#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 6.54 -0.36 4.52 2.15 -1.26 -4.83 116.67 123.44 2b88 s ASP 2 Ca 0.00 0.29 0.12 0.00 0.43 0.00 0.00 52.55 53.39 2b88 s ASP 2 Cb 0.00 -2.41 0.41 0.00 -0.30 0.00 0.00 42.92 40.62 2b88 s ASP 2 CO 0.00 -0.83 1.43 -0.46 -0.17 0.00 0.00 175.17 175.14 2b88 n ASN 3 N 6.64 -1.33 -4.77 -0.34 0.23 -1.26 -5.14 115.26 109.29 2b88 n ASN 3 Ca 0.04 -2.32 -0.39 0.00 -0.53 0.00 0.00 54.58 51.39 2b88 n ASN 3 Cb 0.48 0.69 -0.01 0.00 -2.08 0.00 0.00 39.78 38.87 2b88 n ASN 3 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2b88 s LYS 4 N -0.22 3.92 0.51 -3.83 3.01 -1.26 -4.90 119.74 116.97 2b88 s LYS 4 Ca 0.16 2.01 0.23 0.00 -1.01 0.00 0.00 55.97 57.36 2b88 s LYS 4 Cb 0.42 -2.66 1.36 0.00 -1.01 0.00 0.00 37.83 35.95 2b88 s LYS 4 CO -0.10 -0.48 2.08 0.27 0.51 0.00 0.00 175.35 177.62 2b88 h PHE 5 N 2.52 0.00 -0.10 3.18 -0.00 -2.03 -1.86 116.94 118.65 2b88 h PHE 5 Ca -0.49 0.00 0.03 0.00 -0.00 0.00 0.00 57.97 57.50 2b88 h PHE 5 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.19 2b88 h PHE 5 CO 0.53 0.12 0.09 -0.91 -0.00 0.00 0.00 178.31 178.14 2b88 h ASN 6 N 0.00 0.00 -0.91 -0.68 4.21 -2.01 -2.14 115.58 114.05 2b88 h ASN 6 Ca -0.00 0.00 0.09 0.00 1.21 0.00 0.00 56.30 57.60 2b88 h ASN 6 Cb 0.27 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.40 2b88 h ASN 6 CO 0.02 0.00 0.58 0.11 -1.29 0.00 0.00 177.43 176.85 2b88 h LYS 7 N 0.00 0.90 -0.16 0.81 1.57 -1.71 -0.40 116.57 117.57 2b88 h LYS 7 Ca 0.05 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2b88 h LYS 7 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2b88 h LYS 7 CO -0.00 0.59 -0.28 0.93 -0.57 0.00 0.00 179.45 180.12 2b88 h GLU 8 N 0.92 0.30 -0.23 3.15 3.07 -1.58 -0.04 114.58 120.18 2b88 h GLU 8 Ca 0.42 -0.11 -0.14 0.00 -0.50 0.00 0.00 59.36 59.02 2b88 h GLU 8 Cb 0.38 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2b88 h GLU 8 CO -0.18 0.56 -0.46 -0.07 -1.40 0.00 0.00 179.01 177.47 2b88 h LEU 9 N 0.27 0.63 -0.51 1.33 4.07 -1.19 -1.02 115.31 118.89 2b88 h LEU 9 Ca 0.04 -0.30 -0.15 0.00 0.08 0.00 0.00 57.88 57.54 2b88 h LEU 9 Cb 0.64 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 2b88 h LEU 9 CO 0.05 1.00 -0.73 1.23 -1.08 0.00 0.00 178.44 178.90 2b88 h GLY 10 N 1.04 0.00 0.87 0.83 0.00 -1.08 -1.99 103.07 102.75 2b88 h GLY 10 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2b88 h GLY 10 CO 0.09 0.00 -0.12 -0.25 0.00 0.00 0.00 176.54 176.25 2b88 h TRP 11 N 0.00 -0.32 -0.04 5.60 7.01 -0.58 -2.36 115.95 125.26 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 1.31 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.47 2b88 h TRP 11 CO 0.00 -0.10 -0.42 0.00 -2.79 0.00 0.00 178.44 175.13 2b88 h ALA 12 N 0.22 1.24 -0.21 2.65 0.00 -1.20 -1.76 119.26 120.20 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 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2b88 h ALA 12 CO 0.06 0.55 0.12 1.15 0.00 0.00 0.00 179.25 181.13 2b88 h THR 13 N 0.07 1.02 -0.24 0.00 2.02 -1.16 0.13 112.91 114.75 