#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0t s ASP 2 N 0.00 6.77 -0.00 4.52 1.01 -1.26 -5.07 116.67 122.64 1h0t s ASP 2 Ca 0.00 0.92 -0.04 0.00 0.71 0.00 0.00 52.55 54.14 1h0t s ASP 2 Cb 0.00 -2.32 -0.00 0.00 1.01 0.00 0.00 42.92 41.60 1h0t s ASP 2 CO 0.00 -0.04 0.07 0.54 0.21 0.00 0.00 175.17 175.96 1h0t s ASN 3 N 0.68 0.07 0.00 0.27 2.20 -1.26 -5.12 114.94 111.78 1h0t s ASN 3 Ca 0.29 -0.21 0.00 0.00 -0.94 0.00 0.00 52.86 52.00 1h0t s ASN 3 Cb -0.16 0.17 0.00 0.00 -2.00 0.00 0.00 41.25 39.26 1h0t s ASN 3 CO 0.13 -0.27 0.00 1.17 -2.94 0.00 0.00 177.10 175.19 1h0t n LYS 4 N 1.87 0.00 0.25 3.55 4.81 -1.26 -4.52 118.16 122.86 1h0t n LYS 4 Ca -0.21 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.31 1h0t n LYS 4 Cb 0.56 -0.04 0.60 0.00 0.02 0.00 0.00 35.03 36.17 1h0t n LYS 4 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1h0t h PHE 5 N 0.00 0.00 0.38 5.64 0.04 -1.98 -0.90 116.94 120.13 1h0t h PHE 5 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1h0t h PHE 5 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1h0t h PHE 5 CO 0.00 0.05 -0.42 -0.97 -0.60 0.00 0.00 178.31 176.37 1h0t h ASN 6 N 0.00 -1.16 1.41 2.17 -0.73 -1.91 -1.90 115.58 113.45 1h0t h ASN 6 Ca -0.00 0.10 -0.12 0.00 1.87 0.00 0.00 56.30 58.15 1h0t h ASN 6 Cb 0.09 0.39 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 1h0t h ASN 6 CO 0.01 -0.56 -0.56 0.50 -0.37 0.00 0.00 177.43 176.44 1h0t h LYS 7 N -0.83 0.00 -0.85 6.67 3.64 -1.77 -3.14 116.57 120.28 1h0t h LYS 7 Ca -0.03 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1h0t h LYS 7 Cb 0.75 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 1h0t h LYS 7 CO -0.09 0.56 0.55 0.93 -2.27 0.00 0.00 179.45 179.14 1h0t h GLU 8 N 0.00 0.91 -0.57 1.90 4.39 -0.95 1.17 114.58 121.42 1h0t h GLU 8 Ca -0.01 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1h0t h GLU 8 Cb 1.42 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1h0t h GLU 8 CO 0.07 0.60 -0.05 1.96 -1.16 0.00 0.00 179.01 180.43 1h0t h GLN 9 N 0.94 1.05 -0.10 2.33 4.20 -1.36 0.46 115.11 122.62 1h0t h GLN 9 Ca 0.37 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1h0t h GLN 9 Cb 0.22 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1h0t h GLN 9 CO -0.13 1.05 0.04 0.37 -0.67 0.00 0.00 178.83 179.49 1h0t h GLN 10 N 0.94 0.16 -0.29 1.46 5.75 -0.46 0.48 115.11 123.15 1h0t h GLN 10 Ca 0.16 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 1h0t h GLN 10 Cb 0.62 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 1h0t h GLN 10 CO 0.04 0.28 -0.16 -0.97 -2.65 0.00 0.00 178.83 175.36 1h0t h ASN 11 N 0.00 0.65 -0.45 -0.69 -1.24 0.13 0.15 115.58 114.12 1h0t h ASN 11 Ca 0.03 -0.42 -0.05 0.00 0.71 0.00 0.00 56.30 56.58 1h0t h ASN 11 Cb 0.18 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1h0t h ASN 11 CO -0.00 0.92 0.10 0.00 -1.29 0.00 0.00 177.43 177.16 1h0t h ALA 12 N 0.74 0.59 0.49 1.57 0.00 -0.03 0.33 119.26 122.96 1h0t h ALA 12 Ca 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1h0t h ALA 12 Cb 0.69 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1h0t h ALA 12 CO 0.05 0.28 -0.32 0.35 0.00 0.00 0.00 179.25 179.61 1h0t h PHE 13 N 0.60 -0.85 -0.09 0.00 3.57 0.04 0.36 116.94 