#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 -0.13 0.36 4.52 2.15 -1.26 -5.15 116.67 117.17 2b88 s ASP 2 Ca 0.00 -0.64 -0.28 0.00 0.43 0.00 0.00 52.55 52.06 2b88 s ASP 2 Cb 0.00 0.51 -0.11 0.00 -0.30 0.00 0.00 42.92 43.02 2b88 s ASP 2 CO 0.00 -0.97 1.43 0.20 -0.17 0.00 0.00 175.17 175.66 2b88 s ASN 3 N -2.91 6.48 0.10 -0.34 0.01 -1.26 -4.97 114.94 112.06 2b88 s ASN 3 Ca 0.12 2.93 -0.27 0.00 -0.71 0.00 0.00 52.86 54.93 2b88 s ASN 3 Cb 0.01 -2.66 -0.06 0.00 0.41 0.00 0.00 41.25 38.95 2b88 s ASN 3 CO -0.02 -0.76 0.86 -0.54 -1.51 0.00 0.00 177.10 175.12 2b88 s LYS 4 N -1.97 4.62 0.27 -0.60 1.02 -1.26 -4.93 119.74 116.89 2b88 s LYS 4 Ca 0.52 1.27 0.24 0.00 0.02 0.00 0.00 55.97 58.02 2b88 s LYS 4 Cb -0.44 -3.35 1.00 0.00 -0.52 0.00 0.00 37.83 34.52 2b88 s LYS 4 CO 0.60 0.31 1.73 1.97 -0.92 0.00 0.00 175.35 179.04 2b88 n PHE 5 N 2.52 0.86 0.11 3.18 -1.74 -1.26 -2.83 117.46 118.31 2b88 n PHE 5 Ca -0.01 0.34 0.18 0.00 -0.56 0.00 0.00 57.45 57.40 2b88 n PHE 5 Cb 0.49 -1.05 0.74 0.00 1.52 0.00 0.00 39.48 41.19 2b88 n PHE 5 CO 0.00 0.00 0.00 -0.91 -0.56 0.00 0.00 176.76 175.29 2b88 h ASN 6 N 0.00 0.00 -0.83 5.98 -0.26 -2.01 -1.35 115.58 117.11 2b88 h ASN 6 Ca 0.00 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.82 2b88 h ASN 6 Cb 0.37 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.58 2b88 h ASN 6 CO 0.00 0.00 0.54 0.11 -1.06 0.00 0.00 177.43 177.02 2b88 h LYS 7 N 0.00 0.84 -0.16 0.81 1.57 -1.95 -0.18 116.57 117.51 2b88 h LYS 7 Ca 0.16 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2b88 h LYS 7 Cb 0.73 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2b88 h LYS 7 CO -0.00 0.55 -0.24 0.93 -0.57 0.00 0.00 179.45 180.12 2b88 h GLU 8 N 0.86 0.28 -0.10 3.15 3.07 -1.50 -0.26 114.58 120.09 2b88 h GLU 8 Ca 0.37 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.36 59.00 2b88 h GLU 8 Cb 0.32 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2b88 h GLU 8 CO -0.14 0.52 -0.55 -0.07 -1.40 0.00 0.00 179.01 177.36 2b88 h LEU 9 N 0.26 0.32 -0.56 1.33 4.07 -1.14 -2.15 115.31 117.45 2b88 h LEU 9 Ca 0.04 -0.17 -0.15 0.00 0.08 0.00 0.00 57.88 57.68 2b88 h LEU 9 Cb 0.57 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 2b88 h LEU 9 CO 0.04 0.81 -0.70 1.23 -1.08 0.00 0.00 178.44 178.75 2b88 h GLY 10 N 1.36 0.00 0.94 0.83 0.00 -0.84 -1.93 103.07 103.44 2b88 h GLY 10 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2b88 h GLY 10 CO 0.09 0.00 -0.13 -0.25 0.00 0.00 0.00 176.54 176.25 2b88 h TRP 11 N 0.00 -0.34 -0.03 5.60 7.01 -0.59 -2.00 115.95 125.59 2b88 h TRP 11 Ca -0.01 -0.01 -0.09 0.00 2.11 0.00 0.00 58.89 60.89 2b88 h TRP 11 Cb 1.26 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.42 2b88 h TRP 11 CO 0.00 -0.17 -0.42 0.00 -2.79 0.00 0.00 178.44 175.06 2b88 h ALA 12 N 0.28 1.25 -0.21 2.65 0.00 -1.39 -1.77 119.26 120.06 2b88 h ALA 12 Ca -0.04 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2b88 h ALA 12 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2b88 h ALA 12 CO 0.06 0.55 0.11 1.15 0.00 0.00 0.00 179.25 181.12 2b88 h THR 13 N 0.06 1.01 -0.24 0.00 2.02 -1.02 0.16 112.91 114.89 