2b88 h THR 13 Ca 0.00 -0.09 -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 0.05 -0.47 4.11 0.37 0.00 0.00 175.52 179.63 2b88 h TRP 14 N 0.25 0.78 -0.27 3.16 5.08 -1.33 0.60 115.95 124.21 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 -0.03 0.00 -3.00 0.00 0.00 29.16 25.97 2b88 h TRP 14 CO -0.08 0.99 0.11 0.93 -1.28 0.00 0.00 178.44 179.11 2b88 h GLU 15 N 0.51 0.24 -0.31 0.12 4.39 -0.74 0.34 114.58 119.13 2b88 h GLU 15 Ca 0.03 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2b88 h GLU 15 Cb 1.01 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2b88 h GLU 15 CO 0.09 0.16 -0.13 0.82 -1.16 0.00 0.00 179.01 178.79 2b88 h ILE 16 N 0.25 1.29 0.00 3.13 2.04 -0.73 -2.42 117.51 121.07 2b88 h ILE 16 Ca 0.12 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.75 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 0.39 0.00 -0.26 0.00 0.00 0.00 178.15 178.18 2b88 h PHE 17 N 0.41 0.00 -0.13 1.37 0.04 -0.41 -1.77 116.94 116.45 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 0.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.80 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 -2.83 1.06 -4.67 2.17 5.03 0.12 -4.79 115.26 111.34 2b88 n ASN 18 Ca -0.01 -2.05 -0.41 0.00 0.87 0.00 0.00 54.58 52.98 2b88 n ASN 18 Cb 0.15 -0.22 -0.05 0.00 -1.02 0.00 0.00 39.78 38.64 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 -0.86 4.18 0.00 3.41 1.43 -0.67 -4.95 118.68 121.22 2b88 s LEU 19 Ca 0.09 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 2b88 s LEU 19 Cb 0.06 -3.05 0.06 0.00 0.03 0.00 0.00 46.19 43.29 2b88 s LEU 19 CO 0.05 -0.31 0.81 -0.81 0.23 0.00 0.00 176.35 176.33 2b88 n PRO 20 N 4.98 0.77 0.00 1.29 -0.05 -1.26 -3.44 135.00 137.29 2b88 n PRO 20 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.46 2b88 n PRO 20 Cb 0.49 -1.02 0.00 0.00 -0.05 0.00 0.00 33.50 32.92 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 -0.52 1.16 -4.72 3.54 4.13 -1.26 -5.04 115.26 112.54 2b88 n ASN 21 Ca 0.01 -0.15 -0.31 0.00 1.68 0.00 0.00 54.58 55.81 2b88 n ASN 21 Cb 0.00 0.53 0.13 0.00 -1.54 0.00 0.00 39.78 38.90 2b88 n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2b88 s LEU 22 N -1.29 2.91 0.11 3.41 1.43 -1.22 -4.80 118.68 119.22 2b88 s LEU 22 Ca 0.00 1.97 0.09 0.00 -1.03 0.00 0.00 54.13 55.16 2b88 s LEU 22 Cb 0.00 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 2b88 s LEU 22 CO 0.00 -2.54 -0.19 0.21 0.23 0.00 0.00 176.35 174.06 2b88 s ASN 23 N -3.07 3.85 0.58 2.29 2.47 -1.26 -4.97 114.94 114.82 2b88 s ASN 23 Ca 0.64 -0.56 0.33 0.00 0.42 0.00 0.00 52.86 53.68 2b88 s ASN 23 Cb -0.20 -0.53 1.39 0.00 -1.45 0.00 0.00 41.25 40.46 2b88 s ASN 23 CO 0.57 0.18 1.69 1.23 -3.72 0.00 0.00 177.10 177.06 2b88 h GLY 24 N 3.80 0.00 0.55 1.21 0.00 -1.99 0.29 103.07 106.94 2b88 h GLY 24 Ca -0.50 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 2b88 h GLY 24 CO 0.46 0.00 -0.13 -2.08 0.00 0.00 0.00 176.54 174.79 2b88 h VAL 25 N 0.00 1.44 -0.27 4.60 2.07 -1.98 -1.90 116.25 120.21 2b88 h VAL 