#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 0.26 -0.12 6.55 -4.77 -1.26 -5.16 116.67 112.18 1h0t s ASP 2 Ca 0.00 -1.15 -0.02 0.00 -3.30 0.00 0.00 52.55 48.08 1h0t s ASP 2 Cb 0.00 0.69 -0.03 0.00 -1.09 0.00 0.00 42.92 42.50 1h0t s ASP 2 CO 0.00 -1.36 -0.04 0.54 0.70 0.00 0.00 175.17 175.01 1h0t s ASN 3 N -3.10 4.83 0.00 2.11 2.20 -1.26 -5.06 114.94 114.67 1h0t s ASN 3 Ca 0.22 -0.05 0.00 0.00 -0.94 0.00 0.00 52.86 52.10 1h0t s ASN 3 Cb -0.02 -1.55 0.00 0.00 -2.00 0.00 0.00 41.25 37.68 1h0t s ASN 3 CO 0.13 0.26 0.00 1.17 -2.94 0.00 0.00 177.10 175.73 1h0t n LYS 4 N 2.90 0.00 0.25 3.55 4.81 -1.26 -4.56 118.16 123.86 1h0t n LYS 4 Ca -0.18 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.36 1h0t n LYS 4 Cb 0.53 -0.12 0.66 0.00 0.02 0.00 0.00 35.03 36.11 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 0.16 5.64 0.04 -1.97 -2.15 116.94 118.66 1h0t h PHE 5 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1h0t h PHE 5 Cb 0.00 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1h0t h PHE 5 CO 0.00 0.13 -0.36 -0.91 -0.60 0.00 0.00 178.31 176.57 1h0t h ASN 6 N 0.00 -1.04 0.97 2.17 4.21 -1.90 0.57 115.58 120.57 1h0t h ASN 6 Ca -0.00 0.11 -0.17 0.00 1.21 0.00 0.00 56.30 57.45 1h0t h ASN 6 Cb 0.29 0.39 -0.02 0.00 -1.12 0.00 0.00 38.32 37.85 1h0t h ASN 6 CO 0.02 -0.45 -0.81 0.50 -1.29 0.00 0.00 177.43 175.40 1h0t h LYS 7 N -0.62 0.00 -0.92 0.81 3.64 -1.79 -2.72 116.57 114.98 1h0t h LYS 7 Ca 0.02 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1h0t h LYS 7 Cb 0.63 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 1h0t h LYS 7 CO -0.19 0.81 0.60 0.93 -2.27 0.00 0.00 179.45 179.33 1h0t h GLU 8 N 0.00 1.12 -0.61 1.90 4.39 -1.03 1.03 114.58 121.37 1h0t h GLU 8 Ca -0.01 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1h0t h GLU 8 Cb 1.51 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1h0t h GLU 8 CO 0.10 0.74 0.00 1.96 -1.16 0.00 0.00 179.01 180.66 1h0t h GLN 9 N 1.15 1.07 -0.24 2.33 4.20 -0.85 0.51 115.11 123.28 1h0t h GLN 9 Ca 0.37 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1h0t h GLN 9 Cb 0.02 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1h0t h GLN 9 CO -0.11 1.04 0.12 0.37 -0.67 0.00 0.00 178.83 179.59 1h0t h GLN 10 N 0.97 0.34 -0.17 1.46 5.75 -0.39 0.68 115.11 123.74 1h0t h GLN 10 Ca 0.17 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 1h0t h GLN 10 Cb 0.56 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 1h0t h GLN 10 CO 0.03 0.32 -0.23 -0.97 -2.65 0.00 0.00 178.83 175.33 1h0t h ASN 11 N 0.27 0.50 -0.51 -0.69 -1.24 0.11 -0.10 115.58 113.92 1h0t h ASN 11 Ca 0.08 -0.51 -0.03 0.00 0.71 0.00 0.00 56.30 56.55 1h0t h ASN 11 Cb 0.08 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1h0t h ASN 11 CO -0.01 0.91 0.20 0.00 -1.29 0.00 0.00 177.43 177.24 1h0t h ALA 12 N 0.60 0.66 0.44 1.57 0.00 0.12 0.38 119.26 123.03 1h0t h ALA 12 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1h0t h ALA 12 Cb 0.79 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1h0t h ALA 12 CO 0.05 0.28 -0.35 0.35 0.00 0.00 0.00 179.25 179.58 1h0t h PHE 13 N 0.68 -0.95 -0.08 0.00 3.57 0.42 0.35 116.94 120.94 1h0t h PHE 13 Ca 0.17 