2b88 h THR 13 Ca 0.00 -0.08 -0.15 0.00 0.77 0.00 0.00 66.41 66.95 2b88 h THR 13 Cb 0.77 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2b88 h THR 13 CO 0.06 0.04 -0.48 4.11 0.37 0.00 0.00 175.52 179.62 2b88 h TRP 14 N 0.23 0.78 -0.26 3.16 5.08 -1.26 0.83 115.95 124.51 2b88 h TRP 14 Ca 0.08 -0.25 0.02 0.00 1.08 0.00 0.00 58.89 59.82 2b88 h TRP 14 Cb 0.01 -0.16 -0.02 0.00 -3.00 0.00 0.00 29.16 25.99 2b88 h TRP 14 CO -0.09 0.99 0.11 0.93 -1.28 0.00 0.00 178.44 179.10 2b88 h GLU 15 N 0.51 0.23 -0.32 0.12 5.08 -0.71 0.38 114.58 119.86 2b88 h GLU 15 Ca 0.03 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2b88 h GLU 15 Cb 1.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2b88 h GLU 15 CO 0.10 0.15 -0.15 0.82 -1.00 0.00 0.00 179.01 178.93 2b88 h ILE 16 N 0.24 1.29 0.00 3.13 2.04 -0.68 -2.42 117.51 121.11 2b88 h ILE 16 Ca 0.11 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.72 2b88 h ILE 16 Cb 0.06 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2b88 h ILE 16 CO -0.10 0.40 0.00 -0.26 0.00 0.00 0.00 178.15 178.20 2b88 h PHE 17 N 0.44 0.00 -0.16 1.37 0.04 -0.37 -1.67 116.94 116.59 2b88 h PHE 17 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2b88 h PHE 17 Cb 0.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.82 2b88 h PHE 17 CO 0.06 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.86 2b88 n ASN 18 N -3.07 1.85 -4.68 2.17 5.03 0.13 -4.81 115.26 111.87 2b88 n ASN 18 Ca -0.02 -2.17 -0.40 0.00 0.87 0.00 0.00 54.58 52.87 2b88 n ASN 18 Cb 0.16 -0.43 -0.06 0.00 -1.02 0.00 0.00 39.78 38.44 2b88 n ASN 18 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2b88 s LEU 19 N -0.78 4.20 0.00 3.41 1.43 -0.63 -4.96 118.68 121.36 2b88 s LEU 19 Ca 0.13 0.92 0.15 0.00 -1.03 0.00 0.00 54.13 54.30 2b88 s LEU 19 Cb 0.09 -2.91 0.90 0.00 0.03 0.00 0.00 46.19 44.30 2b88 s LEU 19 CO 0.05 -0.20 1.33 -0.81 0.23 0.00 0.00 176.35 176.95 2b88 n PRO 20 N 4.56 0.58 0.00 1.29 -0.05 -1.26 -3.39 135.00 136.72 2b88 n PRO 20 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.43 2b88 n PRO 20 Cb 0.50 -1.41 0.00 0.00 -0.05 0.00 0.00 33.50 32.55 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 -0.91 0.20 -4.73 3.54 3.02 -1.26 -5.04 115.26 110.09 2b88 n ASN 21 Ca 0.11 -0.54 -0.30 0.00 -0.03 0.00 0.00 54.58 53.82 2b88 n ASN 21 Cb 0.05 0.34 0.12 0.00 -0.61 0.00 0.00 39.78 39.69 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 -0.69 2.49 0.16 3.41 1.43 -1.22 -4.77 118.68 119.48 2b88 s LEU 22 Ca 0.00 1.59 0.09 0.00 -1.03 0.00 0.00 54.13 54.78 2b88 s LEU 22 Cb 0.00 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 2b88 s LEU 22 CO 0.00 -2.47 -0.16 0.20 0.23 0.00 0.00 176.35 174.15 2b88 s ASN 23 N -3.40 3.95 0.59 2.29 0.01 -1.26 -4.97 114.94 112.15 2b88 s ASN 23 Ca 0.63 -0.62 0.29 0.00 -0.71 0.00 0.00 52.86 52.45 2b88 s ASN 23 Cb -0.18 -0.56 1.42 0.00 0.41 0.00 0.00 41.25 42.34 2b88 s ASN 23 CO 0.57 0.14 1.82 1.23 -1.51 0.00 0.00 177.10 179.35 2b88 h GLY 24 N 3.31 0.00 0.41 0.66 0.00 -1.98 0.16 103.07 105.62 2b88 h GLY 24 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2b88 h GLY 24 CO 0.50 0.00 -0.09 -2.08 0.00 0.00 0.00 176.54 174.86 2b88 h VAL 25 N 0.00 1.52 -0.48 4.60 2.07 -1.97 -1.49 116.25 120.50 2b88 h VAL 25 Ca 0.28 -1.