#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b88 s ASP 2 N 0.00 6.81 0.19 6.55 1.01 -1.26 -5.03 116.67 124.94 2b88 s ASP 2 Ca 0.00 2.63 -0.09 0.00 0.71 0.00 0.00 52.55 55.79 2b88 s ASP 2 Cb 0.00 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 2b88 s ASP 2 CO 0.00 -0.50 0.33 0.54 0.21 0.00 0.00 175.17 175.75 2b88 s ASN 3 N -0.56 0.00 0.00 0.27 2.20 -1.26 -5.05 114.94 110.54 2b88 s ASN 3 Ca 0.49 -0.92 0.00 0.00 -0.94 0.00 0.00 52.86 51.48 2b88 s ASN 3 Cb -0.39 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.34 2b88 s ASN 3 CO 0.51 -0.96 0.00 2.29 -2.94 0.00 0.00 177.10 176.00 2b88 n LYS 4 N -0.27 0.56 0.09 3.55 2.85 -1.26 -4.88 118.16 118.80 2b88 n LYS 4 Ca -0.05 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.31 2b88 n LYS 4 Cb 0.63 -0.09 0.41 0.00 -0.65 0.00 0.00 35.03 35.33 2b88 n LYS 4 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 2b88 n PHE 5 N -0.26 0.51 0.23 5.58 -1.74 -1.26 -2.73 117.46 117.79 2b88 n PHE 5 Ca 0.00 0.21 0.16 0.00 -0.56 0.00 0.00 57.45 57.26 2b88 n PHE 5 Cb 0.00 -0.84 0.84 0.00 1.52 0.00 0.00 39.48 41.01 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 -2.01 -2.07 115.58 116.42 2b88 h ASN 6 Ca 0.00 0.00 0.09 0.00 -0.56 0.00 0.00 56.30 55.83 2b88 h ASN 6 Cb 0.27 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.46 2b88 h ASN 6 CO 0.00 0.00 0.46 0.50 -1.06 0.00 0.00 177.43 177.33 2b88 h LYS 7 N 0.00 0.76 -0.20 0.81 3.64 -1.93 -0.19 116.57 119.46 2b88 h LYS 7 Ca 0.06 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2b88 h LYS 7 Cb 0.32 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2b88 h LYS 7 CO -0.00 0.50 -0.11 0.93 -2.27 0.00 0.00 179.45 178.50 2b88 h GLU 8 N 0.78 0.32 -0.11 1.90 3.07 -1.63 0.26 114.58 119.17 2b88 h GLU 8 Ca 0.38 -0.08 -0.17 0.00 -0.50 0.00 0.00 59.36 59.00 2b88 h GLU 8 Cb 0.32 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2b88 h GLU 8 CO -0.23 0.44 -0.65 -0.07 -1.40 0.00 0.00 179.01 177.10 2b88 h LEU 9 N 0.30 0.48 -0.50 1.33 4.07 -1.16 -1.99 115.31 117.84 2b88 h LEU 9 Ca 0.06 -0.29 -0.15 0.00 0.08 0.00 0.00 57.88 57.58 2b88 h LEU 9 Cb 0.39 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 2b88 h LEU 9 CO 0.02 1.00 -0.71 1.23 -1.08 0.00 0.00 178.44 178.90 2b88 h GLY 10 N 1.24 0.00 0.94 0.83 0.00 -0.57 -2.32 103.07 103.19 2b88 h GLY 10 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2b88 h GLY 10 CO 0.11 0.00 -0.18 -0.25 0.00 0.00 0.00 176.54 176.22 2b88 h TRP 11 N 0.00 -0.46 -0.06 5.60 7.01 -0.17 -2.74 115.95 125.13 2b88 h TRP 11 Ca -0.01 -0.01 -0.13 0.00 2.11 0.00 0.00 58.89 60.85 2b88 h TRP 11 Cb 1.31 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 28.51 2b88 h TRP 11 CO 0.00 -0.25 -0.56 0.00 -2.79 0.00 0.00 178.44 174.84 2b88 h ALA 12 N 0.05 0.94 -0.16 2.65 0.00 -1.39 -2.79 119.26 118.56 2b88 h ALA 12 Ca -0.05 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.36 2b88 h ALA 12 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2b88 h ALA 12 CO 0.08 0.70 0.05 1.15 0.00 0.00 0.00 179.25 181.24 2b88 h THR 13 N 0.14 0.96 -0.31 0.00 2.02 -1.29 0.11 112.91 114.55 2b88 h THR 13 Ca -0.00 -0.