#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 6.74 -0.61 -1.34 -1.08 -1.26 -5.02 116.67 114.10 1h0t s ASP 2 Ca 0.00 0.90 -0.12 0.00 -0.52 0.00 0.00 52.55 52.82 1h0t s ASP 2 Cb 0.00 -2.37 0.16 0.00 -1.46 0.00 0.00 42.92 39.24 1h0t s ASP 2 CO 0.00 -0.32 0.52 0.21 0.52 0.00 0.00 175.17 176.10 1h0t s ASN 3 N 1.22 6.10 0.00 -0.34 2.47 -1.26 -4.80 114.94 118.33 1h0t s ASN 3 Ca 0.31 -2.20 0.00 0.00 0.42 0.00 0.00 52.86 51.39 1h0t s ASN 3 Cb -0.16 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.53 1h0t s ASN 3 CO 0.10 -0.68 0.00 2.29 -3.72 0.00 0.00 177.10 175.10 1h0t n LYS 4 N 4.60 0.00 0.28 0.43 2.85 -1.26 -4.78 118.16 120.28 1h0t n LYS 4 Ca -0.02 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.37 1h0t n LYS 4 Cb 0.42 -0.60 0.83 0.00 -0.65 0.00 0.00 35.03 35.03 1h0t n LYS 4 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1h0t h PHE 5 N 0.00 0.00 0.06 5.58 0.04 -1.91 -2.27 116.94 118.44 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 0.65 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.76 1h0t h PHE 5 CO 0.00 0.04 -0.27 -0.91 -0.60 0.00 0.00 178.31 176.57 1h0t h ASN 6 N 0.00 -0.77 0.25 2.17 2.35 -1.92 -2.71 115.58 114.95 1h0t h ASN 6 Ca -0.00 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1h0t h ASN 6 Cb 0.10 0.30 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1h0t h ASN 6 CO 0.01 -0.34 -0.39 1.17 -1.65 0.00 0.00 177.43 176.22 1h0t n LYS 7 N -5.38 0.63 -0.16 0.81 4.81 -1.17 -3.78 118.16 113.93 1h0t n LYS 7 Ca -0.06 -0.41 -0.11 0.00 -0.87 0.00 0.00 58.31 56.86 1h0t n LYS 7 Cb 0.29 -1.49 -0.00 0.00 0.02 0.00 0.00 35.03 33.85 1h0t n LYS 7 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1h0t h GLU 8 N 0.99 0.95 -0.58 1.64 5.08 -1.10 0.67 114.58 122.23 1h0t h GLU 8 Ca 0.00 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 1h0t h GLU 8 Cb 0.53 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1h0t h GLU 8 CO 0.00 1.06 0.14 1.96 -1.00 0.00 0.00 179.01 181.17 1h0t h GLN 9 N 0.80 0.89 -0.03 2.33 4.20 -1.62 0.51 115.11 122.20 1h0t h GLN 9 Ca 0.11 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1h0t h GLN 9 Cb 0.75 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1h0t h GLN 9 CO 0.06 0.80 0.00 0.37 -0.67 0.00 0.00 178.83 179.39 1h0t h GLN 10 N 0.86 0.04 -0.21 1.46 5.75 -1.45 0.33 115.11 121.89 1h0t h GLN 10 Ca 0.19 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.63 1h0t h GLN 10 Cb 0.30 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1h0t h GLN 10 CO -0.00 0.31 -0.06 -0.97 -2.65 0.00 0.00 178.83 175.46 1h0t h ASN 11 N -0.23 0.42 -0.64 -0.69 -1.24 0.54 -0.40 115.58 113.34 1h0t h ASN 11 Ca 0.01 -0.38 -0.03 0.00 0.71 0.00 0.00 56.30 56.61 1h0t h ASN 11 Cb 0.29 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 1h0t h ASN 11 CO 0.00 0.70 0.29 0.00 -1.29 0.00 0.00 177.43 177.14 1h0t h ALA 12 N 0.73 0.83 0.66 1.57 0.00 0.02 0.32 119.26 123.40 1h0t h ALA 12 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1h0t h ALA 12 Cb 0.52 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1h0t h ALA 12 CO 0.02 0.41 -0.38 0.35 0.00 0.00 0.00 179.25 179.65 1h0t h PHE 13 N 0.89 -1.01 -0.08 0.00 3.57 -0.22 0.30 116.94 120.40 1h0t h PHE 13 Ca 0.22 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1h0t h PHE 13 Cb 0.15 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 1h0t h PHE 13 CO 0.01 -0.59 -0.19 -0.92 -2.23 0.00 0.00 178.31 174.38 1h0t h TYR 14 N -0.98 -0.51 -0.75 0.41 3.20 -0.88 -1.17 116.97 116.31 1h0t h TYR 14 Ca -0.08 