#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b88 s ASP 2 N 0.00 6.32 0.00 -1.34 2.15 -1.26 -4.86 116.67 117.68 2b88 s ASP 2 Ca 0.00 0.83 0.28 0.00 0.43 0.00 0.00 52.55 54.09 2b88 s ASP 2 Cb 0.00 -2.54 1.61 0.00 -0.30 0.00 0.00 42.92 41.69 2b88 s ASP 2 CO 0.00 -1.44 2.04 0.59 -0.17 0.00 0.00 175.17 176.19 2b88 n ASN 3 N 8.87 0.11 -4.72 -0.34 3.02 -1.26 -4.56 115.26 116.37 2b88 n ASN 3 Ca 0.17 -1.16 -0.41 0.00 -0.03 0.00 0.00 54.58 53.14 2b88 n ASN 3 Cb 0.48 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.61 2b88 n ASN 3 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2b88 s LYS 4 N -2.00 4.63 0.15 3.52 2.36 -1.26 -4.65 119.74 122.48 2b88 s LYS 4 Ca 0.41 1.41 -0.30 0.00 -2.55 0.00 0.00 55.97 54.95 2b88 s LYS 4 Cb 0.19 -3.41 -0.07 0.00 -1.05 0.00 0.00 37.83 33.49 2b88 s LYS 4 CO 0.32 0.10 1.16 -0.59 1.55 0.00 0.00 175.35 177.89 2b88 s PHE 5 N 0.45 3.49 0.00 4.03 -0.71 -1.26 -4.84 117.98 119.14 2b88 s PHE 5 Ca 0.49 1.45 0.00 0.00 -1.04 0.00 0.00 56.93 57.83 2b88 s PHE 5 Cb -0.22 -3.37 0.00 0.00 -1.21 0.00 0.00 43.02 38.22 2b88 s PHE 5 CO 0.29 -1.00 0.00 0.09 -1.34 0.00 0.00 175.22 173.25 2b88 n ASN 6 N 2.87 0.00 0.27 1.98 3.02 -1.26 -4.94 115.26 117.20 2b88 n ASN 6 Ca 0.05 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.76 2b88 n ASN 6 Cb 0.46 0.00 0.90 0.00 -0.61 0.00 0.00 39.78 40.52 2b88 n ASN 6 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2b88 h LYS 7 N 0.00 0.00 -0.02 3.52 1.79 -1.97 0.21 116.57 120.10 2b88 h LYS 7 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2b88 h LYS 7 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2b88 h LYS 7 CO 0.00 0.00 -0.08 0.93 -1.08 0.00 0.00 179.45 179.22 2b88 h GLU 8 N 0.00 0.09 0.00 3.15 4.39 -1.94 -1.35 114.58 118.92 2b88 h GLU 8 Ca 0.03 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 2b88 h GLU 8 Cb 0.17 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2b88 h GLU 8 CO -0.00 0.72 -0.45 -0.07 -1.16 0.00 0.00 179.01 178.06 2b88 h LEU 9 N -0.52 0.00 -0.53 1.33 4.07 -1.74 -2.46 115.31 115.46 2b88 h LEU 9 Ca -0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.81 2b88 h LEU 9 Cb 0.74 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.46 2b88 h LEU 9 CO 0.02 0.45 -0.68 1.23 -1.08 0.00 0.00 178.44 178.38 2b88 h GLY 10 N 2.25 0.00 0.83 0.83 0.00 -0.63 -2.18 103.07 104.16 2b88 h GLY 10 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2b88 h GLY 10 CO 0.06 0.00 -0.24 -0.25 0.00 0.00 0.00 176.54 176.11 2b88 h TRP 11 N 0.00 -0.61 -0.06 5.60 7.01 -0.76 -2.76 115.95 124.36 2b88 h TRP 11 Ca -0.01 -0.01 -0.15 0.00 2.11 0.00 0.00 58.89 60.83 2b88 h TRP 11 Cb 1.27 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 28.52 2b88 h TRP 11 CO 0.00 -0.31 -0.63 0.00 -2.79 0.00 0.00 178.44 174.71 2b88 h ALA 12 N -0.42 0.81 -0.19 2.65 0.00 -1.57 -2.82 119.26 117.71 2b88 h ALA 12 Ca -0.07 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.29 2b88 h ALA 12 Cb 0.