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.97 2b88 h THR 13 Cb 1.04 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2b88 h THR 13 CO 0.08 0.02 -0.45 -0.25 0.37 0.00 0.00 175.52 175.29 2b88 h TRP 14 N 0.13 1.00 -0.32 3.16 7.01 -1.55 -0.62 115.95 124.76 2b88 h TRP 14 Ca 0.07 -0.32 0.03 0.00 2.11 0.00 0.00 58.89 60.78 2b88 h TRP 14 Cb 0.04 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 2b88 h TRP 14 CO -0.11 1.12 0.11 0.93 -2.79 0.00 0.00 178.44 177.70 2b88 h GLU 15 N 0.65 0.25 -0.40 2.65 4.39 -1.16 0.14 114.58 121.11 2b88 h GLU 15 Ca 0.04 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 2b88 h GLU 15 Cb 1.03 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2b88 h GLU 15 CO 0.10 0.16 -0.10 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 -0.80 -2.34 117.51 121.07 2b88 h ILE 16 Ca 0.14 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2b88 h ILE 16 Cb 0.11 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2b88 h ILE 16 CO -0.14 0.40 0.00 -0.26 0.00 0.00 0.00 178.15 178.15 2b88 h PHE 17 N 0.58 0.00 -0.17 1.37 0.04 -0.57 -1.67 116.94 116.51 2b88 h PHE 17 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2b88 h PHE 17 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 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 -3.01 1.86 -4.67 2.17 4.13 0.45 -4.82 115.26 111.37 2b88 n ASN 18 Ca -0.02 -2.16 -0.40 0.00 1.68 0.00 0.00 54.58 53.68 2b88 n ASN 18 Cb 0.14 -0.40 -0.05 0.00 -1.54 0.00 0.00 39.78 37.92 2b88 n ASN 18 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2b88 s LEU 19 N -0.84 4.18 0.00 3.41 1.43 -0.63 -4.95 118.68 121.28 2b88 s LEU 19 Ca 0.14 0.95 0.13 0.00 -1.03 0.00 0.00 54.13 54.33 2b88 s LEU 19 Cb 0.10 -2.97 0.79 0.00 0.03 0.00 0.00 46.19 44.13 2b88 s LEU 19 CO 0.06 -0.26 1.26 -0.81 0.23 0.00 0.00 176.35 176.83 2b88 n PRO 20 N 4.82 0.63 0.00 1.29 -0.05 -1.26 -3.37 135.00 137.06 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 -1.33 0.00 0.00 -0.05 0.00 0.00 33.50 32.62 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 -0.83 0.23 -4.72 3.54 3.02 -1.26 -5.04 115.26 110.20 2b88 n ASN 21 Ca 0.10 -0.58 -0.30 0.00 -0.03 0.00 0.00 54.58 53.77 2b88 n ASN 21 Cb 0.05 0.31 0.14 0.00 -0.61 0.00 0.00 39.78 39.66 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 -0.61 2.32 0.15 3.41 1.43 -1.22 -4.76 118.68 119.40 2b88 s LEU 22 Ca 0.00 1.53 0.10 0.00 -1.03 0.00 0.00 54.13 54.73 2b88 s LEU 22 Cb 0.00 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 2b88 s LEU 22 CO 0.00 -2.61 -0.19 0.20 0.23 0.00 0.00 176.35 173.97 2b88 s ASN 23 N -3.39 3.75 0.60 2.29 0.01 -1.26 -4.97 114.94 111.96 2b88 s ASN 23 Ca 0.63 -0.68 0.28 0.00 -0.71 0.00 0.00 52.86 52.39 2b88 s ASN 23 Cb -0.18 -0.45 1.42 0.00 0.41 0.00 0.00 41.25 42.45 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 3.45 0.00 0.38 0.66 0.00 -1.98 0.15 103.07 105.72 2b88 h GLY 24 Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 2b88 h GLY 24 CO 0.47 0.00 -0.07 -2.08 0.00 0.00 0.00 176.54 174.86 2b88 h VAL 25 N 0.00 1.53 -0.33 4.60 2.07 -1.98 -1.86 116.25 120.29 2b88 h VAL 25 Ca 0.23 -1.