#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 2.85 0.02 1.61 0.15 -1.26 -5.05 113.70 112.02 1ss1 s SER 0 Ca 0.00 -0.99 -0.00 0.00 0.70 0.00 0.00 55.95 55.66 1ss1 s SER 0 Cb 0.00 -0.18 -0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1ss1 s SER 0 CO 0.00 -0.09 -0.01 0.35 1.20 0.00 0.00 173.24 174.69 1ss1 n THR 1 N -0.31 0.31 -3.68 6.45 -2.24 -1.26 -5.17 114.28 108.38 1ss1 n THR 1 Ca -0.08 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1ss1 n THR 1 Cb 0.60 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1ss1 n THR 1 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ss1 n ALA 2 N -2.76 0.00 -3.56 6.98 0.00 -1.26 -5.09 120.51 114.82 1ss1 n ALA 2 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1ss1 n ALA 2 Cb 0.01 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.49 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 0.15 -5.18 -1.76 0.00 8.00 -1.26 -1.65 116.55 114.85 1ss1 n ASP 3 Ca 0.00 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1ss1 n ASP 3 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.54 1ss1 n ASP 3 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ss1 n ASN 4 N -0.84 0.00 -2.48 -2.24 2.85 -1.26 -4.65 115.26 106.64 1ss1 n ASN 4 Ca -0.15 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.09 1ss1 n ASN 4 Cb 0.68 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.59 1ss1 n ASN 4 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1ss1 n LYS 5 N -0.67 2.63 -1.45 1.20 3.00 -0.66 -4.97 118.16 117.24 1ss1 n LYS 5 Ca 0.00 -1.60 -0.39 0.00 -0.00 0.00 0.00 58.31 56.32 1ss1 n LYS 5 Cb 0.00 -2.26 0.03 0.00 0.00 0.00 0.00 35.03 32.80 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 2.55 -0.80 -3.07 5.64 3.72 -1.26 -4.90 117.46 119.34 1ss1 n PHE 6 Ca 0.54 0.49 0.00 0.00 -0.05 0.00 0.00 57.45 58.43 1ss1 n PHE 6 Cb 0.66 -1.95 0.00 0.00 -0.94 0.00 0.00 39.48 37.26 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 0.92 1.52 -0.30 4.37 4.13 -1.26 -4.58 115.26 120.05 1ss1 n ASN 7 Ca 0.11 -0.07 0.12 0.00 1.68 0.00 0.00 54.58 56.42 1ss1 n ASN 7 Cb 0.45 0.00 0.35 0.00 -1.54 0.00 0.00 39.78 39.04 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1ss1 h LYS 8 N 0.00 0.72 0.01 3.52 1.79 -1.97 1.53 116.57 122.17 1ss1 h LYS 8 Ca 0.00 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1ss1 h LYS 8 Cb 0.00 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1ss1 h LYS 8 CO 0.00 0.48 -0.00 1.49 -1.08 0.00 0.00 179.45 180.33 1ss1 h GLU 9 N 0.74 -0.01 0.02 3.15 4.81 -2.00 -3.22 114.58 118.07 1ss1 h GLU 9 Ca 0.48 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1ss1 h GLU 9 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1ss1 h GLU 9 CO -0.25 0.83 -0.01 0.37 -0.73 0.00 0.00 179.01 179.23 1ss1 h GLN 10 N -0.92 -0.02 -0.86 1.92 4.15 -1.82 -3.32 115.11 114.24 