#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b89 s ASP 2 N 0.00 -0.33 0.85 4.52 -4.77 -1.26 -5.15 116.67 110.53 2b89 s ASP 2 Ca 0.00 -0.40 -0.11 0.00 -3.30 0.00 0.00 52.55 48.74 2b89 s ASP 2 Cb 0.00 0.61 0.10 0.00 -1.09 0.00 0.00 42.92 42.54 2b89 s ASP 2 CO 0.00 -1.09 1.09 0.20 0.70 0.00 0.00 175.17 176.07 2b89 s ASN 3 N -2.86 3.98 0.34 2.11 0.01 -1.26 -4.81 114.94 112.46 2b89 s ASN 3 Ca 0.08 1.44 0.03 0.00 -0.71 0.00 0.00 52.86 53.69 2b89 s ASN 3 Cb -0.02 -2.14 0.64 0.00 0.41 0.00 0.00 41.25 40.13 2b89 s ASN 3 CO -0.03 -2.31 1.98 0.11 -1.51 0.00 0.00 177.10 175.34 2b89 h LYS 4 N -1.32 0.85 0.53 -0.60 1.79 -2.02 -0.92 116.57 114.88 2b89 h LYS 4 Ca -0.48 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 57.92 2b89 h LYS 4 Cb 1.27 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2b89 h LYS 4 CO 0.56 0.56 -0.32 0.74 -1.08 0.00 0.00 179.45 179.92 2b89 h PHE 5 N 0.87 -0.83 -0.41 -1.35 -1.00 -1.98 0.21 116.94 112.46 2b89 h PHE 5 Ca 0.27 -0.01 0.06 0.00 2.81 0.00 0.00 57.97 61.10 2b89 h PHE 5 Cb 0.02 0.29 -0.05 0.00 3.61 0.00 0.00 35.95 39.82 2b89 h PHE 5 CO -0.00 -0.49 0.11 -0.91 -1.61 0.00 0.00 178.31 175.42 2b89 h ASN 6 N -0.80 0.08 -0.36 2.17 -0.26 -1.76 1.44 115.58 116.09 2b89 h ASN 6 Ca -0.06 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2b89 h ASN 6 Cb 0.65 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.95 2b89 h ASN 6 CO 0.07 0.08 0.22 0.50 -1.06 0.00 0.00 177.43 177.24 2b89 h LYS 7 N 0.26 0.48 -0.26 0.81 1.63 -1.01 1.44 116.57 119.91 2b89 h LYS 7 Ca 0.20 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.86 2b89 h LYS 7 Cb 0.21 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2b89 h LYS 7 CO -0.23 0.35 -0.25 1.49 -3.45 0.00 0.00 179.45 177.36 2b89 h GLU 8 N 0.47 0.50 -0.08 1.90 4.57 0.15 -2.80 114.58 119.29 2b89 h GLU 8 Ca 0.13 -0.19 -0.17 0.00 -1.18 0.00 0.00 59.36 57.95 2b89 h GLU 8 Cb -0.02 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2b89 h GLU 8 CO -0.03 0.71 -0.66 0.00 -1.18 0.00 0.00 179.01 177.86 2b89 h ARG 9 N 0.44 0.35 -0.18 1.92 3.08 0.29 0.10 114.38 120.38 2b89 h ARG 9 Ca 0.07 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2b89 h ARG 9 Cb 0.67 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2b89 h ARG 9 CO 0.05 0.89 0.05 0.28 -1.07 0.00 0.00 179.97 180.17 2b89 h VAL 10 N 0.25 1.19 -0.04 2.04 2.07 0.22 1.68 116.25 123.66 2b89 h VAL 10 Ca -0.02 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2b89 h VAL 10 Cb 1.21 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2b89 h VAL 10 CO 0.11 0.19 0.01 0.40 0.02 0.00 0.00 177.57 178.30 2b89 h ILE 11 N 0.10 1.19 -0.14 4.57 2.04 -1.52 -0.05 117.51 123.70 2b89 h ILE 11 Ca 0.06 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 2b89 h ILE 11 Cb 0.25 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2b89 h ILE 11 CO -0.00 0.16 -0.05 0.00 0.00 0.00 0.00 178.15 178.26 2b89 h ALA 12 N 0.78 0.19 -0.70 1.87 0.00 -0.81 0.13 119.26 120.72 2b89 h ALA 12 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2b89 h ALA 12 Cb 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2b89 h ALA 12 CO 0.00 -0.04 0.42 0.97 0.00 0.00 0.00 179.25 180.60 2b89 h ILE 13 N -0.05 1.20 -0.56 0.00 2.10 0.25 0.72 117.51 121.16 2b89 h ILE 13 Ca 0.03 -0.45 -0.07 0.00 1.08 0.00 0.00 64.86 65.45 2b89 h ILE 13 Cb 0.49 0.21 -0.02 0.00 -1.09 0.00 0.00 36.82 36.41 2b89 h ILE 13 CO 0.02 0.21 0.07 1.23 -1.08 0.00 0.00 178.15 178.60 2b89 h GLY 14 N 1.00 0.98 0.74 8.18 0.00 -0.79 1.00 103.07 114.18 2b89 h GLY 14 Ca 0.25 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 2b89 h GLY 14 CO -0.05 0.59 -0.19 0.83 0.00 0.00 0.00 176.54 177.72 2b89 h GLU 15 N 0.86 0.37 -0.26 4.80 4.39 0.16 -3.03 114.58 121.87 2b89 h GLU 15 Ca 0.17 -0.21 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 2b89 h GLU 15 Cb 0.41 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2b89 h GLU 15 CO 0.01 0.79 -0.39 0.82 -1.16 0.00 0.00 179.01 179.09 2b89 h ILE 16 N -0.02 1.30 0.00 3.13 2.04 0.58 -3.05 117.51 121.49 2b89 h ILE 16 Ca 0.02 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 2b89 h ILE 16 Cb 0.75 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2b89 h ILE 16 CO 0.04 0.50 -0.02 0.24 0.00 0.00 0.00 178.15 178.91 2b89 h MET 17 N 0.46 0.00 -0.11 2.37 2.86 0.94 -1.74 114.93 119.71 2b89 h MET 17 Ca 0.03 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.52 2b89 h MET 17 Cb 0.98 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 2b89 h MET 17 CO 0.09 0.02 -0.58 -0.09 1.06 0.00 0.00 176.91 177.41 2b89 h ARG 18 N 0.00 0.34 -5.96 1.72 2.43 -1.41 -3.45 114.38 108.06 2b89 h ARG 18 Ca -0.00 -0.23 -0.69 0.00 -0.81 0.00 0.00 59.98 58.25 2b89 h ARG 18 Cb 0.21 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 2b89 h ARG 18 CO 0.00 0.83 1.40 1.28 -1.51 0.00 0.00 179.97 181.98 2b89 n LEU 19 N -3.91 1.68 0.00 3.80 4.77 -0.66 -4.84 117.00 117.85 2b89 n LEU 19 Ca -0.03 0.47 0.14 0.00 -0.03 0.00 0.00 56.01 56.56 2b89 n LEU 19 Cb 0.61 -1.15 0.63 0.00 -2.33 0.00 0.00 43.42 41.18 2b89 n LEU 19 CO 0.45 -0.76 0.96 -0.81 -1.33 0.00 0.00 177.39 175.90 2b89 n PRO 20 N 8.02 0.08 -1.43 3.23 -0.05 -1.26 -3.89 135.00 139.70 2b89 n PRO 20 Ca 0.46 0.01 -0.22 0.00 -0.05 0.00 0.00 63.50 63.71 2b89 n PRO 20 Cb 0.15 -1.50 0.10 0.00 -0.05 0.00 0.00 33.50 32.20 2b89 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2b89 n ASN 21 N -1.46 4.97 -4.04 3.54 3.02 -1.26 -4.90 115.26 115.13 2b89 n ASN 21 Ca 0.08 -3.77 -0.15 0.00 -0.03 0.00 0.00 54.58 50.71 2b89 n ASN 21 Cb 0.31 -0.64 -0.13 0.00 -0.61 0.00 0.00 39.78 38.72 2b89 n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b89 s LEU 22 N -3.56 2.15 0.50 3.41 1.43 -1.25 -4.08 118.68 117.29 2b89 s LEU 22 Ca 0.54 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 2b89 s LEU 22 Cb 0.44 -0.27 -0.08 0.00 0.03 0.00 0.00 46.19 46.31 2b89 s LEU 22 CO 0.02 -0.07 0.98 0.54 0.23 0.00 0.00 176.35 178.05 2b89 s ASN 23 N -0.97 6.65 0.43 2.29 2.20 -1.26 -4.75 114.94 119.52 2b89 s ASN 23 Ca -0.04 1.60 0.20 0.00 -0.94 0.00 0.00 52.86 53.68 2b89 s ASN 23 Cb -0.07 -2.51 1.14 0.00 -2.00 0.00 0.00 41.25 37.81 2b89 s ASN 23 CO 0.00 -0.57 1.82 0.28 -2.94 0.00 0.00 177.10 175.69 2b89 h SER 24 N 1.05 0.37 -0.21 3.54 0.02 -1.99 0.41 113.55 116.75 2b89 h SER 24 Ca -0.47 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2b89 h SER 24 Cb 1.18 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2b89 