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.01 2b88 h VAL 25 Cb 1.34 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.72 2b88 h VAL 25 CO -0.00 0.44 -0.06 1.56 0.02 0.00 0.00 177.57 179.53 2b88 h GLN 26 N -0.60 0.62 0.09 1.57 4.20 -1.22 0.07 115.11 119.84 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 0.76 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2b88 h GLN 26 CO 0.01 0.79 -0.07 0.28 -0.67 0.00 0.00 178.83 179.18 2b88 h VAL 27 N 0.41 0.86 -0.79 -0.54 2.07 -0.96 -0.95 116.25 116.35 2b88 h VAL 27 Ca 0.09 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.74 2b88 h VAL 27 Cb 0.54 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2b88 h VAL 27 CO 0.03 0.00 0.52 0.50 0.02 0.00 0.00 177.57 178.64 2b88 h LYS 28 N -0.16 0.54 -0.63 1.57 3.64 -1.24 1.35 116.57 121.64 2b88 h LYS 28 Ca -0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2b88 h LYS 28 Cb 0.14 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2b88 h LYS 28 CO -0.00 0.35 0.29 0.00 -2.27 0.00 0.00 179.45 177.83 2b88 h ALA 29 N 1.63 0.82 -0.10 5.00 0.00 0.22 1.88 119.26 128.69 2b88 h ALA 29 Ca 0.38 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 2b88 h ALA 29 Cb 0.71 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2b88 h ALA 29 CO -0.14 0.39 -0.77 0.74 0.00 0.00 0.00 179.25 179.47 2b88 h PHE 30 N 0.87 0.79 -0.35 0.00 0.04 0.80 0.14 116.94 119.23 2b88 h PHE 30 Ca 0.22 -0.36 -0.05 0.00 2.80 0.00 0.00 57.97 60.58 2b88 h PHE 30 Cb 0.14 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2b88 h PHE 30 CO 0.00 1.15 -0.00 0.82 -0.60 0.00 0.00 178.31 179.69 2b88 h ILE 31 N 0.39 1.20 -0.34 -0.55 1.08 0.22 -0.03 117.51 119.49 2b88 h ILE 31 Ca -0.05 -0.81 -0.14 0.00 -0.39 0.00 0.00 64.86 63.47 2b88 h ILE 31 Cb 1.38 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.06 2b88 h ILE 31 CO 0.15 0.28 -0.34 0.44 -0.69 0.00 0.00 178.15 177.98 2b88 h ASP 32 N 0.53 0.90 -0.10 1.72 3.32 0.33 -2.79 116.42 120.33 2b88 h ASP 32 Ca 0.11 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 2b88 h ASP 32 Cb 0.34 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2b88 h ASP 32 CO 0.01 1.18 0.00 -1.28 -1.72 0.00 0.00 179.24 177.44 2b88 h SER 33 N 0.63 0.24 -0.31 6.45 0.87 0.02 -1.06 113.55 120.38 2b88 h SER 33 Ca 0.05 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 2b88 h SER 33 Cb 0.93 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 2b88 h SER 33 CO 0.09 0.29 0.13 -0.07 -0.53 0.00 0.00 176.83 176.73 2b88 h LEU 34 N 0.26 0.17 -0.59 2.23 -0.00 -0.75 0.52 115.31 117.15 2b88 h LEU 34 Ca 0.06 0.02 -0.10 0.00 -0.00 0.00 0.00 57.88 57.87 2b88 h LEU 34 Cb 0.17 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 2b88 h LEU 34 CO 0.00 0.14 -0.01 0.03 -0.00 0.00 0.00 178.44 178.60 2b88 h ARG 35 N 0.28 1.06 -0.46 1.13 3.08 -1.31 0.12 114.38 118.27 2b88 h ARG 35 Ca 0.14 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 2b88 h ARG 35 Cb 0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2b88 h ARG 35 CO -0.12 1.04 0.07 -0.44 -1.07 0.00 0.00 179.97 