#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b87 h ASP 2 N 0.00 0.81 -5.43 6.55 3.58 -2.08 -3.47 116.42 116.37 2b87 h ASP 2 Ca 0.00 -0.21 -0.28 0.00 0.42 0.00 0.00 57.03 56.97 2b87 h ASP 2 Cb 0.00 -0.21 0.18 0.00 1.72 0.00 0.00 39.33 41.01 2b87 h ASP 2 CO 0.00 0.88 -0.78 0.59 -2.88 0.00 0.00 179.24 177.04 2b87 n ASN 3 N -4.20 -4.28 -0.29 2.28 5.03 -1.26 -4.66 115.26 107.88 2b87 n ASN 3 Ca 0.02 -0.64 0.05 0.00 0.87 0.00 0.00 54.58 54.89 2b87 n ASN 3 Cb 0.32 -5.00 0.20 0.00 -1.02 0.00 0.00 39.78 34.28 2b87 n ASN 3 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2b87 h LYS 4 N -1.43 0.66 -0.72 3.52 3.64 -1.97 0.66 116.57 120.92 2b87 h LYS 4 Ca -0.58 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 58.70 2b87 h LYS 4 Cb 1.31 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2b87 h LYS 4 CO 0.45 0.43 0.22 0.27 -2.27 0.00 0.00 179.45 178.56 2b87 h PHE 5 N 0.68 1.17 -0.29 1.91 -0.00 -1.95 0.78 116.94 119.25 2b87 h PHE 5 Ca 0.44 -0.12 -0.06 0.00 -0.00 0.00 0.00 57.97 58.22 2b87 h PHE 5 Cb 0.54 -0.34 -0.01 0.00 -0.00 0.00 0.00 35.95 36.15 2b87 h PHE 5 CO -0.08 0.93 -0.06 -0.97 -0.00 0.00 0.00 178.31 178.13 2b87 h ASN 6 N 1.08 0.55 -0.63 -0.68 -1.24 -1.51 1.50 115.58 114.64 2b87 h ASN 6 Ca 0.23 -0.36 0.01 0.00 0.71 0.00 0.00 56.30 56.90 2b87 h ASN 6 Cb 0.31 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 2b87 h ASN 6 CO -0.01 0.78 0.41 0.50 -1.29 0.00 0.00 177.43 177.83 2b87 h LYS 7 N 0.32 0.81 -0.14 6.67 3.64 0.60 0.21 116.57 128.68 2b87 h LYS 7 Ca 0.07 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.20 2b87 h LYS 7 Cb 0.54 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2b87 h LYS 7 CO 0.03 0.53 -0.74 1.49 -2.27 0.00 0.00 179.45 178.50 2b87 h GLU 8 N 0.83 0.67 -0.94 1.90 4.81 0.83 0.29 114.58 122.98 2b87 h GLU 8 Ca 0.24 -0.53 0.04 0.00 -0.13 0.00 0.00 59.36 58.98 2b87 h GLU 8 Cb -0.06 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 2b87 h GLU 8 CO -0.07 1.15 0.62 1.25 -0.73 0.00 0.00 179.01 181.23 2b87 h LEU 9 N 0.47 1.01 -0.03 1.64 5.85 0.27 1.16 115.31 125.68 2b87 h LEU 9 Ca -0.04 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.49 2b87 h LEU 9 Cb 1.34 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 42.16 2b87 h LEU 9 CO 0.14 0.69 -0.71 1.23 -0.34 0.00 0.00 178.44 179.45 2b87 h GLY 10 N 1.17 0.61 0.51 3.75 0.00 -0.45 -2.98 103.07 105.68 2b87 h GLY 10 Ca 0.38 -0.99 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 2b87 h GLY 10 CO -0.12 0.88 -0.02 -0.25 0.00 0.00 0.00 176.54 177.03 2b87 h TRP 11 N 0.13 -0.06 -0.71 5.60 -0.00 0.89 -1.55 115.95 120.24 2b87 h TRP 11 Ca -0.08 -0.00 0.06 0.00 -0.00 0.00 0.00 58.89 58.87 2b87 h TRP 11 Cb 1.39 0.02 -0.04 0.00 -0.00 0.00 0.00 29.16 30.53 2b87 h TRP 11 CO 0.12 0.41 0.47 0.00 -0.00 0.00 0.00 178.44 179.44 2b87 h ALA 12 N 0.36 1.70 -0.46 2.65 0.00 0.12 0.61 119.26 124.23 2b87 h ALA 12 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2b87 h ALA 12 Cb 0.49 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2b87 h ALA 12 CO 0.01 0.19 0.18 1.15 0.00 0.00 0.00 179.25 180.78 2b87 h THR 13 N 0.75 0.88 -0.26 0.00 2.02 -1.41 0.24 112.91 115.12 2b87 h THR 13 Ca 0.31 