#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b88 n ASP 2 N 0.00 1.29 -0.77 -1.34 8.00 -1.26 -3.88 116.55 118.60 2b88 n ASP 2 Ca 0.00 -2.05 0.02 0.00 0.71 0.00 0.00 54.79 53.47 2b88 n ASP 2 Cb 0.00 -0.22 0.10 0.00 -0.02 0.00 0.00 41.12 40.98 2b88 n ASP 2 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2b88 n ASN 3 N 0.09 1.99 -4.68 -2.24 4.13 -1.26 -4.93 115.26 108.36 2b88 n ASN 3 Ca 0.07 -2.19 -0.46 0.00 1.68 0.00 0.00 54.58 53.67 2b88 n ASN 3 Cb 0.23 -0.48 -0.04 0.00 -1.54 0.00 0.00 39.78 37.95 2b88 n ASN 3 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2b88 n LYS 4 N 0.14 2.26 0.05 3.52 5.02 -1.25 -4.85 118.16 123.05 2b88 n LYS 4 Ca 0.07 0.82 0.11 0.00 -2.02 0.00 0.00 58.31 57.29 2b88 n LYS 4 Cb 0.43 -2.63 0.44 0.00 -0.02 0.00 0.00 35.03 33.25 2b88 n LYS 4 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2b88 n PHE 5 N 4.67 0.35 -0.03 2.13 -1.74 -1.26 -3.31 117.46 118.28 2b88 n PHE 5 Ca 0.19 0.12 0.23 0.00 -0.56 0.00 0.00 57.45 57.43 2b88 n PHE 5 Cb 0.30 -0.70 0.72 0.00 1.52 0.00 0.00 39.48 41.32 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 -0.80 5.98 -0.26 -1.99 0.22 115.58 118.72 2b88 h ASN 6 Ca 0.00 0.00 0.07 0.00 -0.56 0.00 0.00 56.30 55.81 2b88 h ASN 6 Cb 0.41 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.62 2b88 h ASN 6 CO 0.00 0.00 0.52 0.11 -1.06 0.00 0.00 177.43 177.00 2b88 h LYS 7 N 0.00 0.82 -0.19 0.81 1.57 -1.96 -0.38 116.57 117.24 2b88 h LYS 7 Ca 0.29 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2b88 h LYS 7 Cb 1.23 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2b88 h LYS 7 CO -0.00 0.54 -0.11 1.49 -0.57 0.00 0.00 179.45 180.79 2b88 h GLU 8 N 0.84 0.30 -0.06 3.15 4.57 -1.22 0.40 114.58 122.57 2b88 h GLU 8 Ca 0.35 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.32 2b88 h GLU 8 Cb 0.28 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2b88 h GLU 8 CO -0.13 0.43 -0.58 -0.07 -1.18 0.00 0.00 179.01 177.48 2b88 h LEU 9 N 0.29 0.21 -0.50 1.64 4.07 -1.15 -1.95 115.31 117.91 2b88 h LEU 9 Ca 0.06 -0.12 -0.15 0.00 0.08 0.00 0.00 57.88 57.76 2b88 h LEU 9 Cb 0.39 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2b88 h LEU 9 CO 0.02 0.74 -0.70 1.23 -1.08 0.00 0.00 178.44 178.65 2b88 h GLY 10 N 1.51 0.00 0.86 0.83 0.00 -0.89 -2.28 103.07 103.10 2b88 h GLY 10 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2b88 h GLY 10 CO 0.09 0.00 -0.20 -0.25 0.00 0.00 0.00 176.54 176.17 2b88 h TRP 11 N 0.00 -0.53 -0.06 5.60 7.01 -0.42 -2.84 115.95 124.71 2b88 h TRP 11 Ca -0.01 -0.01 -0.14 0.00 2.11 0.00 0.00 58.89 60.85 2b88 h TRP 11 Cb 1.30 0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.52 2b88 h TRP 11 CO 0.00 -0.25 -0.57 0.00 -2.79 0.00 0.00 178.44 174.82 2b88 h ALA 12 N -0.21 0.93 -0.19 2.65 0.00 -1.42 -2.85 119.26 118.16 2b88 h ALA 12 Ca -0.06 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.35 2b88 h ALA 12 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2b88 h ALA 12 CO 0.10 0.71 0.07 1.15 0.00 0.00 0.00 179.25 181.27 2b88 h THR 13 N 0.14 0.96 -0.38 0.00 2.02 -1.36 0.20 112.91 114.49 2b88 h THR 13 Ca -0.00 -0.06 -0.16 0.00 0.77 0.00 0.00 66.41 66.96 2b88 h THR 13 Cb 1.05 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2b88 h THR 13 CO 0.09 0.03 -0.38 -0.25 0.37 0.00 0.00 175.52 175.38 2b88 h TRP 14 N 0.16 1.10 -0.30 3.16 7.01 -1.56 -0.17 115.95 125.34 2b88 h TRP 14 Ca 0.08 -0.33 0.03 0.00 2.11 0.00 0.00 58.89 60.79 2b88 h TRP 14 Cb 0.05 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 2b88 h TRP 14 CO -0.11 1.15 0.11 0.93 -2.79 0.00 0.00 178.44 177.73 2b88 h GLU 15 N 0.75 0.24 -0.36 2.65 4.39 -1.18 0.20 114.58 121.28 2b88 h GLU 15 Ca 0.06 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 2b88 h GLU 15 Cb 0.97 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 2b88 h GLU 15 CO 0.09 0.16 -0.09 0.82 -1.16 0.00 0.00 179.01 178.83 2b88 h ILE 16 N 0.25 1.28 0.00 3.13 2.04 -0.63 -2.33 117.51 121.25 2b88 h ILE 16 Ca 0.13 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2b88 h ILE 16 Cb 0.09 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2b88 h ILE 16 CO -0.13 0.38 0.00 -0.26 0.00 0.00 0.00 178.15 178.14 2b88 h PHE 17 N 0.48 0.00 -0.18 1.37 0.04 -0.54 -1.77 116.94 116.34 2b88 h PHE 17 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 2b88 h PHE 17 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 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 2.35 -4.68 2.17 5.03 0.66 -4.83 115.26 112.96 2b88 n ASN 18 Ca -0.02 -2.26 -0.39 0.00 0.87 0.00 0.00 54.58 52.78 2b88 n ASN 18 Cb 0.13 -0.52 -0.06 0.00 -1.02 0.00 0.00 39.78 38.31 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 -0.85 4.20 0.00 3.41 1.43 -0.67 -4.96 118.68 121.23 2b88 s LEU 19 Ca 0.17 0.81 0.16 0.00 -1.03 0.00 0.00 54.13 54.23 2b88 s LEU 19 Cb 0.12 -2.79 0.93 0.00 0.03 0.00 0.00 46.19 44.48 2b88 s LEU 19 CO 0.05 -0.15 1.35 -0.81 0.23 0.00 0.00 176.35 177.02 2b88 n PRO 20 N 4.43 0.56 0.00 1.29 -0.05 -1.26 -3.38 135.00 136.59 2b88 n PRO 20 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.41 2b88 n PRO 20 Cb 0.51 -1.43 0.00 0.00 -0.05 0.00 0.00 33.50 32.52 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 -0.93 0.26 -4.74 3.54 3.02 -1.26 -5.03 115.26 110.11 2b88 n ASN 21 Ca 0.12 -0.63 -0.30 0.00 -0.03 0.00 0.00 54.58 53.73 2b88 n ASN 21 Cb 0.05 0.26 0.12 0.00 -0.61 0.00 0.00 39.78 39.60 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 -0.51 2.65 0.14 3.41 1.43 -1.22 -4.75 118.68 119.83 2b88 s LEU 22 Ca 0.00 1.67 0.09 0.00 -1.03 0.00 0.00 54.13 54.86 2b88 s LEU 22 Cb 0.00 -4.23 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 2b88 s LEU 22 CO 0.00 -2.35 -0.17 0.20 0.23 0.00 0.00 176.35 174.26 2b88 s ASN 23 N -3.39 3.92 0.60 2.29 0.01 -1.26 -4.97 114.94 112.14 2b88 s ASN 23 Ca 0.62 -0.61 0.28 0.00 -0.71 0.00 0.00 52.86 52.45 2b88 s ASN 23 Cb -0.18 -0.55 1.42 0.00 0.41 0.00 0.00 41.25 42.36 2b88 s ASN 23 CO 0.57 0.15 1.83 1.23 -1.51 0.00 0.00 177.10 179.36 2b88 h GLY 24 N 3.44 0.00 0.39 0.66 0.00 -1.98 0.14 103.07 105.71 2b88 h GLY 24 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2b88 h GLY 24 CO 0.48 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.87 2b88 h VAL 25 N 0.00 1.53 -0.30 4.60 