#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 -0.06 -1.02 6.55 2.15 -1.26 -5.09 116.67 117.94 2b87 s ASP 2 Ca 0.00 -0.01 -0.22 0.00 0.43 0.00 0.00 52.55 52.75 2b87 s ASP 2 Cb 0.00 0.27 0.06 0.00 -0.30 0.00 0.00 42.92 42.95 2b87 s ASP 2 CO 0.00 -0.29 1.42 0.20 -0.17 0.00 0.00 175.17 176.33 2b87 s ASN 3 N -0.96 6.53 0.13 -0.34 0.01 -1.26 -4.85 114.94 114.21 2b87 s ASN 3 Ca -0.10 -1.58 -0.19 0.00 -0.71 0.00 0.00 52.86 50.28 2b87 s ASN 3 Cb -0.06 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 2b87 s ASN 3 CO 0.01 -1.43 1.77 0.50 -1.51 0.00 0.00 177.10 176.44 2b87 h LYS 4 N 9.57 0.27 -0.74 -0.60 1.63 -1.98 0.30 116.57 125.01 2b87 h LYS 4 Ca 0.20 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2b87 h LYS 4 Cb 1.01 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.54 2b87 h LYS 4 CO 1.39 0.18 0.47 0.27 -3.45 0.00 0.00 179.45 178.31 2b87 h PHE 5 N 0.28 0.95 -0.33 1.91 -0.00 -1.96 0.65 116.94 118.45 2b87 h PHE 5 Ca 0.10 0.01 -0.05 0.00 -0.00 0.00 0.00 57.97 58.03 2b87 h PHE 5 Cb 0.02 -0.32 -0.01 0.00 -0.00 0.00 0.00 35.95 35.64 2b87 h PHE 5 CO -0.09 0.62 -0.01 -0.97 -0.00 0.00 0.00 178.31 177.86 2b87 h ASN 6 N 1.01 0.57 -0.77 -0.68 -1.24 -1.86 1.23 115.58 113.84 2b87 h ASN 6 Ca 0.27 -0.31 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 2b87 h ASN 6 Cb -0.08 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 38.78 2b87 h ASN 6 CO -0.05 0.75 0.45 0.50 -1.29 0.00 0.00 177.43 177.78 2b87 h LYS 7 N 0.38 1.06 -0.26 6.67 3.64 0.00 0.36 116.57 128.43 2b87 h LYS 7 Ca 0.09 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 2b87 h LYS 7 Cb 0.46 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2b87 h LYS 7 CO 0.02 0.76 -0.48 0.93 -2.27 0.00 0.00 179.45 178.41 2b87 h GLU 8 N 1.06 0.69 -0.83 1.90 5.08 0.64 1.22 114.58 124.34 2b87 h GLU 8 Ca 0.27 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2b87 h GLU 8 Cb -0.01 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2b87 h GLU 8 CO -0.05 1.02 0.54 1.25 -1.00 0.00 0.00 179.01 180.77 2b87 h LEU 9 N 0.55 0.96 -0.01 1.33 5.85 0.24 1.09 115.31 125.32 2b87 h LEU 9 Ca 0.03 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 2b87 h LEU 9 Cb 1.04 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.83 2b87 h LEU 9 CO 0.10 0.71 -0.44 1.23 -0.34 0.00 0.00 178.44 179.70 2b87 h GLY 10 N 1.13 0.35 0.93 3.75 0.00 -0.04 -2.43 103.07 106.76 2b87 h GLY 10 Ca 0.30 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2b87 h GLY 10 CO -0.06 0.53 0.10 -0.25 0.00 0.00 0.00 176.54 176.85 2b87 h TRP 11 N -0.25 0.26 -0.99 5.60 -0.00 0.20 0.20 115.95 120.98 2b87 h TRP 11 Ca -0.05 -0.01 0.02 0.00 -0.00 0.00 0.00 58.89 58.85 2b87 h TRP 11 Cb 1.15 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 30.18 2b87 h TRP 11 CO 0.16 0.26 0.65 0.00 -0.00 0.00 0.00 178.44 179.51 2b87 h ALA 12 N 0.98 1.31 -0.43 2.65 0.00 0.11 0.68 119.26 124.56 2b87 h ALA 12 Ca 0.07 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2b87 h ALA 12 Cb 0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 2b87 h ALA 12 CO -0.01 0.62 0.13 1.15 0.00 0.00 0.00 179.25 181.15 2b87 h THR 13 N 1.31 0.83 -0.27 0.00 2.02 -0.82 0.23 112.91 116.22 2b87 h THR 13 Ca 0.37 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.41 2b87 h THR 13 Cb -0.11 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2b87 h THR 13 CO -0.09 0.05 0.02 -0.25 0.37 0.00 0.00 175.52 175.62 2b87 h TRP 14 N 0.29 0.50 -0.82 3.16 2.91 0.11 0.32 115.95 122.42 2b87 h TRP 14 Ca 0.21 -0.08 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 2b87 h TRP 14 Cb 0.22 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.70 2b87 h TRP 14 CO -0.17 0.60 0.44 0.93 -1.03 0.00 0.00 178.44 179.21 2b87 h GLU 15 N 0.26 1.14 -0.24 2.65 5.08 0.76 0.93 114.58 125.16 2b87 h GLU 15 Ca 0.08 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 2b87 h GLU 15 Cb 0.39 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2b87 h GLU 15 CO 0.01 0.84 -0.41 0.82 -1.00 0.00 0.00 179.01 179.27 2b87 h ILE 16 N 1.15 1.30 -0.71 3.13 2.04 -0.41 -1.73 117.51 122.27 2b87 h ILE 16 Ca 0.29 -1.59 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 2b87 h ILE 16 Cb 0.04 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2b87 h ILE 16 CO -0.04 0.50 0.23 0.15 0.00 0.00 0.00 178.15 178.99 2b87 h PHE 17 N 0.48 1.13 -0.22 1.37 3.57 0.14 -2.77 116.94 120.63 2b87 h PHE 17 Ca 0.04 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2b87 h PHE 17 Cb 0.92 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2b87 h PHE 17 CO 0.04 0.90 0.00 0.09 -2.23 0.00 0.00 178.31 177.10 2b87 n ASN 18 N -4.31 1.71 -4.74 0.41 3.02 0.31 -4.92 115.26 106.74 2b87 n ASN 18 Ca 0.05 -1.79 -0.41 0.00 -0.03 0.00 0.00 54.58 52.40 2b87 n ASN 18 Cb 0.22 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 2b87 n ASN 18 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b87 s LEU 19 N -1.39 4.41 -0.03 3.41 1.43 -0.67 -4.91 118.68 120.93 2b87 s LEU 19 Ca 0.30 2.49 0.03 0.00 -1.03 0.00 0.00 54.13 55.91 2b87 s LEU 19 Cb 0.16 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.90 2b87 s LEU 19 CO 0.23 -0.58 0.87 -0.81 0.23 0.00 0.00 176.35 176.29 2b87 n PRO 20 N 2.53 1.57 0.00 1.29 -0.05 -1.26 -4.05 135.00 135.03 2b87 n PRO 20 Ca 0.06 -0.55 0.00 0.00 -0.05 0.00 0.00 63.50 62.96 2b87 n PRO 20 Cb 0.42 -1.44 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 0.04 0.00 -4.87 3.54 3.02 -1.26 -4.99 115.26 110.73 2b87 n ASN 21 Ca 0.05 -0.90 -0.31 0.00 -0.03 0.00 0.00 54.58 53.38 2b87 n ASN 21 Cb 0.31 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.43 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 4.03 0.35 3.41 1.43 -1.26 -4.66 118.68 121.99 2b87 s LEU 22 Ca 0.00 1.04 0.05 0.00 -1.03 0.00 0.00 54.13 54.19 2b87 s LEU 22 Cb 0.00 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.36 2b87 s LEU 22 CO 0.00 -0.22 0.50 0.54 0.23 0.00 0.00 176.35 177.40 2b87 s ASN 23 N -2.69 5.97 0.45 2.29 4.22 -1.26 -4.89 114.94 119.03 2b87 s ASN 23 Ca 0.50 -0.08 0.26 0.00 -2.14 0.00 0.00 52.86 51.40 2b87 s ASN 23 Cb -0.11 -1.33 1.29 0.00 1.28 0.00 0.00 41.25 42.38 2b87 s ASN 23 CO 0.24 -0.46 1.78 1.23 -2.04 0.00 0.00 177.10 177.85 2b87 h GLY 24 N 0.81 0.78 0.32 0.45 0.00 -1.99 -1.18 103.07 102.26 2b87 h GLY 24 Ca -0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 