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 2b87 h THR 13 Cb 0.24 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2b87 h THR 13 CO -0.10 0.07 0.01 -0.25 0.37 0.00 0.00 175.52 175.62 2b87 h TRP 14 N 0.37 0.49 -0.72 3.16 2.91 0.37 0.17 115.95 122.70 2b87 h TRP 14 Ca 0.22 -0.08 0.00 0.00 1.13 0.00 0.00 58.89 60.16 2b87 h TRP 14 Cb 0.20 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.68 2b87 h TRP 14 CO -0.14 0.60 0.46 0.93 -1.03 0.00 0.00 178.44 179.26 2b87 h GLU 15 N 0.24 0.95 -0.27 2.65 5.08 0.62 0.94 114.58 124.79 2b87 h GLU 15 Ca 0.07 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 2b87 h GLU 15 Cb 0.40 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2b87 h GLU 15 CO 0.01 0.64 -0.49 0.82 -1.00 0.00 0.00 179.01 178.99 2b87 h ILE 16 N 0.98 1.29 -0.45 3.13 2.04 -0.38 -2.44 117.51 121.68 2b87 h ILE 16 Ca 0.26 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.39 2b87 h ILE 16 Cb -0.09 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2b87 h ILE 16 CO -0.05 0.54 0.09 0.15 0.00 0.00 0.00 178.15 178.89 2b87 h PHE 17 N 0.59 0.69 -0.20 1.37 3.57 0.14 -2.40 116.94 120.70 2b87 h PHE 17 Ca 0.03 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2b87 h PHE 17 Cb 1.07 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2b87 h PHE 17 CO 0.06 0.60 0.00 0.09 -2.23 0.00 0.00 178.31 176.82 2b87 n ASN 18 N -4.30 1.72 -4.75 0.41 5.03 0.30 -4.92 115.26 108.75 2b87 n ASN 18 Ca 0.03 -1.75 -0.41 0.00 0.87 0.00 0.00 54.58 53.32 2b87 n ASN 18 Cb 0.21 -0.13 -0.03 0.00 -1.02 0.00 0.00 39.78 38.82 2b87 n ASN 18 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2b87 s LEU 19 N -1.48 4.45 -0.03 3.41 1.43 -0.91 -4.92 118.68 120.63 2b87 s LEU 19 Ca 0.31 2.46 0.05 0.00 -1.03 0.00 0.00 54.13 55.91 2b87 s LEU 19 Cb 0.17 -3.63 0.19 0.00 0.03 0.00 0.00 46.19 42.95 2b87 s LEU 19 CO 0.25 -0.43 0.96 -0.81 0.23 0.00 0.00 176.35 176.54 2b87 n PRO 20 N 1.68 1.74 0.00 1.29 -0.05 -1.26 -4.11 135.00 134.30 2b87 n PRO 20 Ca 0.02 -0.74 0.00 0.00 -0.05 0.00 0.00 63.50 62.73 2b87 n PRO 20 Cb 0.43 -1.45 0.00 0.00 -0.05 0.00 0.00 33.50 32.43 2b87 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2b87 n ASN 21 N 0.11 0.00 -4.86 3.54 3.02 -1.26 -4.99 115.26 110.81 2b87 n ASN 21 Ca 0.07 -1.00 -0.33 0.00 -0.03 0.00 0.00 54.58 53.29 2b87 n ASN 21 Cb 0.34 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 2b87 n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b87 s LEU 22 N 0.00 4.19 0.48 3.41 1.43 -1.26 -4.66 118.68 122.28 2b87 s LEU 22 Ca 0.00 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 2b87 s LEU 22 Cb 0.00 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.58 2b87 s LEU 22 CO 0.00 -0.05 0.68 0.54 0.23 0.00 0.00 176.35 177.74 2b87 s ASN 23 N -2.18 5.52 0.36 2.29 4.22 -1.26 -4.89 114.94 119.01 2b87 s ASN 23 Ca 0.46 -0.09 0.13 0.00 -2.14 0.00 0.00 52.86 51.22 2b87 s ASN 23 Cb -0.12 -0.94 0.97 0.00 1.28 0.00 0.00 41.25 42.43 2b87 s ASN 23 CO 0.20 -0.91 1.78 1.23 -2.04 0.00 0.00 177.10 177.36 2b87 h GLY 24 N 0.35 1.41 0.57 0.45 0.00 -1.99 -1.56 103.07 102.29 2b87 h GLY 24 Ca -0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 2b87 h GLY 24 CO 0.51 -0.10 -0.04 -2.08 0.00 0.00 0.00 176.54 174.83 2b87 h VAL 25 N 0.53 1.38 -0.36 4.60 2.07 -1.97 -0.72 116.25 121.77 2b87 h VAL 25 Ca 0.57 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.93 2b87 h VAL 25 Cb 1.23 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 2b87 h VAL 25 CO -0.32 0.32 0.13 1.56 0.02 0.00 0.00 177.57 179.29 2b87 h GLN 26 N -0.36 0.28 -0.41 1.57 4.20 -1.74 0.90 115.11 119.55 2b87 h GLN 26 Ca 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2b87 h GLN 26 Cb 0.55 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2b87 h GLN 26 CO 0.01 0.19 0.21 0.28 -0.67 0.00 0.00 178.83 178.84 2b87 h VAL 27 N 0.29 1.16 -0.44 -0.54 2.07 -1.35 0.42 116.25 117.86 2b87 h VAL 27 Ca 0.17 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2b87 h VAL 27 Cb 0.14 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2b87 h VAL 27 CO -0.16 0.17 0.14 0.11 0.02 0.00 0.00 177.57 177.85 2b87 h LYS 28 N 0.52 0.64 -0.19 1.57 1.57 -0.46 0.32 116.57 120.54 2b87 h LYS 28 Ca 0.14 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 2b87 h LYS 28 Cb 0.09 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2b87 h LYS 28 CO -0.02 0.55 -0.34 0.00 -0.57 0.00 0.00 179.45 179.08 2b87 h ALA 29 N 1.53 0.29 -0.62 3.86 0.00 0.16 0.59 119.26 125.08 2b87 h ALA 29 Ca 0.15 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2b87 h ALA 29 Cb 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2b87 h ALA 29 CO -0.01 0.34 0.11 0.74 0.00 0.00 0.00 179.25 180.43 2b87 h PHE 30 N 0.22 1.05 -0.23 0.00 0.04 0.14 0.59 116.94 118.75 2b87 h PHE 30 Ca 0.01 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 2b87 h PHE 30 Cb 0.93 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 2b87 h PHE 30 CO 0.09 0.88 0.09 0.82 -0.60 0.00 0.00 178.31 179.59 2b87 h ILE 31 N 0.94 1.18 -0.90 -0.55 2.04 -0.17 0.37 117.51 120.41 2b87 h ILE 31 Ca 0.19 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2b87 h ILE 31 Cb 0.40 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2b87 h ILE 31 CO 0.01 0.18 0.53 0.44 0.00 0.00 0.00 178.15 179.31 2b87 h ASP 32 N 0.22 1.09 -0.48 1.72 3.32 0.98 0.52 116.42 123.78 2b87 h ASP 32 Ca 0.08 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2b87 h ASP 32 Cb 0.20 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2b87 h ASP 32 CO -0.00 0.84 0.02 0.28 -1.72 0.00 0.00 179.24 178.65 2b87 h SER 33 N 1.24 0.86 0.16 6.45 0.02 0.51 0.37 113.55 123.16 2b87 h SER 33 Ca 0.32 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2b87 h SER 33 Cb -0.04 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.27 2b87 h SER 33 CO -0.06 0.91 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.40 2b87 h LEU 34 N 0.83 -0.18 -0.58 5.07 3.38 0.90 0.85 115.31 125.59 2b87 h LEU 34 Ca 0.16 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2b87 h LEU 34 Cb 0.47 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2b87 h LEU 34 CO 0.02 -0.07 0.36 0.03 0.09 0.00 0.00 178.44 178.87 2b87 h ARG 35 N -0.27 0.70 -0.48 1.13 3.08 0.35 0.15 114.38 119.04 2b87 h ARG 35 Ca -0.02 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 2b87 h ARG 35 Cb 0.21 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2b87 