#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 -1.27 0.00 1.61 2.88 -1.26 -5.01 113.62 110.57 1ss1 n SER 0 Ca 0.00 -0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1ss1 n SER 0 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ss1 n SER 0 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ss1 n THR 1 N -2.35 0.00 0.00 2.46 -2.24 -1.26 -5.04 114.28 105.85 1ss1 n THR 1 Ca 0.00 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1ss1 n THR 1 Cb 0.00 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 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 -1.07 0.00 -1.12 6.98 0.00 -1.26 -5.05 120.51 119.00 1ss1 n ALA 2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1ss1 n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 7.49 -3.42 0.00 5.75 -1.26 -4.95 116.55 120.16 1ss1 n ASP 3 Ca 0.00 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 1ss1 n ASP 3 Cb 0.00 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 38.68 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 3.75 -1.74 -0.16 -1.12 3.02 -1.26 -4.66 115.26 113.10 1ss1 n ASN 4 Ca 0.67 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.22 1ss1 n ASN 4 Cb 0.21 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1ss1 n ASN 4 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ss1 n LYS 5 N 2.61 0.54 -1.07 3.52 4.81 -1.26 -4.78 118.16 122.53 1ss1 n LYS 5 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1ss1 n LYS 5 Cb 0.00 -1.08 -0.03 0.00 0.02 0.00 0.00 35.03 33.94 1ss1 n LYS 5 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1ss1 n PHE 6 N -0.27 0.15 -0.49 5.64 3.01 -1.26 -4.83 117.46 119.40 1ss1 n PHE 6 Ca 0.00 -0.05 -0.21 0.00 1.01 0.00 0.00 57.45 58.20 1ss1 n PHE 6 Cb 0.04 -0.84 0.17 0.00 -0.01 0.00 0.00 39.48 38.84 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 7.10 -3.11 -0.27 4.37 5.03 -1.26 -2.99 115.26 124.13 1ss1 n ASN 7 Ca 0.09 -0.43 0.14 0.00 0.87 0.00 0.00 54.58 55.25 1ss1 n ASN 7 Cb 0.45 -0.82 0.41 0.00 -1.02 0.00 0.00 39.78 38.80 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1ss1 h LYS 8 N -2.78 0.59 0.03 3.52 3.64 -1.99 1.05 116.57 120.63 1ss1 h LYS 8 Ca -0.29 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 58.83 1ss1 h LYS 8 Cb 0.89 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1ss1 h LYS 8 CO 0.18 0.39 -0.98 1.05 -2.27 0.00 0.00 179.45 177.82 1ss1 h GLU 9 N 0.61 0.25 0.00 1.90 4.11 -1.97 -3.13 114.58 116.35 1ss1 h GLU 9 Ca 0.47 -0.31 -0.00 0.00 0.07 0.00 0.00 59.36 59.59 1ss1 h GLU 9 Cb 0.88 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ss1 h GLU 9 CO -0.22 1.05 -0.00 0.37 0.07 0.00 0.00 179.01 180.28 1ss1 h GLN 10 N 0.12 -0.00 -0.79 1.06 5.75 -1.24 -3.35 115.11 116.66 1ss1 h GLN 10 Ca -0.07 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.53 1ss1 h GLN 10 Cb 1.65 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 30.14 1ss1 h GLN 10 CO 0.16 0.90 0.52 0.37 -2.65 0.00 0.00 178.83 178.12 1ss1 h GLN 11 N -0.97 0.68 -0.68 1.69 4.15 0.11 -0.59 115.11 119.49 1ss1 h GLN 11 Ca -0.00 -0.04 0.19 0.00 0.77 0.00 0.00 58.65 59.57 1ss1 h GLN 11 Cb 0.90 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 1ss1 h GLN 11 CO 0.00 0.45 0.49 -0.97 -1.93 0.00 0.00 178.83 176.87 1ss1 h ASN 12 N 0.70 0.05 -0.77 -0.69 -0.73 -1.67 -0.10 115.58 112.37 1ss1 h ASN 12 Ca 0.37 0.00 0.09 0.00 1.87 0.00 0.00 56.30 58.63 1ss1 h ASN 12 Cb 0.50 -0.01 -0.07 0.00 0.27 0.00 0.00 38.32 39.01 1ss1 h ASN 12 CO -0.14 0.02 0.42 0.00 -0.37 0.00 0.00 177.43 177.36 1ss1 h ALA 13 N 1.66 1.08 0.27 1.57 0.00 -1.26 -2.19 119.26 120.39 1ss1 h ALA 13 Ca 0.33 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1ss1 h ALA 13 Cb 1.