#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 0.64 0.00 1.61 2.88 -1.26 -4.97 113.62 112.52 1ss1 n SER 0 Ca 0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1ss1 n SER 0 Cb 0.00 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1ss1 n SER 0 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ss1 n THR 1 N -3.26 0.00 -3.88 2.46 -1.04 -1.26 -5.12 114.28 102.19 1ss1 n THR 1 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1ss1 n THR 1 Cb 0.00 -0.54 0.02 0.00 -1.82 0.00 0.00 70.33 67.99 1ss1 n THR 1 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ss1 s ALA 2 N -1.90 -1.45 0.00 2.41 0.00 -1.26 -5.07 121.76 114.49 1ss1 s ALA 2 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1ss1 s ALA 2 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1ss1 s ALA 2 CO 0.00 -1.05 0.00 -0.40 0.00 0.00 0.00 175.76 174.31 1ss1 n ASP 3 N -1.31 0.00 0.00 0.00 5.68 -1.26 -4.28 116.55 115.38 1ss1 n ASP 3 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 1ss1 n ASP 3 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1ss1 n ASP 3 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1ss1 n ASN 4 N 0.00 0.00 -2.98 -1.12 5.15 -1.26 -4.85 115.26 110.19 1ss1 n ASN 4 Ca 0.00 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.83 1ss1 n ASN 4 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1ss1 n ASN 4 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1ss1 n LYS 5 N -0.34 0.92 -1.61 1.20 2.85 -1.26 -4.95 118.16 114.96 1ss1 n LYS 5 Ca 0.00 -2.67 -0.46 0.00 -1.05 0.00 0.00 58.31 54.13 1ss1 n LYS 5 Cb 0.00 -1.38 -0.03 0.00 -0.65 0.00 0.00 35.03 32.97 1ss1 n LYS 5 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1ss1 n PHE 6 N 0.68 1.58 0.00 5.58 3.01 -1.26 -4.95 117.46 122.10 1ss1 n PHE 6 Ca 0.16 0.61 0.00 0.00 1.01 0.00 0.00 57.45 59.24 1ss1 n PHE 6 Cb 0.65 -2.33 0.00 0.00 -0.01 0.00 0.00 39.48 37.79 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 1.72 0.00 -0.03 4.37 3.02 -1.26 -4.59 115.26 118.49 1ss1 n ASN 7 Ca 0.12 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.66 1ss1 n ASN 7 Cb 0.29 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1ss1 h LYS 8 N 0.00 -0.04 0.01 3.52 2.10 -1.98 -3.26 116.57 116.92 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 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1ss1 h LYS 8 CO 0.00 -0.02 -0.00 0.93 -2.00 0.00 0.00 179.45 178.35 1ss1 h GLU 9 N -0.86 -0.01 0.12 0.07 5.08 -2.01 -3.27 114.58 113.70 1ss1 h GLU 9 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ss1 h GLU 9 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ss1 h GLU 9 CO 0.01 0.83 -0.06 0.37 -1.00 0.00 0.00 179.01 179.16 1ss1 h GLN 10 N -0.88 -0.16 -0.76 2.33 4.15 -1.94 -3.12 115.11 114.73 1ss1 h GLN 10 Ca -0.00 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.54 1ss1 h GLN 10 Cb 0.84 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.49 1ss1 h GLN 10 CO 0.00 -0.05 0.38 0.37 -1.93 0.00 0.00 178.83 177.60 1ss1 h GLN 11 N -0.23 0.60 -0.99 1.69 -0.00 -1.73 0.17 115.11 114.62 1ss1 h GLN 11 Ca -0.02 -0.04 0.21 0.00 -0.00 0.00 0.00 58.65 58.81 1ss1 h GLN 11 Cb 0.18 -0.13 -0.10 0.00 0.00 0.00 0.00 27.48 27.43 1ss1 h GLN 11 CO 0.03 0.39 0.62 -0.97 0.00 0.00 0.00 178.83 178.90 1ss1 h ASN 12 N 0.61 0.63 -0.16 -0.69 -1.24 -1.59 0.16 115.58 113.31 1ss1 h ASN 12 Ca 0.38 0.08 0.04 0.00 0.71 0.00 0.00 56.30 57.52 1ss1 h