#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 -8.47 0.11 1.61 3.41 -1.26 -5.06 113.62 103.96 1ss1 n SER 0 Ca 0.00 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1ss1 n SER 0 Cb 0.00 -4.27 0.00 0.00 -0.26 0.00 0.00 64.21 59.68 1ss1 n SER 0 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ss1 n THR 1 N 0.44 0.00 -2.51 6.66 -1.04 -1.26 -5.12 114.28 111.45 1ss1 n THR 1 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1ss1 n THR 1 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ss1 n THR 1 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ss1 n ALA 2 N -2.93 -3.24 -0.17 2.41 0.00 -1.26 -5.04 120.51 110.28 1ss1 n ALA 2 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1ss1 n ALA 2 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 0.19 0.00 -4.54 0.00 8.00 -1.26 -5.02 116.55 113.92 1ss1 n ASP 3 Ca 0.04 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.25 1ss1 n ASP 3 Cb 0.15 -0.42 0.23 0.00 -0.02 0.00 0.00 41.12 41.07 1ss1 n ASP 3 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ss1 s ASN 4 N -3.50 1.42 -0.31 -2.24 2.20 -1.26 -5.04 114.94 106.20 1ss1 s ASN 4 Ca 0.00 1.55 -0.12 0.00 -0.94 0.00 0.00 52.86 53.35 1ss1 s ASN 4 Cb 0.00 -2.28 0.19 0.00 -2.00 0.00 0.00 41.25 37.16 1ss1 s ASN 4 CO 0.00 -3.94 1.09 -0.75 -2.94 0.00 0.00 177.10 170.57 1ss1 s LYS 5 N -4.55 0.11 -0.68 3.55 2.47 -1.26 -5.07 119.74 114.31 1ss1 s LYS 5 Ca 0.68 0.00 -0.25 0.00 -1.56 0.00 0.00 55.97 54.84 1ss1 s LYS 5 Cb -0.24 0.02 -0.21 0.00 -1.46 0.00 0.00 37.83 35.95 1ss1 s LYS 5 CO 0.63 -0.16 1.86 1.19 0.16 0.00 0.00 175.35 179.02 1ss1 n PHE 6 N 4.13 1.48 0.00 4.03 3.72 -1.26 -4.89 117.46 124.68 1ss1 n PHE 6 Ca 0.07 -1.29 0.00 0.00 -0.05 0.00 0.00 57.45 56.18 1ss1 n PHE 6 Cb 0.62 -1.70 0.00 0.00 -0.94 0.00 0.00 39.48 37.46 1ss1 n PHE 6 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ss1 n ASN 7 N 10.09 -1.18 -0.09 4.37 5.03 -1.26 -2.39 115.26 129.83 1ss1 n ASN 7 Ca 0.47 0.00 0.20 0.00 0.87 0.00 0.00 54.58 56.13 1ss1 n ASN 7 Cb 0.42 0.00 0.64 0.00 -1.02 0.00 0.00 39.78 39.82 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 1ss1 h LYS 8 N 0.00 0.13 -0.01 3.52 2.10 -1.97 0.99 116.57 121.32 1ss1 h LYS 8 Ca 0.00 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 1ss1 h LYS 8 Cb 0.00 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 1ss1 h LYS 8 CO 0.00 0.08 -0.13 0.93 -2.00 0.00 0.00 179.45 178.34 1ss1 h GLU 9 N 0.13 0.10 0.18 0.07 4.39 -1.97 -3.17 114.58 114.32 1ss1 h GLU 9 Ca 0.33 -0.10 -0.30 0.00 0.34 0.00 0.00 59.36 59.63 1ss1 h GLU 9 Cb 1.11 0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.81 1ss1 h GLU 9 CO -0.04 0.81 -1.34 0.37 -1.16 0.00 0.00 179.01 177.65 1ss1 h GLN 10 N -0.57 0.38 -0.99 2.33 5.75 -1.66 -3.32 115.11 117.04 1ss1 h GLN 10 Ca -0.01 -0.65 