h ARG 35 CO 0.04 0.46 -0.18 0.22 -1.07 0.00 0.00 179.97 179.43 2b87 h ASP 36 N 0.72 0.96 -2.30 7.04 3.58 0.01 -3.40 116.42 123.02 2b87 h ASP 36 Ca 0.23 -0.34 -0.43 0.00 0.42 0.00 0.00 57.03 56.91 2b87 h ASP 36 Cb -0.01 -0.26 -0.35 0.00 1.72 0.00 0.00 39.33 40.43 2b87 h ASP 36 CO -0.09 1.11 -0.72 -0.62 -2.88 0.00 0.00 179.24 176.05 2b87 s ASP 37 N -6.71 2.15 0.30 2.28 -1.08 0.29 -5.01 116.67 108.89 2b87 s ASP 37 Ca -0.11 -1.36 0.08 0.00 -0.52 0.00 0.00 52.55 50.64 2b87 s ASP 37 Cb 0.13 0.18 0.46 0.00 -1.46 0.00 0.00 42.92 42.22 2b87 s ASP 37 CO 0.86 -0.35 1.69 -0.65 0.52 0.00 0.00 175.17 177.24 2b87 h PRO 38 N 7.72 0.16 -0.00 4.34 0.11 -0.92 -2.50 132.00 140.91 2b87 h PRO 38 Ca -0.06 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 2b87 h PRO 38 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2b87 h PRO 38 CO 0.30 0.60 -0.17 1.03 -0.21 0.00 0.00 178.00 179.55 2b87 h SER 39 N 0.13 0.00 0.07 -2.05 0.87 -1.89 0.48 113.55 111.16 2b87 h SER 39 Ca 0.01 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2b87 h SER 39 Cb 0.87 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2b87 h SER 39 CO 0.07 0.17 -0.01 1.67 -0.53 0.00 0.00 176.83 178.19 2b87 n GLN 40 N -4.34 1.07 -0.34 2.24 7.27 -0.95 -4.24 117.38 118.09 2b87 n GLN 40 Ca -0.02 -0.24 0.18 0.00 0.07 0.00 0.00 57.00 56.99 2b87 n GLN 40 Cb 0.23 -1.50 0.40 0.00 2.41 0.00 0.00 30.24 31.78 2b87 n GLN 40 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2b87 h SER 41 N 0.57 0.66 -0.41 1.69 0.87 -0.82 0.36 113.55 116.47 2b87 h SER 41 Ca 0.00 0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 2b87 h SER 41 Cb 0.17 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2b87 h SER 41 CO 0.00 0.11 -0.04 0.00 -0.53 0.00 0.00 176.83 176.37 2b87 h ALA 42 N 1.71 1.02 -0.22 6.23 0.00 -1.80 -0.63 119.26 125.57 2b87 h ALA 42 Ca 0.64 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 2b87 h ALA 42 Cb 1.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2b87 h ALA 42 CO -0.45 0.60 -0.31 -0.91 0.00 0.00 0.00 179.25 178.18 2b87 h ASN 43 N 0.77 0.46 0.20 0.00 2.35 -0.66 0.25 115.58 118.94 2b87 h ASN 43 Ca 0.14 -0.17 -0.20 0.00 -0.55 0.00 0.00 56.30 55.52 2b87 h ASN 43 Cb 0.52 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2b87 h ASN 43 CO 0.03 0.75 -0.79 -0.07 -1.65 0.00 0.00 177.43 175.70 2b87 h LEU 44 N 0.39 0.59 -0.82 1.61 3.38 -0.77 0.55 115.31 120.23 2b87 h LEU 44 Ca 0.05 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.52 2b87 h LEU 44 Cb 0.74 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2b87 h LEU 44 CO 0.06 1.17 -0.10 0.25 0.09 0.00 0.00 178.44 179.90 2b87 h LEU 45 N 0.32 0.76 -0.27 1.67 5.85 -0.85 0.71 115.31 123.50 2b87 h LEU 45 Ca -0.05 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2b87 h LEU 45 Cb 1.39 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2b87 h LEU 45 CO 0.14 0.89 0.02 0.00 -0.34 0.00 0.00 178.44 179.15 2b87 h ALA 46 N 1.18 0.36 -0.67 1.25 0.00 0.12 0.22 119.26 121.72 2b87 h ALA 46 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2b87 h ALA 46 Cb 0.58 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2b87 h ALA 46 CO 0.04 0.07 0.26 0.93 