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2b88 h ALA 12 CO 0.11 0.75 0.09 1.15 0.00 0.00 0.00 179.25 181.35 2b88 h THR 13 N 0.17 0.99 -0.37 0.00 2.02 -1.39 0.16 112.91 114.48 2b88 h THR 13 Ca -0.01 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 66.95 2b88 h THR 13 Cb 1.15 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2b88 h THR 13 CO 0.10 0.04 -0.38 -0.25 0.37 0.00 0.00 175.52 175.40 2b88 h TRP 14 N 0.19 1.06 -0.31 3.16 7.01 -1.56 0.12 115.95 125.62 2b88 h TRP 14 Ca 0.08 -0.31 0.03 0.00 2.11 0.00 0.00 58.89 60.80 2b88 h TRP 14 Cb 0.03 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 2b88 h TRP 14 CO -0.10 1.12 0.11 0.93 -2.79 0.00 0.00 178.44 177.71 2b88 h GLU 15 N 0.73 0.24 -0.34 2.65 4.39 -1.16 0.31 114.58 121.38 2b88 h GLU 15 Ca 0.06 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 2b88 h GLU 15 Cb 0.96 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2b88 h GLU 15 CO 0.09 0.16 -0.11 0.82 -1.16 0.00 0.00 179.01 178.81 2b88 h ILE 16 N 0.25 1.28 0.00 3.13 2.04 -0.69 -2.38 117.51 121.13 2b88 h ILE 16 Ca 0.14 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2b88 h ILE 16 Cb 0.10 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2b88 h ILE 16 CO -0.13 0.39 0.00 -0.26 0.00 0.00 0.00 178.15 178.15 2b88 h PHE 17 N 0.46 0.00 -0.17 1.37 0.04 -0.47 -1.73 116.94 116.45 2b88 h PHE 17 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2b88 h PHE 17 Cb 0.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.78 2b88 h PHE 17 CO 0.05 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.85 2b88 n ASN 18 N -3.00 1.68 -4.67 2.17 4.13 0.10 -4.81 115.26 110.86 2b88 n ASN 18 Ca -0.02 -2.13 -0.40 0.00 1.68 0.00 0.00 54.58 53.71 2b88 n ASN 18 Cb 0.15 -0.36 -0.05 0.00 -1.54 0.00 0.00 39.78 37.98 2b88 n ASN 18 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2b88 s LEU 19 N -0.84 4.17 0.00 3.41 1.43 -0.65 -4.95 118.68 121.25 2b88 s LEU 19 Ca 0.13 0.97 0.15 0.00 -1.03 0.00 0.00 54.13 54.35 2b88 s LEU 19 Cb 0.09 -3.01 0.87 0.00 0.03 0.00 0.00 46.19 44.16 2b88 s LEU 19 CO 0.06 -0.30 1.32 -0.81 0.23 0.00 0.00 176.35 176.86 2b88 n PRO 20 N 4.97 0.62 0.00 1.29 -0.05 -1.26 -3.27 135.00 137.31 2b88 n PRO 20 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 2b88 n PRO 20 Cb 0.50 -1.36 0.00 0.00 -0.05 0.00 0.00 33.50 32.58 2b88 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2b88 n ASN 21 N -0.86 0.48 -4.79 3.54 3.02 -1.26 -5.04 115.26 110.35 2b88 n ASN 21 Ca 0.11 -0.88 -0.29 0.00 -0.03 0.00 0.00 54.58 53.49 2b88 n ASN 21 Cb 0.05 0.10 0.12 0.00 -0.61 0.00 0.00 39.78 39.44 2b88 n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b88 s LEU 22 N -0.20 2.25 0.12 3.41 1.43 -1.20 -4.79 118.68 119.69 2b88 s LEU 22 Ca 0.00 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.31 2b88 s LEU 22 Cb 0.00 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2b88 s LEU 22 CO 0.00 -2.34 -0.18 0.21 0.23 0.00 0.00 176.35 174.27 2b88 s ASN 23 N -3.93 2.35 0.59 2.29 2.47 -1.26 -4.99 114.94 112.46 2b88 s ASN 23 Ca 0.63 -0.74 0.31 0.00 0.42 0.00 0.00 52.86 53.48 2b88 s ASN 23 Cb -0.15 -0.12 1.35 0.00 -1.45 0.00 0.00 41.25 40.88 2b88 s ASN 23 CO 0.54 -0.02 1.70 1.23 -3.72 0.00 0.00 177.10 176.83 2b88 h GLY 24 N 3.83 0.00 0.39 1.21 0.00 -1.98 0.16 103.07 106.68 2b88 h GLY 24 Ca -0.43 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2b88 h GLY 24 CO 0.44 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.82 2b88 h VAL 25 N 0.00 1.53 -0.26 4.60 2.07 -1.98 -2.22 116.25 119.99 2b88 h VAL 25 Ca 0.39 -1.