ASN 12 Cb 0.44 -0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.42 1ss1 h ASN 12 CO -0.30 0.21 -0.14 0.00 -1.29 0.00 0.00 177.43 175.91 1ss1 h ALA 13 N 1.64 -0.03 0.25 1.57 0.00 -0.98 -1.85 119.26 119.85 1ss1 h ALA 13 Ca 0.56 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.54 1ss1 h ALA 13 Cb 1.09 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1ss1 h ALA 13 CO -0.32 -0.58 -0.35 0.35 0.00 0.00 0.00 179.25 178.34 1ss1 h PHE 14 N -0.16 -0.97 -0.94 0.00 3.57 -0.67 0.85 116.94 118.61 1ss1 h PHE 14 Ca 0.10 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.73 1ss1 h PHE 14 Cb 0.31 0.39 -0.08 0.00 2.79 0.00 0.00 35.95 39.36 1ss1 h PHE 14 CO -0.27 -0.48 0.58 -1.49 -2.23 0.00 0.00 178.31 174.41 1ss1 h TRP 15 N -0.67 1.04 0.15 0.41 4.06 -1.35 0.39 115.95 119.99 1ss1 h TRP 15 Ca -0.00 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 1ss1 h TRP 15 Cb 0.64 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 1ss1 h TRP 15 CO -0.25 0.41 -0.07 0.93 -3.56 0.00 0.00 178.44 175.90 1ss1 h GLU 16 N 0.92 -0.20 -0.21 0.49 5.08 -0.97 -1.18 114.58 118.51 1ss1 h GLU 16 Ca 0.47 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.90 1ss1 h GLU 16 Cb 0.46 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 1ss1 h GLU 16 CO -0.26 0.14 -0.27 0.82 -1.00 0.00 0.00 179.01 178.44 1ss1 h ILE 17 N -0.56 0.35 -0.72 3.13 1.08 -0.20 0.39 117.51 120.99 1ss1 h ILE 17 Ca -0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.52 1ss1 h ILE 17 Cb 0.43 0.35 -0.06 0.00 -3.07 0.00 0.00 36.82 34.47 1ss1 h ILE 17 CO 0.03 0.00 0.39 -0.07 -0.69 0.00 0.00 178.15 177.82 1ss1 h LEU 18 N -0.29 0.56 0.13 1.44 -0.00 -0.21 -3.19 115.31 113.75 1ss1 h LEU 18 Ca 0.12 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.04 1ss1 h LEU 18 Cb 0.49 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1ss1 h LEU 18 CO -0.38 0.34 -0.06 0.45 -0.00 0.00 0.00 178.44 178.79 1ss1 h HIS 19 N 0.69 -0.16 -5.09 1.13 3.86 -0.60 -3.46 115.15 111.52 1ss1 h HIS 19 Ca 0.33 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1ss1 h HIS 19 Cb 0.27 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1ss1 h HIS 19 CO -0.08 0.22 0.00 1.28 0.86 0.00 0.00 177.93 180.21 1ss1 n LEU 20 N -4.87 0.00 -4.55 2.43 4.77 0.13 -4.68 117.00 110.24 1ss1 n LEU 20 Ca -0.06 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.64 1ss1 n LEU 20 Cb 0.23 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1ss1 n LEU 20 CO 0.19 0.00 1.58 -2.84 -1.33 0.00 0.00 177.39 174.99 1ss1 s PRO 21 N -3.20 2.10 0.00 3.23 0.02 -1.26 -1.23 135.00 134.65 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 -4.70 0.00 0.00 0.02 0.00 0.00 34.50 29.82 1ss1 s PRO 21 CO 0.00 -3.59 0.00 0.09 -0.33 0.00 0.00 177.00 173.17 1ss1 n ASN 22 N 15.97 0.00 -4.74 2.53 5.03 -1.26 -5.04 115.26 127.75 1ss1 n ASN 22 Ca 0.38 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.50 1ss1 n ASN 22 Cb 0.49 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 39.33 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ss1 s LEU 23 N 0.00 3.25 0.12 3.41 2.96 -0.36 -3.90 118.68 124.16 1ss1 s LEU 23 Ca 0.00 2.10 -0.30 0.00 -0.22 0.00 0.00 54.13 55.71 1ss1 s LEU 23 Cb 0.00 -4.