#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b87 n ASP 2 N 0.00 0.50 -2.26 6.55 5.68 -1.26 -4.86 116.55 120.90 2b87 n ASP 2 Ca 0.00 0.63 -0.17 0.00 -0.50 0.00 0.00 54.79 54.75 2b87 n ASP 2 Cb 0.00 -0.73 -0.02 0.00 -1.14 0.00 0.00 41.12 39.23 2b87 n ASP 2 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2b87 n ASN 3 N -2.06 -5.01 -0.26 -1.12 3.02 -1.26 -4.85 115.26 103.71 2b87 n ASN 3 Ca 0.02 0.13 -0.05 0.00 -0.03 0.00 0.00 54.58 54.65 2b87 n ASN 3 Cb 0.20 -4.25 0.06 0.00 -0.61 0.00 0.00 39.78 35.18 2b87 n ASN 3 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2b87 h LYS 4 N 0.00 1.01 -0.79 3.52 3.64 -1.99 0.87 116.57 122.83 2b87 h LYS 4 Ca -0.40 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 2b87 h LYS 4 Cb 1.28 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 2b87 h LYS 4 CO 0.49 0.73 0.36 0.27 -2.27 0.00 0.00 179.45 179.03 2b87 h PHE 5 N 1.00 1.15 -0.35 1.91 -0.00 -1.95 0.26 116.94 118.96 2b87 h PHE 5 Ca 0.26 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.97 58.12 2b87 h PHE 5 Cb 0.00 -0.35 -0.01 0.00 -0.00 0.00 0.00 35.95 35.59 2b87 h PHE 5 CO -0.01 0.85 0.06 -0.97 -0.00 0.00 0.00 178.31 178.24 2b87 h ASN 6 N 1.13 0.56 -0.75 -0.68 -1.24 -1.72 1.45 115.58 114.32 2b87 h ASN 6 Ca 0.27 -0.26 -0.04 0.00 0.71 0.00 0.00 56.30 56.98 2b87 h ASN 6 Cb 0.14 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 2b87 h ASN 6 CO -0.03 0.68 0.33 0.50 -1.29 0.00 0.00 177.43 177.62 2b87 h LYS 7 N 0.42 1.11 -0.33 6.67 3.64 -0.46 0.42 116.57 128.04 2b87 h LYS 7 Ca 0.11 -0.18 -0.16 0.00 -1.27 0.00 0.00 60.65 59.14 2b87 h LYS 7 Cb 0.36 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2b87 h LYS 7 CO 0.01 0.88 -0.44 1.49 -2.27 0.00 0.00 179.45 179.12 2b87 h GLU 8 N 1.07 0.84 -0.97 1.90 4.57 -0.12 1.26 114.58 123.13 2b87 h GLU 8 Ca 0.25 -0.47 0.01 0.00 -1.18 0.00 0.00 59.36 57.98 2b87 h GLU 8 Cb 0.17 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 2b87 h GLU 8 CO -0.03 1.10 0.64 1.25 -1.18 0.00 0.00 179.01 180.80 2b87 h LEU 9 N 0.67 1.10 -0.07 1.64 5.85 0.26 1.15 115.31 125.92 2b87 h LEU 9 Ca 0.04 -0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.49 2b87 h LEU 9 Cb 1.02 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.79 2b87 h LEU 9 CO 0.10 0.79 -0.91 1.23 -0.34 0.00 0.00 178.44 179.31 2b87 h GLY 10 N 1.30 0.82 0.52 3.75 0.00 0.17 -2.81 103.07 106.82 2b87 h GLY 10 Ca 0.36 -1.30 -0.00 0.00 0.00 0.00 0.00 47.33 46.38 2b87 h GLY 10 CO -0.09 1.16 -0.04 -0.25 0.00 0.00 0.00 176.54 177.33 2b87 h TRP 11 N 0.45 -0.09 -0.84 5.60 -0.00 0.27 -1.52 115.95 119.82 2b87 h TRP 11 Ca -0.09 -0.00 0.08 0.00 -0.00 0.00 0.00 58.89 58.87 2b87 h TRP 11 Cb 1.55 0.03 -0.06 0.00 -0.00 0.00 0.00 29.16 30.69 2b87 h TRP 11 CO 0.10 0.36 0.55 0.00 -0.00 0.00 0.00 178.44 179.44 2b87 h ALA 12 N 0.28 1.63 -0.40 2.65 0.00 0.12 0.56 119.26 124.10 2b87 h ALA 12 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2b87 h ALA 12 Cb 0.49 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2b87 h ALA 12 CO 0.02 0.23 0.12 1.15 0.00 0.00 0.00 179.25 180.77 2b87 h THR 13 N 0.88 0.85 -0.26 0.00 2.02 -1.38 0.23 112.91 115.25 2b87 h THR 13 Ca 0.37 