#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b87 h ASP 2 N 0.00 0.32 -0.16 -1.34 2.03 -2.08 -1.56 116.42 113.64 2b87 h ASP 2 Ca 0.00 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 2b87 h ASP 2 Cb 0.00 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.42 2b87 h ASP 2 CO 0.00 0.40 0.00 -0.46 -1.03 0.00 0.00 179.24 178.15 2b87 n ASN 3 N -4.33 1.08 -0.14 4.15 6.94 -1.26 -4.25 115.26 117.46 2b87 n ASN 3 Ca 0.00 -2.04 -0.04 0.00 -0.02 0.00 0.00 54.58 52.48 2b87 n ASN 3 Cb 0.22 -0.19 0.04 0.00 -2.36 0.00 0.00 39.78 37.49 2b87 n ASN 3 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2b87 h LYS 4 N 0.94 0.30 -0.90 -3.83 1.63 -1.71 0.52 116.57 113.53 2b87 h LYS 4 Ca 0.00 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2b87 h LYS 4 Cb 0.33 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.85 2b87 h LYS 4 CO 0.02 0.20 0.51 0.27 -3.45 0.00 0.00 179.45 177.00 2b87 h PHE 5 N 0.31 1.22 -0.33 1.91 -0.00 -1.82 0.50 116.94 118.71 2b87 h PHE 5 Ca 0.21 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 58.11 2b87 h PHE 5 Cb 0.21 -0.39 -0.01 0.00 -0.00 0.00 0.00 35.95 35.75 2b87 h PHE 5 CO -0.16 0.83 0.01 -0.97 -0.00 0.00 0.00 178.31 178.02 2b87 h ASN 6 N 1.25 0.57 -0.71 -0.68 -1.24 -1.57 1.49 115.58 114.70 2b87 h ASN 6 Ca 0.32 -0.30 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 2b87 h ASN 6 Cb -0.00 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 2b87 h ASN 6 CO -0.05 0.73 0.44 0.50 -1.29 0.00 0.00 177.43 177.75 2b87 h LYS 7 N 0.39 0.96 -0.15 6.67 3.64 0.54 0.26 116.57 128.88 2b87 h LYS 7 Ca 0.10 -0.08 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 2b87 h LYS 7 Cb 0.43 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2b87 h LYS 7 CO 0.02 0.67 -0.70 0.93 -2.27 0.00 0.00 179.45 178.09 2b87 h GLU 8 N 0.97 0.65 -0.99 1.90 5.08 0.28 0.12 114.58 122.60 2b87 h GLU 8 Ca 0.26 -0.50 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2b87 h GLU 8 Cb -0.05 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2b87 h GLU 8 CO -0.05 1.12 0.65 1.25 -1.00 0.00 0.00 179.01 180.98 2b87 h LEU 9 N 0.46 1.11 -0.15 1.33 5.85 0.27 1.09 115.31 125.27 2b87 h LEU 9 Ca -0.03 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.47 2b87 h LEU 9 Cb 1.30 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 42.07 2b87 h LEU 9 CO 0.14 0.78 -0.68 1.23 -0.34 0.00 0.00 178.44 179.57 2b87 h GLY 10 N 1.30 0.80 0.51 3.75 0.00 -0.35 -2.80 103.07 106.28 2b87 h GLY 10 Ca 0.38 -1.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 2b87 h GLY 10 CO -0.10 0.99 -0.00 -0.25 0.00 0.00 0.00 176.54 177.18 2b87 h TRP 11 N 0.43 0.01 -0.82 5.60 -0.00 0.43 -1.32 115.95 120.29 2b87 h TRP 11 Ca -0.04 -0.00 0.08 0.00 -0.00 0.00 0.00 58.89 58.92 2b87 h TRP 11 Cb 1.31 -0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.41 2b87 h TRP 11 CO 0.09 0.51 0.53 0.00 -0.00 0.00 0.00 178.44 179.57 2b87 h ALA 12 N 0.50 1.65 -0.41 2.65 0.00 0.11 0.48 119.26 124.24 2b87 h ALA 12 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2b87 h ALA 12 Cb 0.50 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2b87 h ALA 12 CO 0.00 0.21 0.15 1.15 0.00 0.00 0.00 