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 2b88 h VAL 25 Cb 1.48 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 33.82 2b88 h VAL 25 CO -0.00 0.45 0.00 1.56 0.02 0.00 0.00 177.57 179.59 2b88 h GLN 26 N -0.55 0.85 0.08 1.57 4.20 -1.21 0.83 115.11 120.88 2b88 h GLN 26 Ca -0.01 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 2b88 h GLN 26 Cb 0.78 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2b88 h GLN 26 CO 0.02 0.90 -0.04 0.28 -0.67 0.00 0.00 178.83 179.32 2b88 h VAL 27 N 0.71 1.00 -0.80 -0.54 2.07 -0.95 -1.61 116.25 116.12 2b88 h VAL 27 Ca 0.14 -0.25 0.14 0.00 0.82 0.00 0.00 66.70 67.55 2b88 h VAL 27 Cb 0.51 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2b88 h VAL 27 CO 0.02 0.06 0.53 0.50 0.02 0.00 0.00 177.57 178.71 2b88 h LYS 28 N -0.22 0.51 -0.53 1.57 1.63 -1.11 1.43 116.57 119.84 2b88 h LYS 28 Ca -0.01 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 2b88 h LYS 28 Cb 0.18 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 2b88 h LYS 28 CO 0.02 0.34 0.25 0.00 -3.45 0.00 0.00 179.45 176.60 2b88 h ALA 29 N 1.63 0.69 -0.11 5.00 0.00 -0.10 1.50 119.26 127.86 2b88 h ALA 29 Ca 0.40 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 2b88 h ALA 29 Cb 0.78 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2b88 h ALA 29 CO -0.15 0.26 -0.76 0.74 0.00 0.00 0.00 179.25 179.34 2b88 h PHE 30 N 0.72 0.78 -0.38 0.00 0.04 0.50 0.93 116.94 119.53 2b88 h PHE 30 Ca 0.18 -0.35 -0.04 0.00 2.80 0.00 0.00 57.97 60.57 2b88 h PHE 30 Cb 0.13 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2b88 h PHE 30 CO -0.00 1.14 0.08 0.82 -0.60 0.00 0.00 178.31 179.74 2b88 h ILE 31 N 0.39 1.18 -0.39 -0.55 1.08 0.23 -0.15 117.51 119.30 2b88 h ILE 31 Ca -0.04 -0.66 -0.16 0.00 -0.39 0.00 0.00 64.86 63.61 2b88 h ILE 31 Cb 1.36 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 2b88 h ILE 31 CO 0.14 0.24 -0.38 0.44 -0.69 0.00 0.00 178.15 177.90 2b88 h ASP 32 N 0.55 1.01 -0.10 1.72 3.32 0.25 -2.80 116.42 120.38 2b88 h ASP 32 Ca 0.13 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 2b88 h ASP 32 Cb 0.24 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2b88 h ASP 32 CO -0.00 1.26 -0.01 0.28 -1.72 0.00 0.00 179.24 179.05 2b88 h SER 33 N 0.78 0.27 -0.37 6.45 0.02 0.16 -2.26 113.55 118.59 2b88 h SER 33 Ca 0.07 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2b88 h SER 33 Cb 0.97 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 2b88 h SER 33 CO 0.09 0.33 0.17 -0.07 -1.14 0.00 0.00 176.83 176.21 2b88 h LEU 34 N 0.29 0.22 -0.80 5.07 -0.00 -0.79 0.15 115.31 119.45 2b88 h LEU 34 Ca 0.07 0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 57.92 2b88 h LEU 34 Cb 0.22 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.83 2b88 h LEU 34 CO 0.01 0.17 0.26 0.03 -0.00 0.00 0.00 178.44 178.90 2b88 h ARG 35 N 0.34 1.15 -0.06 1.13 3.08 -1.40 0.06 114.38 118.68 2b88 h ARG 35 Ca 0.16 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2b88 h ARG 35 