#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 6.54 -0.07 -1.34 2.15 -1.26 -4.88 116.67 117.81 1h0t s ASP 2 Ca 0.00 0.26 0.11 0.00 0.43 0.00 0.00 52.55 53.34 1h0t s ASP 2 Cb 0.00 -2.43 0.19 0.00 -0.30 0.00 0.00 42.92 40.38 1h0t s ASP 2 CO 0.00 -0.89 1.11 0.59 -0.17 0.00 0.00 175.17 175.81 1h0t n ASN 3 N 6.79 2.33 -0.17 -0.34 3.02 -1.26 -4.74 115.26 120.89 1h0t n ASN 3 Ca 0.05 -2.59 -0.06 0.00 -0.03 0.00 0.00 54.58 51.95 1h0t n ASN 3 Cb 0.48 -0.25 0.11 0.00 -0.61 0.00 0.00 39.78 39.51 1h0t n ASN 3 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1h0t h LYS 4 N 0.21 0.94 -0.27 3.52 2.10 -2.02 -2.89 116.57 118.17 1h0t h LYS 4 Ca 0.00 -0.24 0.08 0.00 -2.00 0.00 0.00 60.65 58.48 1h0t h LYS 4 Cb 0.81 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 1h0t h LYS 4 CO 0.01 0.89 0.20 0.74 -2.00 0.00 0.00 179.45 179.29 1h0t h PHE 5 N 0.89 0.00 -0.48 0.07 0.04 -1.91 -1.01 116.94 114.53 1h0t h PHE 5 Ca 0.18 0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.02 1h0t h PHE 5 Cb 0.43 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.51 1h0t h PHE 5 CO 0.03 0.00 0.13 -0.91 -0.60 0.00 0.00 178.31 176.96 1h0t h ASN 6 N 0.00 0.08 0.40 2.17 4.21 -1.87 -2.16 115.58 118.41 1h0t h ASN 6 Ca 0.13 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1h0t h ASN 6 Cb 0.52 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1h0t h ASN 6 CO -0.00 0.07 -0.86 1.17 -1.29 0.00 0.00 177.43 176.52 1h0t n LYS 7 N -5.06 0.16 -0.20 0.81 0.00 -0.94 -3.67 118.16 109.27 1h0t n LYS 7 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.26 1h0t n LYS 7 Cb 0.22 -1.56 0.02 0.00 0.00 0.00 0.00 35.03 33.71 1h0t n LYS 7 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1h0t h GLU 8 N 0.00 1.06 -0.61 1.64 4.39 -0.66 0.74 114.58 121.14 1h0t h GLU 8 Ca 0.00 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.27 1h0t h GLU 8 Cb 0.63 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1h0t h GLU 8 CO 0.00 1.08 0.17 1.96 -1.16 0.00 0.00 179.01 181.06 1h0t h GLN 9 N 0.94 0.94 -0.13 2.33 4.20 -1.55 0.54 115.11 122.39 1h0t h GLN 9 Ca 0.15 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1h0t h GLN 9 Cb 0.66 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1h0t h GLN 9 CO 0.05 0.83 0.02 0.37 -0.67 0.00 0.00 178.83 179.43 1h0t h GLN 10 N 0.91 0.21 -0.23 1.46 5.75 -1.36 0.44 115.11 122.29 1h0t h GLN 10 Ca 0.20 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1h0t h GLN 10 Cb 0.30 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1h0t h GLN 10 CO -0.00 0.39 -0.14 -0.97 -2.65 0.00 0.00 178.83 175.45 1h0t h ASN 11 N -0.01 0.53 -0.58 -0.69 -1.24 0.73 0.07 115.58 114.39 1h0t h ASN 11 Ca 0.04 -0.43 -0.04 0.00 0.71 0.00 0.00 56.30 56.58 1h0t h ASN 11 Cb 0.28 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 1h0t h ASN 11 CO 0.00 0.84 0.20 0.00 -1.29 0.00 0.00 177.43 177.19 1h0t h ALA 12 N 0.70 0.76 0.52 1.57 0.00 0.10 0.38 119.26 123.28 1h0t h ALA 12 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1h0t h ALA 12 Cb 0.66 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h0t h ALA 12 CO 0.04 0.41 -0.30 0.35 0.00 0.00 0.00 179.25 179.75 1h0t h PHE 13 N 0.81 -0.78 