2b87 h GLY 24 CO 0.54 -0.10 -0.05 -2.08 0.00 0.00 0.00 176.54 174.85 2b87 h VAL 25 N 0.23 1.57 -0.53 4.60 2.07 -1.97 -1.62 116.25 120.60 2b87 h VAL 25 Ca 0.59 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 2b87 h VAL 25 Cb 1.84 2.73 -0.03 0.00 -1.52 0.00 0.00 31.29 34.31 2b87 h VAL 25 CO -0.20 0.46 0.30 1.56 0.02 0.00 0.00 177.57 179.71 2b87 h GLN 26 N -0.67 0.74 -0.42 1.57 4.20 -1.72 0.68 115.11 119.48 2b87 h GLN 26 Ca -0.00 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2b87 h GLN 26 Cb 0.78 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2b87 h GLN 26 CO 0.01 0.56 0.22 0.28 -0.67 0.00 0.00 178.83 179.23 2b87 h VAL 27 N 0.71 1.16 -0.56 -0.54 2.07 -1.36 0.20 116.25 117.94 2b87 h VAL 27 Ca 0.19 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2b87 h VAL 27 Cb 0.03 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2b87 h VAL 27 CO -0.03 0.17 0.36 0.50 0.02 0.00 0.00 177.57 178.58 2b87 h LYS 28 N 0.54 0.75 -0.21 1.57 3.64 -0.72 0.10 116.57 122.24 2b87 h LYS 28 Ca 0.15 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2b87 h LYS 28 Cb 0.07 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2b87 h LYS 28 CO -0.02 0.51 -0.33 0.00 -2.27 0.00 0.00 179.45 177.34 2b87 h ALA 29 N 1.63 0.32 -0.66 5.00 0.00 0.13 0.46 119.26 126.13 2b87 h ALA 29 Ca 0.20 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2b87 h ALA 29 Cb -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2b87 h ALA 29 CO -0.04 0.36 0.19 0.74 0.00 0.00 0.00 179.25 180.50 2b87 h PHE 30 N 0.26 1.06 -0.40 0.00 0.04 -0.16 0.51 116.94 118.26 2b87 h PHE 30 Ca 0.02 -0.10 -0.10 0.00 2.80 0.00 0.00 57.97 60.59 2b87 h PHE 30 Cb 0.91 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 2b87 h PHE 30 CO 0.09 0.85 -0.12 0.82 -0.60 0.00 0.00 178.31 179.35 2b87 h ILE 31 N 0.99 1.28 -0.74 -0.55 2.04 -0.66 0.20 117.51 120.06 2b87 h ILE 31 Ca 0.22 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 2b87 h ILE 31 Cb 0.30 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2b87 h ILE 31 CO -0.01 0.41 0.44 -0.78 0.00 0.00 0.00 178.15 178.21 2b87 h ASP 32 N 0.60 0.89 -0.32 1.72 3.58 0.72 0.18 116.42 123.79 2b87 h ASP 32 Ca 0.10 -0.07 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 2b87 h ASP 32 Cb 0.66 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 2b87 h ASP 32 CO 0.04 0.70 -0.11 0.28 -2.88 0.00 0.00 179.24 177.28 2b87 h SER 33 N 1.01 0.73 0.16 2.28 0.02 0.20 -1.38 113.55 116.56 2b87 h SER 33 Ca 0.26 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2b87 h SER 33 Cb -0.02 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2b87 h SER 33 CO -0.05 0.87 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.32 2b87 h LEU 34 N 0.67 -0.30 -0.43 5.07 3.38 0.38 0.60 115.31 124.68 2b87 h LEU 34 Ca 0.12 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2b87 h LEU 34 Cb 0.57 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2b87 h LEU 34 CO 0.04 -0.19 0.25 0.03 0.09 0.00 0.00 178.44 178.66 2b87 h ARG 35 N -0.28 0.49 -0.53 1.13 3.08 -0.80 0.11 114.38 117.57 2b87 h ARG 35 Ca -0.01 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2b87 h ARG 35 Cb 0.25 