179.45 2b88 h ASP 36 N 0.95 0.67 -1.26 7.04 3.32 -0.58 -3.40 116.42 123.16 2b88 h ASP 36 Ca 0.17 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 2b88 h ASP 36 Cb 0.57 -0.18 -0.24 0.00 0.22 0.00 0.00 39.33 39.71 2b88 h ASP 36 CO 0.03 0.69 -0.44 -0.62 -1.72 0.00 0.00 179.24 177.18 2b88 s ASP 37 N -6.64 -0.87 0.07 6.45 -1.08 0.18 -5.02 116.67 109.76 2b88 s ASP 37 Ca -0.09 -0.10 0.24 0.00 -0.52 0.00 0.00 52.55 52.09 2b88 s ASP 37 Cb 0.15 1.68 0.98 0.00 -1.46 0.00 0.00 42.92 44.28 2b88 s ASP 37 CO 0.79 -0.31 1.77 -2.65 0.52 0.00 0.00 175.17 175.29 2b88 n PRO 38 N 5.32 0.07 0.12 4.34 -0.02 0.37 -3.12 135.00 142.09 2b88 n PRO 38 Ca 0.04 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 2b88 n PRO 38 Cb 0.52 -1.60 0.40 0.00 -0.02 0.00 0.00 33.50 32.81 2b88 n PRO 38 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2b88 h SER 39 N 0.00 0.00 -0.21 2.55 0.02 -1.94 -3.26 113.55 110.71 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 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2b88 h SER 39 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2b88 n GLN 40 N -2.35 2.61 -0.35 3.45 10.64 -1.18 -4.76 117.38 125.44 2b88 n GLN 40 Ca 0.05 -2.67 0.30 0.00 -1.83 0.00 0.00 57.00 52.84 2b88 n GLN 40 Cb 0.41 -1.70 0.56 0.00 -0.86 0.00 0.00 30.24 28.65 2b88 n GLN 40 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 2b88 h SER 41 N 1.43 0.38 0.43 2.61 0.02 -1.71 1.47 113.55 118.18 2b88 h SER 41 Ca 0.00 0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2b88 h SER 41 Cb 1.26 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 2b88 h SER 41 CO 0.15 -0.29 -0.50 0.00 -1.14 0.00 0.00 176.83 175.05 2b88 h ALA 42 N 1.88 1.10 -0.18 3.77 0.00 -1.90 -0.85 119.26 123.08 2b88 h ALA 42 Ca 0.80 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 2b88 h ALA 42 Cb 2.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2b88 h ALA 42 CO -0.65 0.64 -0.55 -0.97 0.00 0.00 0.00 179.25 177.71 2b88 h ASN 43 N 0.07 0.62 -0.31 0.00 -0.73 0.16 0.25 115.58 115.65 2b88 h ASN 43 Ca 0.00 -0.33 -0.09 0.00 1.87 0.00 0.00 56.30 57.74 2b88 h ASN 43 Cb 0.91 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 39.31 2b88 h ASN 43 CO 0.07 1.05 -0.13 -0.07 -0.37 0.00 0.00 177.43 177.98 2b88 h LEU 44 N 0.43 0.74 -0.60 0.34 3.38 -0.85 0.92 115.31 119.66 2b88 h LEU 44 Ca 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2b88 h LEU 44 Cb 1.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2b88 h LEU 44 CO 0.10 0.88 0.25 -0.07 0.09 0.00 0.00 178.44 179.69 2b88 h LEU 45 N 0.67 0.82 -0.25 1.67 -0.00 -0.73 0.96 115.31 118.46 2b88 h LEU 45 Ca 0.11 -0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2b88 h LEU 45 Cb 0.60 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 2b88 h LEU 45 CO 0.04 0.76 0.14 0.00 -0.00 0.00 0.00 178.44 179.38 2b88 h ALA 46 N 1.09 0.32 -0.24 1.53 0.00 0.15 0.84 119.26 122.96 2b88 h ALA 46 Ca 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2b88 h ALA 46 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2b88 h ALA 46 CO -0.02 -0.15 -0.10 0.93 0.00 0.00 0.00 179.25 179.91 