#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0t n ASP 2 N 0.00 1.99 -4.78 4.52 5.75 -1.26 -5.13 116.55 117.64 1h0t n ASP 2 Ca 0.00 -0.87 -0.34 0.00 -0.01 0.00 0.00 54.79 53.56 1h0t n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1h0t n ASP 2 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1h0t s ASN 3 N -0.75 5.75 0.00 -1.12 0.01 -1.26 -5.03 114.94 112.55 1h0t s ASN 3 Ca 0.00 2.09 0.00 0.00 -0.71 0.00 0.00 52.86 54.24 1h0t s ASN 3 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1h0t s ASN 3 CO 0.00 -1.19 0.00 1.17 -1.51 0.00 0.00 177.10 175.57 1h0t n LYS 4 N -1.43 0.00 0.10 -0.60 4.81 -1.26 -3.81 118.16 115.96 1h0t n LYS 4 Ca 0.11 0.23 -0.02 0.00 -0.87 0.00 0.00 58.31 57.76 1h0t n LYS 4 Cb 0.51 -0.73 0.21 0.00 0.02 0.00 0.00 35.03 35.05 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 0.27 -0.33 5.64 0.04 -1.95 -2.22 116.94 118.39 1h0t h PHE 5 Ca 0.00 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.73 1h0t h PHE 5 Cb 0.00 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 1h0t h PHE 5 CO 0.00 0.63 0.13 -0.91 -0.60 0.00 0.00 178.31 177.56 1h0t h ASN 6 N 0.19 0.16 0.76 2.17 4.21 -1.92 0.21 115.58 121.36 1h0t h ASN 6 Ca 0.01 0.03 -0.12 0.00 1.21 0.00 0.00 56.30 57.43 1h0t h ASN 6 Cb 0.85 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.04 1h0t h ASN 6 CO 0.07 0.13 -0.57 0.50 -1.29 0.00 0.00 177.43 176.27 1h0t h LYS 7 N 0.28 0.00 -0.09 0.81 1.63 -1.65 0.11 116.57 117.67 1h0t h LYS 7 Ca 0.15 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1h0t h LYS 7 Cb 0.10 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1h0t h LYS 7 CO -0.13 0.57 0.01 0.93 -3.45 0.00 0.00 179.45 177.38 1h0t h GLU 8 N 0.00 0.15 -0.71 1.90 5.08 -0.73 0.87 114.58 121.15 1h0t h GLU 8 Ca -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1h0t h GLU 8 Cb 1.10 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1h0t h GLU 8 CO 0.07 0.36 0.29 1.96 -1.00 0.00 0.00 179.01 180.69 1h0t h GLN 9 N -0.09 1.04 -0.48 2.33 4.20 -0.54 0.47 115.11 122.03 1h0t h GLN 9 Ca 0.03 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1h0t h GLN 9 Cb 0.29 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1h0t h GLN 9 CO 0.00 0.84 0.22 0.37 -0.67 0.00 0.00 178.83 179.60 1h0t h GLN 10 N 1.02 0.69 -0.08 1.46 5.75 -0.20 0.83 115.11 124.59 1h0t h GLN 10 Ca 0.24 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1h0t h GLN 10 Cb 0.19 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 1h0t h GLN 10 CO -0.02 0.59 -0.08 -0.97 -2.65 0.00 0.00 178.83 175.70 1h0t h ASN 11 N 0.63 0.20 -0.82 -0.69 -1.24 0.13 0.47 115.58 114.26 1h0t h ASN 11 Ca 0.16 -0.49 -0.03 0.00 0.71 0.00 0.00 56.30 56.66 1h0t h ASN 11 Cb 0.13 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.08 1h0t h ASN 11 CO -0.02 0.65 0.39 0.00 -1.29 0.00 0.00 177.43 177.16 1h0t h ALA 12 N 0.56 1.06 0.84 1.57 0.00 0.03 0.38 119.26 123.70 1h0t h ALA 12 Ca 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1h0t h ALA 12 Cb 0.59 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1h0t h ALA 12 CO 0.02 0.63 -0.40 0.35 0.00 0.00 0.00 179.25 179.84 1h0t h PHE 13 N 1.17 -1.04 -0.21 0.00 3.57 0.75 0.31 116.94 