#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 0.03 -0.02 4.52 8.00 -1.26 -4.91 116.55 122.91 2b88 n ASP 2 Ca 0.00 -1.08 0.21 0.00 0.71 0.00 0.00 54.79 54.64 2b88 n ASP 2 Cb 0.00 -0.13 0.70 0.00 -0.02 0.00 0.00 41.12 41.67 2b88 n ASP 2 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2b88 h ASN 3 N -0.22 0.00 -3.39 -2.24 -0.26 -2.08 -3.39 115.58 104.01 2b88 h ASN 3 Ca -0.06 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 55.10 2b88 h ASN 3 Cb 0.16 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.34 2b88 h ASN 3 CO 0.04 0.00 0.02 -0.54 -1.06 0.00 0.00 177.43 175.89 2b88 s LYS 4 N -5.00 4.28 0.06 0.81 1.02 -1.26 -4.94 119.74 114.71 2b88 s LYS 4 Ca -0.05 0.59 0.25 0.00 0.02 0.00 0.00 55.97 56.78 2b88 s LYS 4 Cb 0.20 -3.51 1.01 0.00 -0.52 0.00 0.00 37.83 35.00 2b88 s LYS 4 CO 0.73 -0.06 1.78 1.97 -0.92 0.00 0.00 175.35 178.85 2b88 n PHE 5 N 4.41 0.23 -0.04 3.18 -1.74 -1.26 -3.58 117.46 118.66 2b88 n PHE 5 Ca -0.03 0.07 0.21 0.00 -0.56 0.00 0.00 57.45 57.14 2b88 n PHE 5 Cb 0.51 -0.62 0.67 0.00 1.52 0.00 0.00 39.48 41.56 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 0.05 -0.65 5.98 -0.26 -1.93 -1.03 115.58 117.74 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 0.48 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.69 2b88 h ASN 6 CO 0.00 0.02 0.43 0.11 -1.06 0.00 0.00 177.43 176.93 2b88 h LYS 7 N 0.05 0.56 -0.24 0.81 1.57 -1.96 -0.45 116.57 116.91 2b88 h LYS 7 Ca 0.29 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 2b88 h LYS 7 Cb 1.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 2b88 h LYS 7 CO -0.02 0.37 -0.19 0.93 -0.57 0.00 0.00 179.45 179.97 2b88 h GLU 8 N 0.58 0.42 -0.17 3.15 3.07 -1.47 0.15 114.58 120.31 2b88 h GLU 8 Ca 0.29 -0.14 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 2b88 h GLU 8 Cb 0.39 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2b88 h GLU 8 CO -0.09 0.60 -0.50 -0.07 -1.40 0.00 0.00 179.01 177.55 2b88 h LEU 9 N 0.38 0.51 -0.50 1.33 4.07 -1.18 -1.74 115.31 118.18 2b88 h LEU 9 Ca 0.07 -0.26 -0.15 0.00 0.08 0.00 0.00 57.88 57.61 2b88 h LEU 9 Cb 0.56 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2b88 h LEU 9 CO 0.04 0.93 -0.73 1.23 -1.08 0.00 0.00 178.44 178.83 2b88 h GLY 10 N 1.14 0.00 0.97 0.83 0.00 -0.96 -1.99 103.07 103.06 2b88 h GLY 10 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2b88 h GLY 10 CO 0.09 0.00 -0.14 -0.25 0.00 0.00 0.00 176.54 176.24 2b88 h TRP 11 N 0.00 -0.36 -0.05 5.60 7.01 -0.25 -1.82 115.95 126.08 2b88 h TRP 11 Ca -0.01 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.88 2b88 h TRP 11 Cb 1.31 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.48 2b88 h TRP 11 CO 0.00 -0.20 -0.45 0.00 -2.79 0.00 0.00 178.44 175.00 2b88 h ALA 12 N 0.28 1.15 -0.21 2.65 0.00 -1.33 -1.95 119.26 119.85 2b88 h ALA 12 Ca -0.04 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.46 2b88 h ALA 12 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2b88 h ALA 12 CO 0.07 0.59 0.10 1.15 0.00 0.00 0.00 179.25 181.16 2b88 h THR 13 N 0.10 0.99 -0.26 0.00 2.02 -1.03 0.19 112.91 114.92 2b88 h THR 