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1h0t h PHE 13 Cb 0.20 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 1h0t h PHE 13 CO 0.01 -0.51 -0.23 -0.92 -2.23 0.00 0.00 178.31 174.42 1h0t h TYR 14 N -0.79 -0.62 -0.78 0.41 3.20 -0.76 -1.02 116.97 116.61 1h0t h TYR 14 Ca -0.04 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1h0t h TYR 14 Cb 0.68 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 1h0t h TYR 14 CO -0.16 -0.32 0.52 0.93 -1.64 0.00 0.00 178.16 177.49 1h0t h GLU 15 N -0.32 1.03 -0.58 1.82 4.39 -0.03 0.59 114.58 121.48 1h0t h GLU 15 Ca 0.08 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1h0t h GLU 15 Cb 0.45 -0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 1h0t h GLU 15 CO -0.26 0.68 0.23 0.82 -1.16 0.00 0.00 179.01 179.32 1h0t h ILE 16 N 1.06 0.81 -0.33 3.13 2.04 0.30 0.45 117.51 124.97 1h0t h ILE 16 Ca 0.29 -0.14 -0.17 0.00 1.00 0.00 0.00 64.86 65.83 1h0t h ILE 16 Cb -0.12 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1h0t h ILE 16 CO -0.06 0.08 -0.45 -0.07 0.00 0.00 0.00 178.15 177.64 1h0t h LEU 17 N 0.42 0.95 -0.50 1.44 3.38 -0.29 -3.20 115.31 117.51 1h0t h LEU 17 Ca 0.28 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1h0t h LEU 17 Cb 0.32 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1h0t h LEU 17 CO -0.27 1.26 0.00 1.41 0.09 0.00 0.00 178.44 180.92 1h0t n HIS 18 N -4.03 0.01 -2.14 1.13 8.25 0.20 -4.89 115.22 113.75 1h0t n HIS 18 Ca -0.03 -0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1h0t n HIS 18 Cb 0.58 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.66 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 -1.95 4.39 0.46 2.41 1.43 0.15 -4.91 118.68 120.66 1h0t s LEU 19 Ca 0.41 2.45 0.31 0.00 -1.03 0.00 0.00 54.13 56.28 1h0t s LEU 19 Cb 0.21 -3.60 1.41 0.00 0.03 0.00 0.00 46.19 44.23 1h0t s LEU 19 CO 0.34 -0.62 1.93 1.55 0.23 0.00 0.00 176.35 179.78 1h0t h PRO 20 N 5.84 0.00 0.00 1.29 0.13 -1.90 -3.17 132.00 134.19 1h0t h PRO 20 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1h0t h PRO 20 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1h0t h PRO 20 CO 0.81 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 1h0t n ASN 21 N -2.74 1.87 -4.82 1.44 4.13 -1.26 -5.03 115.26 108.85 1h0t n ASN 21 Ca 0.00 -1.87 -0.37 0.00 1.68 0.00 0.00 54.58 54.03 1h0t n ASN 21 Cb 0.22 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.40 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 -0.87 4.40 0.00 3.41 1.43 -1.20 -4.71 118.68 121.13 1h0t s LEU 22 Ca 0.00 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1h0t s LEU 22 Cb 0.00 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1h0t s LEU 22 CO 0.00 0.11 0.09 -0.46 0.23 0.00 0.00 176.35 176.32 1h0t n ASN 23 N 0.99 2.38 -0.16 2.29 0.23 -1.26 -4.84 115.26 114.89 1h0t n ASN 23 Ca -0.05 -2.08 0.02 0.00 -0.53 0.00 0.00 54.58 51.95 1h0t n ASN 23 Cb 0.51 0.10 0.30 0.00 -2.08 0.00 0.00 39.78 38.61 1h0t n ASN 23 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1h0t h GLU 24 N 0.00 0.85 -0.03 -3.83 4.57 -1.98 0.18 114.58 114.35 1h0t h GLU 24 Ca -0.20 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 1h0t h GLU 24 Cb 0.66 