#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b87 s ASP 2 N 0.00 0.73 -0.49 4.52 1.47 -1.26 -5.10 116.67 116.54 2b87 s ASP 2 Ca 0.00 -1.44 -0.27 0.00 1.18 0.00 0.00 52.55 52.02 2b87 s ASP 2 Cb 0.00 0.75 -0.02 0.00 -0.34 0.00 0.00 42.92 43.30 2b87 s ASP 2 CO 0.00 -1.47 1.89 0.20 0.68 0.00 0.00 175.17 176.47 2b87 s ASN 3 N -3.21 5.43 0.06 2.11 0.01 -1.26 -4.87 114.94 113.22 2b87 s ASN 3 Ca 0.26 0.80 -0.22 0.00 -0.71 0.00 0.00 52.86 52.99 2b87 s ASN 3 Cb -0.02 -2.53 -0.13 0.00 0.41 0.00 0.00 41.25 38.99 2b87 s ASN 3 CO 0.19 -2.16 1.53 0.07 -1.51 0.00 0.00 177.10 175.22 2b87 h LYS 4 N 14.60 0.20 -0.89 -0.60 2.10 -1.99 0.10 116.57 130.09 2b87 h LYS 4 Ca -0.29 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.30 2b87 h LYS 4 Cb 1.18 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 32.44 2b87 h LYS 4 CO 1.14 0.38 0.50 0.27 -2.00 0.00 0.00 179.45 179.74 2b87 h PHE 5 N -0.02 1.21 -0.32 0.07 -0.00 -1.96 0.71 116.94 116.62 2b87 h PHE 5 Ca 0.04 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.97 57.95 2b87 h PHE 5 Cb 0.28 -0.39 -0.01 0.00 -0.00 0.00 0.00 35.95 35.82 2b87 h PHE 5 CO 0.01 0.83 0.06 -0.97 -0.00 0.00 0.00 178.31 178.23 2b87 h ASN 6 N 1.24 0.51 -0.73 -0.68 -1.24 -1.91 1.35 115.58 114.13 2b87 h ASN 6 Ca 0.32 -0.26 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 2b87 h ASN 6 Cb 0.00 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.88 2b87 h ASN 6 CO -0.05 0.64 0.28 0.50 -1.29 0.00 0.00 177.43 177.51 2b87 h LYS 7 N 0.37 1.10 -0.37 6.67 3.64 -0.21 0.44 116.57 128.21 2b87 h LYS 7 Ca 0.10 -0.20 -0.16 0.00 -1.27 0.00 0.00 60.65 59.12 2b87 h LYS 7 Cb 0.34 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2b87 h LYS 7 CO 0.01 0.91 -0.38 0.93 -2.27 0.00 0.00 179.45 178.64 2b87 h GLU 8 N 1.05 0.89 -0.89 1.90 5.08 0.77 1.42 114.58 124.80 2b87 h GLU 8 Ca 0.24 -0.46 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2b87 h GLU 8 Cb 0.23 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2b87 h GLU 8 CO -0.02 1.11 0.59 1.25 -1.00 0.00 0.00 179.01 180.94 2b87 h LEU 9 N 0.73 1.02 -0.11 1.33 5.85 0.23 0.88 115.31 125.24 2b87 h LEU 9 Ca 0.06 -0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.51 2b87 h LEU 9 Cb 0.97 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.75 2b87 h LEU 9 CO 0.09 0.74 -0.89 1.23 -0.34 0.00 0.00 178.44 179.27 2b87 h GLY 10 N 1.21 0.80 0.53 3.75 0.00 0.24 -2.86 103.07 106.73 2b87 h GLY 10 Ca 0.32 -1.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 2b87 h GLY 10 CO -0.07 1.10 -0.02 -0.25 0.00 0.00 0.00 176.54 177.30 2b87 h TRP 11 N 0.45 -0.06 -0.86 5.60 -0.00 0.29 -1.86 115.95 119.51 2b87 h TRP 11 Ca -0.08 -0.00 0.08 0.00 -0.00 0.00 0.00 58.89 58.88 2b87 h TRP 11 Cb 1.53 0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 30.65 2b87 h TRP 11 CO 0.09 0.39 0.56 0.00 -0.00 0.00 0.00 178.44 179.48 2b87 h ALA 12 N 0.36 1.60 -0.41 2.65 0.00 0.63 0.30 119.26 124.39 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 0.48 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2b87 h ALA 12 CO 0.01 0.26 0.13 1.15 0.00 0.00 0.00 179.25 180.80 2b87 h THR 13 N 0.92 