1ss1 h GLN 10 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 1ss1 h GLN 10 Cb 0.85 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.48 1ss1 h GLN 10 CO 0.00 0.67 0.55 0.37 -1.93 0.00 0.00 178.83 178.50 1ss1 h GLN 11 N -0.74 0.73 -0.53 1.69 -0.00 0.20 -0.04 115.11 116.41 1ss1 h GLN 11 Ca -0.00 -0.04 0.15 0.00 -0.00 0.00 0.00 58.65 58.76 1ss1 h GLN 11 Cb 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.99 1ss1 h GLN 11 CO 0.00 0.48 0.47 -0.97 0.00 0.00 0.00 178.83 178.82 1ss1 h ASN 12 N 0.75 0.00 -0.62 -0.69 -0.00 -1.62 -0.53 115.58 112.87 1ss1 h ASN 12 Ca 0.41 0.00 0.08 0.00 -0.00 0.00 0.00 56.30 56.79 1ss1 h ASN 12 Cb 0.55 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.80 1ss1 h ASN 12 CO -0.17 0.00 0.27 0.00 -0.00 0.00 0.00 177.43 177.53 1ss1 h ALA 13 N 1.56 0.81 0.14 1.57 0.00 -1.15 -2.13 119.26 120.07 1ss1 h ALA 13 Ca 0.25 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1ss1 h ALA 13 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1ss1 h ALA 13 CO -0.00 -0.13 -0.39 0.35 0.00 0.00 0.00 179.25 179.08 1ss1 h PHE 14 N 0.48 -1.07 -0.41 0.00 3.57 -1.25 0.54 116.94 118.80 1ss1 h PHE 14 Ca 0.30 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1ss1 h PHE 14 Cb 0.33 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1ss1 h PHE 14 CO -0.14 -0.49 0.23 -1.49 -2.23 0.00 0.00 178.31 174.19 1ss1 h TRP 15 N -0.63 0.43 0.00 0.41 4.06 -1.66 0.23 115.95 118.78 1ss1 h TRP 15 Ca 0.02 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 1ss1 h TRP 15 Cb 0.65 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.68 1ss1 h TRP 15 CO -0.33 0.24 -0.07 1.49 -3.56 0.00 0.00 178.44 176.21 1ss1 h GLU 16 N 0.46 0.00 0.01 0.49 4.57 -0.92 1.78 114.58 120.98 1ss1 h GLU 16 Ca 0.17 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1ss1 h GLU 16 Cb 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1ss1 h GLU 16 CO -0.09 0.07 -0.01 0.82 -1.18 0.00 0.00 179.01 178.62 1ss1 h ILE 17 N 0.00 1.53 0.00 2.32 1.08 0.12 -2.35 117.51 120.21 1ss1 h ILE 17 Ca -0.00 -1.97 -0.05 0.00 -0.39 0.00 0.00 64.86 62.45 1ss1 h ILE 17 Cb 0.17 2.80 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 1ss1 h ILE 17 CO 0.01 0.49 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.66 1ss1 h LEU 18 N -0.91 0.00 0.26 1.44 -0.00 -0.07 -3.23 115.31 112.81 1ss1 h LEU 18 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1ss1 h LEU 18 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 1ss1 h LEU 18 CO 0.00 0.23 -0.12 -0.74 -0.00 0.00 0.00 178.44 177.81 1ss1 h HIS 19 N 0.00 -0.32 -1.42 1.13 -0.00 0.27 -3.45 115.15 111.36 1ss1 h HIS 19 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1ss1 h HIS 19 Cb 0.47 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 1ss1 h HIS 19 CO 0.00 -0.20 0.00 1.28 -0.00 0.00 0.00 177.93 179.01 