179.25 180.76 2b87 h THR 13 N 0.85 0.89 -0.26 0.00 2.02 -1.36 0.12 112.91 115.16 2b87 h THR 13 Ca 0.36 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 2b87 h THR 13 Cb 0.30 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2b87 h THR 13 CO -0.14 0.06 0.04 -0.25 0.37 0.00 0.00 175.52 175.60 2b87 h TRP 14 N 0.32 0.47 -0.70 3.16 2.91 0.41 0.20 115.95 122.71 2b87 h TRP 14 Ca 0.19 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 2b87 h TRP 14 Cb 0.16 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 2b87 h TRP 14 CO -0.14 0.55 0.41 0.93 -1.03 0.00 0.00 178.44 179.16 2b87 h GLU 15 N 0.25 0.95 -0.25 2.65 5.08 0.24 0.89 114.58 124.38 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 0.34 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2b87 h GLU 15 CO 0.01 0.67 -0.51 0.82 -1.00 0.00 0.00 179.01 179.00 2b87 h ILE 16 N 0.96 1.30 -0.52 3.13 2.04 -0.59 -2.54 117.51 121.29 2b87 h ILE 16 Ca 0.25 -1.71 -0.04 0.00 1.00 0.00 0.00 64.86 64.35 2b87 h ILE 16 Cb -0.03 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2b87 h ILE 16 CO -0.05 0.55 0.14 0.15 0.00 0.00 0.00 178.15 178.94 2b87 h PHE 17 N 0.55 0.81 -0.15 1.37 3.57 0.12 -2.48 116.94 120.72 2b87 h PHE 17 Ca 0.02 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2b87 h PHE 17 Cb 1.07 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2b87 h PHE 17 CO 0.05 0.67 0.00 0.09 -2.23 0.00 0.00 178.31 176.90 2b87 n ASN 18 N -4.29 1.45 -4.75 0.41 4.13 0.29 -4.92 115.26 107.59 2b87 n ASN 18 Ca 0.04 -1.68 -0.41 0.00 1.68 0.00 0.00 54.58 54.21 2b87 n ASN 18 Cb 0.21 -0.10 -0.03 0.00 -1.54 0.00 0.00 39.78 38.32 2b87 n ASN 18 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2b87 s LEU 19 N -1.55 4.44 -0.04 3.41 1.43 -0.94 -4.92 118.68 120.52 2b87 s LEU 19 Ca 0.31 2.42 0.05 0.00 -1.03 0.00 0.00 54.13 55.88 2b87 s LEU 19 Cb 0.17 -3.62 0.20 0.00 0.03 0.00 0.00 46.19 42.97 2b87 s LEU 19 CO 0.25 -0.45 0.98 -0.81 0.23 0.00 0.00 176.35 176.55 2b87 n PRO 20 N 2.00 1.79 0.00 1.29 -0.05 -1.26 -4.11 135.00 134.66 2b87 n PRO 20 Ca 0.03 -0.80 0.00 0.00 -0.05 0.00 0.00 63.50 62.68 2b87 n PRO 20 Cb 0.43 -1.46 0.00 0.00 -0.05 0.00 0.00 33.50 32.42 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 0.13 0.00 -4.85 3.54 3.02 -1.26 -5.00 115.26 110.84 2b87 n ASN 21 Ca 0.07 -1.00 -0.33 0.00 -0.03 0.00 0.00 54.58 53.30 2b87 n ASN 21 Cb 0.35 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 2b87 n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b87 s LEU 22 N 0.00 4.09 0.36 3.41 1.43 -1.26 -4.65 118.68 122.06 2b87 s LEU 22 Ca 0.00 1.22 -0.03 0.00 -1.03 0.00 0.00 54.13 54.29 2b87 s LEU 22 Cb 0.00 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 2b87 s LEU 22 CO 0.00 -0.17 0.61 0.54 0.23 0.00 0.00 176.35 177.56 2b87 s ASN 23 N -2.26 6.36 0.29 2.29 2.20 -1.26 -4.87 114.94 117.68 2b87 s ASN 23 Ca 0.52 0.68 0.02 0.00 -0.94 0.00 0.00 52.86 53.15 2b87 s ASN 23 Cb -0.11 -2.13 0.70 0.00 -2.00 0.00 0.00 41.25 37.71 2b87 s ASN 23 CO 0.18 -0.32 1.67 1.23 -2.94 0.00 0.00 177.10 176.92 2b87 h GLY 24 N 1.02 1.41 0.85 0.45 0.00 -1.99 0.97 103.07 105.78 2b87 h GLY 24 Ca -0.48 