121.49 1h0t h PHE 13 Ca 0.28 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.81 1h0t h PHE 13 Cb 0.12 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 1h0t h PHE 13 CO 0.01 -0.64 -0.16 -0.92 -2.23 0.00 0.00 178.31 174.37 1h0t h TYR 14 N -1.15 -0.41 -0.74 0.41 3.20 -0.68 -0.56 116.97 117.04 1h0t h TYR 14 Ca -0.12 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.80 1h0t h TYR 14 Cb 0.87 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 1h0t h TYR 14 CO -0.01 -0.24 0.49 0.93 -1.64 0.00 0.00 178.16 177.69 1h0t h GLU 15 N -0.16 0.95 -0.50 1.82 4.39 -0.14 0.52 114.58 121.45 1h0t h GLU 15 Ca 0.13 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.83 1h0t h GLU 15 Cb 0.35 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 1h0t h GLU 15 CO -0.31 0.63 0.19 0.82 -1.16 0.00 0.00 179.01 179.18 1h0t h ILE 16 N 0.98 0.85 -0.28 3.13 2.04 0.49 0.48 117.51 125.20 1h0t h ILE 16 Ca 0.28 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.89 1h0t h ILE 16 Cb -0.08 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1h0t h ILE 16 CO -0.07 0.07 -0.32 -0.07 0.00 0.00 0.00 178.15 177.76 1h0t h LEU 17 N 0.38 0.60 -1.56 1.44 3.38 -0.25 -3.05 115.31 116.25 1h0t h LEU 17 Ca 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h0t h LEU 17 Cb 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1h0t h LEU 17 CO -0.23 0.88 0.00 1.41 0.09 0.00 0.00 178.44 180.59 1h0t n HIS 18 N -4.07 0.52 -2.39 1.13 8.25 0.17 -4.95 115.22 113.88 1h0t n HIS 18 Ca -0.01 -0.26 -0.36 0.00 -0.26 0.00 0.00 57.72 56.83 1h0t n HIS 18 Cb 0.46 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.12 3.97 0.44 2.41 1.43 0.16 -4.96 118.68 121.00 1h0t s LEU 19 Ca 0.30 2.14 0.23 0.00 -1.03 0.00 0.00 54.13 55.77 1h0t s LEU 19 Cb 0.16 -4.35 0.97 0.00 0.03 0.00 0.00 46.19 43.01 1h0t s LEU 19 CO 0.22 -0.83 1.86 1.55 0.23 0.00 0.00 176.35 179.37 1h0t h PRO 20 N 1.93 0.00 0.00 1.29 0.13 -1.91 -3.33 132.00 130.10 1h0t h PRO 20 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1h0t h PRO 20 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h0t h PRO 20 CO 0.60 0.25 -0.07 0.09 -0.23 0.00 0.00 178.00 178.63 1h0t n ASN 21 N -3.53 1.45 -4.77 1.44 3.02 -1.26 -5.04 115.26 106.57 1h0t n ASN 21 Ca -0.01 -2.14 -0.39 0.00 -0.03 0.00 0.00 54.58 52.01 1h0t n ASN 21 Cb 0.40 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 1h0t n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h0t s LEU 22 N -1.23 4.47 0.00 3.41 1.43 -1.25 -4.78 118.68 120.73 1h0t s LEU 22 Ca 0.10 1.33 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 1h0t s LEU 22 Cb 0.08 -3.05 0.01 0.00 0.03 0.00 0.00 46.19 43.26 1h0t s LEU 22 CO 0.01 0.13 0.05 -0.46 0.23 0.00 0.00 176.35 176.31 1h0t n ASN 23 N 2.38 1.55 -0.20 2.29 6.94 -1.26 -4.80 115.26 122.17 1h0t n ASN 23 Ca -0.06 -1.33 0.04 0.00 -0.02 0.00 0.00 54.58 53.21 1h0t n ASN 23 Cb 0.50 0.01 0.31 0.00 -2.36 0.00 0.00 39.78 38.25 1h0t n ASN 23 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1h0t h GLU 24 N 0.00 0.83 0.12 -3.83 4.57 -1.98 0.11 114.58 114.39 1h0t h GLU 24 Ca -0.06 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1h0t h GLU 24 Cb 0.21 