1ss1 n LEU 20 N -3.57 0.00 -4.53 0.26 4.77 -0.89 -4.55 117.00 108.49 1ss1 n LEU 20 Ca -0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 1ss1 n LEU 20 Cb 0.14 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 1ss1 n LEU 20 CO 0.10 0.00 1.88 -2.65 -1.33 0.00 0.00 177.39 175.39 1ss1 n PRO 21 N -0.18 0.47 0.00 3.23 -0.02 -1.26 -0.90 135.00 136.34 1ss1 n PRO 21 Ca 0.00 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1ss1 n PRO 21 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 1ss1 n PRO 21 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ss1 n ASN 22 N 13.39 0.00 -3.25 2.55 4.13 -1.26 -4.94 115.26 125.87 1ss1 n ASN 22 Ca 0.52 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 56.46 1ss1 n ASN 22 Cb 0.32 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.55 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1ss1 n LEU 23 N 0.00 -2.04 -4.64 3.41 7.94 -0.08 -4.65 117.00 116.95 1ss1 n LEU 23 Ca 0.00 0.64 -0.42 0.00 -1.11 0.00 0.00 56.01 55.12 1ss1 n LEU 23 Cb 0.00 -0.67 -0.03 0.00 0.53 0.00 0.00 43.42 43.25 1ss1 n LEU 23 CO 0.00 -3.07 1.65 0.54 -1.11 0.00 0.00 177.39 175.40 1ss1 s ASN 24 N -0.76 6.14 0.65 1.96 4.22 -1.26 -4.79 114.94 121.12 1ss1 s ASN 24 Ca 0.45 2.32 0.32 0.00 -2.14 0.00 0.00 52.86 53.82 1ss1 s ASN 24 Cb -0.51 -2.52 1.75 0.00 1.28 0.00 0.00 41.25 41.25 1ss1 s ASN 24 CO 0.47 -1.35 2.01 1.05 -2.04 0.00 0.00 177.10 177.24 1ss1 h GLU 25 N 11.95 0.00 0.00 3.55 -0.00 -1.93 1.99 114.58 130.13 1ss1 h GLU 25 Ca -0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 58.83 1ss1 h GLU 25 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.97 1ss1 h GLU 25 CO 0.95 0.00 -0.39 1.49 -0.00 0.00 0.00 179.01 181.06 1ss1 h GLU 26 N 0.00 0.00 0.02 1.06 4.81 -1.99 0.31 114.58 118.79 1ss1 h GLU 26 Ca 0.03 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 1ss1 h GLU 26 Cb 0.59 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.98 1ss1 h GLU 26 CO -0.00 0.39 -0.57 0.37 -0.73 0.00 0.00 179.01 178.47 1ss1 h GLN 27 N 0.00 0.36 0.88 1.92 5.75 0.28 -1.93 115.11 122.37 1ss1 h GLN 27 Ca -0.00 -0.41 -0.04 0.00 -0.15 0.00 0.00 58.65 58.05 1ss1 h GLN 27 Cb 0.81 0.12 0.01 0.00 1.07 0.00 0.00 27.48 29.49 1ss1 h GLN 27 CO 0.05 1.09 -0.43 0.00 -2.65 0.00 0.00 178.83 176.90 1ss1 h ARG 28 N -0.21 -1.15 -0.46 1.69 3.08 -0.64 -0.24 114.38 116.45 1ss1 h ARG 28 Ca -0.08 0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1ss1 h ARG 28 Cb 1.31 0.26 -0.09 0.00 0.08 0.00 0.00 29.97 31.53 1ss1 h ARG 28 CO 0.11 -0.76 -0.12 -0.97 -1.07 0.00 0.00 179.97 177.16 1ss1 h ASN 29 N -1.19 -0.45 -0.54 7.04 -0.73 -0.51 0.36 115.58 119.55 1ss1 h ASN 29 Ca -0.12 0.14 0.10 0.00 1.87 0.00 0.00 56.30 58.29 1ss1 h ASN 29 Cb 0.91 0.29 -0.03 0.00 0.27 0.00 0.00 38.32 39.77 1ss1 h ASN 29 CO 0.20 -0.16 0.37 1.23 -0.37 0.00 0.00 