0.85 -0.29 0.00 2.02 -1.39 0.23 112.91 115.25 2b87 h THR 13 Ca 0.38 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.43 2b87 h THR 13 Cb 0.28 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2b87 h THR 13 CO -0.15 0.05 0.04 -0.25 0.37 0.00 0.00 175.52 175.59 2b87 h TRP 14 N 0.28 0.51 -0.89 3.16 2.91 -0.09 0.23 115.95 122.06 2b87 h TRP 14 Ca 0.19 -0.07 -0.00 0.00 1.13 0.00 0.00 58.89 60.13 2b87 h TRP 14 Cb 0.19 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.66 2b87 h TRP 14 CO -0.16 0.58 0.54 0.93 -1.03 0.00 0.00 178.44 179.30 2b87 h GLU 15 N 0.29 1.20 -0.27 2.65 5.08 -0.03 1.08 114.58 124.60 2b87 h GLU 15 Ca 0.09 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2b87 h GLU 15 Cb 0.35 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2b87 h GLU 15 CO 0.01 0.84 -0.39 0.82 -1.00 0.00 0.00 179.01 179.29 2b87 h ILE 16 N 1.22 1.29 -0.60 3.13 2.04 -0.38 -1.75 117.51 122.48 2b87 h ILE 16 Ca 0.32 -1.54 -0.09 0.00 1.00 0.00 0.00 64.86 64.54 2b87 h ILE 16 Cb -0.06 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2b87 h ILE 16 CO -0.06 0.49 0.01 0.15 0.00 0.00 0.00 178.15 178.74 2b87 h PHE 17 N 0.51 1.12 -0.20 1.37 3.57 0.13 -2.86 116.94 120.57 2b87 h PHE 17 Ca 0.05 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2b87 h PHE 17 Cb 0.90 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2b87 h PHE 17 CO 0.04 0.99 0.00 0.09 -2.23 0.00 0.00 178.31 177.19 2b87 n ASN 18 N -4.18 1.61 -4.74 0.41 5.03 0.36 -4.92 115.26 108.83 2b87 n ASN 18 Ca 0.03 -1.77 -0.41 0.00 0.87 0.00 0.00 54.58 53.29 2b87 n ASN 18 Cb 0.34 -0.13 -0.03 0.00 -1.02 0.00 0.00 39.78 38.94 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 -1.41 4.42 0.00 3.41 1.43 -0.68 -4.92 118.68 120.93 2b87 s LEU 19 Ca 0.29 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 2b87 s LEU 19 Cb 0.16 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.76 2b87 s LEU 19 CO 0.23 -0.53 0.83 -2.65 0.23 0.00 0.00 176.35 174.46 2b87 n PRO 20 N 2.54 0.90 0.00 1.29 -0.02 -1.26 -4.03 135.00 134.42 2b87 n PRO 20 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2b87 n PRO 20 Cb 0.43 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 2b87 n PRO 20 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2b87 n ASN 21 N -0.42 0.00 -4.82 2.55 3.02 -1.26 -4.99 115.26 109.34 2b87 n ASN 21 Ca 0.00 -0.89 -0.33 0.00 -0.03 0.00 0.00 54.58 53.33 2b87 n ASN 21 Cb 0.03 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 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 3.93 0.35 3.41 1.43 -1.26 -4.74 118.68 121.81 2b87 s LEU 22 Ca 0.00 1.70 -0.00 0.00 -1.03 0.00 0.00 54.13 54.79 2b87 s LEU 22 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 2b87 s LEU 22 CO 0.00 -0.38 0.56 0.54 0.23 0.00 0.00 176.35 177.30 2b87 s ASN 23 N -2.19 6.30 0.29 2.29 2.20 -1.26 -4.87 114.94 117.70 2b87 s ASN 23 Ca 0.62 0.49 0.04 0.00 -0.94 0.00 0.00 52.86 53.07 2b87 s ASN 23 Cb -0.09 -2.05 0.74 0.00 -2.00 0.00 0.00 41.25 37.84 2b87 s ASN 23 CO 0.14 -0.30 1.69 1.23 -2.94 0.00 0.00 177.10 176.91 2b87 h GLY 24 N 0.78 1.53 0.81 0.45 0.00 -1.99 0.78 103.07 105.43 2b87 h GLY 24 Ca -0.49 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 46.62 2b87 h GLY 24 CO 0.62 -0.28 -0.11 -2.08 0.00 0.00 0.00 176.54 174.68 2b87 h VAL 25 N 0.38 1.31 -0.43 4.60 2.07 -1.97 0.88 116.25 123.09 2b87 h VAL 25 Ca 0.56 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2b87 h VAL 25 Cb 1.08 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 2b87 h VAL 25 CO -0.54 0.36 0.22 1.56 0.02 0.00 0.00 177.57 179.19 2b87 h GLN 26 N 0.13 0.60 -0.57 1.57 4.20 -1.56 0.85 115.11 120.33 2b87 h GLN 26 Ca 0.04 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2b87 h GLN 26 Cb 0.61 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2b87 h GLN 26 CO 0.03 0.50 0.29 0.28 -0.67 0.00 0.00 178.83 179.26 2b87 h VAL 27 N 0.55 1.20 -0.53 -0.54 2.07 -0.91 0.24 116.25 118.34 2b87 h VAL 27 Ca 0.15 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2b87 h VAL 27 Cb 0.09 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2b87 h VAL 27 CO -0.02 0.22 0.24 0.50 0.02 0.00 0.00 177.57 178.53 2b87 h LYS 28 N 0.77 0.74 -0.20 1.57 3.64 -0.25 0.11 116.57 122.95 2b87 h LYS 28 Ca 0.20 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2b87 h LYS 28 Cb 0.09 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2b87 h LYS 28 CO -0.03 0.59 -0.34 0.00 -2.27 0.00 0.00 179.45 177.40 2b87 h ALA 29 N 1.52 0.31 -0.62 5.00 0.00 0.16 0.44 119.26 126.07 2b87 h ALA 29 Ca 0.18 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2b87 h ALA 29 Cb 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2b87 h ALA 29 CO -0.02 0.36 0.23 0.74 0.00 0.00 0.00 179.25 180.56 2b87 h PHE 30 N 0.25 0.94 -0.14 0.00 0.04 -0.18 0.64 116.94 118.50 2b87 h PHE 30 Ca 0.01 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 2b87 h PHE 30 Cb 0.94 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.80 2b87 h PHE 30 CO 0.09 0.73 0.00 0.82 -0.60 0.00 0.00 178.31 179.36 2b87 h ILE 31 N 0.90 1.25 -0.94 -0.55 2.04 -0.58 0.27 117.51 119.90 2b87 h ILE 31 Ca 0.21 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2b87 h ILE 31 Cb 0.21 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2b87 h ILE 31 CO -0.01 0.24 0.62 -0.78 0.00 0.00 0.00 178.15 178.21 2b87 h ASP 32 N -0.02 1.07 -0.44 1.72 3.58 0.68 0.50 116.42 123.52 2b87 h ASP 32 Ca 0.04 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.36 2b87 h ASP 32 Cb 0.36 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2b87 h ASP 32 CO 0.01 0.77 -0.11 0.28 -2.88 0.00 0.00 179.24 177.31 2b87 h SER 33 N 1.26 0.91 0.13 2.28 0.02 0.48 0.21 113.55 118.84 2b87 h SER 33 Ca 0.34 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2b87 h SER 33 Cb -0.14 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.16 2b87 h SER 33 CO -0.08 1.03 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.51 2b87 h LEU 34 N 0.82 -0.15 -0.53 5.07 3.38 0.98 0.89 115.31 125.77 2b87 h LEU 34 Ca 0.13 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2b87 h LEU 34 Cb 0.64 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2b87 h LEU 34 CO 0.04 -0.10 0.32 0.03 0.09 0.00 0.00 178.44 178.82 2b87 h ARG 35 N -0.18 0.62 -0.52 1.13 3.08 0.20 0.16 114.38 