0.09 0.00 -0.15 0.00 0.00 58.65 57.93 1ss1 h GLN 10 Cb 0.85 0.24 -0.07 0.00 1.07 0.00 0.00 27.48 29.57 1ss1 h GLN 10 CO 0.03 1.31 0.63 0.37 -2.65 0.00 0.00 178.83 178.52 1ss1 h GLN 11 N 0.11 1.03 -0.93 1.69 -0.00 0.14 -0.91 115.11 116.24 1ss1 h GLN 11 Ca -0.18 -0.06 0.20 0.00 -0.00 0.00 0.00 58.65 58.60 1ss1 h GLN 11 Cb 2.05 -0.23 -0.08 0.00 0.00 0.00 0.00 27.48 29.22 1ss1 h GLN 11 CO 0.23 0.68 0.60 -0.97 0.00 0.00 0.00 178.83 179.38 1ss1 h ASN 12 N 1.06 0.52 -0.57 -0.69 -0.73 -1.64 0.74 115.58 114.27 1ss1 h ASN 12 Ca 0.46 0.05 0.08 0.00 1.87 0.00 0.00 56.30 58.76 1ss1 h ASN 12 Cb 0.34 -0.04 -0.06 0.00 0.27 0.00 0.00 38.32 38.83 1ss1 h ASN 12 CO -0.21 0.21 0.24 0.00 -0.37 0.00 0.00 177.43 177.29 1ss1 h ALA 13 N 1.61 0.74 0.29 1.57 0.00 -1.34 -1.67 119.26 120.47 1ss1 h ALA 13 Ca 0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1ss1 h ALA 13 Cb 1.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1ss1 h ALA 13 CO -0.23 -0.15 -0.33 0.35 0.00 0.00 0.00 179.25 178.89 1ss1 h PHE 14 N 0.44 -0.90 -0.86 0.00 3.04 -0.93 -1.05 116.94 116.68 1ss1 h PHE 14 Ca 0.28 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.34 1ss1 h PHE 14 Cb 0.29 0.36 -0.06 0.00 2.56 0.00 0.00 35.95 39.09 1ss1 h PHE 14 CO -0.14 -0.46 0.56 -1.49 -2.02 0.00 0.00 178.31 174.75 1ss1 h TRP 15 N -0.66 0.88 0.30 0.41 4.06 -1.38 -0.92 115.95 118.64 1ss1 h TRP 15 Ca -0.01 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 1ss1 h TRP 15 Cb 0.62 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.50 1ss1 h TRP 15 CO -0.22 0.39 -0.15 0.93 -3.56 0.00 0.00 178.44 175.84 1ss1 h GLU 16 N 0.80 -0.39 -0.96 0.49 4.39 -0.85 1.58 114.58 119.65 1ss1 h GLU 16 Ca 0.41 0.03 0.23 0.00 0.34 0.00 0.00 59.36 60.36 1ss1 h GLU 16 Cb 0.48 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 29.10 1ss1 h GLU 16 CO -0.17 -0.10 0.52 0.82 -1.16 0.00 0.00 179.01 178.92 1ss1 h ILE 17 N -0.67 0.55 0.03 3.13 2.04 -0.58 0.95 117.51 122.96 1ss1 h ILE 17 Ca -0.04 -0.19 -0.22 0.00 1.00 0.00 0.00 64.86 65.41 1ss1 h ILE 17 Cb 0.47 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1ss1 h ILE 17 CO 0.07 0.10 -1.02 -0.07 0.00 0.00 0.00 178.15 177.22 1ss1 h LEU 18 N 0.55 0.12 -1.64 1.44 4.07 -0.93 -3.22 115.31 115.70 1ss1 h LEU 18 Ca 0.60 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.44 1ss1 h LEU 18 Cb 1.10 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1ss1 h LEU 18 CO -0.47 1.06 0.00 1.57 -1.08 0.00 0.00 178.44 179.52 1ss1 n HIS 19 N -3.45 0.66 -2.41 1.13 -0.00 0.54 -4.84 115.22 106.85 1ss1 n HIS 19 Ca -0.02 -0.28 -0.41 0.00 0.46 0.00 0.00 57.72 57.47 1ss1 n HIS 19 Cb 0.93 -0.09 -0.03 0.00 -0.12 0.00 0.00 29.99 30.68 1ss1 n HIS 19 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1ss1 s LEU 20 N -1.11 3.23 -0.72 0.27 1.43 0.27 -4.93 118.68 117.12 1ss1 s LEU 20 Ca 0.26 -0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 52.96 1ss1 s LEU 20 Cb 0.15 -2.64 -0.06 0.00 0.03 0.00 0.00 46.19 43.68 1ss1 s LEU 20 CO 0.14 -1.94 2.07 -2.84 0.23 0.00 0.00 176.35 174.01 1ss1 s PRO 21 N 6.00 2.35 0.00 1.29 0.02 -1.26 -1.96 135.00 141.44 1ss1 s PRO 21 Ca 0.45 0.41 0.00 0.00 0.02 0.00 0.00 61.00 61.88 1ss1 s PRO 21 Cb -0.09 -4.71 0.00 0.00 0.02 0.00 0.00 34.50 29.71 1ss1 s PRO 21 CO 0.18 -3.32 0.00 -1.71 -0.33 0.00 0.00 177.00 171.82 1ss1 n ASN 22 N 14.64 0.00 -4.77 2.53 2.85 -1.26 -4.93 115.26 124.32 1ss1 n ASN 22 Ca 0.34 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.42 1ss1 n ASN 22 Cb 0.49 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.46 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1ss1 s LEU 23 N 0.00 4.48 -0.41 1.20 2.96 -0.83 -4.51 118.68 121.57 1ss1 s LEU 23 Ca 0.00 1.38 -0.44 0.00 -0.22 0.00 0.00 54.13 54.85 1ss1 s LEU 23 Cb 0.00 -3.10 -0.18 0.00 0.50 0.00 0.00 46.19 43.41 1ss1 s LEU 23 CO 0.00 0.12 1.71 -3.20 -1.32 0.00 0.00 176.35 173.66 1ss1 n ASN 24 N 2.35 1.68 0.32 3.68 4.05 -1.26 -4.67 115.26 121.41 1ss1 n ASN 24 Ca -0.06 1.09 0.20 0.00 0.45 0.00 0.00 54.58 56.27 1ss1 n ASN 24 Cb 0.50 -0.99 1.05 0.00 1.23 0.00 0.00 39.78 41.57 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 6.32 0.00 0.00 1.20 9.09 -1.94 1.07 114.58 130.33 1ss1 h GLU 25 Ca -0.43 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 58.86 1ss1 h GLU 25 Cb 1.35 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.43 1ss1 h GLU 25 CO 0.98 0.01 -0.60 1.49 0.05 0.00 0.00 179.01 180.95 1ss1 h GLU 26 N 0.00 0.00 0.01 1.06 4.81 -1.99 -0.98 114.58 117.49 1ss1 h GLU 26 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1ss1 h GLU 26 Cb 0.11 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.51 1ss1 h GLU 26 CO 0.00 0.60 -1.04 1.96 -0.73 0.00 0.00 179.01 179.80 1ss1 h GLN 27 N 0.00 0.63 -0.83 1.92 1.08 0.55 0.40 115.11 118.85 1ss1 h GLN 27 Ca -0.01 -0.70 -0.03 0.00 -1.45 0.00 0.00 58.65 56.47 1ss1 h GLN 27 Cb 1.27 0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 28.86 1ss1 h GLN 27 CO 0.08 1.29 0.41 0.00 -0.95 0.00 0.00 178.83 179.66 1ss1 h ARG 28 N 0.35 1.19 0.09 1.46 3.08 0.40 0.23 114.38 121.19 1ss1 h ARG 28 Ca -0.12 -0.17 -0.21 0.00 0.07 0.00 0.00 59.98 59.54 1ss1 h ARG 28 Cb 1.69 -0.22 0.02 0.00 0.08 0.00 0.00 29.97 31.55 1ss1 h ARG 28 CO 0.20 0.91 -0.89 -0.97 -1.07 0.00 0.00 179.97 178.14 1ss1 h ASN 29 N 1.19 0.63 -0.73 7.04 -0.00 -1.18 -3.10 115.58 119.42 1ss1 h ASN 29 Ca 0.29 -0.85 0.08 0.00 -0.00 0.00 0.00 56.30 55.82 1ss1 h ASN 29 Cb 0.10 -0.20 -0.05 0.00 -0.00 0.00 0.00 38.32 38.18 1ss1 h ASN 29 CO -0.04 1.41 0.48 1.23 -0.00 0.00 0.00 177.43 180.52 1ss1 h GLY 30 N -0.07 0.95 1.20 1.57 0.00 -0.70 -0.66 103.07 105.35 1ss1 h GLY 30 Ca -0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1ss1 h GLY 30 CO 0.17 0.19 -0.11 0.74 0.00 0.00 0.00 176.54 177.54 1ss1 h PHE 31 N 0.71 1.05 -0.55 5.60 0.04 -0.99 -1.90 116.94 120.90 1ss1 h PHE 31 Ca 0.33 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 1ss1 h PHE 31 Cb 0.35 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1ss1 h PHE 31 CO -0.00 0.99 0.18 0.82 -0.60 0.00 0.00 178.31 179.69 1ss1 h ILE 32 N 0.84 1.23 -0.05 -0.55 2.04 -1.07 0.41 117.51 120.37 1ss1 h ILE 32 Ca 0.13 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1ss1 h ILE 32 Cb 0.65 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1ss1 h ILE 32 CO 0.04 0.29 -0.02 0.06 0.00 0.00 0.00 178.15 178.53 1ss1 h GLN 33 N 0.76 0.10 -0.44 2.37 3.07 -1.24 0.67 115.11 120.40 1ss1 h GLN 33 Ca 0.18 -0.04 -0.07 0.00 0.09 0.00 0.00 58.65 58.81 1ss1 h GLN 33 Cb 0.27 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 1ss1 h GLN 33 CO -0.01 0.47 -0.00 1.03 0.09 0.00 0.00 178.83 180.41 1ss1 h SER 34 N -0.28 0.76 0.34 0.06 0.87 -1.32 -2.01 113.55 111.96 1ss1 h SER 34 Ca 0.01 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1ss1 h SER 34 Cb 0.44 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1ss1 h SER 34 CO 0.01 0.88 -0.16 0.25 -0.53 0.00 0.00 176.83 177.28 1ss1 h LEU 35 N 0.61 -0.38 0.15 2.23 5.85 -0.18 -2.78 115.31 120.80 1ss1 h LEU 35 Ca 0.12 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ss1 h LEU 35 Cb 0.50 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1ss1 h LEU 35 CO 0.02 -0.03 -0.47 0.07 -0.34 0.00 0.00 178.44 177.69 1ss1 h LYS 36 N -0.78 -0.69 -0.08 1.25 2.10 0.35 0.16 116.57 118.87 1ss1 h LYS 36 Ca -0.05 0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 1ss1 h LYS 36 Cb 0.51 0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1ss1 h LYS 36 CO 0.08 -0.46 0.29 -0.44 -2.00 0.00 0.00 179.45 176.91 1ss1 h ASP 37 N -0.72 0.00 -2.89 7.07 5.19 -1.45 -3.36 116.42 120.26 1ss1 h ASP 37 Ca 0.01 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.94 1ss1 h ASP 37 Cb 0.73 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.84 1ss1 h ASP 37 CO -0.25 0.00 -0.75 -0.62 -3.12 0.00 0.00 179.24 174.50 1ss1 s ASP 38 N -4.82 2.76 0.31 6.45 -1.08 0.04 -5.01 116.67 115.33 1ss1 s ASP 38 Ca -0.04 -0.87 0.15 0.00 -0.52 0.00 0.00 52.55 51.27 1ss1 s ASP 38 Cb 0.11 -0.23 0.43 0.00 -1.46 0.00 0.00 42.92 41.77 1ss1 s ASP 38 CO 0.36 -0.39 1.62 1.55 0.52 0.00 0.00 175.17 178.84 1ss1 h PRO 39 N 8.41 0.00 0.00 4.34 0.13 -1.70 -2.71 132.00 140.46 1ss1 h PRO 39 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ss1 h PRO 39 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ss1 h PRO 39 CO 0.35 0.51 0.00 -1.13 -0.23 0.00 0.00 178.00 177.50 1ss1 n SER 40 N -3.52 0.00 0.01 