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 2b87 h GLY 24 CO 0.63 -0.31 -0.12 -2.08 0.00 0.00 0.00 176.54 174.66 2b87 h VAL 25 N 0.29 1.30 -0.62 4.60 2.07 -1.97 -0.29 116.25 121.63 2b87 h VAL 25 Ca 0.54 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2b87 h VAL 25 Cb 1.06 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2b87 h VAL 25 CO -0.59 0.37 0.34 1.56 0.02 0.00 0.00 177.57 179.27 2b87 h GLN 26 N 0.22 0.87 -0.49 1.57 4.20 -1.49 0.92 115.11 120.91 2b87 h GLN 26 Ca 0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2b87 h GLN 26 Cb 0.62 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2b87 h GLN 26 CO 0.04 0.67 0.26 0.28 -0.67 0.00 0.00 178.83 179.40 2b87 h VAL 27 N 0.85 1.18 -0.42 -0.54 2.07 -0.85 0.25 116.25 118.79 2b87 h VAL 27 Ca 0.22 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2b87 h VAL 27 Cb 0.05 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2b87 h VAL 27 CO -0.03 0.19 0.13 0.11 0.02 0.00 0.00 177.57 177.99 2b87 h LYS 28 N 0.66 0.61 -0.25 1.57 1.57 -0.38 0.11 116.57 120.46 2b87 h LYS 28 Ca 0.17 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 2b87 h LYS 28 Cb 0.08 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2b87 h LYS 28 CO -0.03 0.54 -0.26 0.00 -0.57 0.00 0.00 179.45 179.14 2b87 h ALA 29 N 1.54 0.37 -0.62 3.86 0.00 0.18 0.67 119.26 125.27 2b87 h ALA 29 Ca 0.14 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2b87 h ALA 29 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2b87 h ALA 29 CO -0.01 0.36 0.15 0.74 0.00 0.00 0.00 179.25 180.49 2b87 h PHE 30 N 0.33 1.01 -0.22 0.00 0.04 -0.16 0.78 116.94 118.71 2b87 h PHE 30 Ca 0.04 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 2b87 h PHE 30 Cb 0.82 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 2b87 h PHE 30 CO 0.08 0.83 0.07 0.82 -0.60 0.00 0.00 178.31 179.51 2b87 h ILE 31 N 0.93 1.19 -0.72 -0.55 2.04 -0.50 0.34 117.51 120.24 2b87 h ILE 31 Ca 0.20 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 2b87 h ILE 31 Cb 0.33 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2b87 h ILE 31 CO 0.00 0.19 0.35 0.44 0.00 0.00 0.00 178.15 179.12 2b87 h ASP 32 N 0.19 0.93 -0.32 1.72 3.32 0.12 0.51 116.42 122.89 2b87 h ASP 32 Ca 0.07 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 2b87 h ASP 32 Cb 0.22 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2b87 h ASP 32 CO -0.00 0.79 -0.23 0.28 -1.72 0.00 0.00 179.24 178.36 2b87 h SER 33 N 1.02 0.82 0.08 6.45 0.02 0.86 0.19 113.55 123.00 2b87 h SER 33 Ca 0.25 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2b87 h SER 33 Cb 0.10 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2b87 h SER 33 CO -0.03 1.02 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.57 2b87 h LEU 34 N 0.70 -0.09 -0.60 5.07 3.38 0.77 0.89 115.31 125.42 2b87 h LEU 34 Ca 0.09 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2b87 h LEU 34 Cb 0.75 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 2b87 h LEU 34 CO 0.06 -0.03 0.37 0.03 0.09 0.00 0.00 178.44 178.96 2b87 h ARG 35 N -0.15 0.72 -0.43 1.13 3.08 0.22 0.17 114.38 119.12 2b87 h ARG 35 Ca -0.01 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 