25 Ca 0.45 -1.49 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 2b88 h VAL 25 Cb 2.17 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 34.23 2b88 h VAL 25 CO -0.00 0.41 -0.16 1.56 0.02 0.00 0.00 177.57 179.40 2b88 h GLN 26 N -0.35 0.58 0.14 1.57 4.20 -0.90 -0.76 115.11 119.59 2b88 h GLN 26 Ca -0.00 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 2b88 h GLN 26 Cb 0.73 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2b88 h GLN 26 CO 0.03 0.84 -0.08 0.28 -0.67 0.00 0.00 178.83 179.23 2b88 h VAL 27 N 0.32 0.82 -0.76 -0.54 2.07 -1.16 -0.85 116.25 116.15 2b88 h VAL 27 Ca 0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.70 2b88 h VAL 27 Cb 0.68 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 2b88 h VAL 27 CO 0.04 0.00 0.50 0.11 0.02 0.00 0.00 177.57 178.24 2b88 h LYS 28 N -0.21 0.53 -0.63 1.57 1.79 -1.32 1.38 116.57 119.68 2b88 h LYS 28 Ca -0.01 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 2b88 h LYS 28 Cb 0.18 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 2b88 h LYS 28 CO 0.02 0.35 0.31 0.00 -1.08 0.00 0.00 179.45 179.05 2b88 h ALA 29 N 1.63 0.81 -0.11 3.86 0.00 -0.05 1.96 119.26 127.36 2b88 h ALA 29 Ca 0.36 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 2b88 h ALA 29 Cb 0.65 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2b88 h ALA 29 CO -0.13 0.36 -0.75 0.74 0.00 0.00 0.00 179.25 179.47 2b88 h PHE 30 N 0.86 0.77 -0.34 0.00 0.04 0.86 0.88 116.94 120.01 2b88 h PHE 30 Ca 0.22 -0.34 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 2b88 h PHE 30 Cb 0.10 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2b88 h PHE 30 CO -0.00 1.13 -0.02 0.82 -0.60 0.00 0.00 178.31 179.64 2b88 h ILE 31 N 0.39 1.20 -0.41 -0.55 1.08 0.24 -0.33 117.51 119.13 2b88 h ILE 31 Ca -0.04 -0.83 -0.15 0.00 -0.39 0.00 0.00 64.86 63.45 2b88 h ILE 31 Cb 1.35 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 36.06 2b88 h ILE 31 CO 0.14 0.28 -0.32 0.44 -0.69 0.00 0.00 178.15 178.00 2b88 h ASP 32 N 0.51 0.99 -0.19 1.72 3.32 0.35 -2.70 116.42 120.42 2b88 h ASP 32 Ca 0.11 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 2b88 h ASP 32 Cb 0.36 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2b88 h ASP 32 CO 0.01 1.22 0.05 0.28 -1.72 0.00 0.00 179.24 179.09 2b88 h SER 33 N 0.76 0.36 -0.26 6.45 0.02 -0.06 -1.33 113.55 119.49 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 0.91 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 2b88 h SER 33 CO 0.08 0.38 0.08 -0.07 -1.14 0.00 0.00 176.83 176.17 2b88 h LEU 34 N 0.39 0.09 -0.70 5.07 -0.00 -0.76 0.35 115.31 119.75 2b88 h LEU 34 Ca 0.09 0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 57.93 2b88 h LEU 34 Cb 0.19 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 2b88 h LEU 34 CO -0.00 0.08 0.17 0.03 -0.00 0.00 0.00 178.44 178.72 2b88 h ARG 35 N 0.20 1.11 -0.31 1.13 3.08 -1.31 0.11 114.38 118.40 2b88 h ARG 35 Ca 0.12 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 2b88 h ARG 35 Cb 0.09 