2.07 -1.98 -1.98 116.25 120.20 2b88 h VAL 25 Ca 0.20 -1.67 -0.07 0.00 0.82 0.00 0.00 66.70 65.98 2b88 h VAL 25 Cb 1.27 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 2b88 h VAL 25 CO -0.00 0.44 -0.08 1.56 0.02 0.00 0.00 177.57 179.51 2b88 h GLN 26 N -0.58 0.58 0.05 1.57 4.20 -1.24 -0.33 115.11 119.35 2b88 h GLN 26 Ca -0.01 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2b88 h GLN 26 Cb 0.77 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 2b88 h GLN 26 CO 0.02 0.78 -0.06 0.28 -0.67 0.00 0.00 178.83 179.17 2b88 h VAL 27 N 0.34 0.85 -0.80 -0.54 2.07 -1.01 -0.70 116.25 116.46 2b88 h VAL 27 Ca 0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.73 2b88 h VAL 27 Cb 0.57 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2b88 h VAL 27 CO 0.03 0.00 0.53 0.50 0.02 0.00 0.00 177.57 178.65 2b88 h LYS 28 N -0.14 0.54 -0.58 1.57 1.63 -1.28 1.51 116.57 119.84 2b88 h LYS 28 Ca 0.01 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 2b88 h LYS 28 Cb 0.14 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 2b88 h LYS 28 CO -0.03 0.36 0.21 0.00 -3.45 0.00 0.00 179.45 176.55 2b88 h ALA 29 N 1.62 0.75 -0.11 5.00 0.00 0.19 1.42 119.26 128.14 2b88 h ALA 29 Ca 0.39 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 2b88 h ALA 29 Cb 0.73 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2b88 h ALA 29 CO -0.15 0.38 -0.76 0.74 0.00 0.00 0.00 179.25 179.46 2b88 h PHE 30 N 0.80 0.78 -0.38 0.00 0.04 0.95 0.42 116.94 119.56 2b88 h PHE 30 Ca 0.19 -0.35 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 2b88 h PHE 30 Cb 0.23 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2b88 h PHE 30 CO 0.01 1.14 0.09 0.82 -0.60 0.00 0.00 178.31 179.77 2b88 h ILE 31 N 0.39 1.17 -0.36 -0.55 1.08 0.25 -0.60 117.51 118.89 2b88 h ILE 31 Ca -0.04 -0.62 -0.15 0.00 -0.39 0.00 0.00 64.86 63.66 2b88 h ILE 31 Cb 1.37 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 2b88 h ILE 31 CO 0.14 0.22 -0.34 0.44 -0.69 0.00 0.00 178.15 177.93 2b88 h ASP 32 N 0.54 0.92 -0.01 1.72 3.32 0.24 -2.82 116.42 120.33 2b88 h ASP 32 Ca 0.13 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 2b88 h ASP 32 Cb 0.21 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2b88 h ASP 32 CO -0.00 1.19 -0.04 0.28 -1.72 0.00 0.00 179.24 178.95 2b88 h SER 33 N 0.66 0.14 -0.37 6.45 0.02 -0.08 -1.92 113.55 118.45 2b88 h SER 33 Ca 0.06 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2b88 h SER 33 Cb 0.93 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 2b88 h SER 33 CO 0.09 0.21 0.19 -0.07 -1.14 0.00 0.00 176.83 176.10 2b88 h LEU 34 N 0.15 0.27 -0.61 5.07 -0.00 -0.87 0.35 115.31 119.67 2b88 h LEU 34 Ca 0.04 0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 57.84 2b88 h LEU 34 Cb 0.18 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.78 2b88 h LEU 34 CO 0.01 0.20 0.03 0.03 -0.00 0.00 0.00 178.44 178.70 2b88 h ARG 35 N 0.38 1.06 -0.02 1.13 3.08 -1.39 -0.26 114.38 118.36 2b88 h ARG 35 Ca 0.16 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 2b88 h ARG 35 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2b88 h ARG 35 CO -0.11 1.02 -0.22 -0.44 -1.07 0.00 0.00 179.97 179.15 2b88 h ASP 36 N 0.96 0.03 -0.70 7.04 3.32 -0.70 -3.41 116.42 122.97 2b88 h ASP 36 Ca 0.18 -0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.35 2b88 h ASP 36 Cb 0.53 -0.01 -0.21 0.00 0.22 0.00 0.00 39.33 39.86 2b88 h ASP 36 CO 0.03 0.26 -0.16 -0.62 -1.72 0.00 0.00 179.24 177.03 2b88 s ASP 37 N -6.97 -1.06 0.42 6.45 -1.08 0.12 -5.04 116.67 109.51 2b88 s ASP 37 Ca -0.04 0.38 0.23 0.00 -0.52 0.00 0.00 52.55 52.60 2b88 s ASP 37 Cb 0.15 1.78 0.79 0.00 -1.46 0.00 0.00 42.92 44.18 2b88 s ASP 37 CO 0.71 -0.20 1.77 -0.65 0.52 0.00 0.00 175.17 177.32 2b88 h PRO 38 N 7.86 0.00 0.00 4.34 0.11 -1.28 -2.94 132.00 140.09 2b88 h PRO 38 Ca -0.12 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 2b88 h PRO 38 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2b88 h PRO 38 CO 0.08 0.25 -0.02 0.66 -0.21 0.00 0.00 178.00 178.76 2b88 h SER 39 N 0.00 0.00 0.32 -2.05 4.64 -1.94 -2.68 113.55 111.83 2b88 h SER 39 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b88 h SER 39 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2b88 h SER 39 CO 0.03 0.02 -0.10 0.00 -0.87 0.00 0.00 176.83 175.91 2b88 n GLN 40 N -3.12 0.76 -0.31 4.77 1.13 -1.11 -4.38 117.38 115.12 2b88 n GLN 40 Ca 0.01 -0.27 0.26 0.00 -1.94 0.00 0.00 57.00 55.06 2b88 n GLN 40 Cb 0.35 -1.49 0.48 0.00 0.11 0.00 0.00 30.24 29.69 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 -0.89 0.21 0.04 1.08 3.41 -1.01 0.26 113.62 116.72 2b88 n SER 41 Ca 0.15 1.58 -0.06 0.00 -0.26 0.00 0.00 58.87 60.29 2b88 n SER 41 Cb 0.27 -0.72 0.13 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.89 0.90 -0.26 7.33 0.00 -1.86 -0.02 119.26 127.24 2b88 h ALA 42 Ca 0.74 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 2b88 h ALA 42 Cb 1.86 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 2b88 h ALA 42 CO -0.77 0.65 -0.55 -0.97 0.00 0.00 0.00 179.25 177.60 2b88 h ASN 43 N 0.33 0.89 -0.50 0.00 -0.73 0.33 0.23 115.58 116.13 2b88 h ASN 43 Ca 0.02 -0.48 -0.06 0.00 1.87 0.00 0.00 56.30 57.65 2b88 h ASN 43 Cb 0.95 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 39.26 2b88 h ASN 43 CO 0.08 1.26 0.12 -0.07 -0.37 0.00 0.00 177.43 178.45 2b88 h LEU 44 N 0.61 0.81 -0.55 0.34 3.38 0.05 1.20 115.31 121.15 2b88 h LEU 44 Ca 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2b88 h LEU 44 Cb 1.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2b88 h LEU 44 CO 0.12 0.80 0.28 -0.07 0.09 0.00 0.00 178.44 179.66 2b88 h LEU 45 N 0.83 0.71 -0.30 1.67 -0.00 -0.66 0.83 115.31 118.39 2b88 h LEU 45 Ca 0.18 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 2b88 h LEU 45 Cb 0.32 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2b88 h LEU 45 CO 0.00 0.63 0.16 0.00 -0.00 0.00 0.00 178.44 179.23 2b88 h ALA 46 N 1.11 0.38 -0.13 1.53 0.00 0.21 0.93 119.26 123.29 2b88 h ALA 46 Ca 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2b88 h ALA 46 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2b88 h ALA 46 CO -0.03 -0.09 -0.20 0.93 0.00 0.00 0.00 179.25 179.86 2b88 h GLU 47 N 0.36 0.22 -0.21 0.00 4.39 0.17 0.25 