118.87 2b87 h ARG 35 Ca -0.02 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 2b87 h ARG 35 Cb 0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2b87 h ARG 35 CO 0.03 0.41 -0.11 0.22 -1.07 0.00 0.00 179.97 179.44 2b87 h ASP 36 N 0.63 0.97 -2.30 7.04 3.58 -0.26 -3.40 116.42 122.69 2b87 h ASP 36 Ca 0.21 -0.32 -0.43 0.00 0.42 0.00 0.00 57.03 56.92 2b87 h ASP 36 Cb 0.02 -0.26 -0.35 0.00 1.72 0.00 0.00 39.33 40.46 2b87 h ASP 36 CO -0.10 1.09 -0.72 -0.62 -2.88 0.00 0.00 179.24 176.02 2b87 s ASP 37 N -6.67 2.15 0.28 2.28 -1.08 0.31 -5.01 116.67 108.94 2b87 s ASP 37 Ca -0.11 -1.35 0.07 0.00 -0.52 0.00 0.00 52.55 50.64 2b87 s ASP 37 Cb 0.13 0.18 0.42 0.00 -1.46 0.00 0.00 42.92 42.19 2b87 s ASP 37 CO 0.86 -0.35 1.67 -0.65 0.52 0.00 0.00 175.17 177.21 2b87 h PRO 38 N 7.73 0.19 0.00 4.34 0.11 -0.89 -2.55 132.00 140.93 2b87 h PRO 38 Ca -0.06 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 2b87 h PRO 38 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2b87 h PRO 38 CO 0.31 0.63 -0.14 1.03 -0.21 0.00 0.00 178.00 179.62 2b87 h SER 39 N 0.15 0.00 0.13 -2.05 0.87 -1.90 0.72 113.55 111.47 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 0.14 -0.03 1.67 -0.53 0.00 0.00 176.83 178.15 2b87 n GLN 40 N -4.31 1.05 -0.32 2.24 7.27 -0.97 -4.21 117.38 118.13 2b87 n GLN 40 Ca -0.03 -0.31 0.20 0.00 0.07 0.00 0.00 57.00 56.93 2b87 n GLN 40 Cb 0.21 -1.49 0.45 0.00 2.41 0.00 0.00 30.24 31.82 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 0.75 0.55 -0.42 1.69 4.64 -0.76 0.40 113.55 120.40 2b87 h SER 41 Ca 0.00 0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 2b87 h SER 41 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2b87 h SER 41 CO 0.00 0.13 -0.06 0.00 -0.87 0.00 0.00 176.83 176.03 2b87 h ALA 42 N 1.64 0.97 -0.24 5.18 0.00 -1.79 0.95 119.26 125.98 2b87 h ALA 42 Ca 0.59 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 2b87 h ALA 42 Cb 1.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2b87 h ALA 42 CO -0.33 0.61 -0.36 -0.91 0.00 0.00 0.00 179.25 178.27 2b87 h ASN 43 N 0.78 0.56 -0.01 0.00 -0.26 -0.59 0.27 115.58 116.33 2b87 h ASN 43 Ca 0.14 -0.23 -0.21 0.00 -0.56 0.00 0.00 56.30 55.44 2b87 h ASN 43 Cb 0.56 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2b87 h ASN 43 CO 0.03 0.87 -0.76 -0.07 -1.06 0.00 0.00 177.43 176.44 2b87 h LEU 44 N 0.45 0.79 -0.93 1.61 3.38 -0.66 0.50 115.31 120.44 2b87 h LEU 44 Ca 0.05 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 2b87 h LEU 44 Cb 0.83 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2b87 h LEU 44 CO 0.07 1.30 0.15 0.25 0.09 0.00 0.00 178.44 180.29 2b87 h LEU 45 N 0.45 0.87 -0.29 1.67 5.85 -0.60 0.63 115.31 123.89 2b87 h LEU 45 Ca -0.04 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 2b87 h LEU 45 Cb 1.37 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2b87 h LEU 45 CO 0.15 0.85 0.06 0.00 -0.34 0.00 0.00 178.44 179.16 2b87 h ALA 46 N 1.27 0.39 -0.68 1.25 0.00 0.15 0.36 119.26 122.00 2b87 h ALA 46 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2b87 h ALA 46 Cb 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2b87 h ALA 