2b87 h ARG 35 Cb 0.12 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2b87 h ARG 35 CO 0.02 0.47 -0.28 0.22 -1.07 0.00 0.00 179.97 179.34 2b87 h ASP 36 N 0.74 0.96 -2.40 7.04 3.58 -0.30 -3.40 116.42 122.65 2b87 h ASP 36 Ca 0.24 -0.39 -0.47 0.00 0.42 0.00 0.00 57.03 56.83 2b87 h ASP 36 Cb 0.01 -0.27 -0.36 0.00 1.72 0.00 0.00 39.33 40.43 2b87 h ASP 36 CO -0.10 1.17 -0.75 -0.62 -2.88 0.00 0.00 179.24 176.06 2b87 s ASP 37 N -6.77 2.43 0.29 2.28 -1.08 0.30 -5.01 116.67 109.12 2b87 s ASP 37 Ca -0.11 -1.56 0.07 0.00 -0.52 0.00 0.00 52.55 50.44 2b87 s ASP 37 Cb 0.12 0.01 0.42 0.00 -1.46 0.00 0.00 42.92 42.02 2b87 s ASP 37 CO 0.87 -0.34 1.67 -0.65 0.52 0.00 0.00 175.17 177.23 2b87 h PRO 38 N 7.59 0.17 0.00 4.34 0.11 -0.88 -2.56 132.00 140.77 2b87 h PRO 38 Ca -0.04 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 2b87 h PRO 38 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2b87 h PRO 38 CO 0.30 0.62 -0.18 1.03 -0.21 0.00 0.00 178.00 179.56 2b87 h SER 39 N 0.14 0.00 0.02 -2.05 0.87 -1.90 0.23 113.55 110.85 2b87 h SER 39 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2b87 h SER 39 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2b87 h SER 39 CO 0.07 0.18 -0.01 1.67 -0.53 0.00 0.00 176.83 178.21 2b87 n GLN 40 N -4.32 1.22 -0.32 2.24 7.27 -0.97 -4.24 117.38 118.26 2b87 n GLN 40 Ca -0.02 -0.37 0.20 0.00 0.07 0.00 0.00 57.00 56.87 2b87 n GLN 40 Cb 0.24 -1.49 0.45 0.00 2.41 0.00 0.00 30.24 31.85 2b87 n GLN 40 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2b87 h SER 41 N 0.91 0.54 -0.41 1.69 4.64 -0.84 0.41 113.55 120.49 2b87 h SER 41 Ca 0.00 0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.31 2b87 h SER 41 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2b87 h SER 41 CO 0.00 0.13 -0.10 0.00 -0.87 0.00 0.00 176.83 175.99 2b87 h ALA 42 N 1.64 0.93 -0.22 5.18 0.00 -1.80 0.70 119.26 125.70 2b87 h ALA 42 Ca 0.59 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2b87 h ALA 42 Cb 1.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2b87 h ALA 42 CO -0.33 0.63 -0.36 -0.91 0.00 0.00 0.00 179.25 178.28 2b87 h ASN 43 N 0.78 0.49 0.05 0.00 4.21 -0.59 0.25 115.58 120.77 2b87 h ASN 43 Ca 0.13 -0.20 -0.21 0.00 1.21 0.00 0.00 56.30 57.22 2b87 h ASN 43 Cb 0.60 -0.14 0.01 0.00 -1.12 0.00 0.00 38.32 37.67 2b87 h ASN 43 CO 0.04 0.81 -0.80 -0.07 -1.29 0.00 0.00 177.43 176.12 2b87 h LEU 44 N 0.40 0.74 -0.95 1.61 3.38 -0.63 0.48 115.31 120.35 2b87 h LEU 44 Ca 0.04 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 2b87 h LEU 44 Cb 0.82 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2b87 h LEU 44 CO 0.07 1.29 0.13 0.25 0.09 0.00 0.00 178.44 180.27 2b87 h LEU 45 N 0.41 0.85 -0.27 1.67 5.85 -0.64 0.66 115.31 123.83 2b87 h LEU 45 Ca -0.06 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 2b87 h LEU 45 Cb 1.42 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2b87 h LEU 45 CO 0.15 0.83 0.05 0.00 -0.34 0.00 0.00 178.44 179.13 2b87 h ALA 46 N 1.28 0.36 -0.78 1.25 0.00 0.10 0.27 119.26 121.73 2b87 h ALA 46 Ca 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2b87 h ALA 46 Cb 0.32 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2b87 