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2b87 h ARG 35 CO -0.00 0.32 0.15 0.22 -1.07 0.00 0.00 179.97 179.59 2b87 h ASP 36 N 0.50 0.73 -1.81 7.04 3.58 -0.92 -3.39 116.42 122.15 2b87 h ASP 36 Ca 0.18 -0.12 -0.25 0.00 0.42 0.00 0.00 57.03 57.26 2b87 h ASP 36 Cb 0.03 -0.19 -0.29 0.00 1.72 0.00 0.00 39.33 40.59 2b87 h ASP 36 CO -0.09 0.70 -0.59 -0.62 -2.88 0.00 0.00 179.24 175.76 2b87 s ASP 37 N -6.59 0.72 0.33 2.28 -1.08 0.21 -5.01 116.67 107.52 2b87 s ASP 37 Ca -0.09 -0.80 0.13 0.00 -0.52 0.00 0.00 52.55 51.26 2b87 s ASP 37 Cb 0.16 0.90 0.57 0.00 -1.46 0.00 0.00 42.92 43.09 2b87 s ASP 37 CO 0.79 -0.32 1.73 -0.65 0.52 0.00 0.00 175.17 177.23 2b87 h PRO 38 N 7.82 0.00 0.00 4.34 0.11 -1.02 -2.53 132.00 140.71 2b87 h PRO 38 Ca -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2b87 h PRO 38 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2b87 h PRO 38 CO 0.25 0.48 -0.07 0.77 -0.21 0.00 0.00 178.00 179.22 2b87 h SER 39 N 0.00 0.00 0.05 -2.05 0.02 -1.91 0.15 113.55 109.81 2b87 h SER 39 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b87 h SER 39 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2b87 h SER 39 CO 0.06 0.07 -0.02 0.00 -1.14 0.00 0.00 176.83 175.80 2b87 n GLN 40 N -4.34 1.25 -0.32 3.45 3.00 -0.96 -4.21 117.38 115.24 2b87 n GLN 40 Ca -0.03 -0.47 0.20 0.00 -0.01 0.00 0.00 57.00 56.69 2b87 n GLN 40 Cb 0.15 -1.49 0.46 0.00 0.00 0.00 0.00 30.24 29.36 2b87 n GLN 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2b87 h SER 41 N 1.16 0.53 -0.52 1.08 4.64 -0.69 0.57 113.55 120.31 2b87 h SER 41 Ca 0.00 0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.29 2b87 h SER 41 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2b87 h SER 41 CO 0.00 0.12 -0.16 0.00 -0.87 0.00 0.00 176.83 175.92 2b87 h ALA 42 N 1.64 0.72 -0.27 5.18 0.00 -1.79 0.47 119.26 125.22 2b87 h ALA 42 Ca 0.59 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2b87 h ALA 42 Cb 1.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2b87 h ALA 42 CO -0.33 0.68 -0.26 -0.91 0.00 0.00 0.00 179.25 178.42 2b87 h ASN 43 N 0.90 0.54 0.12 0.00 2.35 -0.35 0.38 115.58 119.52 2b87 h ASN 43 Ca 0.13 -0.19 -0.22 0.00 -0.55 0.00 0.00 56.30 55.47 2b87 h ASN 43 Cb 0.74 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2b87 h ASN 43 CO 0.06 0.79 -0.83 -0.07 -1.65 0.00 0.00 177.43 175.73 2b87 h LEU 44 N 0.47 0.69 -0.84 1.61 3.38 -0.25 0.56 115.31 120.94 2b87 h LEU 44 Ca 0.06 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 2b87 h LEU 44 Cb 0.70 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2b87 h LEU 44 CO 0.05 1.27 -0.01 0.25 0.09 0.00 0.00 178.44 180.09 2b87 h LEU 45 N 0.36 0.83 -0.24 1.67 5.85 -0.65 0.76 115.31 123.90 2b87 h LEU 45 Ca -0.06 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2b87 h LEU 45 Cb 1.45 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2b87 h LEU 45 CO 0.15 0.90 0.00 0.00 -0.34 0.00 0.00 178.44 179.16 2b87 h ALA 46 N 1.19 0.32 -0.71 1.25 0.00 0.28 0.28 119.26 121.87 2b87 h ALA 46 Ca 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2b87 h ALA 46 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2b87 h ALA 