120.56 1h0t h PHE 13 Ca 0.14 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1h0t h PHE 13 Cb 0.33 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1h0t h PHE 13 CO 0.02 -0.49 -0.19 -0.92 -2.23 0.00 0.00 178.31 174.50 1h0t h TYR 14 N -0.78 -0.50 -0.69 0.41 3.20 -0.82 -0.92 116.97 116.88 1h0t h TYR 14 Ca -0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1h0t h TYR 14 Cb 0.65 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 1h0t h TYR 14 CO -0.11 -0.27 0.45 0.93 -1.64 0.00 0.00 178.16 177.52 1h0t h GLU 15 N -0.26 0.89 -0.41 1.82 4.39 -0.15 0.39 114.58 121.24 1h0t h GLU 15 Ca 0.08 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.80 1h0t h GLU 15 Cb 0.38 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 1h0t h GLU 15 CO -0.24 0.59 0.06 0.82 -1.16 0.00 0.00 179.01 179.08 1h0t h ILE 16 N 0.92 0.76 -0.40 3.13 2.04 0.31 0.57 117.51 124.84 1h0t h ILE 16 Ca 0.26 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.95 1h0t h ILE 16 Cb -0.08 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1h0t h ILE 16 CO -0.07 0.03 -0.20 -0.07 0.00 0.00 0.00 178.15 177.85 1h0t h LEU 17 N 0.18 0.79 -0.62 1.44 3.38 -0.45 -3.18 115.31 116.84 1h0t h LEU 17 Ca 0.20 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1h0t h LEU 17 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1h0t h LEU 17 CO -0.28 0.97 -0.14 1.41 0.09 0.00 0.00 178.44 180.49 1h0t n HIS 18 N -4.12 0.00 -2.02 1.13 8.25 0.13 -4.91 115.22 113.67 1h0t n HIS 18 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1h0t n HIS 18 Cb 0.42 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 1h0t n HIS 18 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1h0t s LEU 19 N -2.30 4.36 0.44 2.41 1.43 0.19 -4.89 118.68 120.32 1h0t s LEU 19 Ca 0.31 2.44 0.30 0.00 -1.03 0.00 0.00 54.13 56.15 1h0t s LEU 19 Cb 0.20 -3.58 1.41 0.00 0.03 0.00 0.00 46.19 44.25 1h0t s LEU 19 CO 0.44 -0.79 1.91 1.55 0.23 0.00 0.00 176.35 179.69 1h0t h PRO 20 N 7.48 0.00 -0.01 1.29 0.13 -1.91 -3.04 132.00 135.95 1h0t h PRO 20 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1h0t h PRO 20 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1h0t h PRO 20 CO 0.91 0.00 -0.04 0.09 -0.23 0.00 0.00 178.00 178.73 1h0t n ASN 21 N -2.66 1.65 -4.80 1.44 4.13 -1.26 -4.99 115.26 108.77 1h0t n ASN 21 Ca 0.00 -1.33 -0.38 0.00 1.68 0.00 0.00 54.58 54.55 1h0t n ASN 21 Cb 0.19 0.10 -0.06 0.00 -1.54 0.00 0.00 39.78 38.47 1h0t n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1h0t s LEU 22 N -0.96 4.48 0.00 3.41 1.43 -1.15 -4.77 118.68 121.12 1h0t s LEU 22 Ca 0.10 1.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 1h0t s LEU 22 Cb 0.08 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.91 1h0t s LEU 22 CO 0.14 0.14 0.14 -0.46 0.23 0.00 0.00 176.35 176.53 1h0t n ASN 23 N 1.22 1.88 -0.07 2.29 6.94 -1.26 -4.84 115.26 121.41 1h0t n ASN 23 Ca -0.05 -1.80 -0.01 0.00 -0.02 0.00 0.00 54.58 52.70 1h0t n ASN 23 Cb 0.50 0.01 0.25 0.00 -2.36 0.00 0.00 39.78 38.19 1h0t n ASN 23 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1h0t h GLU 24 N 0.00 0.69 -0.04 -3.83 4.11 -1.97 0.17 114.58 113.70 1h0t h GLU 24 Ca -0.15 -0.13 -0.00 0.00 0.07 0.00 0.00 59.36 59.15 1h0t