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2b88 h ARG 35 CO -0.12 0.99 -0.02 0.22 -1.07 0.00 0.00 179.97 179.96 2b88 h ASP 36 N 1.05 0.45 -0.87 7.04 3.58 -0.56 -3.40 116.42 123.71 2b88 h ASP 36 Ca 0.22 -0.09 0.07 0.00 0.42 0.00 0.00 57.03 57.66 2b88 h ASP 36 Cb 0.37 -0.12 -0.21 0.00 1.72 0.00 0.00 39.33 41.10 2b88 h ASP 36 CO 0.00 0.54 -0.29 -0.62 -2.88 0.00 0.00 179.24 175.99 2b88 s ASP 37 N -6.76 -1.38 0.50 2.28 -1.08 0.12 -5.03 116.67 105.31 2b88 s ASP 37 Ca -0.07 0.28 0.29 0.00 -0.52 0.00 0.00 52.55 52.53 2b88 s ASP 37 Cb 0.15 1.93 1.08 0.00 -1.46 0.00 0.00 42.92 44.62 2b88 s ASP 37 CO 0.76 -0.25 1.88 -0.65 0.52 0.00 0.00 175.17 177.43 2b88 h PRO 38 N 7.89 0.00 0.00 4.34 0.11 -0.99 -2.77 132.00 140.58 2b88 h PRO 38 Ca -0.06 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 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 0.12 0.07 -0.07 0.77 -0.21 0.00 0.00 178.00 178.68 2b88 h SER 39 N 0.00 0.00 0.13 -2.05 0.02 -1.94 -2.67 113.55 107.04 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 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2b88 h SER 39 CO 0.01 0.07 -0.10 0.00 -1.14 0.00 0.00 176.83 175.67 2b88 n GLN 40 N -3.21 1.19 -0.31 3.45 1.13 -1.04 -4.47 117.38 114.10 2b88 n GLN 40 Ca 0.00 -0.61 0.29 0.00 -1.94 0.00 0.00 57.00 54.73 2b88 n GLN 40 Cb 0.33 -1.49 0.53 0.00 0.11 0.00 0.00 30.24 29.72 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 -0.37 0.27 0.02 1.08 3.41 -1.01 0.25 113.62 117.27 2b88 n SER 41 Ca 0.17 1.61 -0.05 0.00 -0.26 0.00 0.00 58.87 60.33 2b88 n SER 41 Cb 0.32 -0.76 0.15 0.00 -0.26 0.00 0.00 64.21 63.66 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 1.93 0.96 -0.26 7.33 0.00 -1.86 0.73 119.26 128.09 2b88 h ALA 42 Ca 0.79 -0.42 -0.18 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 19.72 2b88 h ALA 42 CO -0.77 0.62 -0.57 -0.97 0.00 0.00 0.00 179.25 177.56 2b88 h ASN 43 N 0.39 0.89 -0.49 0.00 -0.73 0.30 0.27 115.58 116.21 2b88 h ASN 43 Ca 0.04 -0.49 -0.06 0.00 1.87 0.00 0.00 56.30 57.66 2b88 h ASN 43 Cb 0.85 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 2b88 h ASN 43 CO 0.07 1.27 0.10 -0.07 -0.37 0.00 0.00 177.43 178.43 2b88 h LEU 44 N 0.61 0.81 -0.46 0.34 3.38 -0.18 1.13 115.31 120.94 2b88 h LEU 44 Ca 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 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 0.82 0.25 -0.07 0.09 0.00 0.00 178.44 179.65 2b88 h LEU 45 N 0.82 0.58 -0.27 1.67 -0.00 -0.54 0.81 115.31 118.38 2b88 h LEU 45 Ca 0.17 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 2b88 h LEU 45 Cb 0.35 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 2b88 h LEU 45 CO 0.00 0.51 0.17 0.00 -0.00 0.00 0.00 178.44 179.13 2b88 h ALA 46 N 1.09 0.35 -0.22 1.53 0.00 0.20 0.57 119.26 122.78 2b88 h ALA 46 Ca 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2b88 h ALA 46 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2b88 h ALA 46 CO -0.02 -0.16 -0.10 0.93 0.00 0.00 0.00 179.25 179.89 2b88 h GLU 47 N 0.36 0.36 -0.23 0.00 4.39 0.16 0.15 