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1h0t h GLU 24 CO 0.10 0.55 -0.06 1.49 -1.18 0.00 0.00 179.01 179.91 1h0t h GLU 25 N 0.85 -0.15 0.14 1.92 4.81 -1.99 -2.70 114.58 117.46 1h0t h GLU 25 Ca 0.30 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1h0t h GLU 25 Cb 0.12 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1h0t h GLU 25 CO -0.09 0.33 -0.07 1.96 -0.73 0.00 0.00 179.01 180.41 1h0t h GLN 26 N -0.75 -0.18 -0.46 1.92 4.20 -1.91 -2.61 115.11 115.31 1h0t h GLN 26 Ca -0.02 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1h0t h GLN 26 Cb 0.55 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1h0t h GLN 26 CO 0.03 0.20 0.26 -0.09 -0.67 0.00 0.00 178.83 178.55 1h0t h ARG 27 N -0.61 0.49 -0.01 1.46 2.43 -0.95 -0.94 114.38 116.27 1h0t h ARG 27 Ca -0.02 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1h0t h ARG 27 Cb 0.47 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1h0t h ARG 27 CO 0.03 0.33 0.00 -0.97 -1.51 0.00 0.00 179.97 177.85 1h0t h ASN 28 N 0.51 0.01 -0.57 -3.80 -1.24 -1.56 0.04 115.58 108.97 1h0t h ASN 28 Ca 0.19 -0.28 0.05 0.00 0.71 0.00 0.00 56.30 56.98 1h0t h ASN 28 Cb 0.06 -0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 1h0t h ASN 28 CO -0.11 0.28 0.38 0.00 -1.29 0.00 0.00 177.43 176.69 1h0t h ALA 29 N 0.73 1.80 -0.25 1.57 0.00 -1.41 0.19 119.26 121.88 1h0t h ALA 29 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1h0t h ALA 29 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h0t h ALA 29 CO 0.00 0.12 -0.02 0.74 0.00 0.00 0.00 179.25 180.09 1h0t h PHE 30 N 0.58 0.50 0.00 0.00 -1.00 -0.88 -0.99 116.94 115.15 1h0t h PHE 30 Ca 0.24 -0.09 -0.03 0.00 2.81 0.00 0.00 57.97 60.90 1h0t h PHE 30 Cb 0.22 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.65 1h0t h PHE 30 CO -0.00 0.64 -0.12 0.82 -1.61 0.00 0.00 178.31 178.04 1h0t h ILE 31 N 0.22 0.86 -0.03 -0.55 2.04 0.44 0.56 117.51 121.06 1h0t h ILE 31 Ca 0.07 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1h0t h ILE 31 Cb 0.45 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1h0t h ILE 31 CO 0.02 0.12 -0.06 1.56 0.00 0.00 0.00 178.15 179.79 1h0t h GLN 32 N 0.00 0.09 0.00 2.37 4.20 -0.05 0.30 115.11 122.02 1h0t h GLN 32 Ca -0.00 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1h0t h GLN 32 Cb 0.25 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1h0t h GLN 32 CO 0.02 0.64 -0.33 0.66 -0.67 0.00 0.00 178.83 179.14 1h0t h SER 33 N -0.44 0.00 0.04 1.46 4.64 -0.70 -1.91 113.55 116.63 1h0t h SER 33 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1h0t h SER 33 Cb 0.63 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1h0t h SER 33 CO 0.01 0.33 -0.35 0.25 -0.87 0.00 0.00 176.83 176.20 1h0t h LEU 34 N 0.00 0.23 -0.66 5.97 5.85 0.16 -1.12 115.31 125.74 1h0t h LEU 34 Ca -0.00 -0.91 -0.14 0.00 0.84 0.00 0.00 57.88 57.66 1h0t h LEU 34 Cb 0.67 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1h0t h LEU 34 CO 0.04 1.12 -0.53 0.11 -0.34 0.00 0.00 178.44 178.84 1h0t h LYS 35 N -0.62 0.38 0.13 1.25 1.57 -0.95 -3.20 116.57 115.12 1h0t h LYS 35 Ca -0.06 -0.23 -0.29 0.00 -1.87 0.00 0.00 60.65 58.21 1h0t h LYS 35 Cb 1.21 0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.57 