h SER 24 CO 0.61 0.11 0.11 -0.07 -1.14 0.00 0.00 176.83 176.46 2b89 h LEU 25 N 0.35 0.26 -0.40 5.07 4.07 -1.96 1.48 115.31 124.18 2b89 h LEU 25 Ca 0.52 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 58.35 2b89 h LEU 25 Cb 1.41 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 43.07 2b89 h LEU 25 CO -0.20 0.28 0.10 1.56 -1.08 0.00 0.00 178.44 179.09 2b89 h GLN 26 N 0.22 0.64 -0.66 1.13 1.08 -1.06 2.44 115.11 118.89 2b89 h GLN 26 Ca 0.07 -0.15 0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2b89 h GLN 26 Cb 0.08 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 2b89 h GLN 26 CO -0.01 0.66 0.36 0.28 -0.95 0.00 0.00 178.83 179.17 2b89 h VAL 27 N 0.50 0.96 -0.09 -0.54 2.07 0.05 0.23 116.25 119.42 2b89 h VAL 27 Ca 0.12 -0.23 -0.18 0.00 0.82 0.00 0.00 66.70 67.24 2b89 h VAL 27 Cb 0.31 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2b89 h VAL 27 CO 0.00 0.12 -0.71 0.58 0.02 0.00 0.00 177.57 177.59 2b89 h VAL 28 N 0.67 1.37 -0.93 2.57 2.07 0.27 -2.66 116.25 119.59 2b89 h VAL 28 Ca 0.30 -2.09 0.13 0.00 0.82 0.00 0.00 66.70 65.86 2b89 h VAL 28 Cb 0.20 2.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.96 2b89 h VAL 28 CO -0.19 0.63 0.60 0.00 0.02 0.00 0.00 177.57 178.63 2b89 h ALA 29 N 0.94 1.70 -0.31 1.67 0.00 0.57 0.61 119.26 124.45 2b89 h ALA 29 Ca -0.03 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2b89 h ALA 29 Cb 1.28 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2b89 h ALA 29 CO 0.12 0.06 -0.52 0.74 0.00 0.00 0.00 179.25 179.65 2b89 h PHE 30 N 0.82 1.11 -0.94 0.00 0.04 -0.88 0.21 116.94 117.31 2b89 h PHE 30 Ca 0.47 -0.39 0.09 0.00 2.80 0.00 0.00 57.97 60.94 2b89 h PHE 30 Cb 0.61 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.48 2b89 h PHE 30 CO -0.00 1.22 0.60 0.82 -0.60 0.00 0.00 178.31 180.35 2b89 h ILE 31 N 0.69 1.00 -0.36 -0.55 2.04 0.37 -0.17 117.51 120.53 2b89 h ILE 31 Ca 0.02 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 2b89 h ILE 31 Cb 1.13 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2b89 h ILE 31 CO 0.12 0.18 -0.37 0.78 0.00 0.00 0.00 178.15 178.86 2b89 h ASN 32 N 0.99 0.91 -0.20 1.72 2.35 0.04 -3.08 115.58 118.30 2b89 h ASN 32 Ca 0.43 -0.40 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2b89 h ASN 32 Cb 0.34 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2b89 h ASN 32 CO -0.19 1.17 -0.06 0.28 -1.65 0.00 0.00 177.43 176.99 2b89 h SER 33 N 0.70 0.51 -0.32 5.81 0.02 0.11 -1.27 113.55 119.12 2b89 h SER 33 Ca 0.06 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2b89 h SER 33 Cb 0.94 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 2b89 h SER 33 CO 0.09 0.62 0.16 -0.07 -1.14 0.00 0.00 176.83 176.49 2b89 h LEU 34 N 0.51 0.24 -0.47 5.07 3.38 -1.08 0.22 115.31 123.17 2b89 h LEU 34 Ca 0.10 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 2b89 h LEU 34 Cb 0.42 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2b89 h LEU 34 CO 0.02 0.18 -0.67 0.08 0.09 0.00 0.00 178.44 178.13 2b89 h ARG 35 N 0.33 0.40 0.00 1.13 0.11 -1.55 0.39 114.38 115.19 2b89 h ARG 35 Ca 0.13 -0.30 -0.00 0.00 0.10 0.00 0.00 59.98 59.91 2b89 h ARG 35 Cb 0.04 0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.18 