13 Ca 0.01 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 66.96 2b88 h THR 13 Cb 0.84 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2b88 h THR 13 CO 0.06 0.04 -0.46 4.11 0.37 0.00 0.00 175.52 179.64 2b88 h TRP 14 N 0.22 0.81 -0.25 3.16 5.08 -1.27 0.12 115.95 123.81 2b88 h TRP 14 Ca 0.08 -0.26 0.02 0.00 1.08 0.00 0.00 58.89 59.82 2b88 h TRP 14 Cb 0.02 -0.16 -0.02 0.00 -3.00 0.00 0.00 29.16 25.99 2b88 h TRP 14 CO -0.09 1.00 0.11 0.93 -1.28 0.00 0.00 178.44 179.11 2b88 h GLU 15 N 0.53 0.24 -0.31 0.12 4.39 -0.77 0.20 114.58 118.99 2b88 h GLU 15 Ca 0.03 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 2b88 h GLU 15 Cb 1.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2b88 h GLU 15 CO 0.09 0.16 -0.27 0.82 -1.16 0.00 0.00 179.01 178.65 2b88 h ILE 16 N 0.24 1.30 0.00 3.13 2.04 -0.62 -2.62 117.51 120.98 2b88 h ILE 16 Ca 0.11 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 2b88 h ILE 16 Cb 0.05 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2b88 h ILE 16 CO -0.09 0.46 -0.01 -0.26 0.00 0.00 0.00 178.15 178.25 2b88 h PHE 17 N 0.48 0.00 -0.11 1.37 0.04 -0.36 -1.56 116.94 116.80 2b88 h PHE 17 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2b88 h PHE 17 Cb 0.83 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.98 2b88 h PHE 17 CO 0.07 0.01 0.00 0.09 -0.60 0.00 0.00 178.31 177.88 2b88 n ASN 18 N -3.16 1.35 -4.66 2.17 5.03 0.69 -4.79 115.26 111.87 2b88 n ASN 18 Ca -0.02 -2.09 -0.40 0.00 0.87 0.00 0.00 54.58 52.94 2b88 n ASN 18 Cb 0.16 -0.35 -0.06 0.00 -1.02 0.00 0.00 39.78 38.51 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 -0.69 4.16 0.00 3.41 1.43 -0.59 -4.96 118.68 121.44 2b88 s LEU 19 Ca 0.09 0.85 0.13 0.00 -1.03 0.00 0.00 54.13 54.18 2b88 s LEU 19 Cb 0.06 -2.90 0.79 0.00 0.03 0.00 0.00 46.19 44.17 2b88 s LEU 19 CO 0.04 -0.26 1.25 -0.81 0.23 0.00 0.00 176.35 176.80 2b88 n PRO 20 N 4.94 0.61 0.00 1.29 -0.05 -1.26 -3.36 135.00 137.17 2b88 n PRO 20 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.44 2b88 n PRO 20 Cb 0.50 -1.34 0.00 0.00 -0.05 0.00 0.00 33.50 32.61 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 -0.84 0.06 -4.73 3.54 3.02 -1.26 -5.03 115.26 110.02 2b88 n ASN 21 Ca 0.10 -0.39 -0.30 0.00 -0.03 0.00 0.00 54.58 53.95 2b88 n ASN 21 Cb 0.05 0.59 0.12 0.00 -0.61 0.00 0.00 39.78 39.92 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 -1.17 2.50 0.19 3.41 1.43 -1.21 -4.77 118.68 119.05 2b88 s LEU 22 Ca 0.00 1.59 0.08 0.00 -1.03 0.00 0.00 54.13 54.77 2b88 s LEU 22 Cb 0.00 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 2b88 s LEU 22 CO 0.00 -2.45 -0.15 0.54 0.23 0.00 0.00 176.35 174.52 2b88 s ASN 23 N -3.41 2.51 0.58 2.29 2.20 -1.26 -4.98 114.94 112.86 2b88 s ASN 23 Ca 0.63 -0.97 0.32 0.00 -0.94 0.00 0.00 52.86 51.89 2b88 s ASN 23 Cb -0.18 -0.13 1.39 0.00 -2.00 0.00 0.00 41.25 40.34 2b88 s ASN 23 CO 0.57 -0.15 1.72 1.23 -2.94 0.00 0.00 177.10 177.53 2b88 h GLY 24 N 2.77 0.00 0.43 0.45 0.00 -1.99 0.00 103.07 104.74 2b88 h GLY 24 Ca -0.39 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2b88 h GLY 24 CO 0.59 0.00 -0.10 -2.08 0.00 0.00 0.00 176.54 174.95 2b88 h VAL 25 N 0.00 1.51 -0.23 4.60 2.07 -1.98 -2.61 116.25 119.61 2b88 h VAL 25 Ca 0.41 -1.