0.00 0.00 0.00 179.25 180.55 2b87 h GLU 47 N 0.25 0.99 -0.11 0.00 4.39 0.56 0.76 114.58 121.42 2b87 h GLU 47 Ca 0.08 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2b87 h GLU 47 Cb 0.38 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2b87 h GLU 47 CO 0.01 0.81 -0.01 0.00 -1.16 0.00 0.00 179.01 178.66 2b87 h ALA 48 N 1.32 0.15 -0.13 3.43 0.00 0.79 0.71 119.26 125.53 2b87 h ALA 48 Ca 0.23 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2b87 h ALA 48 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2b87 h ALA 48 CO -0.02 -0.14 0.09 0.87 0.00 0.00 0.00 179.25 180.05 2b87 h LYS 49 N -0.08 0.08 -0.11 0.00 1.57 -0.18 1.28 116.57 119.13 2b87 h LYS 49 Ca 0.03 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 2b87 h LYS 49 Cb 0.38 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.68 2b87 h LYS 49 CO 0.01 0.05 -0.70 -0.22 -0.57 0.00 0.00 179.45 178.02 2b87 h LYS 50 N 0.08 0.66 -0.29 3.15 3.64 -0.07 0.22 116.57 123.97 2b87 h LYS 50 Ca 0.06 -0.57 -0.12 0.00 -1.27 0.00 0.00 60.65 58.75 2b87 h LYS 50 Cb 0.12 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2b87 h LYS 50 CO -0.01 1.18 -0.28 -0.07 -2.27 0.00 0.00 179.45 178.01 2b87 h LEU 51 N 0.33 0.74 -0.32 5.20 -0.00 0.21 0.39 115.31 121.86 2b87 h LEU 51 Ca -0.06 -0.47 -0.02 0.00 -0.00 0.00 0.00 57.88 57.33 2b87 h LEU 51 Cb 1.35 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 2b87 h LEU 51 CO 0.14 1.06 0.13 -1.13 -0.00 0.00 0.00 178.44 178.64 2b87 h ASN 52 N 0.43 0.44 -0.71 -0.43 -0.73 0.15 0.31 115.58 115.05 2b87 h ASN 52 Ca 0.05 -0.17 -0.03 0.00 1.87 0.00 0.00 56.30 58.02 2b87 h ASN 52 Cb 0.85 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.29 2b87 h ASN 52 CO 0.07 0.49 0.31 -0.78 -0.37 0.00 0.00 177.43 177.15 2b87 h ASP 53 N 0.36 0.95 -0.68 1.15 3.58 -0.44 1.03 116.42 122.38 2b87 h ASP 53 Ca 0.11 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 2b87 h ASP 53 Cb 0.19 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2b87 h ASP 53 CO -0.01 0.84 0.30 0.00 -2.88 0.00 0.00 179.24 177.49 2b87 h ALA 54 N 1.15 1.20 -0.00 -0.78 0.00 0.19 -0.82 119.26 120.19 2b87 h ALA 54 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2b87 h ALA 54 Cb 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2b87 h ALA 54 CO -0.03 0.59 -0.17 1.04 0.00 0.00 0.00 179.25 180.68 2b87 n GLN 55 N -4.31 0.58 -3.08 0.00 6.02 0.11 -4.85 117.38 111.85 2b87 n GLN 55 Ca 0.06 -0.24 -0.39 0.00 -0.01 0.00 0.00 57.00 56.43 2b87 n GLN 55 Cb 0.16 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.87 2b87 n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b87 s ALA 56 N -2.58 3.48 0.44 -1.58 0.00 0.35 -4.94 121.76 116.93 2b87 s ALA 56 Ca 0.25 0.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.24 2b87 s ALA 56 Cb 0.20 -2.85 -0.14 0.00 0.00 0.00 0.00 23.12 20.33 2b87 s ALA 56 CO 0.51 0.33 0.19 -0.35 0.00 0.00 0.00 175.76 176.44 2b87 n PRO 57 N 1.48 0.17 0.00 0.00 -0.04 -1.26 -4.92 135.00 130.43 2b87 n PRO 57 Ca -0.06 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2b87 n PRO 57 Cb 0.50 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2b87 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09