2b89 h ARG 35 CO -0.09 0.93 -0.01 -0.44 0.10 0.00 0.00 179.97 180.46 2b89 h ASP 36 N 0.28 0.00 -0.41 0.08 3.32 -0.81 -3.39 116.42 115.50 2b89 h ASP 36 Ca -0.02 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.17 2b89 h ASP 36 Cb 1.23 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.59 2b89 h ASP 36 CO 0.12 0.01 -0.13 -0.62 -1.72 0.00 0.00 179.24 176.90 2b89 s ASP 37 N -5.51 -0.65 0.25 6.45 -1.08 0.73 -5.05 116.67 111.81 2b89 s ASP 37 Ca -0.02 -0.07 0.02 0.00 -0.52 0.00 0.00 52.55 51.96 2b89 s ASP 37 Cb 0.11 1.19 0.32 0.00 -1.46 0.00 0.00 42.92 43.08 2b89 s ASP 37 CO 0.49 -0.10 1.64 -0.65 0.52 0.00 0.00 175.17 177.07 2b89 h PRO 38 N 6.82 0.43 0.00 4.34 0.11 -0.46 -2.57 132.00 140.67 2b89 h PRO 38 Ca -0.05 -0.21 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 2b89 h PRO 38 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2b89 h PRO 38 CO -0.04 0.76 -0.10 0.66 -0.21 0.00 0.00 178.00 179.07 2b89 h SER 39 N 0.36 0.00 -0.01 -2.05 4.64 -1.95 0.89 113.55 115.43 2b89 h SER 39 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2b89 h SER 39 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2b89 h SER 39 CO 0.07 0.10 -0.02 0.00 -0.87 0.00 0.00 176.83 176.12 2b89 n GLN 40 N -3.91 1.79 -0.15 4.77 6.02 -1.00 -4.04 117.38 120.87 2b89 n GLN 40 Ca -0.02 -1.19 0.18 0.00 -0.01 0.00 0.00 57.00 55.96 2b89 n GLN 40 Cb 0.20 -1.48 0.56 0.00 1.02 0.00 0.00 30.24 30.54 2b89 n GLN 40 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2b89 h SER 41 N 2.89 0.29 -0.40 1.08 0.02 -0.51 0.85 113.55 117.78 2b89 h SER 41 Ca 0.00 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2b89 h SER 41 Cb 0.63 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2b89 h SER 41 CO 0.00 0.14 -0.33 0.00 -1.14 0.00 0.00 176.83 175.51 2b89 h ALA 42 N 1.65 0.63 -0.08 3.77 0.00 -1.74 -3.05 119.26 120.44 2b89 h ALA 42 Ca 0.37 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2b89 h ALA 42 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2b89 h ALA 42 CO -0.10 0.68 -0.70 -0.91 0.00 0.00 0.00 179.25 178.21 2b89 h ASN 43 N 0.79 0.45 -0.67 0.00 2.35 -0.45 -3.23 115.58 114.82 2b89 h ASN 43 Ca 0.08 -0.29 -0.07 0.00 -0.55 0.00 0.00 56.30 55.47 2b89 h ASN 43 Cb 0.91 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 2b89 h ASN 43 CO 0.08 1.02 0.14 -0.07 -1.65 0.00 0.00 177.43 176.95 2b89 h LEU 44 N 0.26 1.04 -1.07 1.61 3.38 0.54 0.42 115.31 121.49 2b89 h LEU 44 Ca -0.02 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 2b89 h LEU 44 Cb 1.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2b89 h LEU 44 CO 0.12 1.01 -0.39 -0.07 0.09 0.00 0.00 178.44 179.20 2b89 h LEU 45 N 1.01 0.14 -0.60 1.67 -0.00 -1.62 1.41 115.31 117.32 2b89 h LEU 45 Ca 0.21 -0.05 0.01 0.00 -0.00 0.00 0.00 57.88 58.05 2b89 h LEU 45 Cb 0.40 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 2b89 h LEU 45 CO 0.01 0.52 0.39 0.00 -0.00 0.00 0.00 178.44 179.36 2b89 h ALA 46 N 1.49 0.77 -0.05 1.53 0.00 -1.24 2.44 119.26 124.19 2b89 h ALA 46 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2b89 h ALA 46 Cb 0.75 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2b89 h ALA 46 CO 0.06 0.16 -0.01 0.93 0.00 