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1h0t h GLU 24 CO 0.33 0.56 -0.05 1.49 -1.18 0.00 0.00 179.01 180.17 1h0t h GLU 25 N 0.88 0.09 0.04 1.92 4.81 -1.98 -2.35 114.58 117.98 1h0t h GLU 25 Ca 0.25 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1h0t h GLU 25 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1h0t h GLU 25 CO -0.06 0.60 -0.02 1.96 -0.73 0.00 0.00 179.01 180.76 1h0t h GLN 26 N -0.42 -0.06 -0.14 1.92 7.50 -1.91 -2.65 115.11 119.36 1h0t h GLN 26 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.16 1h0t h GLN 26 Cb 0.59 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.13 1h0t h GLN 26 CO 0.01 0.48 0.09 -0.09 -1.50 0.00 0.00 178.83 177.82 1h0t h ARG 27 N -0.64 0.18 -0.47 1.46 2.43 -0.78 -2.16 114.38 114.40 1h0t h ARG 27 Ca -0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1h0t h ARG 27 Cb 0.56 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1h0t h ARG 27 CO 0.01 0.13 0.15 -0.97 -1.51 0.00 0.00 179.97 177.78 1h0t h ASN 28 N 0.18 0.69 -0.96 -3.80 -1.24 -1.54 -1.61 115.58 107.30 1h0t h ASN 28 Ca 0.05 -0.20 0.06 0.00 0.71 0.00 0.00 56.30 56.92 1h0t h ASN 28 Cb -0.01 -0.18 -0.06 0.00 0.73 0.00 0.00 38.32 38.80 1h0t h ASN 28 CO -0.01 0.71 0.62 0.00 -1.29 0.00 0.00 177.43 177.46 1h0t h ALA 29 N 1.01 1.44 -0.38 1.57 0.00 -1.39 0.92 119.26 122.43 1h0t h ALA 29 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1h0t h ALA 29 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1h0t h ALA 29 CO -0.01 0.43 0.11 0.74 0.00 0.00 0.00 179.25 180.52 1h0t h PHE 30 N 1.13 0.62 -0.01 0.00 0.04 -1.01 0.71 116.94 118.43 1h0t h PHE 30 Ca 0.41 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 61.07 1h0t h PHE 30 Cb 0.14 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1h0t h PHE 30 CO -0.00 0.60 -0.16 0.82 -0.60 0.00 0.00 178.31 178.97 1h0t h ILE 31 N 0.47 1.12 -0.05 -0.55 2.04 -0.34 0.72 117.51 120.92 1h0t h ILE 31 Ca 0.12 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1h0t h ILE 31 Cb 0.27 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1h0t h ILE 31 CO -0.00 0.17 -0.13 1.56 0.00 0.00 0.00 178.15 179.75 1h0t h GLN 32 N 0.02 0.17 0.00 2.37 4.20 0.06 0.13 115.11 122.06 1h0t h GLN 32 Ca 0.00 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 1h0t h GLN 32 Cb 0.30 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1h0t h GLN 32 CO 0.02 0.73 -0.38 0.66 -0.67 0.00 0.00 178.83 179.19 1h0t h SER 33 N -0.36 0.00 0.07 1.46 4.64 -0.50 -2.49 113.55 116.37 1h0t h SER 33 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1h0t h SER 33 Cb 0.74 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1h0t h SER 33 CO 0.03 0.38 -0.41 0.25 -0.87 0.00 0.00 176.83 176.20 1h0t h LEU 34 N 0.00 0.23 -1.00 5.97 5.85 0.47 -0.79 115.31 126.05 1h0t h LEU 34 Ca -0.00 -0.98 -0.08 0.00 0.84 0.00 0.00 57.88 57.66 1h0t h LEU 34 Cb 0.75 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1h0t h LEU 34 CO 0.05 1.20 -0.15 0.11 -0.34 0.00 0.00 178.44 179.30 1h0t h LYS 35 N -0.69 0.54 0.20 1.25 1.57 -0.78 -3.17 116.57 115.49 1h0t h LYS 35 Ca -0.07 -0.17 -0.34 0.00 -1.87 0.00 0.00 60.65 58.20 1h0t h LYS 35 Cb 1.32 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 