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.07 1ss1 s LEU 23 CO 0.00 -2.05 1.09 0.20 -1.32 0.00 0.00 176.35 174.28 1ss1 s ASN 24 N -2.56 7.26 0.64 3.68 -0.87 -1.26 -4.87 114.94 116.96 1ss1 s ASN 24 Ca 0.68 1.98 0.30 0.00 -1.57 0.00 0.00 52.86 54.26 1ss1 s ASN 24 Cb -0.23 -2.59 1.64 0.00 -0.02 0.00 0.00 41.25 40.05 1ss1 s ASN 24 CO 0.47 -0.27 1.96 -0.08 -2.57 0.00 0.00 177.10 176.61 1ss1 h GLU 25 N 5.80 0.00 -0.08 -0.60 4.22 -1.91 0.70 114.58 122.71 1ss1 h GLU 25 Ca -0.43 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 58.82 1ss1 h GLU 25 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ss1 h GLU 25 CO 0.75 0.00 -0.75 1.05 -2.18 0.00 0.00 179.01 177.88 1ss1 h GLU 26 N 0.00 0.44 -0.10 1.92 4.11 -2.00 -1.79 114.58 117.16 1ss1 h GLU 26 Ca 0.07 -0.37 -0.14 0.00 0.07 0.00 0.00 59.36 58.99 1ss1 h GLU 26 Cb 0.74 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1ss1 h GLU 26 CO -0.00 1.01 -0.54 1.96 0.07 0.00 0.00 179.01 181.51 1ss1 h GLN 27 N 0.30 0.28 0.57 1.06 1.08 -0.05 -2.35 115.11 116.00 1ss1 h GLN 27 Ca -0.04 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 1ss1 h GLN 27 Cb 1.34 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.78 1ss1 h GLN 27 CO 0.13 0.75 -0.37 0.00 -0.95 0.00 0.00 178.83 178.39 1ss1 h ARG 28 N 0.22 -0.87 -0.60 1.46 3.08 -0.76 0.32 114.38 117.23 1ss1 h ARG 28 Ca 0.00 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.23 1ss1 h ARG 28 Cb 1.02 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 31.17 1ss1 h ARG 28 CO 0.09 -0.58 -0.00 -0.97 -1.07 0.00 0.00 179.97 177.43 1ss1 h ASN 29 N -0.90 -0.27 -0.86 7.04 -1.24 -1.22 0.25 115.58 118.38 1ss1 h ASN 29 Ca -0.07 0.15 0.02 0.00 0.71 0.00 0.00 56.30 57.11 1ss1 h ASN 29 Cb 0.74 0.26 -0.04 0.00 0.73 0.00 0.00 38.32 40.01 1ss1 h ASN 29 CO 0.05 -0.11 0.57 1.23 -1.29 0.00 0.00 177.43 177.88 1ss1 h GLY 30 N 0.11 1.21 1.28 1.57 0.00 -1.09 -1.43 103.07 104.73 1ss1 h GLY 30 Ca 0.31 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1ss1 h GLY 30 CO -0.51 0.42 -0.00 0.74 0.00 0.00 0.00 176.54 177.19 1ss1 h PHE 31 N 1.14 0.93 -0.50 5.60 0.04 0.15 -2.16 116.94 122.15 1ss1 h PHE 31 Ca 0.32 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.86 1ss1 h PHE 31 Cb -0.09 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.79 1ss1 h PHE 31 CO -0.00 0.85 -0.07 0.82 -0.60 0.00 0.00 178.31 179.30 1ss1 h ILE 32 N 0.80 1.26 -0.01 -0.55 2.04 0.17 -1.71 117.51 119.52 1ss1 h ILE 32 Ca 0.15 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1ss1 h ILE 32 Cb 0.48 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1ss1 h ILE 32 CO 0.02 0.41 0.00 1.56 0.00 0.00 0.00 178.15 180.14 1ss1 h GLN 33 N 0.80 0.01 -0.99 2.37 4.20 -1.03 0.64 115.11 121.12 1ss1 h GLN 33 Ca 0.14 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1ss1 h GLN 33 Cb 0.58 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 1ss1 h GLN 33 CO 0.04 0.29 0.65 1.03 -0.67 0.00 0.00 178.83 180.17 1ss1 h SER 34 N -0.27 1.14 -0.01 1.46 0.87 -1.35 -2.25 113.55 113.14 1ss1 h SER 34 Ca 0.00 -0.03 -0.24 0.00 -1.23 0.00 0.00 61.79 60.29 1ss1 h SER 34 Cb 0.29 -0.29 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1ss1 h SER 34 CO 0.00 0.83 -0.92 0.25 -0.53 0.00 0.00 176.83 176.45 1ss1 h LEU 35 N 1.34 0.88 0.40 2.23 5.85 -1.22 -3.22 115.31 121.56 1ss1 h LEU 35 Ca 0.36 -0.65 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1ss1 h LEU 35 Cb -0.15 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.59 1ss1 h LEU 35 CO -0.08 1.45 -0.49 0.50 -0.34 0.00 0.00 178.44 179.48 1ss1 h LYS 36 N 0.43 -0.88 0.00 1.25 3.64 