0.00 0.00 179.25 180.39 2b89 h GLU 47 N 0.78 0.09 -0.38 0.00 4.39 0.86 -0.50 114.58 119.82 2b89 h GLU 47 Ca 0.23 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.93 2b89 h GLU 47 Cb -0.05 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 2b89 h GLU 47 CO -0.07 0.42 0.17 0.00 -1.16 0.00 0.00 179.01 178.38 2b89 h ALA 48 N 0.66 0.46 -0.48 3.43 0.00 0.27 2.21 119.26 125.82 2b89 h ALA 48 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2b89 h ALA 48 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2b89 h ALA 48 CO 0.00 -0.21 0.11 0.87 0.00 0.00 0.00 179.25 180.03 2b89 h LYS 49 N 0.35 0.72 -0.14 0.00 1.57 0.42 0.98 116.57 120.47 2b89 h LYS 49 Ca 0.17 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 2b89 h LYS 49 Cb 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2b89 h LYS 49 CO -0.14 0.66 -0.49 -0.22 -0.57 0.00 0.00 179.45 178.69 2b89 h LYS 50 N 0.70 0.37 -0.36 3.15 3.64 0.67 -0.76 116.57 123.98 2b89 h LYS 50 Ca 0.16 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2b89 h LYS 50 Cb 0.27 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2b89 h LYS 50 CO -0.00 0.78 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.73 2b89 h LEU 51 N 0.30 0.76 -0.16 5.20 -0.00 0.52 0.86 115.31 122.79 2b89 h LEU 51 Ca 0.01 -0.40 -0.00 0.00 -0.00 0.00 0.00 57.88 57.49 2b89 h LEU 51 Cb 0.97 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 2b89 h LEU 51 CO 0.08 0.99 0.10 -1.13 -0.00 0.00 0.00 178.44 178.48 2b89 h ASN 52 N 0.53 0.19 -0.13 -0.43 -1.24 0.11 0.87 115.58 115.48 2b89 h ASN 52 Ca 0.08 -0.04 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 2b89 h ASN 52 Cb 0.70 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.69 2b89 h ASN 52 CO 0.05 0.17 -0.29 0.44 -1.29 0.00 0.00 177.43 176.52 2b89 h ASP 53 N 0.19 0.61 -0.09 1.15 3.32 -1.00 -0.63 116.42 119.97 2b89 h ASP 53 Ca 0.06 -0.23 -0.22 0.00 0.02 0.00 0.00 57.03 56.65 2b89 h ASP 53 Cb 0.02 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.41 2b89 h ASP 53 CO -0.01 0.87 -0.82 0.00 -1.72 0.00 0.00 179.24 177.56 2b89 h ALA 54 N 1.17 0.22 0.01 3.45 0.00 0.14 -3.36 119.26 120.89 2b89 h ALA 54 Ca 0.07 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 2b89 h ALA 54 Cb 0.76 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2b89 h ALA 54 CO 0.06 0.63 -0.51 1.96 0.00 0.00 0.00 179.25 181.39 2b89 h GLN 55 N 0.41 0.03 -6.84 0.00 4.20 0.72 -3.49 115.11 110.14 2b89 h GLN 55 Ca -0.08 -0.05 -0.56 0.00 0.06 0.00 0.00 58.65 58.02 2b89 h GLN 55 Cb 1.46 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.26 2b89 h GLN 55 CO 0.17 1.02 -1.01 0.00 -0.67 0.00 0.00 178.83 178.33 2b89 n ALA 56 N -2.88 -2.64 -1.25 3.87 0.00 -0.25 -4.44 120.51 112.92 2b89 n ALA 56 Ca -0.18 -0.50 -0.33 0.00 0.00 0.00 0.00 53.44 52.43 2b89 n ALA 56 Cb 0.58 -2.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.47 2b89 n ALA 56 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2b89 n PRO 57 N -4.56 0.00 0.00 0.00 -0.01 -1.26 -5.11 135.00 124.05 2b89 n PRO 57 Ca -0.14 0.00 0.16 0.00 -0.01 0.00 0.00 63.50 63.51 2b89 n PRO 57 Cb 0.59 -1.21 0.90 0.00 -0.01 0.00 0.00 33.50 33.77 2b89 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12