0.05 0.00 3.57 -0.03 0.29 116.94 120.85 1h0t h PHE 13 Ca 0.19 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1h0t h PHE 13 Cb 0.25 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1h0t h PHE 13 CO 0.01 -0.46 -0.19 -0.92 -2.23 0.00 0.00 178.31 174.52 1h0t h TYR 14 N -0.76 -0.50 -0.87 0.41 3.20 -0.78 -0.90 116.97 116.76 1h0t h TYR 14 Ca -0.06 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.87 1h0t h TYR 14 Cb 0.61 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 1h0t h TYR 14 CO -0.08 -0.27 0.55 0.93 -1.64 0.00 0.00 178.16 177.64 1h0t h GLU 15 N -0.34 1.00 0.07 1.82 4.39 -0.12 0.38 114.58 121.78 1h0t h GLU 15 Ca 0.04 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.70 1h0t h GLU 15 Cb 0.38 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1h0t h GLU 15 CO -0.14 0.66 -0.21 0.82 -1.16 0.00 0.00 179.01 178.98 1h0t h ILE 16 N 1.03 0.53 -0.66 3.13 2.04 0.18 0.69 117.51 124.43 1h0t h ILE 16 Ca 0.37 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.20 1h0t h ILE 16 Cb 0.11 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1h0t h ILE 16 CO -0.15 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.25 1h0t h LEU 17 N -0.37 0.84 -0.94 1.44 3.38 -0.39 -2.67 115.31 116.60 1h0t h LEU 17 Ca 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1h0t h LEU 17 Cb 0.41 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1h0t h LEU 17 CO -0.14 0.71 0.00 1.41 0.09 0.00 0.00 178.44 180.51 1h0t n HIS 18 N -4.35 0.04 -2.09 1.13 8.25 0.13 -4.91 115.22 113.42 1h0t n HIS 18 Ca 0.06 -0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 1h0t n HIS 18 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.92 4.33 0.31 2.41 1.43 0.23 -4.89 118.68 120.57 1h0t s LEU 19 Ca 0.37 2.24 0.24 0.00 -1.03 0.00 0.00 54.13 55.95 1h0t s LEU 19 Cb 0.20 -3.55 1.11 0.00 0.03 0.00 0.00 46.19 43.98 1h0t s LEU 19 CO 0.32 -0.83 1.72 1.55 0.23 0.00 0.00 176.35 179.35 1h0t h PRO 20 N 8.45 0.00 0.00 1.29 0.13 -1.90 -3.07 132.00 136.90 1h0t h PRO 20 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1h0t h PRO 20 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1h0t h PRO 20 CO 0.93 0.00 -0.01 0.09 -0.23 0.00 0.00 178.00 178.77 1h0t n ASN 21 N -2.31 1.93 -4.71 1.44 3.02 -1.26 -5.01 115.26 108.37 1h0t n ASN 21 Ca 0.01 -2.26 -0.39 0.00 -0.03 0.00 0.00 54.58 51.90 1h0t n ASN 21 Cb 0.16 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.47 4.27 0.80 3.41 1.43 -1.16 -4.56 118.68 121.39 1h0t s LEU 22 Ca 0.09 0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 54.10 1h0t s LEU 22 Cb 0.08 -2.87 0.16 0.00 0.03 0.00 0.00 46.19 43.59 1h0t s LEU 22 CO 0.01 -0.09 1.10 0.54 0.23 0.00 0.00 176.35 178.13 1h0t s ASN 23 N 0.80 3.92 0.27 2.29 2.20 -1.26 -4.71 114.94 118.45 1h0t s ASN 23 Ca 0.31 -0.28 -0.03 0.00 -0.94 0.00 0.00 52.86 51.93 1h0t s ASN 23 Cb -0.16 0.04 0.36 0.00 -2.00 0.00 0.00 41.25 39.49 1h0t s ASN 23 CO 0.13 -2.16 1.83 -0.33 -2.94 0.00 0.00 177.10 173.63 1h0t h GLU 24 N -0.86 0.93 -0.53 3.55 3.07 -1.97 0.24 114.58 119.00 1h0t h GLU 24 Ca -0.37 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.36 58.27 1h0t h GLU 24 Cb 1.25 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 1h0t h GLU 24 CO 0.37 0.79 0.14 1.49 -1.40 0.00 0.00 179.01 180.40 1h0t h GLU 25 N 0.91 0.84 0.14 2.33 4.81 -1.98 -0.19 114.58 121.44 1h0t h GLU 25 Ca 0.21 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1h0t h GLU 25 Cb 0.