#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b87 s ASP 2 N 0.00 -0.27 -0.25 4.52 1.47 -1.26 -5.05 116.67 115.83 2b87 s ASP 2 Ca 0.00 -0.51 0.12 0.00 1.18 0.00 0.00 52.55 53.34 2b87 s ASP 2 Cb 0.00 0.67 0.52 0.00 -0.34 0.00 0.00 42.92 43.77 2b87 s ASP 2 CO 0.00 -1.22 1.47 0.59 0.68 0.00 0.00 175.17 176.69 2b87 n ASN 3 N -0.45 3.09 -0.12 2.11 3.02 -1.26 -4.69 115.26 116.96 2b87 n ASN 3 Ca -0.06 -3.46 -0.06 0.00 -0.03 0.00 0.00 54.58 50.97 2b87 n ASN 3 Cb 0.60 -0.61 0.02 0.00 -0.61 0.00 0.00 39.78 39.18 2b87 n ASN 3 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2b87 h LYS 4 N 1.30 0.32 -0.91 3.52 1.63 -1.99 0.88 116.57 121.32 2b87 h LYS 4 Ca 0.16 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.97 2b87 h LYS 4 Cb 1.63 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 33.14 2b87 h LYS 4 CO 0.36 0.21 0.60 0.27 -3.45 0.00 0.00 179.45 177.43 2b87 h PHE 5 N 0.33 1.10 -0.32 1.91 -0.00 -1.95 0.41 116.94 118.41 2b87 h PHE 5 Ca 0.18 0.03 -0.04 0.00 -0.00 0.00 0.00 57.97 58.14 2b87 h PHE 5 Cb 0.14 -0.37 -0.01 0.00 -0.00 0.00 0.00 35.95 35.71 2b87 h PHE 5 CO -0.13 0.64 0.06 -0.97 -0.00 0.00 0.00 178.31 177.90 2b87 h ASN 6 N 1.14 0.50 -0.65 -0.68 -1.24 -1.55 1.56 115.58 114.66 2b87 h ASN 6 Ca 0.36 -0.25 -0.06 0.00 0.71 0.00 0.00 56.30 57.06 2b87 h ASN 6 Cb 0.02 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 2b87 h ASN 6 CO -0.11 0.63 0.18 0.50 -1.29 0.00 0.00 177.43 177.34 2b87 h LYS 7 N 0.36 1.03 -0.33 6.67 3.64 -0.22 0.29 116.57 128.01 2b87 h LYS 7 Ca 0.10 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.10 2b87 h LYS 7 Cb 0.34 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2b87 h LYS 7 CO 0.01 0.92 -0.37 0.93 -2.27 0.00 0.00 179.45 178.66 2b87 h GLU 8 N 0.96 0.77 -0.84 1.90 5.08 0.09 1.22 114.58 123.75 2b87 h GLU 8 Ca 0.21 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2b87 h GLU 8 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2b87 h GLU 8 CO -0.00 1.01 0.54 1.25 -1.00 0.00 0.00 179.01 180.81 2b87 h LEU 9 N 0.63 0.98 -0.15 1.33 5.85 0.28 1.12 115.31 125.35 2b87 h LEU 9 Ca 0.06 -0.04 -0.21 0.00 0.84 0.00 0.00 57.88 58.53 2b87 h LEU 9 Cb 0.91 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.71 2b87 h LEU 9 CO 0.08 0.72 -0.72 1.23 -0.34 0.00 0.00 178.44 179.42 2b87 h GLY 10 N 1.14 0.82 0.51 3.75 0.00 -0.03 -2.87 103.07 106.39 2b87 h GLY 10 Ca 0.31 -1.16 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 2b87 h GLY 10 CO -0.06 1.03 -0.02 -0.25 0.00 0.00 0.00 176.54 177.23 2b87 h TRP 11 N 0.46 -0.06 -0.84 5.60 -0.00 0.24 -2.14 115.95 119.22 2b87 h TRP 11 Ca -0.05 -0.00 0.08 0.00 -0.00 0.00 0.00 58.89 58.92 2b87 h TRP 11 Cb 1.35 0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 30.47 2b87 h TRP 11 CO 0.09 0.41 0.54 0.00 -0.00 0.00 0.00 178.44 179.49 2b87 h ALA 12 N 0.36 1.64 -0.41 2.65 0.00 0.11 0.44 119.26 124.05 2b87 h ALA 12 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2b87 h ALA 12 Cb 0.49 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2b87 h ALA 12 CO 0.01 0.22 0.13 1.15 0.00 0.00 0.00 179.25 180.76 2b87 h THR 13 N 0.87 0.85 -0.26 0.00 2.02 -1.43 0.23 112.91 115.19 2b87 h THR 13 Ca 0.37 