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1ss1 h ALA 13 CO -0.02 0.05 -0.36 0.35 0.00 0.00 0.00 179.25 179.27 1ss1 h PHE 14 N 0.72 -0.97 0.36 0.00 3.04 -1.15 0.59 116.94 119.53 1ss1 h PHE 14 Ca 0.37 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.32 1ss1 h PHE 14 Cb 0.34 0.39 0.00 0.00 2.56 0.00 0.00 35.95 39.24 1ss1 h PHE 14 CO -0.08 -0.49 -0.18 -1.49 -2.02 0.00 0.00 178.31 174.06 1ss1 h TRP 15 N -0.68 -0.46 -0.06 0.41 4.06 -1.63 0.56 115.95 118.15 1ss1 h TRP 15 Ca -0.01 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.95 1ss1 h TRP 15 Cb 0.65 0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 28.96 1ss1 h TRP 15 CO -0.24 -0.29 0.08 0.93 -3.56 0.00 0.00 178.44 175.36 1ss1 h GLU 16 N -0.49 0.00 0.00 0.49 4.39 -1.33 1.08 114.58 118.72 1ss1 h GLU 16 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1ss1 h GLU 16 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1ss1 h GLU 16 CO 0.08 0.00 -0.03 0.82 -1.16 0.00 0.00 179.01 178.72 1ss1 h ILE 17 N 0.00 1.70 -0.31 3.13 2.04 0.11 -2.32 117.51 121.86 1ss1 h ILE 17 Ca 0.03 -2.10 -0.11 0.00 1.00 0.00 0.00 64.86 63.68 1ss1 h ILE 17 Cb 0.18 3.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1ss1 h ILE 17 CO -0.00 0.55 -0.28 -0.07 0.00 0.00 0.00 178.15 178.35 1ss1 h LEU 18 N -0.86 0.65 0.51 1.44 -0.00 0.12 -3.27 115.31 113.89 1ss1 h LEU 18 Ca -0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 57.61 1ss1 h LEU 18 Cb 0.91 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1ss1 h LEU 18 CO 0.01 0.90 -0.24 -0.74 -0.00 0.00 0.00 178.44 178.36 1ss1 h HIS 19 N 0.55 -0.63 -4.54 1.13 2.76 0.10 -3.45 115.15 111.08 1ss1 h HIS 19 Ca 0.07 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1ss1 h HIS 19 Cb 0.76 0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.93 1ss1 h HIS 19 CO 0.03 -0.39 0.00 1.28 -1.30 0.00 0.00 177.93 177.55 1ss1 n LEU 20 N -4.77 0.00 -4.51 0.26 4.77 -0.87 -4.43 117.00 107.45 1ss1 n LEU 20 Ca -0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 1ss1 n LEU 20 Cb 0.27 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.18 1ss1 n LEU 20 CO 0.20 0.00 1.97 -2.65 -1.33 0.00 0.00 177.39 175.58 1ss1 n PRO 21 N -0.61 0.15 0.00 3.23 -0.02 -1.26 -0.53 135.00 135.96 1ss1 n PRO 21 Ca 0.00 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1ss1 n PRO 21 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 9.22 0.00 -2.67 2.55 3.02 -1.26 -4.84 115.26 121.28 1ss1 n ASN 22 Ca 0.62 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.90 1ss1 n ASN 22 Cb 0.19 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ss1 n LEU 23 N 0.00 -1.43 -4.68 3.41 7.94 0.31 -4.61 117.00 117.95 1ss1 n LEU 23 Ca 0.00 0.57 -0.53 0.00 -1.11 0.00 0.00 56.01 54.94 1ss1 n LEU 23 Cb 0.00 -0.56 -0.06 0.00 0.53 0.00 0.00 43.42 43.33 1ss1 n LEU 23 CO 0.00 -2.33 1.30 0.59 -1.11 0.00 0.00 177.39 175.84 1ss1 n ASN 24 N 1.37 2.67 0.23 1.96 4.13 -1.26 -4.79 115.26 119.57 1ss1 n ASN 24 Ca 0.08 1.05 0.06 0.00 1.68 0.00 0.00 54.58 57.45 1ss1 