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1h0t h GLU 25 CO -0.01 0.79 -0.07 1.96 -0.73 0.00 0.00 179.01 180.95 1h0t h GLN 26 N 0.74 -0.18 -0.80 1.92 7.50 -1.86 -2.70 115.11 119.73 1h0t h GLN 26 Ca 0.17 0.01 0.04 0.00 0.50 0.00 0.00 58.65 59.37 1h0t h GLN 26 Cb 0.32 0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.84 1h0t h GLN 26 CO -0.00 0.23 0.50 -0.09 -1.50 0.00 0.00 178.83 177.97 1h0t h ARG 27 N -0.93 0.93 0.06 1.46 2.43 -0.59 -1.04 114.38 116.70 1h0t h ARG 27 Ca -0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1h0t h ARG 27 Cb 0.50 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1h0t h ARG 27 CO 0.03 0.61 -0.03 -0.91 -1.51 0.00 0.00 179.97 178.17 1h0t h ASN 28 N 0.96 -0.07 -0.15 -3.80 -0.26 -1.15 -3.06 115.58 108.04 1h0t h ASN 28 Ca 0.33 -0.55 -0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1h0t h ASN 28 Cb 0.07 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1h0t h ASN 28 CO -0.13 0.57 0.09 0.00 -1.06 0.00 0.00 177.43 176.90 1h0t h ALA 29 N 0.02 1.88 -0.64 -0.83 0.00 -1.49 -1.68 119.26 116.51 1h0t h ALA 29 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1h0t h ALA 29 Cb 0.62 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1h0t h ALA 29 CO 0.01 0.11 0.31 0.74 0.00 0.00 0.00 179.25 180.43 1h0t h PHE 30 N 0.21 0.93 0.00 0.00 -1.00 -1.22 -0.50 116.94 115.36 1h0t h PHE 30 Ca 0.06 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 1h0t h PHE 30 Cb -0.01 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.26 1h0t h PHE 30 CO 0.00 0.70 -0.17 0.82 -1.61 0.00 0.00 178.31 178.05 1h0t h ILE 31 N 0.89 1.00 -0.08 -0.55 2.04 -1.21 0.52 117.51 120.13 1h0t h ILE 31 Ca 0.22 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1h0t h ILE 31 Cb 0.11 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1h0t h ILE 31 CO -0.03 0.17 -0.12 1.56 0.00 0.00 0.00 178.15 179.73 1h0t h GLN 32 N 0.00 0.22 -0.03 2.37 4.20 -0.78 0.18 115.11 121.27 1h0t h GLN 32 Ca -0.00 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 1h0t h GLN 32 Cb 0.32 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1h0t h GLN 32 CO 0.02 0.70 -0.42 0.66 -0.67 0.00 0.00 178.83 179.12 1h0t h SER 33 N -0.24 0.06 0.07 1.46 4.64 -0.73 -2.47 113.55 116.34 1h0t h SER 33 Ca 0.01 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1h0t h SER 33 Cb 0.68 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1h0t h SER 33 CO 0.03 0.48 -0.82 0.25 -0.87 0.00 0.00 176.83 175.90 1h0t h LEU 34 N 0.05 0.59 -0.87 5.97 5.85 0.07 -0.93 115.31 126.04 1h0t h LEU 34 Ca 0.00 -0.84 -0.11 0.00 0.84 0.00 0.00 57.88 57.77 1h0t h LEU 34 Cb 0.77 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1h0t h LEU 34 CO 0.06 1.37 -0.33 0.11 -0.34 0.00 0.00 178.44 179.31 1h0t h LYS 35 N -0.11 0.45 0.00 1.25 1.57 -0.63 -3.18 116.57 115.92 1h0t h LYS 35 Ca -0.12 -0.20 -0.26 0.00 -1.87 0.00 0.00 60.65 58.20 1h0t h LYS 35 Cb 1.56 