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 2b87 h THR 13 Cb 0.31 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2b87 h THR 13 CO -0.14 0.05 0.03 -0.25 0.37 0.00 0.00 175.52 175.58 2b87 h TRP 14 N 0.29 0.47 -0.84 3.16 2.91 -0.14 0.20 115.95 121.99 2b87 h TRP 14 Ca 0.19 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 2b87 h TRP 14 Cb 0.19 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.68 2b87 h TRP 14 CO -0.16 0.57 0.48 0.93 -1.03 0.00 0.00 178.44 179.23 2b87 h GLU 15 N 0.24 1.17 -0.32 2.65 5.08 0.23 0.93 114.58 124.55 2b87 h GLU 15 Ca 0.08 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 2b87 h GLU 15 Cb 0.36 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2b87 h GLU 15 CO 0.01 0.84 -0.37 0.82 -1.00 0.00 0.00 179.01 179.31 2b87 h ILE 16 N 1.18 1.28 -0.70 3.13 2.04 -0.43 -2.19 117.51 121.82 2b87 h ILE 16 Ca 0.30 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 2b87 h ILE 16 Cb 0.00 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2b87 h ILE 16 CO -0.05 0.50 0.24 0.15 0.00 0.00 0.00 178.15 178.99 2b87 h PHE 17 N 0.62 1.08 -0.21 1.37 3.57 0.95 -2.64 116.94 121.67 2b87 h PHE 17 Ca 0.06 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2b87 h PHE 17 Cb 0.91 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2b87 h PHE 17 CO 0.05 0.84 0.00 0.09 -2.23 0.00 0.00 178.31 177.06 2b87 n ASN 18 N -4.28 1.62 -4.76 0.41 4.13 0.31 -4.93 115.26 107.77 2b87 n ASN 18 Ca 0.06 -1.78 -0.40 0.00 1.68 0.00 0.00 54.58 54.13 2b87 n ASN 18 Cb 0.20 -0.14 -0.03 0.00 -1.54 0.00 0.00 39.78 38.28 2b87 n ASN 18 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2b87 s LEU 19 N -1.40 4.46 -0.01 3.41 1.43 -0.85 -4.93 118.68 120.79 2b87 s LEU 19 Ca 0.29 2.48 0.04 0.00 -1.03 0.00 0.00 54.13 55.91 2b87 s LEU 19 Cb 0.15 -3.67 0.12 0.00 0.03 0.00 0.00 46.19 42.83 2b87 s LEU 19 CO 0.23 -0.38 0.99 -2.65 0.23 0.00 0.00 176.35 174.76 2b87 n PRO 20 N 0.90 1.41 0.00 1.29 -0.02 -1.26 -4.21 135.00 133.11 2b87 n PRO 20 Ca -0.00 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.98 2b87 n PRO 20 Cb 0.43 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 2b87 n PRO 20 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2b87 n ASN 21 N -0.05 0.00 -4.80 2.55 4.13 -1.26 -4.98 115.26 110.85 2b87 n ASN 21 Ca 0.05 -0.49 -0.35 0.00 1.68 0.00 0.00 54.58 55.47 2b87 n ASN 21 Cb 0.20 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.38 2b87 n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2b87 s LEU 22 N 0.00 4.03 0.40 3.41 1.43 -1.26 -4.77 118.68 121.91 2b87 s LEU 22 Ca 0.00 1.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 2b87 s LEU 22 Cb 0.00 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 2b87 s LEU 22 CO 0.00 -0.43 0.60 0.54 0.23 0.00 0.00 176.35 177.28 2b87 s ASN 23 N -1.91 5.99 0.31 2.29 4.22 -1.26 -4.86 114.94 119.72 2b87 s ASN 23 Ca 0.60 0.25 0.08 0.00 -2.14 0.00 0.00 52.86 51.66 2b87 s ASN 23 Cb -0.15 -1.63 0.87 0.00 1.28 0.00 0.00 41.25 41.62 2b87 s ASN 23 CO 0.19 -0.53 1.68 1.23 -2.04 0.00 0.00 177.10 177.63 2b87 h GLY 24 N 0.59 1.75 0.69 0.45 0.00 -1.99 0.03 103.07 104.59 2b87 h GLY 24 Ca -0.47 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 