n ASN 24 Cb 0.21 -1.25 0.52 0.00 -1.54 0.00 0.00 39.78 37.73 1ss1 n ASN 24 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1ss1 h GLU 25 N 7.31 0.00 0.00 3.52 9.09 -1.94 0.55 114.58 133.11 1ss1 h GLU 25 Ca -0.47 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 58.90 1ss1 h GLU 25 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.39 1ss1 h GLU 25 CO 0.92 0.17 -0.19 1.49 0.05 0.00 0.00 179.01 181.45 1ss1 h GLU 26 N 0.00 0.00 -0.00 1.06 4.81 -1.99 0.32 114.58 118.78 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 0.30 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.70 1ss1 h GLU 26 CO 0.02 0.19 -1.03 1.96 -0.73 0.00 0.00 179.01 179.43 1ss1 h GLN 27 N 0.00 0.66 0.78 1.92 7.50 -0.39 -1.80 115.11 123.77 1ss1 h GLN 27 Ca -0.00 -0.71 -0.04 0.00 0.50 0.00 0.00 58.65 58.40 1ss1 h GLN 27 Cb 0.47 0.20 0.01 0.00 0.05 0.00 0.00 27.48 28.21 1ss1 h GLN 27 CO 0.02 1.30 -0.37 0.00 -1.50 0.00 0.00 178.83 178.28 1ss1 h ARG 28 N 0.38 -1.00 -0.38 1.46 3.08 0.12 -0.17 114.38 117.86 1ss1 h ARG 28 Ca -0.12 0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1ss1 h ARG 28 Cb 1.68 0.23 -0.06 0.00 0.08 0.00 0.00 29.97 31.89 1ss1 h ARG 28 CO 0.20 -0.65 -0.03 -0.97 -1.07 0.00 0.00 179.97 177.44 1ss1 h ASN 29 N -1.19 -0.22 -0.54 7.04 -1.24 -0.56 0.14 115.58 119.00 1ss1 h ASN 29 Ca -0.11 0.10 0.10 0.00 0.71 0.00 0.00 56.30 57.10 1ss1 h ASN 29 Cb 0.81 0.18 -0.03 0.00 0.73 0.00 0.00 38.32 40.02 1ss1 h ASN 29 CO 0.17 -0.07 0.37 1.23 -1.29 0.00 0.00 177.43 177.84 1ss1 h GLY 30 N 0.07 0.44 1.37 1.57 0.00 -1.27 0.33 103.07 105.57 1ss1 h GLY 30 Ca 0.19 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 1ss1 h GLY 30 CO -0.34 0.08 -0.43 0.74 0.00 0.00 0.00 176.54 176.59 1ss1 h PHE 31 N 0.31 0.83 -0.54 5.60 0.04 0.11 -2.00 116.94 121.29 1ss1 h PHE 31 Ca 0.25 -0.25 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1ss1 h PHE 31 Cb 0.57 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 1ss1 h PHE 31 CO -0.00 1.00 -0.03 0.82 -0.60 0.00 0.00 178.31 179.50 1ss1 h ILE 32 N 0.56 1.27 -0.01 -0.55 2.04 0.55 -0.94 117.51 120.43 1ss1 h ILE 32 Ca 0.04 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 1ss1 h ILE 32 Cb 0.97 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1ss1 h ILE 32 CO 0.09 0.41 -0.02 1.56 0.00 0.00 0.00 178.15 180.19 1ss1 h GLN 33 N 0.85 0.03 -0.77 2.37 4.20 -1.27 0.98 115.11 121.50 1ss1 h GLN 33 Ca 0.15 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1ss1 h GLN 33 Cb 0.57 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1ss1 h GLN 33 CO 0.03 0.56 0.37 0.77 -0.67 0.00 0.00 178.83 179.90 1ss1 h SER 34 N -0.50 0.99 0.19 1.46 0.02 -1.40 -1.94 113.55 112.36 1ss1 h SER 34 Ca 0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1ss1 h SER 34 Cb 0.56 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1ss1 h SER 34 CO 0.00 0.83 -0.09 0.25 -1.14 0.00 0.00 176.83 176.69 1ss1 h LEU 35 N 1.09 -0.21 0.33 5.07 5.85 -1.19 -2.76 115.31 123.48 1ss1 h LEU 35 Ca 0.27 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1ss1 h LEU 35 Cb 0.10 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1ss1 h LEU 35 CO -0.03 0.32 -0.49 0.07 -0.34 0.00 0.00 178.44 177.97 1ss1 h LYS 36 N -0.88 -0.83 0.00 1.25 2.10 -0.77 -0.87 116.57 116.57 1ss1 h LYS 36 Ca -0.03 0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1ss1 