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.81 1h0t h LYS 35 CO 0.16 0.73 -1.47 -0.44 -0.57 0.00 0.00 179.45 177.86 1h0t h ASP 36 N 0.39 0.00 -3.65 0.86 3.32 -1.54 -3.43 116.42 112.37 1h0t h ASP 36 Ca 0.05 -0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.43 1h0t h ASP 36 Cb 0.77 -0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.93 1h0t h ASP 36 CO 0.06 1.00 -0.67 -0.62 -1.72 0.00 0.00 179.24 177.29 1h0t s ASP 37 N -6.30 4.89 0.13 6.45 -1.08 -0.35 -4.98 116.67 115.43 1h0t s ASP 37 Ca -0.03 -2.14 -0.12 0.00 -0.52 0.00 0.00 52.55 49.74 1h0t s ASP 37 Cb 0.09 -1.68 -0.04 0.00 -1.46 0.00 0.00 42.92 39.82 1h0t s ASP 37 CO 0.82 -0.42 1.48 1.55 0.52 0.00 0.00 175.17 179.12 1h0t h PRO 38 N 7.70 0.89 -0.05 4.34 0.13 -1.84 -3.26 132.00 139.92 1h0t h PRO 38 Ca -0.06 -0.44 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1h0t h PRO 38 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1h0t h PRO 38 CO 0.57 1.09 -0.38 0.66 -0.23 0.00 0.00 178.00 179.71 1h0t h SER 39 N 0.70 0.10 -0.12 1.44 4.64 -1.93 -2.79 113.55 115.60 1h0t h SER 39 Ca 0.07 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1h0t h SER 39 Cb 0.89 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1h0t h SER 39 CO 0.08 0.47 0.00 1.67 -0.87 0.00 0.00 176.83 178.18 1h0t n GLN 40 N -4.07 1.40 -0.14 4.77 -0.06 -1.23 -4.34 117.38 113.71 1h0t n GLN 40 Ca -0.02 -0.60 -0.05 0.00 -2.00 0.00 0.00 57.00 54.33 1h0t n GLN 40 Cb 0.43 -1.28 0.03 0.00 -4.06 0.00 0.00 30.24 25.36 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 1.14 0.29 -0.42 1.69 4.64 -1.55 0.45 113.55 119.79 1h0t h SER 41 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1h0t h SER 41 Cb 0.25 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1h0t h SER 41 CO 0.00 0.21 0.22 0.00 -0.87 0.00 0.00 176.83 176.39 1h0t h ALA 42 N 1.24 0.54 -0.68 5.18 0.00 -1.81 0.40 119.26 124.14 1h0t h ALA 42 Ca 0.19 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1h0t h ALA 42 Cb 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1h0t h ALA 42 CO -0.15 0.08 0.45 -0.91 0.00 0.00 0.00 179.25 178.73 1h0t h ASN 43 N 0.55 0.66 -0.49 0.00 -0.26 -1.71 0.36 115.58 114.69 1h0t h ASN 43 Ca 0.15 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.80 1h0t h ASN 43 Cb 0.08 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 1h0t h ASN 43 CO -0.02 0.45 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.71 1h0t h LEU 44 N 0.76 0.86 -0.13 1.61 3.38 0.11 0.70 115.31 122.60 1h0t h LEU 44 Ca 0.28 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1h0t h LEU 44 Cb 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1h0t h LEU 44 CO -0.08 0.96 -0.03 0.25 0.09 0.00 0.00 178.44 179.62 1h0t h LEU 45 N 0.73 0.25 -0.70 1.67 5.85 0.07 0.16 115.31 123.34 1h0t h LEU 45 Ca 0.14 -0.38 0.11 0.00 0.84 0.00 0.00 57.88 58.59 1h0t h LEU 45 Cb 0.53 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1h0t h LEU 45 CO 0.03 0.57 0.31 0.00 -0.34 0.00 0.00 178.44 179.01 1h0t h ALA 46 N 0.69 0.97 -0.27 1.25 0.00 0.04 1.12 119.26 123.07 1h0t h ALA 46 Ca 0.03 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1h0t h ALA 46 Cb 0.46 