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 2b88 h VAL 25 Cb 2.01 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 34.36 2b88 h VAL 25 CO -0.00 0.44 -0.04 1.56 0.02 0.00 0.00 177.57 179.54 2b88 h GLN 26 N -0.57 0.49 0.11 1.57 4.20 -1.17 0.18 115.11 119.91 2b88 h GLN 26 Ca -0.01 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 2b88 h GLN 26 Cb 0.76 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2b88 h GLN 26 CO 0.02 0.69 -0.08 0.28 -0.67 0.00 0.00 178.83 179.07 2b88 h VAL 27 N 0.24 0.83 -0.76 -0.54 2.07 -1.15 -0.54 116.25 116.40 2b88 h VAL 27 Ca 0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.71 2b88 h VAL 27 Cb 0.50 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 2b88 h VAL 27 CO 0.02 0.00 0.50 0.11 0.02 0.00 0.00 177.57 178.22 2b88 h LYS 28 N -0.19 0.54 -0.65 1.57 1.79 -1.34 1.43 116.57 119.73 2b88 h LYS 28 Ca -0.00 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 2b88 h LYS 28 Cb 0.17 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 2b88 h LYS 28 CO -0.00 0.36 0.29 0.00 -1.08 0.00 0.00 179.45 179.02 2b88 h ALA 29 N 1.63 0.84 -0.10 3.86 0.00 0.21 2.04 119.26 127.74 2b88 h ALA 29 Ca 0.36 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 2b88 h ALA 29 Cb 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2b88 h ALA 29 CO -0.13 0.42 -0.76 0.74 0.00 0.00 0.00 179.25 179.52 2b88 h PHE 30 N 0.90 0.76 -0.34 0.00 0.04 0.99 -0.99 116.94 118.28 2b88 h PHE 30 Ca 0.22 -0.34 -0.05 0.00 2.80 0.00 0.00 57.97 60.60 2b88 h PHE 30 Cb 0.15 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 2b88 h PHE 30 CO 0.01 1.13 -0.01 0.82 -0.60 0.00 0.00 178.31 179.65 2b88 h ILE 31 N 0.38 1.20 -0.26 -0.55 1.08 0.25 -0.71 117.51 118.90 2b88 h ILE 31 Ca -0.04 -0.82 -0.10 0.00 -0.39 0.00 0.00 64.86 63.51 2b88 h ILE 31 Cb 1.36 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 36.06 2b88 h ILE 31 CO 0.14 0.28 -0.27 0.44 -0.69 0.00 0.00 178.15 178.05 2b88 h ASP 32 N 0.52 0.52 0.46 1.72 3.32 0.37 -2.31 116.42 121.01 2b88 h ASP 32 Ca 0.11 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.86 2b88 h ASP 32 Cb 0.35 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2b88 h ASP 32 CO 0.01 0.78 -0.51 0.28 -1.72 0.00 0.00 179.24 178.07 2b88 h SER 33 N 0.45 0.06 0.19 6.45 0.02 -0.17 -2.60 113.55 117.94 2b88 h SER 33 Ca 0.06 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2b88 h SER 33 Cb 0.71 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2b88 h SER 33 CO 0.05 0.57 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.06 2b88 h LEU 34 N 0.05 -0.48 -0.78 5.07 -0.00 -0.59 0.20 115.31 118.79 2b88 h LEU 34 Ca -0.00 0.04 -0.09 0.00 -0.00 0.00 0.00 57.88 57.83 2b88 h LEU 34 Cb 0.93 0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 2b88 h LEU 34 CO 0.07 -0.27 -0.06 0.08 -0.00 0.00 0.00 178.44 178.26 2b88 h ARG 35 N -0.40 0.86 -0.49 1.13 0.11 -1.54 0.37 114.38 114.43 2b88 h ARG 35 Ca -0.00 -0.27 -0.01 0.00 0.10 0.00 0.00 59.98 59.80 2b88 h ARG 35 Cb 0.37 