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 2b88 h VAL 25 Cb 2.01 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 34.33 2b88 h VAL 25 CO -0.00 0.44 -0.18 1.56 0.02 0.00 0.00 177.57 179.41 2b88 h GLN 26 N -0.52 0.52 0.06 1.57 4.20 -1.46 -1.76 115.11 117.72 2b88 h GLN 26 Ca -0.01 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 2b88 h GLN 26 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2b88 h GLN 26 CO 0.02 0.83 -0.03 0.28 -0.67 0.00 0.00 178.83 179.26 2b88 h VAL 27 N 0.22 0.93 -0.62 -0.54 2.07 -1.29 -1.01 116.25 116.01 2b88 h VAL 27 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.64 2b88 h VAL 27 Cb 0.71 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2b88 h VAL 27 CO 0.05 0.00 0.41 0.11 0.02 0.00 0.00 177.57 178.16 2b88 h LYS 28 N -0.09 0.51 -0.71 1.57 1.57 -1.49 0.13 116.57 118.06 2b88 h LYS 28 Ca -0.01 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2b88 h LYS 28 Cb 0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2b88 h LYS 28 CO 0.01 0.34 0.17 0.00 -0.57 0.00 0.00 179.45 179.40 2b88 h ALA 29 N 1.68 0.95 -0.16 3.86 0.00 -0.35 1.70 119.26 126.94 2b88 h ALA 29 Ca 0.28 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2b88 h ALA 29 Cb 0.40 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2b88 h ALA 29 CO -0.08 0.67 -0.56 0.74 0.00 0.00 0.00 179.25 180.02 2b88 h PHE 30 N 1.08 0.87 -0.21 0.00 0.04 0.16 -2.27 116.94 116.61 2b88 h PHE 30 Ca 0.22 -0.36 -0.10 0.00 2.80 0.00 0.00 57.97 60.54 2b88 h PHE 30 Cb 0.38 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2b88 h PHE 30 CO 0.03 1.16 -0.30 0.82 -0.60 0.00 0.00 178.31 179.42 2b88 h ILE 31 N 0.33 1.27 -0.34 -0.55 2.04 -0.61 -1.27 117.51 118.38 2b88 h ILE 31 Ca -0.03 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.51 2b88 h ILE 31 Cb 1.19 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 2b88 h ILE 31 CO 0.12 0.41 0.22 -0.78 0.00 0.00 0.00 178.15 178.12 2b88 h ASP 32 N 0.36 0.40 1.04 1.72 3.58 0.27 0.13 116.42 123.92 2b88 h ASP 32 Ca 0.05 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 2b88 h ASP 32 Cb 0.70 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2b88 h ASP 32 CO 0.05 0.30 -0.60 -1.28 -2.88 0.00 0.00 179.24 174.83 2b88 h SER 33 N 0.47 0.00 0.21 2.28 0.87 -0.72 -2.90 113.55 113.76 2b88 h SER 33 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2b88 h SER 33 Cb -0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2b88 h SER 33 CO -0.03 0.60 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.62 2b88 h LEU 34 N 0.00 -0.50 -1.04 2.23 -0.00 0.34 0.53 115.31 116.88 2b88 h LEU 34 Ca -0.01 0.04 -0.07 0.00 -0.00 0.00 0.00 57.88 57.85 2b88 h LEU 34 Cb 1.28 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 42.09 2b88 h LEU 34 CO 0.08 -0.29 -0.08 0.08 -0.00 0.00 0.00 178.44 178.23 2b88 h ARG 35 N -0.42 0.60 -0.30 1.13 0.11 -1.56 0.29 114.38 114.23 2b88 h ARG 35 Ca -0.00 -0.17 -0.08 0.00 0.10 0.00 0.00 59.98 59.83 2b88 h ARG 35 