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1h0t h ALA 46 CO 0.01 -0.13 -0.36 1.05 0.00 0.00 0.00 179.25 179.83 1h0t h GLU 47 N 0.51 0.59 -0.49 0.00 4.11 0.55 0.86 114.58 120.72 1h0t h GLU 47 Ca 0.36 -0.28 -0.09 0.00 0.07 0.00 0.00 59.36 59.42 1h0t h GLU 47 Cb 0.45 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1h0t h GLU 47 CO -0.32 0.86 -0.08 0.00 0.07 0.00 0.00 179.01 179.55 1h0t h ALA 48 N 1.11 0.95 -0.56 1.06 0.00 0.15 0.64 119.26 122.62 1h0t h ALA 48 Ca 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1h0t h ALA 48 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1h0t h ALA 48 CO 0.07 0.62 -0.06 0.87 0.00 0.00 0.00 179.25 180.75 1h0t h LYS 49 N 0.79 1.02 -0.66 0.00 1.79 0.17 0.51 116.57 120.19 1h0t h LYS 49 Ca 0.14 -0.35 -0.05 0.00 -2.18 0.00 0.00 60.65 58.21 1h0t h LYS 49 Cb 0.58 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 1h0t h LYS 49 CO 0.04 1.03 0.23 -0.22 -1.08 0.00 0.00 179.45 179.45 1h0t h LYS 50 N 0.92 1.00 -0.21 3.15 3.64 0.13 -0.63 116.57 124.57 1h0t h LYS 50 Ca 0.15 -0.20 -0.17 0.00 -1.27 0.00 0.00 60.65 59.16 1h0t h LYS 50 Cb 0.62 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1h0t h LYS 50 CO 0.04 0.86 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.47 1h0t h LEU 51 N 0.94 0.71 -0.62 5.20 4.07 0.74 -0.22 115.31 126.13 1h0t h LEU 51 Ca 0.21 -0.38 0.03 0.00 0.08 0.00 0.00 57.88 57.83 1h0t h LEU 51 Cb 0.26 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.76 1h0t h LEU 51 CO -0.01 1.11 0.37 -1.13 -1.08 0.00 0.00 178.44 177.70 1h0t h ASN 52 N 0.49 0.60 0.32 -0.43 -0.73 0.57 0.44 115.58 116.83 1h0t h ASN 52 Ca 0.01 0.01 -0.33 0.00 1.87 0.00 0.00 56.30 57.86 1h0t h ASN 52 Cb 1.10 -0.12 0.03 0.00 0.27 0.00 0.00 38.32 39.61 1h0t h ASN 52 CO 0.11 0.42 -1.45 0.44 -0.37 0.00 0.00 177.43 176.57 1h0t h ASP 53 N 0.73 0.79 -0.33 1.15 3.32 -1.06 -2.14 116.42 118.88 1h0t h ASP 53 Ca 0.25 -0.85 -0.09 0.00 0.02 0.00 0.00 57.03 56.37 1h0t h ASP 53 Cb 0.04 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1h0t h ASP 53 CO -0.11 1.66 -0.13 0.00 -1.72 0.00 0.00 179.24 178.94 1h0t h ALA 54 N 0.22 0.46 -0.14 3.45 0.00 -0.87 -2.83 119.26 119.54 1h0t h ALA 54 Ca -0.24 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1h0t h ALA 54 Cb 2.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1h0t h ALA 54 CO 0.27 0.35 0.00 1.04 0.00 0.00 0.00 179.25 180.90 1h0t n GLN 55 N -4.38 1.57 -1.35 0.00 6.02 0.15 -4.93 117.38 114.46 1h0t n GLN 55 Ca -0.03 -0.86 -0.31 0.00 -0.01 0.00 0.00 57.00 55.79 1h0t n GLN 55 Cb 0.37 -1.36 0.08 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.82 2.28 0.47 -1.58 0.00 -0.80 -4.95 121.76 115.35 1h0t s ALA 56 Ca 0.30 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.37 1h0t s ALA 56 Cb 0.16 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.91 1h0t s ALA 56 CO 0.24 -1.69 1.12 -1.25 0.00 0.00 0.00 175.76 174.18 1h0t s PRO 57 N -4.73 3.76 0.00 0.00 0.04 -1.26 -5.03 135.00 127.78 1h0t s PRO 57 Ca 0.63 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1h0t s PRO 57 Cb -0.18 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1h0t s PRO 57 CO 0.53 -0.52 0.41 1.63 0.04 0.00 0.00 177.00 179.09