 0.93 0.00 0.00 0.00 179.25 180.05 1ss1 h GLU 48 N 0.00 0.73 -0.06 0.00 4.39 -1.38 0.19 114.58 118.44 1ss1 h GLU 48 Ca 0.00 -0.04 -0.20 0.00 0.34 0.00 0.00 59.36 59.46 1ss1 h GLU 48 Cb 0.01 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1ss1 h GLU 48 CO -0.00 0.48 -0.78 0.00 -1.16 0.00 0.00 179.01 177.55 1ss1 h ALA 49 N 1.42 0.52 -0.42 3.43 0.00 -0.51 -1.58 119.26 122.12 1ss1 h ALA 49 Ca 0.37 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1ss1 h ALA 49 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ss1 h ALA 49 CO -0.23 0.77 -0.21 0.87 0.00 0.00 0.00 179.25 180.45 1ss1 h LYS 50 N 0.28 0.84 0.13 0.00 1.79 0.37 -1.96 116.57 118.01 1ss1 h LYS 50 Ca -0.04 -0.34 -0.28 0.00 -2.18 0.00 0.00 60.65 57.81 1ss1 h LYS 50 Cb 1.38 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 32.00 1ss1 h LYS 50 CO 0.14 0.97 -1.23 1.57 -1.08 0.00 0.00 179.45 179.82 1ss1 h LYS 51 N 0.73 0.40 -0.18 3.15 2.10 -0.68 -3.05 116.57 119.04 1ss1 h LYS 51 Ca 0.10 -0.60 -0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1ss1 h LYS 51 Cb 0.74 0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 1ss1 h LYS 51 CO 0.06 1.26 0.09 1.25 -2.00 0.00 0.00 179.45 180.12 1ss1 h LEU 52 N 0.15 0.23 -1.61 7.07 6.46 -1.24 0.16 115.31 126.53 1ss1 h LEU 52 Ca -0.15 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1ss1 h LEU 52 Cb 1.93 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.78 1ss1 h LEU 52 CO 0.22 0.27 0.19 -1.13 -0.62 0.00 0.00 178.44 177.36 1ss1 h ASN 53 N 0.18 0.39 1.00 1.25 -0.73 -1.45 -0.84 115.58 115.37 1ss1 h ASN 53 Ca 0.06 -0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.07 1ss1 h ASN 53 Cb 0.09 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 1ss1 h ASN 53 CO -0.01 0.32 -0.67 -0.78 -0.37 0.00 0.00 177.43 175.91 1ss1 h ASP 54 N 0.46 0.00 1.00 1.15 1.82 -1.32 0.51 116.42 120.04 1ss1 h ASP 54 Ca 0.12 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.56 1ss1 h ASP 54 Cb 0.01 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 1ss1 h ASP 54 CO -0.02 0.67 -1.02 0.00 -1.61 0.00 0.00 179.24 177.26 1ss1 h ALA 55 N 1.33 0.45 -0.04 -0.78 0.00 -0.05 -3.34 119.26 116.82 1ss1 h ALA 55 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1ss1 h ALA 55 Cb 1.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ss1 h ALA 55 CO 0.09 1.19 0.00 0.00 0.00 0.00 0.00 179.25 180.53 1ss1 n GLN 56 N -3.29 0.64 -1.57 0.00 10.64 -0.41 -5.01 117.38 118.39 1ss1 n GLN 56 Ca -0.02 -1.05 -0.43 0.00 -1.83 0.00 0.00 57.00 53.67 1ss1 n GLN 56 Cb 0.92 -1.09 -0.04 0.00 -0.86 0.00 0.00 30.24 29.18 1ss1 n GLN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ss1 n ALA 57 N 0.13 1.58 -2.01 2.61 0.00 0.18 -4.83 120.51 118.16 1ss1 n ALA 57 Ca 0.03 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 1ss1 n ALA 57 Cb 0.17 -2.91 -0.03 0.00 0.00 0.00 0.00 19.45 16.68 1ss1 n ALA 57 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ss1 s PRO 58 N 6.62 4.37 -0.38 0.00 0.04 -1.25 -4.92 135.00 139.47 1ss1 s PRO 58 Ca 1.02 2.08 0.08 0.00 0.04 0.00 0.00 61.00 64.22 1ss1 s PRO 58 Cb -0.38 -3.19 0.33 0.00 0.04 0.00 0.00 34.50 31.30 1ss1 s PRO 58 CO 0.36 -0.29 1.31 1.17 0.04 0.00 0.00 177.00 179.58 1ss1 n LYS 59 N 2.77 1.03 0.00 4.56 4.81 -1.26 -4.98 118.16 125.09 1ss1 n LYS 59 Ca 0.07 -1.58 0.11 0.00 -0.87 0.00 0.00 58.31 56.04 1ss1 n LYS 59 Cb 0.42 -0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.56 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57