33.60 1h0t h LYS 35 CO 0.07 0.68 -1.60 -0.44 -0.57 0.00 0.00 179.45 177.60 1h0t h ASP 36 N 0.49 0.65 -3.68 0.86 3.32 -1.57 -3.43 116.42 113.06 1h0t h ASP 36 Ca 0.09 -0.83 -0.68 0.00 0.02 0.00 0.00 57.03 55.62 1h0t h ASP 36 Cb 0.56 -0.21 -0.36 0.00 0.22 0.00 0.00 39.33 39.53 1h0t h ASP 36 CO 0.04 1.68 -0.68 -0.62 -1.72 0.00 0.00 179.24 177.94 1h0t s ASP 37 N -7.34 4.89 0.14 6.45 -1.08 -0.30 -4.99 116.67 114.45 1h0t s ASP 37 Ca -0.12 -1.76 -0.11 0.00 -0.52 0.00 0.00 52.55 50.05 1h0t s ASP 37 Cb 0.05 -1.70 -0.05 0.00 -1.46 0.00 0.00 42.92 39.77 1h0t s ASP 37 CO 0.89 -0.36 1.46 1.55 0.52 0.00 0.00 175.17 179.22 1h0t h PRO 38 N 7.87 0.91 -0.37 4.34 0.13 -1.82 -3.29 132.00 139.77 1h0t h PRO 38 Ca -0.14 -0.51 -0.06 0.00 -0.87 0.00 0.00 66.00 64.42 1h0t h PRO 38 Cb 1.04 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1h0t h PRO 38 CO 0.56 1.16 -0.03 1.03 -0.23 0.00 0.00 178.00 180.50 1h0t h SER 39 N 0.73 0.56 -0.04 1.44 0.87 -1.92 -2.57 113.55 112.63 1h0t h SER 39 Ca 0.05 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1h0t h SER 39 Cb 1.03 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1h0t h SER 39 CO 0.10 0.65 0.00 1.67 -0.53 0.00 0.00 176.83 178.73 1h0t n GLN 40 N -4.24 1.18 -0.16 2.24 -0.06 -1.24 -4.31 117.38 110.80 1h0t n GLN 40 Ca 0.02 -0.27 -0.03 0.00 -2.00 0.00 0.00 57.00 54.71 1h0t n GLN 40 Cb 0.28 -1.34 0.06 0.00 -4.06 0.00 0.00 30.24 25.17 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 0.57 0.19 -0.17 1.69 4.64 -1.53 0.52 113.55 119.46 1h0t h SER 41 Ca 0.00 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1h0t h SER 41 Cb 0.12 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1h0t h SER 41 CO 0.00 0.14 0.08 0.00 -0.87 0.00 0.00 176.83 176.19 1h0t h ALA 42 N 1.32 0.22 -0.84 5.18 0.00 -1.81 0.02 119.26 123.34 1h0t h ALA 42 Ca 0.23 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1h0t h ALA 42 Cb 0.23 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1h0t h ALA 42 CO -0.23 -0.23 0.55 -0.91 0.00 0.00 0.00 179.25 178.43 1h0t h ASN 43 N 0.15 0.79 -0.58 0.00 4.21 -1.72 0.31 115.58 118.75 1h0t h ASN 43 Ca 0.06 0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.54 1h0t h ASN 43 Cb 0.11 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 1h0t h ASN 43 CO -0.01 0.50 0.20 -0.07 -1.29 0.00 0.00 177.43 176.76 1h0t h LEU 44 N 0.89 0.82 -0.12 1.61 3.38 0.84 0.70 115.31 123.44 1h0t h LEU 44 Ca 0.37 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1h0t h LEU 44 Cb 0.29 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1h0t h LEU 44 CO -0.14 0.79 -0.03 0.25 0.09 0.00 0.00 178.44 179.41 1h0t h LEU 45 N 0.81 0.24 -0.72 1.67 5.85 0.27 0.23 115.31 123.65 1h0t h LEU 45 Ca 0.19 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.65 1h0t h LEU 45 Cb 0.25 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1h0t h LEU 45 CO -0.01 0.55 0.35 0.00 -0.34 0.00 0.00 178.44 178.99 1h0t h ALA 46 N 0.70 1.00 -0.17 1.25 0.00 0.10 1.11 119.26 123.25 1h0t h ALA 46 Ca 0.03 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1h0t h ALA 46 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1h0t h ALA 46 CO 0.01 -0.06 -0.48 