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2b88 h ARG 35 CO -0.13 0.96 -0.21 0.22 -1.07 0.00 0.00 179.97 179.74 2b88 h ASP 36 N 1.11 0.10 -0.78 7.04 3.58 -0.80 -3.41 116.42 123.27 2b88 h ASP 36 Ca 0.25 -0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.78 2b88 h ASP 36 Cb 0.27 -0.03 -0.21 0.00 1.72 0.00 0.00 39.33 41.09 2b88 h ASP 36 CO -0.01 0.32 -0.21 -0.62 -2.88 0.00 0.00 179.24 175.84 2b88 s ASP 37 N -6.94 -1.19 0.45 2.28 -1.08 0.44 -5.04 116.67 105.60 2b88 s ASP 37 Ca -0.04 0.39 0.25 0.00 -0.52 0.00 0.00 52.55 52.62 2b88 s ASP 37 Cb 0.15 1.85 0.95 0.00 -1.46 0.00 0.00 42.92 44.42 2b88 s ASP 37 CO 0.72 -0.22 1.84 -0.65 0.52 0.00 0.00 175.17 177.38 2b88 h PRO 38 N 7.88 0.00 0.00 4.34 0.11 -1.24 -2.79 132.00 140.30 2b88 h PRO 38 Ca -0.11 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 2b88 h PRO 38 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2b88 h PRO 38 CO 0.11 0.21 -0.28 0.77 -0.21 0.00 0.00 178.00 178.59 2b88 h SER 39 N 0.00 0.00 0.56 -2.05 0.02 -1.95 -2.83 113.55 107.31 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 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2b88 h SER 39 CO 0.03 0.28 -0.01 0.00 -1.14 0.00 0.00 176.83 175.99 2b88 n GLN 40 N -3.53 0.44 -0.31 3.45 1.13 -1.05 -4.30 117.38 113.21 2b88 n GLN 40 Ca -0.00 -0.01 0.28 0.00 -1.94 0.00 0.00 57.00 55.33 2b88 n GLN 40 Cb 0.43 -1.50 0.53 0.00 0.11 0.00 0.00 30.24 29.81 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 -1.27 0.27 0.02 1.08 3.41 -1.07 0.25 113.62 116.31 2b88 n SER 41 Ca 0.14 1.60 -0.06 0.00 -0.26 0.00 0.00 58.87 60.30 2b88 n SER 41 Cb 0.24 -0.75 0.14 0.00 -0.26 0.00 0.00 64.21 63.58 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 1.92 0.94 -0.26 7.33 0.00 -1.87 0.78 119.26 128.11 2b88 h ALA 42 Ca 0.78 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 55.09 2b88 h ALA 42 Cb 2.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2b88 h ALA 42 CO -0.76 0.62 -0.57 -0.97 0.00 0.00 0.00 179.25 177.57 2b88 h ASN 43 N 0.40 0.92 -0.52 0.00 -0.73 0.31 0.20 115.58 116.17 2b88 h ASN 43 Ca 0.04 -0.50 -0.05 0.00 1.87 0.00 0.00 56.30 57.65 2b88 h ASN 43 Cb 0.85 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 39.15 2b88 h ASN 43 CO 0.07 1.29 0.13 -0.07 -0.37 0.00 0.00 177.43 178.48 2b88 h LEU 44 N 0.62 0.82 -0.53 0.34 3.38 -0.09 1.17 115.31 121.02 2b88 h LEU 44 Ca 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2b88 h LEU 44 Cb 1.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2b88 h LEU 44 CO 0.12 0.80 0.29 -0.07 0.09 0.00 0.00 178.44 179.68 2b88 h LEU 45 N 0.84 0.65 -0.29 1.67 -0.00 -0.53 0.83 115.31 118.48 2b88 h LEU 45 Ca 0.18 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2b88 h LEU 45 Cb 0.31 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2b88 h LEU 45 CO -0.00 0.55 0.16 0.00 -0.00 0.00 0.00 178.44 179.15 2b88 h ALA 46 N 1.13 0.37 -0.22 1.53 0.00 0.21 0.89 119.26 123.17 2b88 h ALA 46 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2b88 h ALA 46 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2b88 h ALA 46 CO -0.03 -0.10 -0.15 0.93 0.00 0.00 0.00 179.25 179.90 2b88 