#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 -0.50 0.08 1.61 0.15 -1.26 -5.08 113.70 108.70 1ss1 s SER 0 Ca 0.00 0.10 -0.35 0.00 0.70 0.00 0.00 55.95 56.40 1ss1 s SER 0 Cb 0.00 0.50 -0.18 0.00 -1.71 0.00 0.00 66.02 64.63 1ss1 s SER 0 CO 0.00 -0.78 1.59 0.71 1.20 0.00 0.00 173.24 175.97 1ss1 h THR 1 N 2.14 0.15 -3.69 6.45 1.35 -2.08 -3.39 112.91 113.83 1ss1 h THR 1 Ca -0.28 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 65.01 1ss1 h THR 1 Cb 1.26 0.15 -0.08 0.00 -1.73 0.00 0.00 68.15 67.75 1ss1 h THR 1 CO 0.35 0.00 0.88 0.00 -0.25 0.00 0.00 175.52 176.50 1ss1 s ALA 2 N -5.99 3.16 -0.01 6.62 0.00 -1.26 -4.69 121.76 119.59 1ss1 s ALA 2 Ca -0.18 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1ss1 s ALA 2 Cb 0.04 -3.87 0.02 0.00 0.00 0.00 0.00 23.12 19.31 1ss1 s ALA 2 CO 0.61 -2.26 0.56 -0.40 0.00 0.00 0.00 175.76 174.28 1ss1 n ASP 3 N 7.78 -0.54 0.00 0.00 5.68 -1.26 -5.06 116.55 123.14 1ss1 n ASP 3 Ca 0.11 -1.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.31 1ss1 n ASP 3 Cb 0.49 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 1ss1 n ASP 3 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1ss1 n ASN 4 N -0.07 0.00 -0.52 -1.12 6.94 -1.26 -4.97 115.26 114.27 1ss1 n ASN 4 Ca -0.14 0.58 0.00 0.00 -0.02 0.00 0.00 54.58 55.00 1ss1 n ASN 4 Cb 0.50 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 1ss1 n ASN 4 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1ss1 n LYS 5 N -1.17 0.00 -2.45 -3.83 0.00 -1.26 -5.00 118.16 104.45 1ss1 n LYS 5 Ca 0.00 0.01 -0.39 0.00 0.00 0.00 0.00 58.31 57.94 1ss1 n LYS 5 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 35.03 34.49 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 -2.34 2.47 0.00 5.64 0.40 -1.26 -4.96 117.98 117.92 1ss1 s PHE 6 Ca 0.00 -0.79 0.00 0.00 -0.60 0.00 0.00 56.93 55.54 1ss1 s PHE 6 Cb 0.00 -4.56 0.00 0.00 0.51 0.00 0.00 43.02 38.97 1ss1 s PHE 6 CO 0.00 -1.79 0.00 0.09 0.70 0.00 0.00 175.22 174.22 1ss1 n ASN 7 N 9.94 -1.00 -0.34 1.36 3.02 -1.26 -2.88 115.26 124.10 1ss1 n ASN 7 Ca 0.41 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 55.03 1ss1 n ASN 7 Cb 0.48 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.89 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 0.84 0.02 3.52 5.09 -1.98 0.40 116.57 124.46 1ss1 h LYS 8 Ca 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 60.65 60.69 1ss1 h LYS 8 Cb 0.00 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 32.14 1ss1 h LYS 8 CO 0.00 0.56 -0.01 1.05 -2.09 0.00 0.00 179.45 178.96 1ss1 h GLU 9 N 0.87 -0.02 0.02 0.07 -0.00 -1.99 -3.01 114.58 110.51 1ss1 h GLU 9 Ca 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.85 1ss1 h GLU 9 Cb 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 1ss1 h GLU 9 CO -0.29 0.52 -0.01 0.37 -0.00 0.00 0.00 