h GLU 24 Cb 0.52 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1h0t h GLU 24 CO 0.24 0.63 0.01 1.49 0.07 0.00 0.00 179.01 181.45 1h0t h GLU 25 N 0.67 0.07 0.08 1.06 4.57 -1.98 -1.21 114.58 117.84 1h0t h GLU 25 Ca 0.15 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1h0t h GLU 25 Cb 0.26 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1h0t h GLU 25 CO -0.00 0.29 -0.04 1.96 -1.18 0.00 0.00 179.01 180.04 1h0t h GLN 26 N -0.16 -0.11 0.00 1.92 4.20 -1.92 -2.83 115.11 116.22 1h0t h GLN 26 Ca 0.01 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1h0t h GLN 26 Cb 0.25 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1h0t h GLN 26 CO 0.00 0.40 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.47 1h0t h ARG 27 N -0.69 -0.00 -0.55 1.46 2.43 -0.75 -2.18 114.38 114.10 1h0t h ARG 27 Ca -0.01 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1h0t h ARG 27 Cb 0.56 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1h0t h ARG 27 CO 0.02 0.06 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.51 1h0t h ASN 28 N -0.06 1.04 -0.62 -3.80 2.35 -1.36 -2.35 115.58 110.79 1h0t h ASN 28 Ca -0.00 -0.35 -0.02 0.00 -0.55 0.00 0.00 56.30 55.38 1h0t h ASN 28 Cb 0.06 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1h0t h ASN 28 CO 0.00 1.15 0.32 0.00 -1.65 0.00 0.00 177.43 177.25 1h0t h ALA 29 N 0.93 1.34 -0.63 -0.83 0.00 -1.49 -2.01 119.26 116.58 1h0t h ALA 29 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1h0t h ALA 29 Cb 0.68 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1h0t h ALA 29 CO 0.05 0.52 0.30 0.74 0.00 0.00 0.00 179.25 180.85 1h0t h PHE 30 N 0.91 0.91 0.00 0.00 0.04 -1.07 -0.76 116.94 116.97 1h0t h PHE 30 Ca 0.22 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 1h0t h PHE 30 Cb 0.08 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 1h0t h PHE 30 CO 0.01 0.69 -0.14 0.82 -0.60 0.00 0.00 178.31 179.09 1h0t h ILE 31 N 0.87 0.99 -0.07 -0.55 2.04 -0.88 0.67 117.51 120.58 1h0t h ILE 31 Ca 0.22 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1h0t h ILE 31 Cb 0.13 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1h0t h ILE 31 CO -0.03 0.14 -0.13 1.56 0.00 0.00 0.00 178.15 179.69 1h0t h GLN 32 N 0.00 0.20 0.00 2.37 1.08 -0.50 -0.33 115.11 117.94 1h0t h GLN 32 Ca -0.00 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 56.96 1h0t h GLN 32 Cb 0.26 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1h0t h GLN 32 CO 0.02 0.71 -0.53 0.66 -0.95 0.00 0.00 178.83 178.74 1h0t h SER 33 N -0.28 0.00 0.09 1.46 4.64 -0.79 -2.97 113.55 115.70 1h0t h SER 33 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1h0t h SER 33 Cb 0.70 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1h0t h SER 33 CO 0.03 0.53 -0.62 0.25 -0.87 0.00 0.00 176.83 176.14 1h0t h LEU 34 N 0.00 0.38 -0.77 5.97 5.85 0.35 -1.42 115.31 125.66 1h0t h LEU 34 Ca -0.01 -0.93 -0.10 0.00 0.84 0.00 0.00 57.88 57.68 1h0t h LEU 34 Cb 1.