1.44 3.41 -1.26 -1.96 113.62 111.73 1ss1 n SER 40 Ca -0.00 0.37 0.11 0.00 -0.26 0.00 0.00 58.87 59.09 1ss1 n SER 40 Cb 0.61 -0.44 0.09 0.00 -0.26 0.00 0.00 64.21 64.21 1ss1 n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ss1 n GLN 41 N -1.44 0.08 0.00 4.33 6.02 -1.02 -4.66 117.38 120.69 1ss1 n GLN 41 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1ss1 n GLN 41 Cb 0.19 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1ss1 n GLN 41 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ss1 n SER 42 N -1.63 0.00 -0.36 1.08 3.41 -0.83 0.23 113.62 115.52 1ss1 n SER 42 Ca 0.04 0.46 0.26 0.00 -0.26 0.00 0.00 58.87 59.37 1ss1 n SER 42 Cb 0.36 -0.13 0.51 0.00 -0.26 0.00 0.00 64.21 64.70 1ss1 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ss1 h ALA 43 N -1.07 2.16 -0.19 7.33 0.00 -1.84 0.41 119.26 126.05 1ss1 h ALA 43 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1ss1 h ALA 43 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ss1 h ALA 43 CO 0.00 -0.74 -0.07 -0.91 0.00 0.00 0.00 179.25 177.54 1ss1 h ASN 44 N 0.30 0.39 0.05 0.00 2.35 -0.52 -1.47 115.58 116.68 1ss1 h ASN 44 Ca 0.72 -0.39 -0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1ss1 h ASN 44 Cb 1.81 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.08 1ss1 h ASN 44 CO -0.50 0.69 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.87 1ss1 h LEU 45 N 0.09 -0.06 -0.56 1.61 -0.00 0.16 -3.15 115.31 113.40 1ss1 h LEU 45 Ca 0.05 -0.59 0.04 0.00 -0.00 0.00 0.00 57.88 57.38 1ss1 h LEU 45 Cb 0.53 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.16 1ss1 h LEU 45 CO 0.02 0.62 0.32 -0.07 -0.00 0.00 0.00 178.44 179.33 1ss1 h LEU 46 N -0.80 0.49 -0.19 1.67 -0.00 -0.41 -1.16 115.31 114.91 1ss1 h LEU 46 Ca -0.01 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.93 1ss1 h LEU 46 Cb 0.64 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 41.17 1ss1 h LEU 46 CO 0.01 0.34 -0.11 0.00 -0.00 0.00 0.00 178.44 178.69 1ss1 h ALA 47 N 1.27 0.05 -0.15 1.53 0.00 -1.38 -0.42 119.26 120.15 1ss1 h ALA 47 Ca 0.24 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ss1 h ALA 47 Cb 0.08 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ss1 h ALA 47 CO -0.13 -0.54 -0.07 0.93 0.00 0.00 0.00 179.25 179.45 1ss1 h GLU 48 N -0.09 0.22 0.15 0.00 4.39 -1.44 -2.02 114.58 115.78 1ss1 h GLU 48 Ca 0.11 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1ss1 h GLU 48 Cb 0.25 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1ss1 h GLU 48 CO -0.25 0.31 -0.07 0.00 -1.16 0.00 0.00 179.01 177.84 1ss1 h ALA 49 N 1.72 -0.20 0.29 3.43 0.00 0.01 -0.81 119.26 123.71 1ss1 h ALA 49 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ss1 h ALA 49 Cb 0.27 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ss1 h ALA 49 CO 0.01 -0.43 -0.14 1.57 0.00 0.00 0.00 179.25 180.27 1ss1 h LYS 50 N -0.56 -0.37 -0.27 0.00 2.10 -1.02 -0.75 116.57 115.70 1ss1 h LYS 50 Ca -0.02 0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.71 1ss1 h LYS 50 Cb 0.43 0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.80 1ss1 h LYS 50 CO 0.03 -0.17 -0.03 0.87 -2.00 0.00 0.00 179.45 178.15 1ss1 h LYS 51 N -0.50 0.04 0.24 0.07 1.57 -1.46 -2.03 116.57 114.51 1ss1 h LYS 51 Ca -0.04 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1ss1 h LYS 51 Cb 0.37 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1ss1 h LYS 51 CO 0.06 0.03 -0.34 1.25 -0.57 0.00 0.00 179.45 179.89 1ss1 h LEU 52 N 0.05 -0.95 -0.30 2.94 5.85 -1.06 -2.04 115.31 119.81 1ss1 h LEU 52 Ca 0.13 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.01 1ss1 h LEU 52 Cb 0.18 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 1ss1 h LEU 52 CO -0.24 -0.45 -0.30 -1.13 -0.34 0.00 0.00 178.44 175.98 1ss1 h ASN 53 N -0.64 -0.96 -0.44 1.25 -1.24 -0.89 0.14 115.58 112.80 1ss1 h ASN 53 Ca 0.00 0.17 0.08 0.00 0.71 0.00 0.00 56.30 57.26 1ss1 h ASN 53 Cb 0.62 0.44 -0.07 0.00 0.73 0.00 0.00 38.32 40.04 1ss1 h ASN 53 CO -0.13 -0.32 0.00 -0.78 -1.29 0.00 0.00 177.43 174.92 1ss1 h ASP 54 N -0.28 -0.18 -0.41 1.15 3.58 -1.23 0.40 116.42 119.44 1ss1 h ASP 54 Ca 0.15 0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 1ss1 h ASP 54 Cb 0.52 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1ss1 h ASP 54 CO -0.45 -0.05 0.00 0.00 -2.88 0.00 0.00 179.24 175.85 1ss1 h ALA 55 N 1.39 1.09 -0.02 -0.78 0.00 -0.56 -2.95 119.26 117.43 1ss1 h ALA 55 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ss1 h ALA 55 Cb 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ss1 h ALA 55 CO -0.36 0.58 -0.12 0.00 0.00 0.00 0.00 179.25 179.35 1ss1 n GLN 56 N -4.21 1.52 -0.02 0.00 10.64 0.40 -4.73 117.38 120.97 1ss1 n GLN 56 Ca 0.03 -1.02 0.00 0.00 -1.83 0.00 0.00 57.00 54.18 1ss1 n GLN 56 Cb 0.30 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 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 0.15 0.00 -1.63 2.61 0.00 0.13 -4.81 120.51 116.96 1ss1 n ALA 57 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 1ss1 n ALA 57 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.61 1.33 -0.05 0.00 0.04 -1.26 -4.82 135.00 128.63 1ss1 s PRO 58 Ca 0.00 -0.29 -0.05 0.00 0.04 0.00 0.00 61.00 60.70 1ss1 s PRO 58 Cb 0.00 -4.96 0.01 0.00 0.04 0.00 0.00 34.50 29.60 1ss1 s PRO 58 CO 0.00 -5.22 0.15 0.21 0.04 0.00 0.00 177.00 172.18 1ss1 s LYS 59 N 8.43 0.21 0.00 4.56 2.47 -1.26 -5.13 119.74 129.03 1ss1 s LYS 59 Ca 0.83 0.14 0.00 0.00 -1.56 0.00 0.00 55.97 55.38 1ss1 s LYS 59 Cb -0.06 0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.40 1ss1 s LYS 59 CO 0.16 -0.03 0.00 0.00 0.16 0.00 0.00 175.35 175.64