179.01 179.60 1ss1 h GLN 10 N -0.58 -0.03 -0.57 1.06 5.75 -1.75 -3.18 115.11 115.83 1ss1 h GLN 10 Ca -0.00 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1ss1 h GLN 10 Cb 0.55 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 1ss1 h GLN 10 CO 0.00 0.39 0.39 0.37 -2.65 0.00 0.00 178.83 177.33 1ss1 h GLN 11 N -0.44 0.23 -1.00 1.69 4.15 -0.06 -1.23 115.11 118.45 1ss1 h GLN 11 Ca -0.00 -0.01 0.18 0.00 0.77 0.00 0.00 58.65 59.58 1ss1 h GLN 11 Cb 0.42 -0.05 -0.10 0.00 0.21 0.00 0.00 27.48 27.96 1ss1 h GLN 11 CO 0.00 0.15 0.61 -0.91 -1.93 0.00 0.00 178.83 176.76 1ss1 h ASN 12 N 0.24 0.81 -0.72 -0.69 4.21 -1.50 0.64 115.58 118.57 1ss1 h ASN 12 Ca 0.27 0.09 0.09 0.00 1.21 0.00 0.00 56.30 57.95 1ss1 h ASN 12 Cb 0.74 -0.06 -0.07 0.00 -1.12 0.00 0.00 38.32 37.81 1ss1 h ASN 12 CO -0.05 0.32 0.37 0.00 -1.29 0.00 0.00 177.43 176.78 1ss1 h ALA 13 N 1.62 0.99 0.20 -0.83 0.00 -1.36 -1.87 119.26 118.03 1ss1 h ALA 13 Ca 0.56 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.53 1ss1 h ALA 13 Cb 0.82 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1ss1 h ALA 13 CO -0.36 -0.01 -0.34 0.35 0.00 0.00 0.00 179.25 178.88 1ss1 h PHE 14 N 0.64 -0.94 0.38 0.00 3.04 -0.98 0.41 116.94 119.49 1ss1 h PHE 14 Ca 0.35 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.30 1ss1 h PHE 14 Cb 0.34 0.38 0.00 0.00 2.56 0.00 0.00 35.95 39.24 1ss1 h PHE 14 CO -0.10 -0.46 -0.18 -1.49 -2.02 0.00 0.00 178.31 174.06 1ss1 h TRP 15 N -0.62 -0.47 -0.33 0.41 4.06 -1.50 0.49 115.95 117.98 1ss1 h TRP 15 Ca 0.01 -0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.05 1ss1 h TRP 15 Cb 0.62 0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.92 1ss1 h TRP 15 CO -0.27 -0.21 0.33 0.93 -3.56 0.00 0.00 178.44 175.66 1ss1 h GLU 16 N -0.66 0.00 0.04 0.49 4.39 -1.29 1.20 114.58 118.74 1ss1 h GLU 16 Ca -0.05 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 1ss1 h GLU 16 Cb 0.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1ss1 h GLU 16 CO 0.09 0.00 -0.55 0.82 -1.16 0.00 0.00 179.01 178.21 1ss1 h ILE 17 N 0.00 1.50 -0.07 3.13 2.04 0.35 -2.29 117.51 122.18 1ss1 h ILE 17 Ca 0.16 -2.19 -0.05 0.00 1.00 0.00 0.00 64.86 63.78 1ss1 h ILE 17 Cb 0.81 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 1ss1 h ILE 17 CO -0.00 0.62 -0.20 0.25 0.00 0.00 0.00 178.15 178.82 1ss1 h LEU 18 N -0.32 0.10 0.12 1.44 5.85 0.49 -3.25 115.31 119.74 1ss1 h LEU 18 Ca -0.08 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1ss1 h LEU 18 Cb 1.32 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1ss1 h LEU 18 CO 0.11 0.32 -0.06 0.45 -0.34 0.00 0.00 178.44 178.91 1ss1 h HIS 19 N 0.10 -0.14 -3.34 1.25 3.86 0.11 -3.47 115.15 113.53 1ss1 h HIS 19 Ca 0.02 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1ss1 h HIS 19 Cb 0.42 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1ss1 