h ALA 46 CO 0.00 0.04 0.41 0.93 0.00 0.00 0.00 179.25 180.63 2b87 h GLU 47 N 0.26 1.10 -0.11 0.00 4.39 0.63 0.21 114.58 121.06 2b87 h GLU 47 Ca 0.08 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2b87 h GLU 47 Cb 0.33 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2b87 h GLU 47 CO 0.00 0.81 0.00 0.00 -1.16 0.00 0.00 179.01 178.67 2b87 h ALA 48 N 1.35 0.14 -0.31 3.43 0.00 0.75 0.72 119.26 125.34 2b87 h ALA 48 Ca 0.27 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2b87 h ALA 48 Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2b87 h ALA 48 CO -0.04 -0.17 0.21 0.87 0.00 0.00 0.00 179.25 180.12 2b87 h LYS 49 N -0.08 0.28 -0.16 0.00 1.79 0.04 1.36 116.57 119.80 2b87 h LYS 49 Ca 0.03 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.27 2b87 h LYS 49 Cb 0.35 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.95 2b87 h LYS 49 CO 0.01 0.18 -0.74 0.87 -1.08 0.00 0.00 179.45 178.68 2b87 h LYS 50 N 0.28 0.78 -0.31 3.15 1.57 0.16 0.21 116.57 122.41 2b87 h LYS 50 Ca 0.13 -0.63 -0.15 0.00 -1.87 0.00 0.00 60.65 58.13 2b87 h LYS 50 Cb 0.17 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2b87 h LYS 50 CO -0.03 1.24 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.65 2b87 h LEU 51 N 0.51 0.88 -0.30 2.94 -0.00 0.23 0.28 115.31 119.84 2b87 h LEU 51 Ca -0.05 -0.49 -0.02 0.00 -0.00 0.00 0.00 57.88 57.33 2b87 h LEU 51 Cb 1.38 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 2b87 h LEU 51 CO 0.15 1.19 0.12 -1.13 -0.00 0.00 0.00 178.44 178.78 2b87 h ASN 52 N 0.58 0.41 -0.73 -0.43 -0.73 0.17 0.54 115.58 115.40 2b87 h ASN 52 Ca 0.04 -0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.02 2b87 h ASN 52 Cb 0.97 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.42 2b87 h ASN 52 CO 0.09 0.46 0.32 0.44 -0.37 0.00 0.00 177.43 178.36 2b87 h ASP 53 N 0.34 0.98 -0.51 1.15 3.32 -0.48 0.56 116.42 121.79 2b87 h ASP 53 Ca 0.10 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 2b87 h ASP 53 Cb 0.17 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2b87 h ASP 53 CO -0.01 0.87 0.04 0.00 -1.72 0.00 0.00 179.24 178.41 2b87 h ALA 54 N 1.15 1.02 -0.01 3.45 0.00 -0.01 -1.90 119.26 122.96 2b87 h ALA 54 Ca 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2b87 h ALA 54 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2b87 h ALA 54 CO -0.02 0.61 0.00 1.04 0.00 0.00 0.00 179.25 180.88 2b87 n GLN 55 N -4.21 1.45 -2.21 0.00 6.02 0.19 -4.90 117.38 113.71 2b87 n GLN 55 Ca 0.03 -0.65 -0.38 0.00 -0.01 0.00 0.00 57.00 56.00 2b87 n GLN 55 Cb 0.30 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.00 3.02 0.36 -1.58 0.00 0.19 -4.91 121.76 116.84 2b87 s ALA 56 Ca 0.41 1.00 -0.23 0.00 0.00 0.00 0.00 51.96 53.14 2b87 s ALA 56 Cb 0.21 -3.41 -0.16 0.00 0.00 0.00 0.00 23.12 19.77 2b87 s ALA 56 CO 0.34 -0.70 0.19 -0.35 0.00 0.00 0.00 175.76 175.24 2b87 n PRO 57 N -0.37 0.01 0.00 0.00 -0.04 -1.26 -5.01 135.00 128.33 2b87 n PRO 57 Ca 0.07 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2b87 n PRO 57 Cb 0.47 -1.01 0.01 0.00 -0.04 0.00 0.00 33.50 32.93 2b87 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09