46 CO 0.02 0.04 0.32 0.93 0.00 0.00 0.00 179.25 180.57 2b87 h GLU 47 N 0.19 1.02 -0.10 0.00 4.39 0.60 0.17 114.58 120.85 2b87 h GLU 47 Ca 0.07 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2b87 h GLU 47 Cb 0.40 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2b87 h GLU 47 CO 0.01 0.80 -0.00 0.00 -1.16 0.00 0.00 179.01 178.66 2b87 h ALA 48 N 1.34 0.14 -0.13 3.43 0.00 0.89 0.83 119.26 125.76 2b87 h ALA 48 Ca 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2b87 h ALA 48 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2b87 h ALA 48 CO -0.03 -0.17 0.08 0.87 0.00 0.00 0.00 179.25 180.00 2b87 h LYS 49 N -0.10 0.17 -0.08 0.00 1.57 -0.02 1.21 116.57 119.33 2b87 h LYS 49 Ca 0.03 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.56 2b87 h LYS 49 Cb 0.36 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.64 2b87 h LYS 49 CO 0.01 0.13 -0.89 0.87 -0.57 0.00 0.00 179.45 179.00 2b87 h LYS 50 N 0.18 0.68 -0.23 3.15 1.57 -0.00 0.21 116.57 122.13 2b87 h LYS 50 Ca 0.05 -0.63 -0.11 0.00 -1.87 0.00 0.00 60.65 58.08 2b87 h LYS 50 Cb -0.00 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2b87 h LYS 50 CO -0.01 1.23 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.73 2b87 h LEU 51 N 0.43 0.66 -0.33 2.94 -0.00 0.23 0.36 115.31 119.60 2b87 h LEU 51 Ca -0.08 -0.50 -0.01 0.00 -0.00 0.00 0.00 57.88 57.28 2b87 h LEU 51 Cb 1.52 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.97 2b87 h LEU 51 CO 0.17 1.04 0.15 -1.13 -0.00 0.00 0.00 178.44 178.67 2b87 h ASN 52 N 0.31 0.45 -0.68 -0.43 -0.73 0.14 0.29 115.58 114.92 2b87 h ASN 52 Ca 0.03 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.04 2b87 h ASN 52 Cb 0.88 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.32 2b87 h ASN 52 CO 0.07 0.46 0.36 -0.78 -0.37 0.00 0.00 177.43 177.18 2b87 h ASP 53 N 0.40 0.86 -0.70 1.15 3.58 -0.47 1.03 116.42 122.27 2b87 h ASP 53 Ca 0.11 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 2b87 h ASP 53 Cb 0.14 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 2b87 h ASP 53 CO -0.01 0.72 0.33 0.00 -2.88 0.00 0.00 179.24 177.40 2b87 h ALA 54 N 1.18 1.23 -0.00 -0.78 0.00 0.20 -0.73 119.26 120.36 2b87 h ALA 54 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2b87 h ALA 54 Cb 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2b87 h ALA 54 CO -0.04 0.58 -0.19 1.04 0.00 0.00 0.00 179.25 180.65 2b87 n GLN 55 N -4.32 0.34 -3.17 0.00 6.02 0.96 -4.83 117.38 112.38 2b87 n GLN 55 Ca 0.07 -0.12 -0.39 0.00 -0.01 0.00 0.00 57.00 56.55 2b87 n GLN 55 Cb 0.14 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 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 -2.75 3.49 0.45 -1.58 0.00 0.35 -4.96 121.76 116.77 2b87 s ALA 56 Ca 0.20 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 52.05 2b87 s ALA 56 Cb 0.19 -2.77 -0.14 0.00 0.00 0.00 0.00 23.12 20.40 2b87 s ALA 56 CO 0.55 0.22 0.17 -0.35 0.00 0.00 0.00 175.76 176.35 2b87 n PRO 57 N 2.39 0.17 0.00 0.00 -0.04 -1.26 -4.89 135.00 131.37 2b87 n PRO 57 Ca -0.07 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2b87 n PRO 57 Cb 0.51 -1.18 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