h HIS 19 CO 0.00 0.07 0.00 1.28 0.86 0.00 0.00 177.93 180.14 1ss1 n LEU 20 N -4.86 0.00 -4.54 2.43 4.77 -0.86 -4.54 117.00 109.39 1ss1 n LEU 20 Ca -0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 1ss1 n LEU 20 Cb 0.14 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1ss1 n LEU 20 CO 0.11 0.00 1.94 -2.65 -1.33 0.00 0.00 177.39 175.45 1ss1 n PRO 21 N -0.36 0.76 0.00 3.23 -0.02 -1.26 -0.15 135.00 137.20 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 -3.09 0.00 0.00 -0.02 0.00 0.00 33.50 30.39 1ss1 n PRO 21 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1ss1 n ASN 22 N 15.17 0.00 -4.82 2.55 5.15 -1.26 -5.00 115.26 127.05 1ss1 n ASN 22 Ca 0.44 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 54.06 1ss1 n ASN 22 Cb 0.43 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.62 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1ss1 s LEU 23 N 0.00 4.39 -0.27 1.20 0.20 0.79 -4.64 118.68 120.35 1ss1 s LEU 23 Ca 0.00 1.35 -0.35 0.00 0.69 0.00 0.00 54.13 55.82 1ss1 s LEU 23 Cb 0.00 -3.40 -0.11 0.00 -0.43 0.00 0.00 46.19 42.24 1ss1 s LEU 23 CO 0.00 0.10 2.07 0.59 -0.29 0.00 0.00 176.35 178.82 1ss1 n ASN 24 N 0.95 2.58 0.21 3.68 4.13 -1.26 -4.75 115.26 120.80 1ss1 n ASN 24 Ca -0.04 0.59 0.16 0.00 1.68 0.00 0.00 54.58 56.97 1ss1 n ASN 24 Cb 0.51 -1.30 0.82 0.00 -1.54 0.00 0.00 39.78 38.26 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 11.37 0.00 0.00 3.52 -0.00 -1.92 1.29 114.58 128.84 1ss1 h GLU 25 Ca -0.36 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 58.92 1ss1 h GLU 25 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.04 1ss1 h GLU 25 CO 0.99 0.00 -0.41 1.05 -0.00 0.00 0.00 179.01 180.64 1ss1 h GLU 26 N 0.00 0.00 -0.02 1.06 4.11 -1.99 0.26 114.58 117.99 1ss1 h GLU 26 Ca 0.08 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.25 1ss1 h GLU 26 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.69 1ss1 h GLU 26 CO -0.00 0.41 -0.99 1.96 0.07 0.00 0.00 179.01 180.46 1ss1 h GLN 27 N 0.00 0.67 0.76 1.06 7.50 0.11 -2.09 115.11 123.12 1ss1 h GLN 27 Ca -0.00 -0.69 -0.04 0.00 0.50 0.00 0.00 58.65 58.42 1ss1 h GLN 27 Cb 0.81 0.19 0.01 0.00 0.05 0.00 0.00 27.48 28.54 1ss1 h GLN 27 CO 0.05 1.28 -0.38 0.00 -1.50 0.00 0.00 178.83 178.29 1ss1 h ARG 28 N 0.39 -0.99 -0.51 1.46 3.08 0.29 -0.76 114.38 117.33 1ss1 h ARG 28 Ca -0.11 0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.11 1ss1 h ARG 28 Cb 1.64 0.23 -0.09 0.00 0.08 0.00 0.00 29.97 31.83 1ss1 h ARG 28 CO 0.19 -0.66 -0.01 -0.97 -1.07 0.00 0.00 179.97 177.45 1ss1 h ASN 29 N -1.03 -0.24 -0.66 7.04 -0.73 -0.59 0.17 115.58 119.54 1ss1 h ASN 29 Ca -0.10 0.13 0.07 0.00 1.87 0.00 0.00 56.30 58.26 1ss1 h ASN 29 Cb 0.80 0.23 -0.04 0.00 0.27 0.00 0.00 38.32 39.57 1ss1 h ASN 29 CO 0.16 -0.09 0.43 1.23 -0.37 0.00 0.00 177.43 178.80 1ss1 h GLY 30 N 0.10 0.81 1.43 1.57 0.00 -1.19 -0.66 103.07 105.14 1ss1 h GLY 30 Ca 0.26 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1ss1 h GLY 30 CO -0.44 0.18 -0.32 0.74 0.00 0.00 0.00 176.54 176.70 1ss1 h PHE 31 N 0.63 0.74 -0.36 5.60 0.04 0.81 -2.06 116.94 122.33 1ss1 h PHE 31 Ca 0.29 -0.19 -0.17 0.00 2.80 0.00 0.00 57.97 60.70 1ss1 h PHE 31 Cb 0.33 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 1ss1 h PHE 31 CO -0.00 0.88 -0.43 0.82 -0.60 0.00 0.00 178.31 178.98 1ss1 h ILE 32 N 0.54 1.27 -0.02 -0.55 2.04 0.25 0.12 117.51 121.16 1ss1 h ILE 32 Ca 0.06 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.32 1ss1 h ILE 32 Cb 0.82 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1ss1 h ILE 32 CO 0.07 0.53 0.01 1.56 0.00 0.00 0.00 178.15 180.32 1ss1 h GLN 33 N 0.75 0.04 -0.41 2.37 1.08 -1.13 0.87 115.11 118.67 1ss1 h GLN 33 Ca 0.05 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1ss1 h GLN 33 Cb 1.03 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 1ss1 h GLN 33 CO 0.10 0.26 -0.00 1.03 -0.95 0.00 0.00 178.83 179.27 1ss1 h SER 34 N -0.19 0.62 -0.00 1.46 0.87 -1.40 -2.00 113.55 112.91 1ss1 h SER 34 Ca 0.01 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1ss1 h SER 34 Cb 0.24 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1ss1 h SER 34 CO 0.00 0.69 -0.00 0.25 -0.53 0.00 0.00 176.83 177.24 1ss1 h LEU 35 N 0.62 0.00 0.73 2.23 5.85 -0.75 -2.95 115.31 121.04 1ss1 h LEU 35 Ca 0.13 -0.66 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 1ss1 h LEU 35 Cb 0.39 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1ss1 h LEU 35 CO 0.01 0.66 -0.44 0.50 -0.34 0.00 0.00 178.44 178.83 1ss1 h LYS 36 N -0.65 -1.06 -0.07 1.25 1.63 0.84 -2.05 116.57 116.46 1ss1 h LYS 36 Ca -0.00 0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1ss1 h LYS 36 Cb 0.66 0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1ss1 h LYS 36 CO 0.00 -0.71 0.30 -0.44 -3.45 0.00 0.00 179.45 175.15 1ss1 h ASP 37 N -1.10 0.00 -2.97 4.20 5.19 -1.51 -3.32 116.42 116.91 1ss1 h ASP 37 Ca -0.10 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.75 1ss1 h ASP 37 Cb 0.88 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.99 1ss1 h ASP 37 CO 0.10 0.00 -0.77 -0.62 -3.12 0.00 0.00 179.24 174.83 1ss1 s ASP 38 N -4.73 3.69 0.38 6.45 -1.08 -0.78 -4.98 116.67 115.61 1ss1 s ASP 38 Ca -0.04 -1.64 0.19 0.00 -0.52 0.00 0.00 52.55 50.54 1ss1 s ASP 38 Cb 0.11 -0.62 0.70 0.00 -1.46 0.00 0.00 42.92 41.64 1ss1 s ASP 38 CO 0.35 -0.40 1.74 1.55 0.52 0.00 0.00 175.17 178.93 1ss1 h PRO 39 N 7.99 0.00 0.00 4.34 0.13 -1.64 -2.54 132.00 140.28 1ss1 h PRO 39 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1ss1 h PRO 39 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1ss1 h PRO 39 CO 0.44 0.37 