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1h0t h LEU 34 CO 0.07 1.28 -0.20 0.11 -0.34 0.00 0.00 178.44 179.37 1h0t h LYS 35 N -0.45 0.72 0.04 1.25 1.57 -1.13 -3.21 116.57 115.35 1h0t h LYS 35 Ca -0.10 -0.27 -0.27 0.00 -1.87 0.00 0.00 60.65 58.13 1h0t h LYS 35 Cb 1.46 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.70 1h0t h LYS 35 CO 0.12 0.86 -1.43 -0.44 -0.57 0.00 0.00 179.45 177.98 1h0t h ASP 36 N 0.63 0.12 -3.63 0.86 3.32 -1.65 -3.43 116.42 112.65 1h0t h ASP 36 Ca 0.09 -0.18 -0.67 0.00 0.02 0.00 0.00 57.03 56.29 1h0t h ASP 36 Cb 0.68 -0.04 -0.38 0.00 0.22 0.00 0.00 39.33 39.81 1h0t h ASP 36 CO 0.05 1.15 -0.66 -0.62 -1.72 0.00 0.00 179.24 177.44 1h0t s ASP 37 N -6.58 4.93 0.20 6.45 -1.08 -0.54 -4.97 116.67 115.09 1h0t s ASP 37 Ca -0.05 -2.13 -0.04 0.00 -0.52 0.00 0.00 52.55 49.81 1h0t s ASP 37 Cb 0.08 -1.70 0.15 0.00 -1.46 0.00 0.00 42.92 40.00 1h0t s ASP 37 CO 0.83 -0.43 1.58 1.55 0.52 0.00 0.00 175.17 179.21 1h0t h PRO 38 N 7.75 0.70 -0.60 4.34 0.13 -1.83 -3.21 132.00 139.29 1h0t h PRO 38 Ca -0.07 -0.34 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 1h0t h PRO 38 Cb 1.03 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1h0t h PRO 38 CO 0.58 0.95 0.11 0.77 -0.23 0.00 0.00 178.00 180.19 1h0t h SER 39 N 0.59 0.90 -0.08 1.44 0.02 -1.93 -2.56 113.55 111.93 1h0t h SER 39 Ca 0.06 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1h0t h SER 39 Cb 0.88 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1h0t h SER 39 CO 0.08 0.89 0.00 1.67 -1.14 0.00 0.00 176.83 178.33 1h0t n GLN 40 N -4.24 1.36 -0.17 3.45 -0.06 -1.23 -4.33 117.38 112.17 1h0t n GLN 40 Ca 0.04 -0.54 -0.04 0.00 -2.00 0.00 0.00 57.00 54.46 1h0t n GLN 40 Cb 0.26 -1.34 0.06 0.00 -4.06 0.00 0.00 30.24 25.15 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1h0t h SER 41 N 1.10 0.32 -0.36 1.69 4.64 -1.45 0.63 113.55 120.12 1h0t h SER 41 Ca 0.00 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1h0t h SER 41 Cb 0.24 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1h0t h SER 41 CO 0.00 0.22 0.11 0.00 -0.87 0.00 0.00 176.83 176.30 1h0t h ALA 42 N 1.29 0.47 -0.69 5.18 0.00 -1.80 -0.60 119.26 123.11 1h0t h ALA 42 Ca 0.23 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1h0t h ALA 42 Cb 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1h0t h ALA 42 CO -0.18 0.11 0.45 -0.91 0.00 0.00 0.00 179.25 178.72 1h0t h ASN 43 N 0.43 0.64 -0.52 0.00 -0.26 -1.67 0.38 115.58 114.58 1h0t h ASN 43 Ca 0.12 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.78 1h0t h ASN 43 Cb 0.25 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 1h0t h ASN 43 CO -0.00 0.42 0.04 -0.07 -1.06 0.00 0.00 177.43 176.75 1h0t h LEU 44 N 0.73 0.87 -0.28 1.61 3.38 0.11 0.76 115.31 122.49 1h0t h LEU 44 Ca 0.29 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1h0t h LEU 44 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1h0t h LEU 44 CO -0.09 0.94 -0.23 0.25 0.09 0.00 0.00 178.44 179.39 1h0t h LEU 45 N 0.77 0.70 -0.62 1.67 5.85 -0.04 0.36 115.31 124.00 1h0t h LEU 45 Ca 0.15 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.46 1h0t h LEU 45 Cb 0.47 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1h0t h LEU 45 CO 0.02 1.01 0.35 0.00 -0.34 0.00 0.00 178.44 179.48 1h0t h ALA 46 N 0.71 0.82 -0.17 1.25 0.00 0.15 0.94 119.26 122.97 1h0t h ALA 46 Ca 0.05 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1h0t h ALA 46 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1h0t