h LYS 36 Cb 0.51 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1ss1 h LYS 36 CO 0.04 -0.55 0.00 -0.44 -2.00 0.00 0.00 179.45 176.50 1ss1 h ASP 37 N -0.86 0.00 -2.95 7.07 3.32 -1.50 -3.35 116.42 118.15 1ss1 h ASP 37 Ca -0.03 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.46 1ss1 h ASP 37 Cb 0.80 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.95 1ss1 h ASP 37 CO -0.15 0.00 -0.77 -0.62 -1.72 0.00 0.00 179.24 175.97 1ss1 s ASP 38 N -4.89 3.72 0.22 6.45 -1.08 -0.34 -4.99 116.67 115.76 1ss1 s ASP 38 Ca -0.04 -1.50 -0.01 0.00 -0.52 0.00 0.00 52.55 50.48 1ss1 s ASP 38 Cb 0.11 -0.58 0.21 0.00 -1.46 0.00 0.00 42.92 41.21 1ss1 s ASP 38 CO 0.36 -0.42 1.57 1.55 0.52 0.00 0.00 175.17 178.75 1ss1 h PRO 39 N 8.18 0.49 0.00 4.34 0.13 -1.68 -2.72 132.00 140.75 1ss1 h PRO 39 Ca -0.16 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ss1 h PRO 39 Cb 1.01 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ss1 h PRO 39 CO 0.45 0.86 0.00 1.03 -0.23 0.00 0.00 178.00 180.11 1ss1 h SER 40 N 0.40 0.00 0.92 1.44 0.87 -1.94 -0.72 113.55 114.52 1ss1 h SER 40 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ss1 h SER 40 Cb 0.97 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1ss1 h SER 40 CO 0.09 0.00 -0.15 0.00 -0.53 0.00 0.00 176.83 176.24 1ss1 n GLN 41 N -2.75 0.04 -0.45 2.24 6.02 -1.02 -4.20 117.38 117.25 1ss1 n GLN 41 Ca -0.01 0.02 0.37 0.00 -0.01 0.00 0.00 57.00 57.38 1ss1 n GLN 41 Cb 0.14 -1.54 0.61 0.00 1.02 0.00 0.00 30.24 30.47 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 -1.60 0.13 -0.01 1.08 3.41 -0.28 0.63 113.62 116.98 1ss1 n SER 42 Ca 0.06 1.09 -0.13 0.00 -0.26 0.00 0.00 58.87 59.63 1ss1 n SER 42 Cb 0.35 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.66 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 1.21 -0.02 -0.12 7.33 0.00 -1.83 0.22 119.26 126.05 1ss1 h ALA 43 Ca 0.76 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.32 1ss1 h ALA 43 Cb 2.61 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.40 1ss1 h ALA 43 CO -0.29 -0.23 -0.26 -0.97 0.00 0.00 0.00 179.25 177.50 1ss1 h ASN 44 N -0.59 0.21 0.04 0.00 -1.24 -0.10 -1.08 115.58 112.83 1ss1 h ASN 44 Ca -0.00 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 1ss1 h ASN 44 Cb 0.56 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1ss1 h ASN 44 CO 0.00 0.48 -0.02 -0.07 -1.29 0.00 0.00 177.43 176.53 1ss1 h LEU 45 N 0.20 -0.05 0.64 0.34 -0.00 -0.73 -3.06 115.31 112.65 1ss1 h LEU 45 Ca 0.03 -0.50 -0.03 0.00 -0.00 0.00 0.00 57.88 57.38 1ss1 h LEU 45 Cb 0.57 0.01 0.01 0.00 -0.00 0.00 0.00 40.66 41.25 1ss1 h LEU 45 CO 0.04 0.66 -0.31 0.25 -0.00 0.00 0.00 178.44 179.09 1ss1 h LEU 46 N -0.96 -0.73 0.05 1.67 6.46 -0.58 -1.38 115.31 119.84 1ss1 h LEU 46 Ca -0.01 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1ss1 h LEU 46 Cb 0.54 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1ss1 h LEU 46 CO 0.01 -0.39 -0.02 0.00 -0.62 0.00 0.00 178.44 177.41 1ss1 h ALA 47 N -0.85 -0.06 -1.00 1.25 0.00 -1.36 0.22 119.26 117.45 1ss1 h ALA 47 Ca -0.09 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ss1 h ALA 47 Cb 0.70 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1ss1 h ALA 47 CO 0.14 -0.43 0.66 1.49 0.00 0.00 0.00 179.25 181.11 1ss1 h GLU 48 N -0.27 1.28 -0.28 0.00 4.57 -1.63 0.40 114.58 118.64 1ss1 h GLU 48 