46 CO -0.00 0.06 0.29 0.93 0.00 0.00 0.00 179.25 180.53 2b87 h GLU 47 N 0.31 0.99 -0.15 0.00 4.39 0.66 0.17 114.58 120.95 2b87 h GLU 47 Ca 0.09 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2b87 h GLU 47 Cb 0.31 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2b87 h GLU 47 CO 0.00 0.79 -0.05 0.00 -1.16 0.00 0.00 179.01 178.60 2b87 h ALA 48 N 1.34 0.20 -0.17 3.43 0.00 0.70 0.73 119.26 125.50 2b87 h ALA 48 Ca 0.23 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2b87 h ALA 48 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2b87 h ALA 48 CO -0.02 -0.03 0.12 0.87 0.00 0.00 0.00 179.25 180.18 2b87 h LYS 49 N -0.02 0.18 -0.07 0.00 1.79 0.14 1.36 116.57 119.96 2b87 h LYS 49 Ca 0.04 -0.01 -0.20 0.00 -2.18 0.00 0.00 60.65 58.30 2b87 h LYS 49 Cb 0.49 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2b87 h LYS 49 CO 0.02 0.12 -0.72 -0.22 -1.08 0.00 0.00 179.45 177.56 2b87 h LYS 50 N 0.19 0.61 -0.28 3.15 3.64 -0.02 0.13 116.57 123.98 2b87 h LYS 50 Ca 0.07 -0.57 -0.11 0.00 -1.27 0.00 0.00 60.65 58.77 2b87 h LYS 50 Cb 0.05 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2b87 h LYS 50 CO -0.01 1.18 -0.26 -0.07 -2.27 0.00 0.00 179.45 178.02 2b87 h LEU 51 N 0.24 0.70 -0.37 5.20 -0.00 0.18 0.36 115.31 121.62 2b87 h LEU 51 Ca -0.07 -0.46 -0.02 0.00 -0.00 0.00 0.00 57.88 57.33 2b87 h LEU 51 Cb 1.38 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 2b87 h LEU 51 CO 0.15 1.02 0.17 -1.13 -0.00 0.00 0.00 178.44 178.65 2b87 h ASN 52 N 0.39 0.50 -0.69 -0.43 -1.24 0.17 0.46 115.58 114.74 2b87 h ASN 52 Ca 0.05 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 56.88 2b87 h ASN 52 Cb 0.82 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.71 2b87 h ASN 52 CO 0.06 0.50 0.31 -0.78 -1.29 0.00 0.00 177.43 176.23 2b87 h ASP 53 N 0.46 0.93 -0.61 1.15 3.58 -0.60 0.98 116.42 122.32 2b87 h ASP 53 Ca 0.13 -0.15 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 2b87 h ASP 53 Cb 0.14 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 2b87 h ASP 53 CO -0.01 0.82 0.19 0.00 -2.88 0.00 0.00 179.24 177.36 2b87 h ALA 54 N 1.14 1.12 -0.01 -0.78 0.00 0.21 -1.36 119.26 119.58 2b87 h ALA 54 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2b87 h ALA 54 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2b87 h ALA 54 CO -0.02 0.60 -0.05 1.04 0.00 0.00 0.00 179.25 180.82 2b87 n GLN 55 N -4.27 1.30 -2.49 0.00 6.02 0.16 -4.90 117.38 113.21 2b87 n GLN 55 Ca 0.05 -0.62 -0.37 0.00 -0.01 0.00 0.00 57.00 56.05 2b87 n GLN 55 Cb 0.22 -1.49 -0.04 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 -2.12 3.11 -0.61 -1.58 0.00 0.33 -4.87 121.76 116.02 2b87 s ALA 56 Ca 0.37 0.76 -0.38 0.00 0.00 0.00 0.00 51.96 52.71 2b87 s ALA 56 Cb 0.21 -3.30 -0.18 0.00 0.00 0.00 0.00 23.12 19.85 2b87 s ALA 56 CO 0.38 -0.27 2.32 -0.35 0.00 0.00 0.00 175.76 177.83 2b87 n PRO 57 N 0.01 0.23 0.00 0.00 -0.04 -1.26 -4.99 135.00 128.96 2b87 n PRO 57 Ca 0.05 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2b87 n PRO 57 Cb 0.49 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 2b87 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09