1h0t h LYS 35 CO 0.07 0.82 -1.24 -0.44 -0.57 0.00 0.00 179.45 178.08 1h0t h ASP 36 N 0.29 0.69 -3.68 0.86 3.32 -1.47 -3.42 116.42 113.02 1h0t h ASP 36 Ca 0.01 -0.67 -0.68 0.00 0.02 0.00 0.00 57.03 55.72 1h0t h ASP 36 Cb 1.03 -0.22 -0.36 0.00 0.22 0.00 0.00 39.33 40.00 1h0t h ASP 36 CO 0.09 1.49 -0.68 -0.62 -1.72 0.00 0.00 179.24 177.80 1h0t s ASP 37 N -7.32 4.89 0.12 6.45 -1.08 -0.42 -4.99 116.67 114.31 1h0t s ASP 37 Ca -0.07 -1.82 -0.13 0.00 -0.52 0.00 0.00 52.55 50.01 1h0t s ASP 37 Cb 0.06 -1.69 -0.05 0.00 -1.46 0.00 0.00 42.92 39.78 1h0t s ASP 37 CO 0.91 -0.37 1.48 1.55 0.52 0.00 0.00 175.17 179.26 1h0t h PRO 38 N 7.84 0.82 -0.23 4.34 0.13 -1.82 -3.24 132.00 139.84 1h0t h PRO 38 Ca -0.12 -0.38 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 1h0t h PRO 38 Cb 1.04 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1h0t h PRO 38 CO 0.56 1.02 -0.13 0.77 -0.23 0.00 0.00 178.00 179.99 1h0t h SER 39 N 0.61 0.37 0.00 1.44 0.02 -1.93 -2.61 113.55 111.45 1h0t h SER 39 Ca 0.07 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1h0t h SER 39 Cb 0.81 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1h0t h SER 39 CO 0.07 0.53 0.00 1.67 -1.14 0.00 0.00 176.83 177.95 1h0t n GLN 40 N -4.23 0.99 -0.09 3.45 7.27 -1.22 -4.28 117.38 119.27 1h0t n GLN 40 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1h0t n GLN 40 Cb 0.30 -1.49 0.01 0.00 2.41 0.00 0.00 30.24 31.47 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1h0t h SER 41 N 0.00 -0.15 -0.31 1.69 4.64 -1.52 0.50 113.55 118.40 1h0t h SER 41 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1h0t h SER 41 Cb 0.00 0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1h0t h SER 41 CO 0.00 -0.04 0.20 0.00 -0.87 0.00 0.00 176.83 176.12 1h0t h ALA 42 N 1.30 0.39 -0.74 5.18 0.00 -1.82 0.69 119.26 124.24 1h0t h ALA 42 Ca 0.16 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1h0t h ALA 42 Cb 0.22 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1h0t h ALA 42 CO -0.28 -0.13 0.49 -0.91 0.00 0.00 0.00 179.25 178.42 1h0t h ASN 43 N 0.41 0.67 -0.44 0.00 4.21 -1.69 0.37 115.58 119.11 1h0t h ASN 43 Ca 0.11 0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.56 1h0t h ASN 43 Cb -0.03 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.02 1h0t h ASN 43 CO -0.02 0.43 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.46 1h0t h LEU 44 N 0.76 0.77 -0.33 1.61 3.38 0.13 0.62 115.31 122.25 1h0t h LEU 44 Ca 0.33 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1h0t h LEU 44 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1h0t h LEU 44 CO -0.11 0.90 -0.16 0.25 0.09 0.00 0.00 178.44 179.40 1h0t h LEU 45 N 0.63 0.71 -0.53 1.67 5.85 0.22 0.37 115.31 124.22 1h0t h LEU 45 Ca 0.12 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1h0t h LEU 45 Cb 0.50 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1h0t h LEU 45 CO 0.02 0.96 0.27 0.00 -0.34 0.00 0.00 178.44 179.35 1h0t h ALA 46 N 0.77 0.68 -0.18 1.25 0.00 0.05 0.84 119.26 122.67 1h0t h ALA 46 Ca 0.07 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1h0t h ALA 46 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1h0t