0.77 -2.37 116.57 119.41 1ss1 h LYS 36 Ca -0.09 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ss1 h LYS 36 Cb 1.56 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1ss1 h LYS 36 CO 0.18 -0.59 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.32 1ss1 h ASP 37 N -0.91 0.00 -3.46 4.20 3.32 -1.55 -3.42 116.42 114.60 1ss1 h ASP 37 Ca -0.04 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.63 1ss1 h ASP 37 Cb 0.82 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.03 1ss1 h ASP 37 CO -0.12 0.02 -0.76 -0.62 -1.72 0.00 0.00 179.24 176.04 1ss1 s ASP 38 N -5.68 0.72 0.01 6.45 -1.08 -0.89 -5.03 116.67 111.17 1ss1 s ASP 38 Ca -0.04 -0.07 -0.07 0.00 -0.52 0.00 0.00 52.55 51.85 1ss1 s ASP 38 Cb 0.13 -0.33 -0.30 0.00 -1.46 0.00 0.00 42.92 40.97 1ss1 s ASP 38 CO 0.49 -0.09 0.89 1.55 0.52 0.00 0.00 175.17 178.54 1ss1 h PRO 39 N 7.31 0.32 -0.08 4.34 0.13 -1.82 -3.27 132.00 138.94 1ss1 h PRO 39 Ca -0.39 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1ss1 h PRO 39 Cb 1.14 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ss1 h PRO 39 CO 0.45 1.22 0.00 0.43 -0.23 0.00 0.00 178.00 179.87 1ss1 n SER 40 N -3.53 0.08 -0.00 1.44 7.64 -1.26 -1.61 113.62 116.37 1ss1 n SER 40 Ca -0.17 -0.95 0.05 0.00 1.01 0.00 0.00 58.87 58.81 1ss1 n SER 40 Cb 1.06 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 64.15 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 -0.38 2.13 -0.31 1.43 3.00 -1.23 -4.68 117.38 117.34 1ss1 n GLN 41 Ca 0.00 -0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.02 1ss1 n GLN 41 Cb 0.02 -1.09 0.19 0.00 0.00 0.00 0.00 30.24 29.36 1ss1 n GLN 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1ss1 h SER 42 N 0.00 -0.56 -0.37 1.08 4.64 -1.46 0.63 113.55 117.51 1ss1 h SER 42 Ca 0.00 0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 61.50 1ss1 h SER 42 Cb 0.34 0.47 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 1ss1 h SER 42 CO 0.00 -0.28 -0.02 0.00 -0.87 0.00 0.00 176.83 175.67 1ss1 h ALA 43 N 1.86 1.12 -0.35 5.18 0.00 -1.83 0.40 119.26 125.64 1ss1 h ALA 43 Ca 0.48 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1ss1 h ALA 43 Cb 0.86 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ss1 h ALA 43 CO -0.84 0.56 -0.44 -0.97 0.00 0.00 0.00 179.25 177.56 1ss1 h ASN 44 N 0.70 1.00 0.00 0.00 -1.24 -0.25 -1.52 115.58 114.27 1ss1 h ASN 44 Ca 0.14 -0.48 -0.00 0.00 0.71 0.00 0.00 56.30 56.66 1ss1 h ASN 44 Cb 0.46 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.23 1ss1 h ASN 44 CO 0.02 1.28 -0.00 -0.07 -1.29 0.00 0.00 177.43 177.37 1ss1 h LEU 45 N 0.74 -0.00 0.06 0.34 -0.00 -0.16 -2.48 115.31 113.81 1ss1 h LEU 45 Ca 0.05 -0.86 0.02 0.00 -0.00 0.00 0.00 57.88 57.09 1ss1 h LEU 45 Cb 1.04 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.67 1ss1 h LEU 45 CO 0.10 0.87 -0.21 0.25 -0.00 0.00 0.00 178.44 179.46 1ss1 h LEU 46 N -0.89 -0.59 -0.29 1.67 5.85 -0.29 0.44 115.31 121.21 1ss1 h LEU 46 Ca -0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1ss1 h LEU 46 Cb 0.86 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1ss1 h LEU 46 CO 0.00 -0.28 0.15 0.00 -0.34 0.00 0.00 178.44 177.96 1ss1 h ALA 47 N 0.47 0.37 -0.73 1.25 0.00 -1.42 0.28 119.26 119.48 1ss1 h ALA 47 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ss1 h ALA 47 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ss1 h ALA 47 CO -0.15 -0.08 0.31 0.93 