1.05 0.00 0.00 0.00 179.25 179.77 1h0t h GLU 47 N 0.59 0.45 -0.51 0.00 4.11 0.55 0.79 114.58 120.56 1h0t h GLU 47 Ca 0.36 -0.25 -0.09 0.00 0.07 0.00 0.00 59.36 59.44 1h0t h GLU 47 Cb 0.40 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1h0t h GLU 47 CO -0.28 0.84 -0.05 0.00 0.07 0.00 0.00 179.01 179.58 1h0t h ALA 48 N 1.12 0.94 -0.51 1.06 0.00 0.13 0.61 119.26 122.60 1h0t h ALA 48 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1h0t h ALA 48 Cb 0.98 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1h0t h ALA 48 CO 0.09 0.63 0.12 0.87 0.00 0.00 0.00 179.25 180.95 1h0t h LYS 49 N 0.83 0.83 -0.81 0.00 1.79 0.17 0.32 116.57 119.70 1h0t h LYS 49 Ca 0.14 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1h0t h LYS 49 Cb 0.57 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 1h0t h LYS 49 CO 0.03 0.80 0.47 -0.22 -1.08 0.00 0.00 179.45 179.45 1h0t h LYS 50 N 0.71 1.10 -0.12 3.15 3.64 0.11 -1.33 116.57 123.83 1h0t h LYS 50 Ca 0.16 -0.10 -0.22 0.00 -1.27 0.00 0.00 60.65 59.21 1h0t h LYS 50 Cb 0.35 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1h0t h LYS 50 CO 0.00 0.78 -0.80 -0.07 -2.27 0.00 0.00 179.45 177.09 1h0t h LEU 51 N 1.12 0.91 -0.97 5.20 4.07 0.93 -0.69 115.31 125.89 1h0t h LEU 51 Ca 0.29 -0.65 -0.02 0.00 0.08 0.00 0.00 57.88 57.58 1h0t h LEU 51 Cb -0.03 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.40 1h0t h LEU 51 CO -0.05 1.42 0.45 -0.55 -1.08 0.00 0.00 178.44 178.63 1h0t h ASN 52 N 0.47 1.06 0.28 -0.43 -1.07 0.07 0.33 115.58 116.29 1h0t h ASN 52 Ca -0.07 -0.10 -0.34 0.00 0.07 0.00 0.00 56.30 55.87 1h0t h ASN 52 Cb 1.44 -0.27 0.04 0.00 -2.07 0.00 0.00 38.32 37.45 1h0t h ASN 52 CO 0.16 0.86 -1.48 0.44 0.07 0.00 0.00 177.43 177.48 1h0t h ASP 53 N 1.18 0.82 0.04 6.14 3.32 -1.27 -1.96 116.42 124.68 1h0t h ASP 53 Ca 0.30 -0.89 -0.00 0.00 0.02 0.00 0.00 57.03 56.46 1h0t h ASP 53 Cb 0.04 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1h0t h ASP 53 CO -0.05 1.70 -0.02 0.00 -1.72 0.00 0.00 179.24 179.15 1h0t h ALA 54 N 0.18 -0.05 0.00 3.45 0.00 -0.98 -3.04 119.26 118.82 1h0t h ALA 54 Ca -0.25 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1h0t h ALA 54 Cb 2.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 1h0t h ALA 54 CO 0.27 -0.30 -0.18 1.96 0.00 0.00 0.00 179.25 181.01 1h0t h GLN 55 N -0.52 0.00 -6.99 0.00 4.20 -0.49 -3.46 115.11 107.85 1h0t h GLN 55 Ca -0.01 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.16 1h0t h GLN 55 Cb 0.47 0.00 0.19 0.00 0.30 0.00 0.00 27.48 28.44 1h0t h GLN 55 CO 0.01 0.18 0.03 0.00 -0.67 0.00 0.00 178.83 178.37 1h0t n ALA 56 N -2.27 -0.71 -1.51 3.87 0.00 -0.74 -4.85 120.51 114.32 1h0t n ALA 56 Ca -0.01 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 1h0t n ALA 56 Cb 0.32 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 1h0t n ALA 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1h0t n PRO 57 N -2.32 2.60 -0.49 0.00 -0.04 -1.26 -4.99 135.00 128.51 1h0t n PRO 57 Ca 0.12 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 1h0t n PRO 57 Cb 0.51 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 1h0t n PRO 57 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63