114.58 119.76 2b88 h GLU 47 Ca 0.10 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2b88 h GLU 47 Cb -0.01 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2b88 h GLU 47 CO -0.02 0.47 -0.01 0.00 -1.16 0.00 0.00 179.01 178.29 2b88 h ALA 48 N 1.56 0.31 -0.64 3.43 0.00 0.22 0.29 119.26 124.43 2b88 h ALA 48 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2b88 h ALA 48 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2b88 h ALA 48 CO 0.02 0.04 0.25 0.87 0.00 0.00 0.00 179.25 180.44 2b88 h LYS 49 N 0.17 0.94 -0.73 0.00 1.57 0.67 0.85 116.57 120.03 2b88 h LYS 49 Ca 0.06 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2b88 h LYS 49 Cb 0.42 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2b88 h LYS 49 CO 0.01 0.77 0.41 0.87 -0.57 0.00 0.00 179.45 180.94 2b88 h LYS 50 N 0.92 1.01 -0.22 3.15 1.57 -0.29 1.19 116.57 123.91 2b88 h LYS 50 Ca 0.22 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 2b88 h LYS 50 Cb 0.18 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2b88 h LYS 50 CO -0.02 0.75 -0.39 -0.07 -0.57 0.00 0.00 179.45 179.15 2b88 h LEU 51 N 1.01 0.72 -0.39 2.94 -0.00 0.88 0.09 115.31 120.55 2b88 h LEU 51 Ca 0.26 -0.54 -0.01 0.00 -0.00 0.00 0.00 57.88 57.59 2b88 h LEU 51 Cb 0.02 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.46 2b88 h LEU 51 CO -0.04 1.12 0.20 -0.55 -0.00 0.00 0.00 178.44 179.17 2b88 h ASN 52 N 0.35 0.51 -0.89 -0.43 -1.07 0.11 0.41 115.58 114.57 2b88 h ASN 52 Ca 0.01 -0.11 0.01 0.00 0.07 0.00 0.00 56.30 56.28 2b88 h ASN 52 Cb 0.99 -0.13 -0.04 0.00 -2.07 0.00 0.00 38.32 37.06 2b88 h ASN 52 CO 0.09 0.48 0.59 0.44 0.07 0.00 0.00 177.43 179.09 2b88 h ASP 53 N 0.50 1.02 0.11 6.14 3.32 0.15 0.77 116.42 128.42 2b88 h ASP 53 Ca 0.14 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2b88 h ASP 53 Cb 0.10 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2b88 h ASP 53 CO -0.02 0.74 -0.40 0.00 -1.72 0.00 0.00 179.24 177.85 2b88 h ALA 54 N 1.44 1.01 -0.14 3.45 0.00 -0.28 -2.48 119.26 122.26 2b88 h ALA 54 Ca 0.33 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2b88 h ALA 54 Cb -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2b88 h ALA 54 CO -0.07 0.61 0.00 1.04 0.00 0.00 0.00 179.25 180.83 2b88 n GLN 55 N -4.03 1.87 -2.13 0.00 6.02 0.14 -4.92 117.38 114.33 2b88 n GLN 55 Ca -0.01 -1.30 -0.29 0.00 -0.01 0.00 0.00 57.00 55.39 2b88 n GLN 55 Cb 0.49 -1.44 0.04 0.00 1.02 0.00 0.00 30.24 30.34 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 -1.82 3.10 0.77 -1.58 0.00 0.25 -4.85 121.76 117.62 2b88 s ALA 56 Ca 0.34 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 2b88 s ALA 56 Cb 0.19 -2.83 0.05 0.00 0.00 0.00 0.00 23.12 20.53 2b88 s ALA 56 CO 0.29 -0.95 1.09 -1.25 0.00 0.00 0.00 175.76 174.95 2b88 s PRO 57 N -5.17 2.33 0.00 0.00 0.05 -1.26 -5.00 135.00 125.95 2b88 s PRO 57 Ca 0.56 0.62 0.00 0.00 0.05 0.00 0.00 61.00 62.23 2b88 s PRO 57 Cb -0.11 -1.95 0.00 0.00 0.05 0.00 0.00 34.50 32.49 2b88 s PRO 57 CO 0.49 -1.44 0.00 1.63 0.05 0.00 0.00 177.00 177.72