2b87 h GLY 24 CO 0.58 -0.35 -0.17 -2.08 0.00 0.00 0.00 176.54 174.51 2b87 h VAL 25 N 0.38 1.38 -0.55 4.60 2.07 -1.97 -0.49 116.25 121.67 2b87 h VAL 25 Ca 0.63 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2b87 h VAL 25 Cb 1.30 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 2b87 h VAL 25 CO -0.57 0.41 0.31 1.56 0.02 0.00 0.00 177.57 179.30 2b87 h GLN 26 N -0.13 0.76 -0.31 1.57 4.20 -1.65 0.84 115.11 120.40 2b87 h GLN 26 Ca 0.01 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2b87 h GLN 26 Cb 0.74 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2b87 h GLN 26 CO 0.04 0.58 0.16 0.28 -0.67 0.00 0.00 178.83 179.22 2b87 h VAL 27 N 0.74 1.14 -0.49 -0.54 2.07 -1.07 0.16 116.25 118.26 2b87 h VAL 27 Ca 0.19 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2b87 h VAL 27 Cb 0.03 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2b87 h VAL 27 CO -0.03 0.15 0.28 0.11 0.02 0.00 0.00 177.57 178.09 2b87 h LYS 28 N 0.37 0.66 -0.27 1.57 1.57 -0.55 0.70 116.57 120.62 2b87 h LYS 28 Ca 0.11 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2b87 h LYS 28 Cb 0.09 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2b87 h LYS 28 CO -0.02 0.48 -0.24 0.00 -0.57 0.00 0.00 179.45 179.11 2b87 h ALA 29 N 1.63 0.39 -0.66 3.86 0.00 0.15 0.68 119.26 125.31 2b87 h ALA 29 Ca 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2b87 h ALA 29 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2b87 h ALA 29 CO -0.03 0.36 0.17 0.74 0.00 0.00 0.00 179.25 180.49 2b87 h PHE 30 N 0.36 1.09 -0.32 0.00 0.04 -0.24 0.63 116.94 118.50 2b87 h PHE 30 Ca 0.05 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 2b87 h PHE 30 Cb 0.79 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2b87 h PHE 30 CO 0.07 0.89 0.06 0.82 -0.60 0.00 0.00 178.31 179.55 2b87 h ILE 31 N 0.99 1.23 -0.88 -0.55 2.04 -0.62 0.22 117.51 119.94 2b87 h ILE 31 Ca 0.21 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.30 2b87 h ILE 31 Cb 0.34 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2b87 h ILE 31 CO 0.00 0.26 0.58 0.44 0.00 0.00 0.00 178.15 179.43 2b87 h ASP 32 N 0.36 1.00 0.08 1.72 3.32 0.12 0.17 116.42 123.19 2b87 h ASP 32 Ca 0.10 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 2b87 h ASP 32 Cb 0.33 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2b87 h ASP 32 CO 0.00 0.72 -0.34 0.28 -1.72 0.00 0.00 179.24 178.18 2b87 h SER 33 N 1.18 0.38 0.22 6.45 0.02 0.49 -1.01 113.55 121.28 2b87 h SER 33 Ca 0.33 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2b87 h SER 33 Cb -0.11 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2b87 h SER 33 CO -0.08 0.70 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.14 2b87 h LEU 34 N 0.32 -0.25 -0.38 5.07 3.38 0.90 1.21 115.31 125.56 2b87 h LEU 34 Ca 0.04 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2b87 h LEU 34 Cb 0.75 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2b87 h LEU 34 CO 0.06 -0.02 0.21 0.03 0.09 0.00 0.00 178.44 178.81 2b87 h ARG 35 N -0.47 0.42 -0.39 1.13 3.08 -0.60 0.18 114.38 117.74 2b87 h ARG 35 Ca -0.03 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 2b87 h ARG 35 Cb 0.35 