0.00 0.00 0.00 179.25 180.26 1ss1 h GLU 48 N 0.34 1.08 -0.13 0.00 4.39 -1.22 -1.08 114.58 117.97 1ss1 h GLU 48 Ca 0.10 -0.19 -0.21 0.00 0.34 0.00 0.00 59.36 59.41 1ss1 h GLU 48 Cb 0.10 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1ss1 h GLU 48 CO -0.01 0.88 -0.75 0.00 -1.16 0.00 0.00 179.01 177.96 1ss1 h ALA 49 N 1.15 0.43 0.13 3.43 0.00 0.06 -0.33 119.26 124.13 1ss1 h ALA 49 Ca 0.25 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1ss1 h ALA 49 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ss1 h ALA 49 CO -0.02 0.71 -0.06 0.87 0.00 0.00 0.00 179.25 180.75 1ss1 h LYS 50 N 0.45 -0.17 -0.48 0.00 1.79 -0.28 0.21 116.57 118.10 1ss1 h LYS 50 Ca -0.04 0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 1ss1 h LYS 50 Cb 1.36 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.03 1ss1 h LYS 50 CO 0.15 0.09 -0.09 1.57 -1.08 0.00 0.00 179.45 180.09 1ss1 h LYS 51 N -0.42 0.86 0.30 3.15 2.10 -1.28 -2.91 116.57 118.38 1ss1 h LYS 51 Ca -0.02 -0.29 -0.01 0.00 -2.00 0.00 0.00 60.65 58.33 1ss1 h LYS 51 Cb 0.34 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1ss1 h LYS 51 CO 0.03 0.92 -0.14 1.25 -2.00 0.00 0.00 179.45 179.50 1ss1 h LEU 52 N 0.78 -0.34 -0.21 7.07 5.85 -0.95 -2.22 115.31 125.28 1ss1 h LEU 52 Ca 0.13 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1ss1 h LEU 52 Cb 0.60 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 1ss1 h LEU 52 CO 0.04 -0.16 -0.41 -1.13 -0.34 0.00 0.00 178.44 176.43 1ss1 h ASN 53 N -0.50 -1.31 -0.42 1.25 -1.24 -0.50 0.58 115.58 113.44 1ss1 h ASN 53 Ca -0.04 0.18 0.05 0.00 0.71 0.00 0.00 56.30 57.20 1ss1 h ASN 53 Cb 0.38 0.55 -0.04 0.00 0.73 0.00 0.00 38.32 39.93 1ss1 h ASN 53 CO 0.07 -0.40 0.17 -2.24 -1.29 0.00 0.00 177.43 173.73 1ss1 h ASP 54 N -0.44 0.21 -0.02 1.15 3.04 -1.52 0.44 116.42 119.28 1ss1 h ASP 54 Ca 0.10 0.04 -0.13 0.00 -3.24 0.00 0.00 57.03 53.79 1ss1 h ASP 54 Cb 0.61 0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 38.90 1ss1 h ASP 54 CO -0.44 0.15 -0.41 0.00 -2.04 0.00 0.00 179.24 176.51 1ss1 h ALA 55 N 1.26 0.86 -0.50 4.15 0.00 -0.85 -3.23 119.26 120.95 1ss1 h ALA 55 Ca 0.19 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ss1 h ALA 55 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ss1 h ALA 55 CO -0.17 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1ss1 n GLN 56 N -4.03 2.55 -1.68 0.00 -0.00 0.20 -4.99 117.38 109.44 1ss1 n GLN 56 Ca -0.02 -2.37 -0.44 0.00 -0.00 0.00 0.00 57.00 54.17 1ss1 n GLN 56 Cb 0.52 -1.53 -0.04 0.00 -0.00 0.00 0.00 30.24 29.19 1ss1 n GLN 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ss1 n ALA 57 N 1.52 1.76 -1.29 2.61 0.00 0.15 -4.78 120.51 120.48 1ss1 n ALA 57 Ca 0.21 0.31 -0.21 0.00 0.00 0.00 0.00 53.44 53.75 1ss1 n ALA 57 Cb 0.60 -2.55 -0.10 0.00 0.00 0.00 0.00 19.45 17.40 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 5.74 2.23 0.00 0.00 -0.04 -1.25 -4.79 135.00 136.89 1ss1 n PRO 58 Ca 0.19 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1ss1 n PRO 58 Cb 0.35 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1ss1 n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ss1 n LYS 59 N 1.47 0.00 -0.62 0.54 4.01 -1.26 -5.13 118.16 117.17 1ss1 n LYS 59 Ca 0.46 0.43 0.00 0.00 -0.51 0.00 0.00 58.31 58.69 1ss1 n LYS 59 Cb 0.69 -1.03 0.00 0.00 -0.51 0.00 0.00 35.03 34.17 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29