114.58 119.77 2b88 h GLU 47 Ca 0.10 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 2b88 h GLU 47 Cb 0.06 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2b88 h GLU 47 CO -0.02 0.43 -0.19 0.00 -1.16 0.00 0.00 179.01 178.07 2b88 h ALA 48 N 1.59 0.30 -0.74 3.43 0.00 0.20 0.40 119.26 124.43 2b88 h ALA 48 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2b88 h ALA 48 Cb 0.49 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2b88 h ALA 48 CO 0.03 0.23 0.42 0.87 0.00 0.00 0.00 179.25 180.80 2b88 h LYS 49 N 0.18 1.02 -0.49 0.00 1.79 0.15 0.86 116.57 120.08 2b88 h LYS 49 Ca 0.03 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 2b88 h LYS 49 Cb 0.73 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 2b88 h LYS 49 CO 0.05 0.74 0.16 -0.22 -1.08 0.00 0.00 179.45 179.10 2b88 h LYS 50 N 1.03 0.75 -0.26 3.15 3.64 -0.16 0.98 116.57 125.71 2b88 h LYS 50 Ca 0.26 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 2b88 h LYS 50 Cb 0.01 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2b88 h LYS 50 CO -0.04 0.70 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.41 2b88 h LEU 51 N 0.65 0.76 -0.39 5.20 -0.00 0.84 0.63 115.31 123.00 2b88 h LEU 51 Ca 0.16 -0.51 -0.01 0.00 -0.00 0.00 0.00 57.88 57.52 2b88 h LEU 51 Cb 0.25 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 2b88 h LEU 51 CO -0.01 1.12 0.21 -1.13 -0.00 0.00 0.00 178.44 178.63 2b88 h ASN 52 N 0.42 0.50 -0.88 -0.43 -1.24 0.92 0.61 115.58 115.47 2b88 h ASN 52 Ca 0.03 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 2b88 h ASN 52 Cb 0.95 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.83 2b88 h ASN 52 CO 0.08 0.45 0.53 0.44 -1.29 0.00 0.00 177.43 177.64 2b88 h ASP 53 N 0.50 1.07 0.04 1.15 3.32 0.11 1.05 116.42 123.67 2b88 h ASP 53 Ca 0.14 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2b88 h ASP 53 Cb 0.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2b88 h ASP 53 CO -0.02 0.83 -0.37 0.00 -1.72 0.00 0.00 179.24 177.95 2b88 h ALA 54 N 1.35 0.98 -0.01 3.45 0.00 -0.24 -2.40 119.26 122.39 2b88 h ALA 54 Ca 0.32 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2b88 h ALA 54 Cb -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2b88 h ALA 54 CO -0.06 0.61 -0.03 1.04 0.00 0.00 0.00 179.25 180.81 2b88 n GLN 55 N -4.05 1.58 -2.56 0.00 6.02 0.21 -4.90 117.38 113.68 2b88 n GLN 55 Ca -0.01 -0.92 -0.37 0.00 -0.01 0.00 0.00 57.00 55.69 2b88 n GLN 55 Cb 0.48 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 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 -2.06 3.12 0.82 -1.58 0.00 0.35 -4.84 121.76 117.57 2b88 s ALA 56 Ca 0.36 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.88 2b88 s ALA 56 Cb 0.21 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 20.07 2b88 s ALA 56 CO 0.36 -0.18 0.60 -0.35 0.00 0.00 0.00 175.76 176.19 2b88 n PRO 57 N 0.07 0.08 0.00 0.00 -0.04 -1.26 -4.99 135.00 128.86 2b88 n PRO 57 Ca 0.04 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2b88 n PRO 57 Cb 0.49 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2b88 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09