Cb 0.39 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 2b88 h ARG 35 CO -0.03 0.68 -0.14 0.22 0.10 0.00 0.00 179.97 180.80 2b88 h ASP 36 N 0.56 0.51 -0.84 0.08 3.58 -1.21 -3.41 116.42 115.68 2b88 h ASP 36 Ca 0.11 -0.14 0.07 0.00 0.42 0.00 0.00 57.03 57.49 2b88 h ASP 36 Cb 0.47 -0.14 -0.21 0.00 1.72 0.00 0.00 39.33 41.18 2b88 h ASP 36 CO 0.03 0.68 -0.30 -0.62 -2.88 0.00 0.00 179.24 176.14 2b88 s ASP 37 N -6.77 -1.37 0.52 2.28 -1.08 0.18 -5.03 116.67 105.39 2b88 s ASP 37 Ca -0.07 0.17 0.31 0.00 -0.52 0.00 0.00 52.55 52.43 2b88 s ASP 37 Cb 0.14 1.87 1.18 0.00 -1.46 0.00 0.00 42.92 44.66 2b88 s ASP 37 CO 0.78 -0.25 1.92 -0.65 0.52 0.00 0.00 175.17 177.49 2b88 h PRO 38 N 7.84 0.00 0.00 4.34 0.11 -0.64 -2.75 132.00 140.90 2b88 h PRO 38 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2b88 h PRO 38 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2b88 h PRO 38 CO 0.10 0.05 -0.10 0.77 -0.21 0.00 0.00 178.00 178.61 2b88 h SER 39 N 0.00 0.00 0.21 -2.05 0.02 -1.93 -1.88 113.55 107.93 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 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2b88 h SER 39 CO 0.01 0.10 -0.12 0.00 -1.14 0.00 0.00 176.83 175.68 2b88 n GLN 40 N -3.46 0.97 -0.31 3.45 1.13 -1.04 -4.44 117.38 113.68 2b88 n GLN 40 Ca -0.01 -0.45 0.26 0.00 -1.94 0.00 0.00 57.00 54.86 2b88 n GLN 40 Cb 0.25 -1.49 0.48 0.00 0.11 0.00 0.00 30.24 29.60 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 -0.63 0.21 0.06 1.08 3.41 -0.71 0.25 113.62 117.30 2b88 n SER 41 Ca 0.16 1.59 -0.05 0.00 -0.26 0.00 0.00 58.87 60.30 2b88 n SER 41 Cb 0.30 -0.72 0.15 0.00 -0.26 0.00 0.00 64.21 63.68 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 1.90 0.93 -0.27 7.33 0.00 -1.84 -0.42 119.26 126.89 2b88 h ALA 42 Ca 0.75 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 2b88 h ALA 42 Cb 1.88 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 2b88 h ALA 42 CO -0.77 0.65 -0.55 -0.97 0.00 0.00 0.00 179.25 177.61 2b88 h ASN 43 N 0.28 0.92 -0.49 0.00 -0.73 0.31 0.31 115.58 116.17 2b88 h ASN 43 Ca 0.02 -0.49 -0.06 0.00 1.87 0.00 0.00 56.30 57.64 2b88 h ASN 43 Cb 0.95 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 2b88 h ASN 43 CO 0.08 1.28 0.12 -0.07 -0.37 0.00 0.00 177.43 178.47 2b88 h LEU 44 N 0.63 0.80 -0.47 0.34 3.38 -0.24 1.23 115.31 120.97 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 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2b88 h LEU 44 CO 0.12 0.79 0.21 -0.07 0.09 0.00 0.00 178.44 179.58 2b88 h LEU 45 N 0.82 0.63 -0.31 1.67 -0.00 -0.74 0.75 115.31 118.12 2b88 h LEU 45 Ca 0.18 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2b88 h LEU 45 Cb 0.32 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 2b88 h LEU 45 CO 0.00 0.60 0.18 0.00 -0.00 0.00 0.00 178.44 179.22 2b88 h ALA 46 N 1.05 0.40 -0.12 1.53 0.00 0.22 0.89 119.26 123.22 2b88 h ALA 46 Ca 0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2b88 h ALA 46 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2b88 h ALA 46 CO -0.02 -0.09 -0.25 0.93 0.00 0.00 0.00 179.25 179.82 2b88 h GLU 47 N 