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2b87 h ARG 35 CO 0.05 0.28 -0.17 0.22 -1.07 0.00 0.00 179.97 179.27 2b87 h ASP 36 N 0.43 0.74 -2.49 7.04 3.58 -1.08 -3.38 116.42 121.25 2b87 h ASP 36 Ca 0.16 -0.24 -0.55 0.00 0.42 0.00 0.00 57.03 56.81 2b87 h ASP 36 Cb 0.03 -0.20 -0.38 0.00 1.72 0.00 0.00 39.33 40.50 2b87 h ASP 36 CO -0.09 0.91 -0.83 -1.81 -2.88 0.00 0.00 179.24 174.55 2b87 s ASP 37 N -6.73 2.71 0.20 2.28 1.01 0.42 -5.00 116.67 111.55 2b87 s ASP 37 Ca -0.09 -2.11 -0.02 0.00 0.71 0.00 0.00 52.55 51.04 2b87 s ASP 37 Cb 0.13 -0.26 0.14 0.00 1.01 0.00 0.00 42.92 43.95 2b87 s ASP 37 CO 0.82 -0.30 1.53 -0.65 0.21 0.00 0.00 175.17 176.78 2b87 h PRO 38 N 7.01 0.55 0.00 8.23 0.11 -0.85 -2.58 132.00 144.48 2b87 h PRO 38 Ca 0.06 -0.33 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 2b87 h PRO 38 Cb 0.98 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2b87 h PRO 38 CO 0.25 0.93 -0.12 0.66 -0.21 0.00 0.00 178.00 179.51 2b87 h SER 39 N 0.44 0.00 0.15 -2.05 4.64 -1.89 0.62 113.55 115.46 2b87 h SER 39 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2b87 h SER 39 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2b87 h SER 39 CO 0.10 0.12 -0.05 1.67 -0.87 0.00 0.00 176.83 177.79 2b87 n GLN 40 N -3.73 1.04 -0.32 4.77 7.27 -0.99 -4.22 117.38 121.20 2b87 n GLN 40 Ca -0.02 -0.37 0.19 0.00 0.07 0.00 0.00 57.00 56.87 2b87 n GLN 40 Cb 0.23 -1.49 0.44 0.00 2.41 0.00 0.00 30.24 31.83 2b87 n GLN 40 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2b87 h SER 41 N 0.91 0.57 -0.46 1.69 4.64 -0.72 0.39 113.55 120.57 2b87 h SER 41 Ca 0.00 0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 2b87 h SER 41 Cb 0.30 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2b87 h SER 41 CO 0.00 0.15 -0.03 0.00 -0.87 0.00 0.00 176.83 176.08 2b87 h ALA 42 N 1.64 0.98 -0.23 5.18 0.00 -1.79 0.89 119.26 125.93 2b87 h ALA 42 Ca 0.58 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 2b87 h ALA 42 Cb 1.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2b87 h ALA 42 CO -0.33 0.62 -0.34 -0.91 0.00 0.00 0.00 179.25 178.28 2b87 h ASN 43 N 0.82 0.52 0.15 0.00 2.35 -0.61 0.34 115.58 119.14 2b87 h ASN 43 Ca 0.15 -0.21 -0.21 0.00 -0.55 0.00 0.00 56.30 55.48 2b87 h ASN 43 Cb 0.53 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2b87 h ASN 43 CO 0.03 0.83 -0.80 -0.07 -1.65 0.00 0.00 177.43 175.76 2b87 h LEU 44 N 0.42 0.64 -0.80 1.61 3.38 -0.64 0.61 115.31 120.53 2b87 h LEU 44 Ca 0.05 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 2b87 h LEU 44 Cb 0.80 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2b87 h LEU 44 CO 0.07 1.21 -0.04 0.25 0.09 0.00 0.00 178.44 180.02 2b87 h LEU 45 N 0.34 0.85 -0.28 1.67 5.85 -0.60 0.65 115.31 123.79 2b87 h LEU 45 Ca -0.05 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 2b87 h LEU 45 Cb 1.41 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2b87 h LEU 45 CO 0.15 0.93 0.02 0.00 -0.34 0.00 0.00 178.44 179.20 2b87 h ALA 46 N 1.15 0.38 -0.69 1.25 0.00 0.24 0.43 119.26 122.03 2b87 h ALA 46 Ca 0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2b87 h ALA 46 Cb 0.