h GLU 47 N 0.35 0.37 -0.25 0.00 4.39 0.16 0.17 114.58 119.78 2b88 h GLU 47 Ca 0.10 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2b88 h GLU 47 Cb 0.06 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2b88 h GLU 47 CO -0.02 0.52 -0.11 0.00 -1.16 0.00 0.00 179.01 178.24 2b88 h ALA 48 N 1.50 0.34 -0.80 3.43 0.00 0.18 0.53 119.26 124.45 2b88 h ALA 48 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2b88 h ALA 48 Cb 0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2b88 h ALA 48 CO 0.03 0.20 0.48 0.87 0.00 0.00 0.00 179.25 180.82 2b88 h LYS 49 N 0.23 1.09 -0.48 0.00 1.79 0.14 0.81 116.57 120.16 2b88 h LYS 49 Ca 0.06 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 2b88 h LYS 49 Cb 0.61 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 2b88 h LYS 49 CO 0.03 0.77 -0.01 0.87 -1.08 0.00 0.00 179.45 180.03 2b88 h LYS 50 N 1.10 0.84 -0.29 3.15 1.57 -0.25 0.87 116.57 123.57 2b88 h LYS 50 Ca 0.29 -0.27 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2b88 h LYS 50 Cb -0.04 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2b88 h LYS 50 CO -0.05 0.89 -0.44 -0.07 -0.57 0.00 0.00 179.45 179.21 2b88 h LEU 51 N 0.70 0.89 -0.37 2.94 3.38 1.00 0.72 115.31 124.58 2b88 h LEU 51 Ca 0.13 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2b88 h LEU 51 Cb 0.52 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2b88 h LEU 51 CO 0.03 1.23 0.16 -1.13 0.09 0.00 0.00 178.44 178.82 2b88 h ASN 52 N 0.58 0.49 -0.97 -0.43 -1.24 0.77 0.48 115.58 115.27 2b88 h ASN 52 Ca 0.03 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.89 2b88 h ASN 52 Cb 1.04 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.91 2b88 h ASN 52 CO 0.10 0.51 0.61 0.44 -1.29 0.00 0.00 177.43 177.79 2b88 h ASP 53 N 0.45 1.14 0.15 1.15 3.32 0.88 0.92 116.42 124.43 2b88 h ASP 53 Ca 0.12 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 2b88 h ASP 53 Cb 0.16 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2b88 h ASP 53 CO -0.01 0.86 -0.35 0.00 -1.72 0.00 0.00 179.24 178.02 2b88 h ALA 54 N 1.33 1.16 -0.07 3.45 0.00 -0.36 -2.07 119.26 122.70 2b88 h ALA 54 Ca 0.35 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2b88 h ALA 54 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2b88 h ALA 54 CO -0.07 0.55 0.00 1.04 0.00 0.00 0.00 179.25 180.77 2b88 n GLN 55 N -4.08 1.76 -1.79 0.00 6.02 0.16 -4.92 117.38 114.54 2b88 n GLN 55 Ca -0.01 -1.12 -0.30 0.00 -0.01 0.00 0.00 57.00 55.56 2b88 n GLN 55 Cb 0.44 -1.46 0.05 0.00 1.02 0.00 0.00 30.24 30.30 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 -1.93 2.76 0.76 -1.58 0.00 0.30 -4.82 121.76 117.25 2b88 s ALA 56 Ca 0.36 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 2b88 s ALA 56 Cb 0.20 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 20.31 2b88 s ALA 56 CO 0.31 -1.24 1.09 -1.25 0.00 0.00 0.00 175.76 174.68 2b88 s PRO 57 N -5.28 2.42 0.00 0.00 0.05 -1.26 -5.01 135.00 125.92 2b88 s PRO 57 Ca 0.58 0.62 0.00 0.00 0.05 0.00 0.00 61.00 62.25 2b88 s PRO 57 Cb -0.12 -1.96 0.00 0.00 0.05 0.00 0.00 34.50 32.47 2b88 s PRO 57 CO 0.53 -1.38 0.00 1.63 0.05 0.00 0.00 177.00 177.83