177.43 178.70 1ss1 h GLY 30 N -0.01 0.45 1.39 1.57 0.00 -1.19 0.16 103.07 105.45 1ss1 h GLY 30 Ca 0.22 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 47.23 1ss1 h GLY 30 CO -0.48 0.08 -0.67 0.74 0.00 0.00 0.00 176.54 176.21 1ss1 h PHE 31 N 0.32 0.80 -0.04 5.60 0.04 0.14 -1.91 116.94 121.90 1ss1 h PHE 31 Ca 0.25 -0.33 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 1ss1 h PHE 31 Cb 0.56 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 1ss1 h PHE 31 CO -0.00 1.11 -0.03 0.82 -0.60 0.00 0.00 178.31 179.61 1ss1 h ILE 32 N 0.44 1.35 -0.06 -0.55 1.08 0.10 -0.88 117.51 118.99 1ss1 h ILE 32 Ca -0.02 -1.10 0.01 0.00 -0.39 0.00 0.00 64.86 63.36 1ss1 h ILE 32 Cb 1.26 2.01 -0.01 0.00 -3.07 0.00 0.00 36.82 37.01 1ss1 h ILE 32 CO 0.13 0.30 0.00 1.56 -0.69 0.00 0.00 178.15 179.45 1ss1 h GLN 33 N -0.33 0.03 -0.52 2.37 1.08 -0.82 0.88 115.11 117.79 1ss1 h GLN 33 Ca 0.01 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1ss1 h GLN 33 Cb 0.49 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1ss1 h GLN 33 CO 0.01 0.02 0.13 1.03 -0.95 0.00 0.00 178.83 179.07 1ss1 h SER 34 N 0.03 0.73 -0.12 1.46 0.87 -1.40 -2.17 113.55 112.95 1ss1 h SER 34 Ca 0.03 -0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.31 1ss1 h SER 34 Cb 0.03 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1ss1 h SER 34 CO -0.04 0.71 -0.53 0.25 -0.53 0.00 0.00 176.83 176.69 1ss1 h LEU 35 N 0.76 0.67 0.74 2.23 5.85 -0.71 -2.56 115.31 122.30 1ss1 h LEU 35 Ca 0.17 -0.63 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1ss1 h LEU 35 Cb 0.27 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1ss1 h LEU 35 CO -0.00 1.19 -0.46 0.50 -0.34 0.00 0.00 178.44 179.33 1ss1 h LYS 36 N 0.19 -1.08 0.00 1.25 1.63 0.10 -2.59 116.57 116.07 1ss1 h LYS 36 Ca -0.03 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1ss1 h LYS 36 Cb 1.17 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.05 1ss1 h LYS 36 CO 0.11 -0.72 0.00 -0.44 -3.45 0.00 0.00 179.45 174.95 1ss1 h ASP 37 N -1.12 0.00 -3.54 4.20 5.19 -1.52 -3.38 116.42 116.25 1ss1 h ASP 37 Ca -0.10 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.70 1ss1 h ASP 37 Cb 0.90 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 40.02 1ss1 h ASP 37 CO 0.10 0.00 -0.77 -1.81 -3.12 0.00 0.00 179.24 173.64 1ss1 s ASP 38 N -5.25 3.95 0.04 6.45 1.01 -0.96 -5.00 116.67 116.91 1ss1 s ASP 38 Ca -0.02 -1.37 -0.13 0.00 0.71 0.00 0.00 52.55 51.74 1ss1 s ASP 38 Cb 0.11 -1.15 -0.34 0.00 1.01 0.00 0.00 42.92 42.55 1ss1 s ASP 38 CO 0.45 -0.29 1.04 1.55 0.21 0.00 0.00 175.17 178.12 1ss1 h PRO 39 N 7.95 0.48 0.00 8.23 0.13 -1.75 -3.23 132.00 143.80 1ss1 h PRO 39 Ca -0.15 -0.81 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1ss1 h PRO 39 Cb 1.06 0.30 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1ss1 h PRO 