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2b87 h ALA 46 CO 0.03 0.09 0.26 0.93 0.00 0.00 0.00 179.25 180.56 2b87 h GLU 47 N 0.29 1.03 -0.24 0.00 4.39 0.66 0.19 114.58 120.89 2b87 h GLU 47 Ca 0.08 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 2b87 h GLU 47 Cb 0.38 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2b87 h GLU 47 CO 0.01 0.84 -0.09 0.00 -1.16 0.00 0.00 179.01 178.61 2b87 h ALA 48 N 1.28 0.33 -0.18 3.43 0.00 0.65 0.77 119.26 125.55 2b87 h ALA 48 Ca 0.23 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2b87 h ALA 48 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2b87 h ALA 48 CO -0.02 0.17 0.12 0.87 0.00 0.00 0.00 179.25 180.39 2b87 h LYS 49 N 0.21 0.19 -0.00 0.00 1.79 0.38 1.11 116.57 120.25 2b87 h LYS 49 Ca 0.06 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.32 2b87 h LYS 49 Cb 0.58 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2b87 h LYS 49 CO 0.03 0.12 -0.76 -0.22 -1.08 0.00 0.00 179.45 177.54 2b87 h LYS 50 N 0.19 0.52 -0.30 3.15 3.64 0.06 -1.69 116.57 122.13 2b87 h LYS 50 Ca 0.07 -0.55 -0.13 0.00 -1.27 0.00 0.00 60.65 58.77 2b87 h LYS 50 Cb 0.05 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2b87 h LYS 50 CO -0.01 1.18 -0.30 -0.07 -2.27 0.00 0.00 179.45 177.98 2b87 h LEU 51 N 0.07 0.79 -0.42 5.20 -0.00 0.18 0.36 115.31 121.49 2b87 h LEU 51 Ca -0.09 -0.47 -0.03 0.00 -0.00 0.00 0.00 57.88 57.28 2b87 h LEU 51 Cb 1.45 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 2b87 h LEU 51 CO 0.15 1.10 0.13 -0.55 -0.00 0.00 0.00 178.44 179.27 2b87 h ASN 52 N 0.49 0.60 -0.64 -0.43 -1.07 0.11 0.38 115.58 115.02 2b87 h ASN 52 Ca 0.05 -0.20 -0.06 0.00 0.07 0.00 0.00 56.30 56.15 2b87 h ASN 52 Cb 0.88 -0.16 -0.03 0.00 -2.07 0.00 0.00 38.32 36.94 2b87 h ASN 52 CO 0.08 0.65 0.15 -0.78 0.07 0.00 0.00 177.43 177.60 2b87 h ASP 53 N 0.53 0.98 -0.72 6.14 3.58 -1.20 0.98 116.42 126.70 2b87 h ASP 53 Ca 0.13 -0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 2b87 h ASP 53 Cb 0.26 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 2b87 h ASP 53 CO -0.00 0.96 0.36 0.00 -2.88 0.00 0.00 179.24 177.67 2b87 h ALA 54 N 1.06 1.25 0.00 -0.78 0.00 0.16 -0.64 119.26 120.30 2b87 h ALA 54 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2b87 h ALA 54 Cb 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2b87 h ALA 54 CO 0.00 0.58 -0.23 1.04 0.00 0.00 0.00 179.25 180.64 2b87 n GLN 55 N -4.33 0.04 -2.95 0.00 6.02 0.13 -4.84 117.38 111.45 2b87 n GLN 55 Ca 0.07 0.02 -0.39 0.00 -0.01 0.00 0.00 57.00 56.70 2b87 n GLN 55 Cb 0.13 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 29.79 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 -3.02 3.41 0.49 -1.58 0.00 0.33 -4.95 121.76 116.45 2b87 s ALA 56 Ca 0.12 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.27 2b87 s ALA 56 Cb 0.17 -2.98 -0.13 0.00 0.00 0.00 0.00 23.12 20.18 2b87 s ALA 56 CO 0.61 0.28 0.12 -0.35 0.00 0.00 0.00 175.76 176.42 2b87 n PRO 57 N 1.38 0.16 0.00 0.00 -0.04 -1.26 -4.90 135.00 130.34 2b87 n PRO 57 Ca -0.04 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2b87 n PRO 57 Cb 0.49 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2b87 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09