2b88 h GLU 47 N 0.30 0.38 -0.26 0.00 4.39 0.12 0.12 114.58 119.63 2b88 h GLU 47 Ca 0.09 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2b88 h GLU 47 Cb 0.06 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2b88 h GLU 47 CO -0.01 0.49 -0.10 0.00 -1.16 0.00 0.00 179.01 178.22 2b88 h ALA 48 N 1.54 0.36 -0.76 3.43 0.00 0.22 0.38 119.26 124.44 2b88 h ALA 48 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2b88 h ALA 48 Cb 0.40 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2b88 h ALA 48 CO 0.02 0.21 0.44 0.87 0.00 0.00 0.00 179.25 180.79 2b88 h LYS 49 N 0.27 1.04 -0.55 0.00 1.79 0.13 0.82 116.57 120.06 2b88 h LYS 49 Ca 0.06 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 2b88 h LYS 49 Cb 0.59 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 2b88 h LYS 49 CO 0.03 0.74 0.13 0.87 -1.08 0.00 0.00 179.45 180.14 2b88 h LYS 50 N 1.05 0.88 -0.25 3.15 1.57 -0.30 1.00 116.57 123.68 2b88 h LYS 50 Ca 0.27 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 2b88 h LYS 50 Cb -0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2b88 h LYS 50 CO -0.05 0.83 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.25 2b88 h LEU 51 N 0.78 0.73 -0.39 2.94 -0.00 0.84 1.00 115.31 121.21 2b88 h LEU 51 Ca 0.17 -0.51 -0.01 0.00 -0.00 0.00 0.00 57.88 57.53 2b88 h LEU 51 Cb 0.35 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.78 2b88 h LEU 51 CO 0.00 1.10 0.19 -1.13 -0.00 0.00 0.00 178.44 178.60 2b88 h ASN 52 N 0.39 0.50 -0.84 -0.43 -1.24 0.81 0.39 115.58 115.15 2b88 h ASN 52 Ca 0.03 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 56.91 2b88 h ASN 52 Cb 0.93 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.81 2b88 h ASN 52 CO 0.08 0.48 0.48 0.44 -1.29 0.00 0.00 177.43 177.63 2b88 h ASP 53 N 0.49 1.04 0.10 1.15 3.32 0.11 1.02 116.42 123.66 2b88 h ASP 53 Ca 0.13 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 2b88 h ASP 53 Cb 0.11 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2b88 h ASP 53 CO -0.02 0.82 -0.32 0.00 -1.72 0.00 0.00 179.24 178.01 2b88 h ALA 54 N 1.35 1.17 -0.13 3.45 0.00 -0.22 -2.00 119.26 122.87 2b88 h ALA 54 Ca 0.30 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2b88 h ALA 54 Cb -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2b88 h ALA 54 CO -0.05 0.54 0.00 1.04 0.00 0.00 0.00 179.25 180.78 2b88 n GLN 55 N -4.10 1.91 -2.34 0.00 6.02 0.13 -4.92 117.38 114.08 2b88 n GLN 55 Ca -0.01 -1.35 -0.26 0.00 -0.01 0.00 0.00 57.00 55.37 2b88 n GLN 55 Cb 0.42 -1.45 0.04 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.84 3.27 0.00 -1.58 0.00 0.33 -4.83 121.76 117.12 2b88 s ALA 56 Ca 0.34 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2b88 s ALA 56 Cb 0.20 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2b88 s ALA 56 CO 0.30 -0.93 1.38 -0.35 0.00 0.00 0.00 175.76 176.17 2b88 n PRO 57 N -2.67 0.98 0.00 0.00 -0.05 -1.26 -4.98 135.00 127.02 2b88 n PRO 57 Ca 0.05 0.00 0.13 0.00 -0.05 0.00 0.00 63.50 63.64 2b88 n PRO 57 Cb 0.58 -1.01 0.79 0.00 -0.05 0.00 0.00 33.50 33.81 2b88 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08