0.39 0.21 -0.20 0.00 4.39 0.17 0.18 114.58 119.72 2b88 h GLU 47 Ca 0.11 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 2b88 h GLU 47 Cb 0.03 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2b88 h GLU 47 CO -0.02 0.45 -0.19 0.00 -1.16 0.00 0.00 179.01 178.09 2b88 h ALA 48 N 1.56 0.29 -0.74 3.43 0.00 0.18 0.44 119.26 124.42 2b88 h ALA 48 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2b88 h ALA 48 Cb 0.54 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2b88 h ALA 48 CO 0.04 0.21 0.41 0.87 0.00 0.00 0.00 179.25 180.78 2b88 h LYS 49 N 0.14 1.02 -0.47 0.00 1.79 0.13 0.90 116.57 120.07 2b88 h LYS 49 Ca 0.03 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 2b88 h LYS 49 Cb 0.73 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 2b88 h LYS 49 CO 0.05 0.74 0.14 -0.22 -1.08 0.00 0.00 179.45 179.07 2b88 h LYS 50 N 1.03 0.74 -0.24 3.15 3.64 -0.31 0.77 116.57 125.34 2b88 h LYS 50 Ca 0.26 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 2b88 h LYS 50 Cb 0.01 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2b88 h LYS 50 CO -0.04 0.71 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.44 2b88 h LEU 51 N 0.63 0.71 -0.44 5.20 -0.00 0.93 0.68 115.31 123.02 2b88 h LEU 51 Ca 0.15 -0.51 -0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2b88 h LEU 51 Cb 0.29 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 2b88 h LEU 51 CO -0.00 1.08 0.27 -1.13 -0.00 0.00 0.00 178.44 178.65 2b88 h ASN 52 N 0.37 0.53 -0.88 -0.43 -1.24 0.96 0.70 115.58 115.59 2b88 h ASN 52 Ca 0.03 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 2b88 h ASN 52 Cb 0.91 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.79 2b88 h ASN 52 CO 0.08 0.43 0.53 0.44 -1.29 0.00 0.00 177.43 177.61 2b88 h ASP 53 N 0.58 1.06 0.13 1.15 3.32 0.66 0.84 116.42 124.16 2b88 h ASP 53 Ca 0.16 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 2b88 h ASP 53 Cb -0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2b88 h ASP 53 CO -0.03 0.82 -0.41 0.00 -1.72 0.00 0.00 179.24 177.90 2b88 h ALA 54 N 1.37 1.00 -0.16 3.45 0.00 -0.03 -2.46 119.26 122.43 2b88 h ALA 54 Ca 0.32 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2b88 h ALA 54 Cb -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2b88 h ALA 54 CO -0.06 0.61 0.00 1.04 0.00 0.00 0.00 179.25 180.85 2b88 n GLN 55 N -4.02 1.87 -1.65 0.00 6.02 0.24 -4.93 117.38 114.91 2b88 n GLN 55 Ca -0.02 -1.30 -0.30 0.00 -0.01 0.00 0.00 57.00 55.37 2b88 n GLN 55 Cb 0.49 -1.43 0.07 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.81 2.53 0.77 -1.58 0.00 0.28 -4.82 121.76 117.13 2b88 s ALA 56 Ca 0.34 -0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 2b88 s ALA 56 Cb 0.19 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.26 2b88 s ALA 56 CO 0.29 -1.43 1.09 -1.25 0.00 0.00 0.00 175.76 174.46 2b88 s PRO 57 N -5.18 2.31 0.00 0.00 0.05 -1.26 -5.01 135.00 125.91 2b88 s PRO 57 Ca 0.59 0.64 0.00 0.00 0.05 0.00 0.00 61.00 62.28 2b88 s PRO 57 Cb -0.13 -1.94 0.00 0.00 0.05 0.00 0.00 34.50 32.47 2b88 s PRO 57 CO 0.54 -1.46 0.00 1.63 0.05 0.00 0.00 177.00 177.76