0.00 0.45 -0.23 0.00 0.00 178.00 179.03 1ss1 n SER 40 N -3.57 0.54 -0.23 1.44 2.88 -1.26 -1.78 113.62 111.65 1ss1 n SER 40 Ca -0.00 0.63 0.12 0.00 -1.33 0.00 0.00 58.87 58.29 1ss1 n SER 40 Cb 0.50 -0.75 0.21 0.00 -0.75 0.00 0.00 64.21 63.42 1ss1 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ss1 n GLN 41 N -2.10 0.68 -0.27 -1.46 6.02 -0.96 -4.46 117.38 114.84 1ss1 n GLN 41 Ca 0.02 -0.47 0.23 0.00 -0.01 0.00 0.00 57.00 56.77 1ss1 n GLN 41 Cb 0.23 -1.49 0.42 0.00 1.02 0.00 0.00 30.24 30.42 1ss1 n GLN 41 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ss1 n SER 42 N -0.75 0.19 -0.06 1.08 2.88 -0.73 0.71 113.62 116.93 1ss1 n SER 42 Ca 0.09 1.36 -0.13 0.00 -1.33 0.00 0.00 58.87 58.87 1ss1 n SER 42 Cb 0.37 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 63.15 1ss1 n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ss1 h ALA 43 N 1.63 0.26 -0.51 -1.46 0.00 -1.83 -0.78 119.26 116.56 1ss1 h ALA 43 Ca 0.64 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1ss1 h ALA 43 Cb 1.63 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1ss1 h ALA 43 CO -0.66 0.12 -0.06 -0.97 0.00 0.00 0.00 179.25 177.67 1ss1 h ASN 44 N 0.07 0.90 0.08 0.00 -1.24 -0.02 -1.68 115.58 113.69 1ss1 h ASN 44 Ca 0.03 -0.27 -0.00 0.00 0.71 0.00 0.00 56.30 56.77 1ss1 h ASN 44 Cb 0.64 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1ss1 h ASN 44 CO 0.03 1.00 -0.04 -0.07 -1.29 0.00 0.00 177.43 177.06 1ss1 h LEU 45 N 0.83 -0.09 -0.34 0.34 -0.00 -0.93 -1.96 115.31 113.16 1ss1 h LEU 45 Ca 0.14 -0.51 0.03 0.00 -0.00 0.00 0.00 57.88 57.54 1ss1 h LEU 45 Cb 0.58 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 1ss1 h LEU 45 CO 0.04 0.57 0.14 0.25 -0.00 0.00 0.00 178.44 179.43 1ss1 h LEU 46 N -0.85 0.17 -0.55 1.67 6.46 -1.20 -0.95 115.31 120.06 1ss1 h LEU 46 Ca -0.01 0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.65 1ss1 h LEU 46 Cb 0.60 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1ss1 h LEU 46 CO 0.02 0.14 -0.25 0.00 -0.62 0.00 0.00 178.44 177.73 1ss1 h ALA 47 N 1.20 0.74 0.09 1.25 0.00 -1.43 -0.03 119.26 121.09 1ss1 h ALA 47 Ca 0.15 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ss1 h ALA 47 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ss1 h ALA 47 CO -0.14 0.66 -0.04 0.93 0.00 0.00 0.00 179.25 180.66 1ss1 h GLU 48 N 0.77 -0.12 -0.04 0.00 4.39 -1.02 -1.26 114.58 117.31 1ss1 h GLU 48 Ca 0.10 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 1ss1 h GLU 48 Cb 0.81 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1ss1 h GLU 48 CO 0.07 -0.02 -0.54 0.00 -1.16 0.00 0.00 179.01 177.36 1ss1 h ALA 49 N 0.71 1.02 0.15 3.43 0.00 -1.19 -1.53 119.26 121.85 1ss1 h ALA 49 Ca -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1ss1 h ALA 49 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ss1 h