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.42 2b87 h THR 13 Cb 0.30 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2b87 h THR 13 CO -0.14 0.05 0.01 -0.25 0.37 0.00 0.00 175.52 175.56 2b87 h TRP 14 N 0.27 0.50 -0.82 3.16 2.91 0.27 0.20 115.95 122.44 2b87 h TRP 14 Ca 0.19 -0.08 0.00 0.00 1.13 0.00 0.00 58.89 60.13 2b87 h TRP 14 Cb 0.19 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.67 2b87 h TRP 14 CO -0.16 0.61 0.53 0.93 -1.03 0.00 0.00 178.44 179.31 2b87 h GLU 15 N 0.25 1.10 -0.27 2.65 5.08 0.47 0.97 114.58 124.82 2b87 h GLU 15 Ca 0.08 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 2b87 h GLU 15 Cb 0.40 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2b87 h GLU 15 CO 0.01 0.74 -0.49 0.82 -1.00 0.00 0.00 179.01 179.10 2b87 h ILE 16 N 1.12 1.29 -0.49 3.13 2.04 -0.41 -2.31 117.51 121.88 2b87 h ILE 16 Ca 0.30 -1.68 -0.05 0.00 1.00 0.00 0.00 64.86 64.42 2b87 h ILE 16 Cb -0.10 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2b87 h ILE 16 CO -0.06 0.54 0.09 0.15 0.00 0.00 0.00 178.15 178.87 2b87 h PHE 17 N 0.59 0.79 -0.22 1.37 3.57 0.11 -2.56 116.94 120.60 2b87 h PHE 17 Ca 0.03 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2b87 h PHE 17 Cb 1.05 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2b87 h PHE 17 CO 0.06 0.69 0.00 0.09 -2.23 0.00 0.00 178.31 176.92 2b87 n ASN 18 N -4.27 1.81 -4.77 0.41 5.03 0.32 -4.93 115.26 108.86 2b87 n ASN 18 Ca 0.03 -1.78 -0.40 0.00 0.87 0.00 0.00 54.58 53.31 2b87 n ASN 18 Cb 0.24 -0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.83 2b87 n ASN 18 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2b87 s LEU 19 N -1.46 4.40 -0.01 3.41 1.43 -0.89 -4.93 118.68 120.63 2b87 s LEU 19 Ca 0.31 2.47 0.03 0.00 -1.03 0.00 0.00 54.13 55.92 2b87 s LEU 19 Cb 0.17 -3.74 0.12 0.00 0.03 0.00 0.00 46.19 42.76 2b87 s LEU 19 CO 0.25 -0.46 0.98 -0.81 0.23 0.00 0.00 176.35 176.54 2b87 n PRO 20 N 0.71 1.40 0.00 1.29 -0.05 -1.26 -4.21 135.00 132.88 2b87 n PRO 20 Ca 0.01 -0.47 0.00 0.00 -0.05 0.00 0.00 63.50 62.98 2b87 n PRO 20 Cb 0.44 -1.26 0.00 0.00 -0.05 0.00 0.00 33.50 32.63 2b87 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2b87 n ASN 21 N -0.06 0.00 -4.81 3.54 4.13 -1.26 -4.98 115.26 111.82 2b87 n ASN 21 Ca 0.04 -0.53 -0.34 0.00 1.68 0.00 0.00 54.58 55.43 2b87 n ASN 21 Cb 0.20 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.37 2b87 n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2b87 s LEU 22 N 0.00 4.00 0.37 3.41 1.43 -1.26 -4.78 118.68 121.85 2b87 s LEU 22 Ca 0.00 1.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 2b87 s LEU 22 Cb 0.00 -4.45 -0.01 0.00 0.03 0.00 0.00 46.19 41.76 2b87 s LEU 22 CO 0.00 -0.37 0.54 0.54 0.23 0.00 0.00 176.35 177.29 2b87 s ASN 23 N -2.05 5.93 0.40 2.29 4.22 -1.26 -4.88 114.94 119.58 2b87 s ASN 23 Ca 0.61 -0.01 0.19 0.00 -2.14 0.00 0.00 52.86 51.51 2b87 s ASN 23 Cb -0.12 -1.36 1.12 0.00 1.28 0.00 0.00 41.25 42.17 2b87 s ASN 23 CO 0.16 -0.52 1.76 1.23 -2.04 0.00 0.00 177.10 177.69 2b87 h GLY 24 N 0.72 1.26 0.52 0.45 0.00 -1.99 -0.61 103.07 103.42 2b87 h GLY 24 Ca -0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 2b87 h GLY 24 CO 0.55 -0.17 -0.08 -2.08 0.00 0.00 0.00 176.54 174.77 2b87 h VAL 25 N 0.38 1.44 -0.61 4.60 2.07 -1.97 -0.29 116.25 121.87 2b87 h VAL 25 Ca 0.62 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 2b87 h VAL 25 Cb 1.58 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 33.61 2b87 h VAL 25 CO -0.32 0.38 0.34 1.56 0.02 0.00 0.00 177.57 179.56 2b87 h GLN 26 N -0.42 0.84 -0.47 1.57 4.20 -1.68 0.76 115.11 119.92 2b87 h GLN 26 Ca 0.00 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2b87 h GLN 26 Cb 0.66 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2b87 h GLN 26 CO 0.02 0.63 0.23 0.28 -0.67 0.00 0.00 178.83 179.32 2b87 h VAL 27 N 0.82 1.18 -0.45 -0.54 2.07 -1.20 0.33 116.25 118.47 2b87 h VAL 27 Ca 0.21 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2b87 h VAL 27 Cb 0.03 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2b87 h VAL 27 CO -0.04 0.20 0.16 0.11 0.02 0.00 0.00 177.57 178.02 2b87 h LYS 28 N 0.61 0.65 -0.20 1.57 1.57 -0.43 0.20 116.57 120.54 2b87 h LYS 28 Ca 0.16 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 2b87 h LYS 28 Cb 0.11 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2b87 h LYS 28 CO -0.02 0.56 -0.31 0.00 -0.57 0.00 0.00 179.45 179.11 2b87 h ALA 29 N 1.53 0.31 -0.68 3.86 0.00 0.14 0.62 119.26 125.05 2b87 h ALA 29 Ca 0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2b87 h ALA 29 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2b87 h ALA 29 CO -0.01 0.34 0.21 0.74 0.00 0.00 0.00 179.25 180.53 2b87 h PHE 30 N 0.25 1.06 -0.02 0.00 0.04 -0.03 0.51 116.94 118.75 2b87 h PHE 30 Ca 0.02 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 2b87 h PHE 30 Cb 0.89 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 2b87 h PHE 30 CO 0.09 0.84 0.01 0.82 -0.60 0.00 0.00 178.31 179.47 2b87 h ILE 31 N 1.00 1.12 -0.85 -0.55 2.04 -0.37 0.27 117.51 120.17 2b87 h ILE 31 Ca 0.22 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.80 2b87 h ILE 31 Cb 0.28 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 2b87 h ILE 31 CO -0.01 0.10 0.52 0.44 0.00 0.00 0.00 178.15 179.19 2b87 h ASP 32 N -0.11 0.79 -0.23 1.72 3.32 0.11 0.28 116.42 122.30 2b87 h ASP 32 Ca 0.01 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 2b87 h ASP 32 Cb 0.15 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2b87 h ASP 32 CO -0.00 0.48 -0.18 0.28 -1.72 0.00 0.00 179.24 178.10 2b87 h SER 33 N 0.91 0.67 0.28 6.45 0.02 0.31 0.80 113.55 122.98 2b87 h SER 33 Ca 0.39 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2b87 h SER 33 Cb 0.25 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2b87 h SER 33 CO -0.20 0.85 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.14 2b87 h LEU 34 N 0.60 -0.31 -0.47 5.07 3.38 0.17 0.78 115.31 124.52 2b87 h LEU 34 Ca 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2b87 h LEU 34 Cb 0.64 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2b87 h LEU 34 CO 0.05 -0.11 0.23 0.03 0.09 0.00 0.00 178.44 178.72 2b87 h ARG 35 N -0.50 0.68 -0.27 1.13 3.08 -0.44 0.23 114.38 118.28 2b87 h ARG 35 Ca -0.04 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 2b87 h ARG 35 Cb 0.38 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2b87 