h ALA 46 CO 0.06 0.04 -0.56 1.05 0.00 0.00 0.00 179.25 179.85 1h0t h GLU 47 N 0.67 0.52 -0.51 0.00 4.11 0.67 0.89 114.58 120.92 1h0t h GLU 47 Ca 0.27 -0.33 -0.08 0.00 0.07 0.00 0.00 59.36 59.28 1h0t h GLU 47 Cb 0.13 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1h0t h GLU 47 CO -0.15 0.94 -0.02 0.00 0.07 0.00 0.00 179.01 179.84 1h0t h ALA 48 N 0.99 1.00 -0.08 1.06 0.00 0.67 0.53 119.26 123.43 1h0t h ALA 48 Ca 0.01 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 1h0t h ALA 48 Cb 1.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1h0t h ALA 48 CO 0.10 0.61 -0.75 0.87 0.00 0.00 0.00 179.25 180.08 1h0t h LYS 49 N 0.81 0.43 -0.89 0.00 1.57 0.12 0.77 116.57 119.38 1h0t h LYS 49 Ca 0.15 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1h0t h LYS 49 Cb 0.51 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1h0t h LYS 49 CO 0.03 1.00 0.48 -0.22 -0.57 0.00 0.00 179.45 180.17 1h0t h LYS 50 N 0.29 1.25 -0.28 3.15 3.64 0.13 -1.01 116.57 123.74 1h0t h LYS 50 Ca -0.04 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 59.04 1h0t h LYS 50 Cb 1.33 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1h0t h LYS 50 CO 0.13 0.92 -0.43 -0.07 -2.27 0.00 0.00 179.45 177.72 1h0t h LEU 51 N 1.25 0.75 -0.75 5.20 4.07 0.39 0.82 115.31 127.04 1h0t h LEU 51 Ca 0.31 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1h0t h LEU 51 Cb 0.04 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.53 1h0t h LEU 51 CO -0.05 1.08 0.49 -1.13 -1.08 0.00 0.00 178.44 177.75 1h0t h ASN 52 N 0.57 0.88 0.16 -0.43 -1.24 0.11 -1.19 115.58 114.43 1h0t h ASN 52 Ca 0.04 -0.03 -0.36 0.00 0.71 0.00 0.00 56.30 56.66 1h0t h ASN 52 Cb 0.98 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.80 1h0t h ASN 52 CO 0.09 0.65 -1.92 0.44 -1.29 0.00 0.00 177.43 175.40 1h0t h ASP 53 N 1.02 0.46 -0.38 1.15 3.32 -1.18 -3.01 116.42 117.80 1h0t h ASP 53 Ca 0.27 -0.92 -0.05 0.00 0.02 0.00 0.00 57.03 56.36 1h0t h ASP 53 Cb -0.09 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1h0t h ASP 53 CO -0.06 1.81 0.05 0.00 -1.72 0.00 0.00 179.24 179.32 1h0t h ALA 54 N 0.12 0.51 -0.48 3.45 0.00 -0.86 -2.82 119.26 119.17 1h0t h ALA 54 Ca -0.40 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1h0t h ALA 54 Cb 2.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1h0t h ALA 54 CO 0.11 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.63 1h0t n GLN 55 N -4.53 2.16 -1.71 0.00 6.02 -0.45 -4.96 117.38 113.91 1h0t n GLN 55 Ca -0.01 -1.75 -0.32 0.00 -0.01 0.00 0.00 57.00 54.91 1h0t n GLN 55 Cb 0.24 -1.39 0.04 0.00 1.02 0.00 0.00 30.24 30.15 1h0t n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h0t s ALA 56 N -1.37 2.63 0.28 -1.58 0.00 -1.07 -4.97 121.76 115.69 1h0t s ALA 56 Ca 0.32 0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.63 1h0t s ALA 56 Cb 0.17 -3.22 0.39 0.00 0.00 0.00 0.00 23.12 20.46 1h0t s ALA 56 CO 0.22 -1.15 1.63 -1.00 0.00 0.00 0.00 175.76 175.47 1h0t h PRO 57 N -0.30 0.05 0.00 0.00 0.13 -1.88 -3.49 132.00 126.50 1h0t h PRO 57 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1h0t h PRO 57 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1h0t h PRO 57 CO 0.56 0.61 0.00 1.63 -0.23 0.00 0.00 178.00 180.57