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 2b88 h ARG 35 CO -0.04 0.90 0.26 -0.44 0.10 0.00 0.00 179.97 180.75 2b88 h ASP 36 N 0.79 0.60 -0.60 0.08 3.32 -1.12 -3.38 116.42 116.11 2b88 h ASP 36 Ca 0.14 -0.04 0.14 0.00 0.02 0.00 0.00 57.03 57.29 2b88 h ASP 36 Cb 0.55 -0.15 -0.20 0.00 0.22 0.00 0.00 39.33 39.75 2b88 h ASP 36 CO 0.03 0.50 -0.14 -0.62 -1.72 0.00 0.00 179.24 177.28 2b88 s ASP 37 N -6.61 -0.95 0.49 6.45 -1.08 0.68 -4.92 116.67 110.74 2b88 s ASP 37 Ca -0.09 0.22 0.29 0.00 -0.52 0.00 0.00 52.55 52.45 2b88 s ASP 37 Cb 0.17 1.65 1.03 0.00 -1.46 0.00 0.00 42.92 44.31 2b88 s ASP 37 CO 0.76 -0.17 1.86 -0.65 0.52 0.00 0.00 175.17 177.48 2b88 h PRO 38 N 7.71 0.00 0.00 4.34 0.11 -0.47 -2.83 132.00 140.86 2b88 h PRO 38 Ca -0.09 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 2b88 h PRO 38 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2b88 h PRO 38 CO 0.03 0.08 -0.09 0.77 -0.21 0.00 0.00 178.00 178.57 2b88 h SER 39 N 0.00 0.00 0.31 -2.05 0.02 -1.93 -0.28 113.55 109.61 2b88 h SER 39 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b88 h SER 39 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2b88 h SER 39 CO 0.01 0.09 -0.08 0.00 -1.14 0.00 0.00 176.83 175.71 2b88 n GLN 40 N -3.78 0.77 -0.31 3.45 1.13 -1.07 -4.38 117.38 113.19 2b88 n GLN 40 Ca -0.02 -0.24 0.25 0.00 -1.94 0.00 0.00 57.00 55.05 2b88 n GLN 40 Cb 0.19 -1.50 0.47 0.00 0.11 0.00 0.00 30.24 29.52 2b88 n GLN 40 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2b88 n SER 41 N -0.91 0.20 0.04 1.08 3.41 -0.12 0.26 113.62 117.58 2b88 n SER 41 Ca 0.16 1.56 -0.05 0.00 -0.26 0.00 0.00 58.87 60.27 2b88 n SER 41 Cb 0.26 -0.70 0.14 0.00 -0.26 0.00 0.00 64.21 63.65 2b88 n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b88 h ALA 42 N 1.86 0.92 -0.26 7.33 0.00 -1.83 -0.22 119.26 127.06 2b88 h ALA 42 Ca 0.73 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 2b88 h ALA 42 Cb 1.83 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2b88 h ALA 42 CO -0.76 0.64 -0.56 -0.97 0.00 0.00 0.00 179.25 177.60 2b88 h ASN 43 N 0.33 0.91 -0.55 0.00 -0.73 0.33 0.17 115.58 116.03 2b88 h ASN 43 Ca 0.02 -0.49 -0.05 0.00 1.87 0.00 0.00 56.30 57.65 2b88 h ASN 43 Cb 0.92 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 39.23 2b88 h ASN 43 CO 0.08 1.28 0.18 -0.07 -0.37 0.00 0.00 177.43 178.52 2b88 h LEU 44 N 0.62 0.84 -0.51 0.34 3.38 -0.06 1.13 115.31 121.05 2b88 h LEU 44 Ca 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2b88 h LEU 44 Cb 1.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2b88 h LEU 44 CO 0.12 0.79 0.28 -0.07 0.09 0.00 0.00 178.44 179.65 2b88 h LEU 45 N 0.87 0.63 -0.33 1.67 -0.00 -0.72 0.81 115.31 118.25 2b88 h LEU 45 Ca 0.20 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2b88 h LEU 45 Cb 0.27 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 2b88 h LEU 45 CO -0.01 0.54 0.20 0.00 -0.00 0.00 0.00 178.44 179.17 2b88 h ALA 46 N 1.12 0.42 -0.08 1.53 0.00 0.21 1.08 119.26 123.53 2b88 h ALA 46 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2b88 h ALA 46 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2b88 h ALA 46 CO -0.03 -0.08 -0.25 0.93 0.00 0.00 0.00 179.25 