ALA 49 CO 0.02 0.68 -0.07 0.87 0.00 0.00 0.00 179.25 180.75 1ss1 h LYS 50 N 0.09 -0.20 -0.21 0.00 1.79 -0.77 -1.90 116.57 115.38 1ss1 h LYS 50 Ca -0.00 0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.32 1ss1 h LYS 50 Cb 0.99 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1ss1 h LYS 50 CO 0.08 -0.00 -0.53 1.57 -1.08 0.00 0.00 179.45 179.48 1ss1 h LYS 51 N -0.36 0.60 0.17 3.15 2.10 -1.25 -3.22 116.57 117.76 1ss1 h LYS 51 Ca -0.02 -0.37 0.01 0.00 -2.00 0.00 0.00 60.65 58.27 1ss1 h LYS 51 Cb 0.29 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.63 1ss1 h LYS 51 CO 0.03 0.98 -0.27 1.25 -2.00 0.00 0.00 179.45 179.44 1ss1 h LEU 52 N 0.46 -0.76 -0.96 7.07 5.85 -1.21 0.77 115.31 126.52 1ss1 h LEU 52 Ca 0.01 0.08 0.20 0.00 0.84 0.00 0.00 57.88 59.02 1ss1 h LEU 52 Cb 1.08 0.28 -0.11 0.00 0.37 0.00 0.00 40.66 42.28 1ss1 h LEU 52 CO 0.10 -0.37 0.55 -1.13 -0.34 0.00 0.00 178.44 177.25 1ss1 h ASN 53 N -0.52 0.65 0.90 1.25 -1.24 -1.38 0.93 115.58 116.18 1ss1 h ASN 53 Ca 0.02 0.12 -0.08 0.00 0.71 0.00 0.00 56.30 57.06 1ss1 h ASN 53 Cb 0.52 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 1ss1 h ASN 53 CO -0.12 0.18 -0.37 0.44 -1.29 0.00 0.00 177.43 176.26 1ss1 h ASP 54 N 0.64 0.00 -0.00 1.15 5.19 -1.41 0.43 116.42 122.41 1ss1 h ASP 54 Ca 0.58 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.89 1ss1 h ASP 54 Cb 0.98 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.49 1ss1 h ASP 54 CO -0.43 0.37 -0.39 0.00 -3.12 0.00 0.00 179.24 175.68 1ss1 h ALA 55 N 1.63 0.05 -0.56 3.45 0.00 0.31 -3.35 119.26 120.79 1ss1 h ALA 55 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ss1 h ALA 55 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ss1 h ALA 55 CO 0.05 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1ss1 n GLN 56 N -4.39 2.79 -5.03 0.00 -0.00 0.13 -4.94 117.38 105.94 1ss1 n GLN 56 Ca -0.10 -2.38 -0.32 0.00 -0.00 0.00 0.00 57.00 54.20 1ss1 n GLN 56 Cb 0.57 -1.43 -0.17 0.00 -0.00 0.00 0.00 30.24 29.21 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 -1.00 2.12 0.63 2.61 0.00 0.15 -4.91 121.76 121.35 1ss1 s ALA 57 Ca 0.37 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 1ss1 s ALA 57 Cb 0.19 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1ss1 s ALA 57 CO 0.25 0.19 1.10 -1.25 0.00 0.00 0.00 175.76 176.06 1ss1 s PRO 58 N 0.49 3.00 -0.35 0.00 0.04 -1.26 -4.67 135.00 132.26 1ss1 s PRO 58 Ca -0.16 1.38 0.14 0.00 0.04 0.00 0.00 61.00 62.40 1ss1 s PRO 58 Cb -0.17 -1.98 0.40 0.00 0.04 0.00 0.00 34.50 32.79 1ss1 s PRO 58 CO 0.06 -1.09 0.85 1.63 0.04 0.00 0.00 177.00 178.49 1ss1 n LYS 59 N -2.16 1.05 0.00 4.56 5.02 -1.26 -5.10 118.16 120.26 1ss1 n LYS 59 Ca 0.10 -3.25 0.00 0.00 -2.02 0.00 0.00 58.31 53.14 1ss1 n LYS 59 Cb 0.52 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88