Ca -0.01 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 57.94 1ss1 h GLU 48 Cb 0.25 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1ss1 h GLU 48 CO 0.01 0.84 -0.46 0.00 -1.18 0.00 0.00 179.01 178.23 1ss1 h ALA 49 N 1.39 0.68 -0.01 2.92 0.00 -1.15 -0.05 119.26 123.03 1ss1 h ALA 49 Ca 0.38 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ss1 h ALA 49 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ss1 h ALA 49 CO -0.10 0.67 -0.43 -0.22 0.00 0.00 0.00 179.25 179.17 1ss1 h LYS 50 N 0.57 0.03 0.04 0.00 1.63 0.37 -2.07 116.57 117.14 1ss1 h LYS 50 Ca 0.03 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 1ss1 h LYS 50 Cb 1.01 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1ss1 h LYS 50 CO 0.10 0.46 -0.27 0.87 -3.45 0.00 0.00 179.45 177.15 1ss1 h LYS 51 N 0.02 0.11 0.02 1.90 1.57 -0.05 -3.21 116.57 116.93 1ss1 h LYS 51 Ca -0.00 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1ss1 h LYS 51 Cb 0.78 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 1ss1 h LYS 51 CO 0.06 1.05 -0.32 1.25 -0.57 0.00 0.00 179.45 180.92 1ss1 h LEU 52 N -0.73 -0.94 -1.84 2.94 6.46 -0.97 0.75 115.31 120.96 1ss1 h LEU 52 Ca -0.05 0.12 0.25 0.00 -0.12 0.00 0.00 57.88 58.08 1ss1 h LEU 52 Cb 1.18 0.38 -0.05 0.00 -0.73 0.00 0.00 40.66 41.44 1ss1 h LEU 52 CO 0.05 -0.38 0.64 -1.13 -0.62 0.00 0.00 178.44 176.99 1ss1 h ASN 53 N -0.48 0.12 1.02 1.25 -0.73 -1.52 0.90 115.58 116.15 1ss1 h ASN 53 Ca 0.06 0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.10 1ss1 h ASN 53 Cb 0.56 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.12 1ss1 h ASN 53 CO -0.25 0.04 -0.69 0.44 -0.37 0.00 0.00 177.43 176.60 1ss1 h ASP 54 N 0.12 0.00 0.80 1.15 5.19 -0.94 0.50 116.42 123.24 1ss1 h ASP 54 Ca 0.45 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.62 1ss1 h ASP 54 Cb 1.58 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.08 1ss1 h ASP 54 CO -0.06 0.69 -1.12 0.00 -3.12 0.00 0.00 179.24 175.62 1ss1 h ALA 55 N 1.31 0.23 -0.01 3.45 0.00 0.27 -3.35 119.26 121.16 1ss1 h ALA 55 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1ss1 h ALA 55 Cb 1.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ss1 h ALA 55 CO 0.09 1.10 0.00 0.00 0.00 0.00 0.00 179.25 180.44 1ss1 n GLN 56 N -3.45 0.26 -4.34 0.00 -0.00 0.01 -5.03 117.38 104.83 1ss1 n GLN 56 Ca -0.04 -1.04 -0.20 0.00 -0.00 0.00 0.00 57.00 55.71 1ss1 n GLN 56 Cb 0.98 -1.17 -0.08 0.00 -0.00 0.00 0.00 30.24 29.96 1ss1 n GLN 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ss1 s ALA 57 N -0.76 2.06 0.00 2.61 0.00 0.18 -4.89 121.76 120.96 1ss1 s ALA 57 Ca 0.11 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1ss1 s ALA 57 Cb 0.08 1.25 0.00 0.00 0.00 0.00 0.00 23.12 24.45 1ss1 s ALA 57 CO 0.11 -0.56 0.00 -0.35 0.00 0.00 0.00 175.76 174.97 1ss1 n PRO 58 N -0.65 0.00 -3.00 0.00 -0.04 -1.26 -4.41 135.00 125.64 1ss1 n PRO 58 Ca 0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1ss1 n PRO 58 Cb 0.64 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.09 1ss1 n PRO 58 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ss1 n LYS 59 N 0.00 -1.77 0.00 0.54 0.00 -1.26 -4.64 118.16 111.03 1ss1 n LYS 59 Ca 0.00 1.60 0.12 0.00 0.00 0.00 0.00 58.31 60.03 1ss1 n LYS 59 Cb 0.00 -1.79 0.12 0.00 0.00 0.00 0.00 35.03 33.37 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40