179.81 2b88 h GLU 47 N 0.42 0.15 -0.15 0.00 4.39 0.16 0.31 114.58 119.86 2b88 h GLU 47 Ca 0.12 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 2b88 h GLU 47 Cb 0.01 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2b88 h GLU 47 CO -0.02 0.40 -0.22 0.00 -1.16 0.00 0.00 179.01 178.00 2b88 h ALA 48 N 1.61 0.23 -0.54 3.43 0.00 0.21 0.18 119.26 124.38 2b88 h ALA 48 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2b88 h ALA 48 Cb 0.53 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2b88 h ALA 48 CO 0.04 0.19 0.27 0.87 0.00 0.00 0.00 179.25 180.62 2b88 h LYS 49 N 0.05 0.75 -0.51 0.00 1.79 0.17 0.77 116.57 119.59 2b88 h LYS 49 Ca 0.02 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 2b88 h LYS 49 Cb 0.79 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 2b88 h LYS 49 CO 0.05 0.57 0.14 -0.22 -1.08 0.00 0.00 179.45 178.91 2b88 h LYS 50 N 0.76 0.81 -0.13 3.15 3.64 -0.08 1.00 116.57 125.72 2b88 h LYS 50 Ca 0.19 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2b88 h LYS 50 Cb 0.06 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2b88 h LYS 50 CO -0.03 0.77 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.70 2b88 h LEU 51 N 0.71 0.36 -0.44 5.20 -0.00 0.63 -1.50 115.31 120.26 2b88 h LEU 51 Ca 0.16 -0.49 -0.00 0.00 -0.00 0.00 0.00 57.88 57.55 2b88 h LEU 51 Cb 0.31 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.85 2b88 h LEU 51 CO -0.00 0.78 0.27 -1.13 -0.00 0.00 0.00 178.44 178.36 2b88 h ASN 52 N -0.05 0.52 -0.67 -0.43 -1.24 0.67 0.28 115.58 114.67 2b88 h ASN 52 Ca 0.02 -0.05 0.01 0.00 0.71 0.00 0.00 56.30 56.98 2b88 h ASN 52 Cb 0.68 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.57 2b88 h ASN 52 CO 0.04 0.42 0.44 -0.78 -1.29 0.00 0.00 177.43 176.26 2b88 h ASP 53 N 0.58 0.77 0.10 1.15 3.58 0.11 1.24 116.42 123.94 2b88 h ASP 53 Ca 0.16 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 2b88 h ASP 53 Cb -0.01 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2b88 h ASP 53 CO -0.03 0.57 -0.24 0.00 -2.88 0.00 0.00 179.24 176.66 2b88 h ALA 54 N 1.24 1.33 -0.01 -0.78 0.00 -0.90 -1.77 119.26 118.37 2b88 h ALA 54 Ca 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2b88 h ALA 54 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2b88 h ALA 54 CO -0.05 0.46 -0.17 1.04 0.00 0.00 0.00 179.25 180.52 2b88 n GLN 55 N -4.17 1.14 -2.71 0.00 6.02 0.95 -4.90 117.38 113.72 2b88 n GLN 55 Ca -0.01 -0.68 -0.37 0.00 -0.01 0.00 0.00 57.00 55.93 2b88 n GLN 55 Cb 0.35 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 2b88 n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b88 s ALA 56 N -2.33 3.21 0.60 -1.58 0.00 0.41 -4.84 121.76 117.24 2b88 s ALA 56 Ca 0.29 0.59 -0.18 0.00 0.00 0.00 0.00 51.96 52.66 2b88 s ALA 56 Cb 0.20 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 2b88 s ALA 56 CO 0.46 0.08 0.75 -0.35 0.00 0.00 0.00 175.76 176.69 2b88 n PRO 57 N 0.56 0.66 0.00 0.00 -0.04 -1.26 -4.97 135.00 129.95 2b88 n PRO 57 Ca 0.02 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2b88 n PRO 57 Cb 0.49 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2b88 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09