h ARG 35 CO 0.06 0.57 -0.02 0.22 -1.07 0.00 0.00 179.97 179.74 2b87 h ASP 36 N 0.62 0.39 -1.70 7.04 3.58 -0.73 -3.38 116.42 122.23 2b87 h ASP 36 Ca 0.16 -0.07 -0.25 0.00 0.42 0.00 0.00 57.03 57.30 2b87 h ASP 36 Cb 0.12 -0.10 -0.28 0.00 1.72 0.00 0.00 39.33 40.78 2b87 h ASP 36 CO -0.02 0.47 -0.59 -0.62 -2.88 0.00 0.00 179.24 175.60 2b87 s ASP 37 N -6.79 0.44 0.33 2.28 -1.08 0.27 -5.01 116.67 107.11 2b87 s ASP 37 Ca -0.07 -0.96 0.16 0.00 -0.52 0.00 0.00 52.55 51.16 2b87 s ASP 37 Cb 0.16 1.00 0.51 0.00 -1.46 0.00 0.00 42.92 43.13 2b87 s ASP 37 CO 0.75 -0.29 1.66 -0.65 0.52 0.00 0.00 175.17 177.16 2b87 h PRO 38 N 7.52 0.00 0.00 4.34 0.11 -0.77 -2.48 132.00 140.71 2b87 h PRO 38 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2b87 h PRO 38 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2b87 h PRO 38 CO 0.21 0.47 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 2b87 h SER 39 N 0.00 0.00 -0.06 -2.05 4.64 -1.90 -1.71 113.55 112.47 2b87 h SER 39 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b87 h SER 39 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2b87 h SER 39 CO 0.06 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.69 2b87 n GLN 40 N -2.38 2.29 -0.34 4.77 7.27 -0.94 -4.56 117.38 123.48 2b87 n GLN 40 Ca 0.02 -1.88 0.16 0.00 0.07 0.00 0.00 57.00 55.37 2b87 n GLN 40 Cb 0.23 -1.47 0.38 0.00 2.41 0.00 0.00 30.24 31.79 2b87 n GLN 40 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2b87 h SER 41 N 4.50 0.69 -0.54 1.69 0.02 -1.27 0.29 113.55 118.94 2b87 h SER 41 Ca 0.00 0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2b87 h SER 41 Cb 0.96 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 2b87 h SER 41 CO 0.00 0.18 0.16 0.00 -1.14 0.00 0.00 176.83 176.03 2b87 h ALA 42 N 1.68 1.18 -0.23 3.77 0.00 -1.81 0.16 119.26 124.00 2b87 h ALA 42 Ca 0.61 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 2b87 h ALA 42 Cb 1.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2b87 h ALA 42 CO -0.41 0.56 -0.37 -0.91 0.00 0.00 0.00 179.25 178.12 2b87 h ASN 43 N 0.86 0.55 0.20 0.00 2.35 -0.82 0.31 115.58 119.02 2b87 h ASN 43 Ca 0.19 -0.23 -0.20 0.00 -0.55 0.00 0.00 56.30 55.51 2b87 h ASN 43 Cb 0.29 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2b87 h ASN 43 CO -0.00 0.87 -0.80 -0.07 -1.65 0.00 0.00 177.43 175.77 2b87 h LEU 44 N 0.44 0.59 -0.81 1.61 3.38 -0.64 0.56 115.31 120.44 2b87 h LEU 44 Ca 0.04 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.52 2b87 h LEU 44 Cb 0.85 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2b87 h LEU 44 CO 0.07 1.17 -0.08 0.25 0.09 0.00 0.00 178.44 179.94 2b87 h LEU 45 N 0.31 0.79 -0.28 1.67 5.85 -0.49 0.68 115.31 123.85 2b87 h LEU 45 Ca -0.05 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 2b87 h LEU 45 Cb 1.40 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2b87 h LEU 45 CO 0.14 0.91 0.02 0.00 -0.34 0.00 0.00 178.44 179.18 2b87 h ALA 46 N 1.17 0.37 -0.63 1.25 0.00 0.22 0.35 119.26 122.00 2b87 h ALA 46 Ca 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2b87 h ALA 46 Cb 0.