39 CO 0.43 1.39 0.00 0.43 -0.23 0.00 0.00 178.00 180.02 1ss1 n SER 40 N -3.67 0.42 0.01 1.44 7.64 -1.26 -1.59 113.62 116.61 1ss1 n SER 40 Ca -0.15 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.48 1ss1 n SER 40 Cb 1.09 -0.71 0.19 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.99 0.06 -0.30 1.43 1.13 -1.22 -4.42 117.38 112.08 1ss1 n GLN 41 Ca 0.02 0.01 0.30 0.00 -1.94 0.00 0.00 57.00 55.38 1ss1 n GLN 41 Cb 0.16 -1.53 0.54 0.00 0.11 0.00 0.00 30.24 29.52 1ss1 n GLN 41 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ss1 n SER 42 N -1.62 0.31 0.05 1.08 3.41 -0.62 0.63 113.62 116.86 1ss1 n SER 42 Ca 0.05 1.50 -0.20 0.00 -0.26 0.00 0.00 58.87 59.95 1ss1 n SER 42 Cb 0.36 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.46 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 1.80 0.07 -0.61 7.33 0.00 -1.83 0.21 119.26 126.24 1ss1 h ALA 43 Ca 0.78 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ss1 h ALA 43 Cb 2.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.92 1ss1 h ALA 43 CO -0.69 0.63 0.10 -0.97 0.00 0.00 0.00 179.25 178.32 1ss1 h ASN 44 N 0.26 0.96 0.02 0.00 -0.73 -0.10 -0.95 115.58 115.05 1ss1 h ASN 44 Ca -0.14 -0.26 -0.04 0.00 1.87 0.00 0.00 56.30 57.73 1ss1 h ASN 44 Cb 1.70 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 40.04 1ss1 h ASN 44 CO 0.20 0.98 -0.16 -0.07 -0.37 0.00 0.00 177.43 178.01 1ss1 h LEU 45 N 0.91 0.11 0.54 0.34 -0.00 -0.59 -2.87 115.31 113.75 1ss1 h LEU 45 Ca 0.18 -0.91 -0.02 0.00 -0.00 0.00 0.00 57.88 57.14 1ss1 h LEU 45 Cb 0.42 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 1ss1 h LEU 45 CO 0.01 1.00 -0.41 0.25 -0.00 0.00 0.00 178.44 179.29 1ss1 h LEU 46 N -0.77 -1.09 -1.03 1.67 7.12 -0.59 0.18 115.31 120.80 1ss1 h LEU 46 Ca -0.03 0.08 0.01 0.00 0.13 0.00 0.00 57.88 58.07 1ss1 h LEU 46 Cb 1.05 0.34 -0.05 0.00 -0.53 0.00 0.00 40.66 41.47 1ss1 h LEU 46 CO 0.03 -0.60 0.64 0.00 -0.13 0.00 0.00 178.44 178.37 1ss1 h ALA 47 N -0.65 1.29 -0.53 1.25 0.00 -1.34 0.34 119.26 119.62 1ss1 h ALA 47 Ca -0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ss1 h ALA 47 Cb 0.79 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ss1 h ALA 47 CO 0.01 0.65 0.16 0.93 0.00 0.00 0.00 179.25 181.00 1ss1 h GLU 48 N 1.32 0.83 -0.10 0.00 3.07 -1.28 -1.81 114.58 116.61 1ss1 h GLU 48 Ca 0.35 -0.18 -0.20 0.00 -0.50 0.00 0.00 59.36 58.84 1ss1 h GLU 48 Cb -0.14 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.65 1ss1 h GLU 48 CO -0.08 0.76 -0.75 0.00 -1.40 0.00 0.00 179.01 177.55 1ss1 h ALA 49 N 1.03 0.50 0.11 3.43 0.00 -0.17 -1.32 119.26 122.84 1ss1 h ALA 49 Ca 0.17 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ss1 h ALA 49 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ss1 h ALA 49 CO -0.00 0.74 -0.05 0.87 0.00 0.00 0.00 179.25 180.80 1ss1 h LYS 50 N 