h ALA 46 CO 0.05 -0.08 -0.45 1.05 0.00 0.00 0.00 179.25 179.81 1h0t h GLU 47 N 0.51 0.45 -0.59 0.00 4.11 0.40 0.82 114.58 120.29 1h0t h GLU 47 Ca 0.24 -0.24 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 1h0t h GLU 47 Cb 0.16 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1h0t h GLU 47 CO -0.17 0.82 0.01 0.00 0.07 0.00 0.00 179.01 179.74 1h0t h ALA 48 N 1.15 0.90 -0.31 1.06 0.00 0.90 0.72 119.26 123.68 1h0t h ALA 48 Ca 0.03 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1h0t h ALA 48 Cb 0.94 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1h0t h ALA 48 CO 0.08 0.65 -0.44 0.87 0.00 0.00 0.00 179.25 180.42 1h0t h LYS 49 N 0.94 0.80 -0.75 0.00 1.57 0.10 0.27 116.57 119.50 1h0t h LYS 49 Ca 0.17 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1h0t h LYS 49 Cb 0.53 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1h0t h LYS 49 CO 0.03 1.07 0.41 -0.22 -0.57 0.00 0.00 179.45 180.17 1h0t h LYS 50 N 0.64 1.04 -0.19 3.15 3.64 0.12 -1.77 116.57 123.20 1h0t h LYS 50 Ca 0.04 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 59.13 1h0t h LYS 50 Cb 1.01 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1h0t h LYS 50 CO 0.10 0.77 -0.61 -0.07 -2.27 0.00 0.00 179.45 177.36 1h0t h LEU 51 N 1.05 0.74 -1.03 5.20 4.07 0.11 0.42 115.31 125.87 1h0t h LEU 51 Ca 0.27 -0.42 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 1h0t h LEU 51 Cb 0.02 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.51 1h0t h LEU 51 CO -0.04 1.17 0.56 -0.55 -1.08 0.00 0.00 178.44 178.50 1h0t h ASN 52 N 0.48 1.08 0.18 -0.43 -1.07 0.34 0.10 115.58 116.27 1h0t h ASN 52 Ca -0.01 -0.06 -0.36 0.00 0.07 0.00 0.00 56.30 55.95 1h0t h ASN 52 Cb 1.19 -0.27 -0.00 0.00 -2.07 0.00 0.00 38.32 37.17 1h0t h ASN 52 CO 0.12 0.82 -1.84 0.44 0.07 0.00 0.00 177.43 177.04 1h0t h ASP 53 N 1.25 0.54 -0.35 6.14 3.32 -1.35 -2.85 116.42 123.12 1h0t h ASP 53 Ca 0.33 -0.93 -0.07 0.00 0.02 0.00 0.00 57.03 56.38 1h0t h ASP 53 Cb -0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1h0t h ASP 53 CO -0.06 1.80 -0.05 0.00 -1.72 0.00 0.00 179.24 179.21 1h0t h ALA 54 N 0.12 0.48 -0.37 3.45 0.00 -0.86 -2.81 119.26 119.27 1h0t h ALA 54 Ca -0.37 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1h0t h ALA 54 Cb 2.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1h0t h ALA 54 CO 0.15 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.74 1h0t n GLN 55 N -4.44 1.91 -1.52 0.00 6.02 0.36 -4.95 117.38 114.75 1h0t n GLN 55 Ca -0.02 -1.40 -0.32 0.00 -0.01 0.00 0.00 57.00 55.25 1h0t n GLN 55 Cb 0.31 -1.32 0.07 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.51 2.34 0.19 -1.58 0.00 -1.06 -4.96 121.76 115.18 1h0t s ALA 56 Ca 0.27 0.46 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 1h0t s ALA 56 Cb 0.14 -3.31 0.12 0.00 0.00 0.00 0.00 23.12 20.07 1h0t s ALA 56 CO 0.19 -1.54 1.53 -1.00 0.00 0.00 0.00 175.76 174.94 1h0t h PRO 57 N -0.48 0.64 0.00 0.00 0.13 -1.89 -3.50 132.00 126.90 1h0t h PRO 57 Ca -0.45 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1h0t h PRO 57 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1h0t h PRO 57 CO 0.52 0.97 0.00 0.36 -0.23 0.00 0.00 178.00 179.62