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2b87 h ALA 46 CO 0.03 0.08 0.21 0.93 0.00 0.00 0.00 179.25 180.51 2b87 h GLU 47 N 0.27 0.94 -0.21 0.00 4.39 0.59 0.14 114.58 120.70 2b87 h GLU 47 Ca 0.08 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2b87 h GLU 47 Cb 0.38 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2b87 h GLU 47 CO 0.01 0.79 -0.05 0.00 -1.16 0.00 0.00 179.01 178.60 2b87 h ALA 48 N 1.32 0.29 -0.08 3.43 0.00 0.74 0.71 119.26 125.67 2b87 h ALA 48 Ca 0.21 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2b87 h ALA 48 Cb 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2b87 h ALA 48 CO -0.01 0.07 0.05 0.87 0.00 0.00 0.00 179.25 180.23 2b87 h LYS 49 N 0.13 0.07 -0.04 0.00 1.57 0.20 1.33 116.57 119.82 2b87 h LYS 49 Ca 0.05 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 2b87 h LYS 49 Cb 0.50 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.81 2b87 h LYS 49 CO 0.02 0.04 -0.67 -0.22 -0.57 0.00 0.00 179.45 178.06 2b87 h LYS 50 N 0.07 0.53 -0.30 3.15 3.64 0.01 -0.89 116.57 122.79 2b87 h LYS 50 Ca 0.03 -0.51 -0.13 0.00 -1.27 0.00 0.00 60.65 58.77 2b87 h LYS 50 Cb 0.05 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2b87 h LYS 50 CO -0.00 1.14 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.92 2b87 h LEU 51 N 0.11 0.80 -0.34 5.20 -0.00 0.19 0.27 115.31 121.54 2b87 h LEU 51 Ca -0.07 -0.48 -0.03 0.00 -0.00 0.00 0.00 57.88 57.29 2b87 h LEU 51 Cb 1.34 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 2b87 h LEU 51 CO 0.13 1.12 0.08 -0.55 -0.00 0.00 0.00 178.44 179.23 2b87 h ASN 52 N 0.50 0.52 -0.74 -0.43 -1.07 0.16 0.31 115.58 114.82 2b87 h ASN 52 Ca 0.04 -0.23 -0.06 0.00 0.07 0.00 0.00 56.30 56.13 2b87 h ASN 52 Cb 0.91 -0.14 -0.03 0.00 -2.07 0.00 0.00 38.32 36.99 2b87 h ASN 52 CO 0.08 0.61 0.25 -0.78 0.07 0.00 0.00 177.43 177.66 2b87 h ASP 53 N 0.40 1.07 -0.68 6.14 3.58 -1.08 0.93 116.42 126.77 2b87 h ASP 53 Ca 0.11 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 2b87 h ASP 53 Cb 0.30 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2b87 h ASP 53 CO 0.00 0.99 0.30 0.00 -2.88 0.00 0.00 179.24 177.65 2b87 h ALA 54 N 1.13 1.20 -0.00 -0.78 0.00 -0.08 -0.74 119.26 119.99 2b87 h ALA 54 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2b87 h ALA 54 Cb 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2b87 h ALA 54 CO -0.01 0.59 -0.17 1.04 0.00 0.00 0.00 179.25 180.70 2b87 n GLN 55 N -4.31 0.56 -2.53 0.00 6.02 0.11 -4.87 117.38 112.36 2b87 n GLN 55 Ca 0.06 -0.23 -0.25 0.00 -0.01 0.00 0.00 57.00 56.57 2b87 n GLN 55 Cb 0.16 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.96 2b87 n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b87 s ALA 56 N -2.59 3.43 0.67 -1.58 0.00 0.31 -4.92 121.76 117.08 2b87 s ALA 56 Ca 0.24 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 2b87 s ALA 56 Cb 0.19 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.88 2b87 s ALA 56 CO 0.51 -0.73 1.00 -1.25 0.00 0.00 0.00 175.76 175.30 2b87 s PRO 57 N -4.89 2.64 0.00 0.00 0.05 -1.26 -4.93 135.00 126.60 2b87 s PRO 57 Ca 0.53 0.06 0.00 0.00 0.05 0.00 0.00 61.00 61.64 2b87 s PRO 57 Cb -0.10 -2.16 0.00 0.00 0.05 0.00 0.00 34.50 32.29 2b87 s PRO 57 CO 0.43 -1.00 0.02 1.63 0.05 0.00 0.00 177.00 178.14