0.36 -0.15 -0.29 0.00 1.79 -0.19 -1.73 116.57 116.37 1ss1 h LYS 50 Ca -0.04 0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.28 1ss1 h LYS 50 Cb 1.34 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1ss1 h LYS 50 CO 0.14 -0.07 -0.47 1.57 -1.08 0.00 0.00 179.45 179.53 1ss1 h LYS 51 N -0.18 0.78 0.11 3.15 5.09 -1.39 -3.07 116.57 121.06 1ss1 h LYS 51 Ca -0.02 -0.45 0.02 0.00 0.09 0.00 0.00 60.65 60.30 1ss1 h LYS 51 Cb 0.14 0.04 -0.04 0.00 0.10 0.00 0.00 32.23 32.47 1ss1 h LYS 51 CO 0.03 1.08 -0.30 1.25 -2.09 0.00 0.00 179.45 179.41 1ss1 h LEU 52 N 0.62 -0.88 -1.63 7.07 7.12 -1.10 -1.66 115.31 124.85 1ss1 h LEU 52 Ca 0.03 0.10 0.09 0.00 0.13 0.00 0.00 57.88 58.23 1ss1 h LEU 52 Cb 1.05 0.33 -0.04 0.00 -0.53 0.00 0.00 40.66 41.48 1ss1 h LEU 52 CO 0.10 -0.39 0.39 -1.13 -0.13 0.00 0.00 178.44 177.28 1ss1 h ASN 53 N -0.52 0.38 0.41 1.25 -1.24 -1.36 0.67 115.58 115.17 1ss1 h ASN 53 Ca 0.03 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 1ss1 h ASN 53 Cb 0.55 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1ss1 h ASN 53 CO -0.18 0.24 -0.20 0.44 -1.29 0.00 0.00 177.43 176.44 1ss1 h ASP 54 N 0.43 -0.47 0.84 1.15 3.32 -1.22 0.20 116.42 120.66 1ss1 h ASP 54 Ca 0.27 -0.10 -0.19 0.00 0.02 0.00 0.00 57.03 57.02 1ss1 h ASP 54 Cb 0.48 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1ss1 h ASP 54 CO -0.07 -0.15 -0.91 0.00 -1.72 0.00 0.00 179.24 176.39 1ss1 h ALA 55 N -0.36 0.50 0.00 3.45 0.00 -1.17 -3.19 119.26 118.50 1ss1 h ALA 55 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1ss1 h ALA 55 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ss1 h ALA 55 CO 0.09 1.08 0.00 0.37 0.00 0.00 0.00 179.25 180.79 1ss1 h GLN 56 N 0.02 0.00 -6.24 0.00 4.15 0.30 -3.44 115.11 109.90 1ss1 h GLN 56 Ca -0.02 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.83 1ss1 h GLN 56 Cb 1.59 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.26 1ss1 h GLN 56 CO 0.12 0.00 1.25 0.00 -1.93 0.00 0.00 178.83 178.27 1ss1 s ALA 57 N -3.22 3.09 -0.52 3.38 0.00 0.69 -4.79 121.76 120.39 1ss1 s ALA 57 Ca 0.07 0.55 -0.21 0.00 0.00 0.00 0.00 51.96 52.37 1ss1 s ALA 57 Cb 0.08 -3.94 -0.20 0.00 0.00 0.00 0.00 23.12 19.06 1ss1 s ALA 57 CO 0.63 -2.26 1.79 -0.35 0.00 0.00 0.00 175.76 175.57 1ss1 n PRO 58 N 8.07 1.04 -0.81 0.00 -0.04 -1.26 -4.53 135.00 137.47 1ss1 n PRO 58 Ca 0.22 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1ss1 n PRO 58 Cb 0.45 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1ss1 n PRO 58 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ss1 n LYS 59 N 6.85 0.00 -0.90 0.54 2.85 -1.26 -5.19 118.16 121.06 1ss1 n LYS 59 Ca 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 1ss1 n LYS 59 Cb 0.35 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.73 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35