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1h0t h TYR 14 Cb 0.78 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 1h0t h TYR 14 CO -0.08 -0.27 0.49 0.93 -1.64 0.00 0.00 178.16 177.58 1h0t h GLU 15 N -0.27 0.94 -0.48 1.82 4.39 -0.23 0.46 114.58 121.22 1h0t h GLU 15 Ca 0.08 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.80 1h0t h GLU 15 Cb 0.39 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 1h0t h GLU 15 CO -0.24 0.62 0.14 0.82 -1.16 0.00 0.00 179.01 179.19 1h0t h ILE 16 N 0.97 0.80 -0.33 3.13 2.04 0.21 0.46 117.51 124.79 1h0t h ILE 16 Ca 0.29 -0.10 -0.12 0.00 1.00 0.00 0.00 64.86 65.93 1h0t h ILE 16 Cb -0.05 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1h0t h ILE 16 CO -0.09 0.05 -0.28 -0.07 0.00 0.00 0.00 178.15 177.76 1h0t h LEU 17 N 0.30 0.71 -0.73 1.44 3.38 -0.34 -3.18 115.31 116.88 1h0t h LEU 17 Ca 0.23 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1h0t h LEU 17 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1h0t h LEU 17 CO -0.26 0.96 -0.08 1.41 0.09 0.00 0.00 178.44 180.56 1h0t n HIS 18 N -4.09 0.00 -2.09 1.13 8.25 0.15 -4.91 115.22 113.67 1h0t n HIS 18 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1h0t n HIS 18 Cb 0.46 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.17 4.35 0.07 2.41 1.43 0.15 -4.90 118.68 120.02 1h0t s LEU 19 Ca 0.34 2.32 0.11 0.00 -1.03 0.00 0.00 54.13 55.87 1h0t s LEU 19 Cb 0.20 -3.57 0.51 0.00 0.03 0.00 0.00 46.19 43.36 1h0t s LEU 19 CO 0.40 -0.77 1.35 -0.81 0.23 0.00 0.00 176.35 176.75 1h0t n PRO 20 N 5.08 0.04 -0.01 1.29 -0.04 -1.26 -2.96 135.00 137.14 1h0t n PRO 20 Ca 0.14 0.40 0.01 0.00 -0.04 0.00 0.00 63.50 64.01 1h0t n PRO 20 Cb 0.42 -1.60 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 1h0t n PRO 20 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1h0t n ASN 21 N -1.68 1.78 -4.83 3.54 4.13 -1.26 -5.04 115.26 111.91 1h0t n ASN 21 Ca 0.02 -1.95 -0.38 0.00 1.68 0.00 0.00 54.58 53.95 1h0t n ASN 21 Cb 0.10 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.26 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 -0.99 4.47 0.00 3.41 1.43 -1.16 -4.73 118.68 121.12 1h0t s LEU 22 Ca 0.02 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 1h0t s LEU 22 Cb 0.02 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1h0t s LEU 22 CO 0.00 0.26 0.27 -0.46 0.23 0.00 0.00 176.35 176.64 1h0t n ASN 23 N 1.55 1.61 -0.09 2.29 0.23 -1.26 -4.84 115.26 114.75 1h0t n ASN 23 Ca -0.11 -1.88 -0.06 0.00 -0.53 0.00 0.00 54.58 52.01 1h0t n ASN 23 Cb 0.52 -0.08 0.14 0.00 -2.08 0.00 0.00 39.78 38.27 1h0t n ASN 23 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1h0t h GLU 24 N 0.00 0.76 -0.44 -3.83 4.11 -1.98 0.20 114.58 113.40 1h0t h GLU 24 Ca -0.16 -0.25 -0.03 0.00 0.07 0.00 0.00 59.36 58.99 1h0t h GLU 24 Cb 0.63 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1h0t h GLU 24 CO 0.25 0.84 0.16 1.49 0.07 0.00 0.00 179.01 181.82 1h0t h GLU 25 N 0.69 0.66 0.02 1.06 4.57 -1.98 -1.47 114.58 118.14 1h0t h GLU 25 Ca 0.12 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1h0t h GLU 25 Cb 0.57 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1h0t h GLU 25 CO 0.04 0.62 -0.01 1.96 -1.18 0.00 0.00 179.01 180.44 1h0t h GLN 26 N 0.56 -0.02 -0.32 1.92 4.20 -1.93 -2.82 115.11 116.70 1h0t h GLN 26 Ca 0.14 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.87 1h0t h GLN 26 Cb 0.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1h0t h GLN 26 CO -0.01 0.66 0.18 -0.09 -0.67 0.00 0.00 178.83 178.90 1h0t h ARG 27 N -0.97 0.36 -0.25 1.46 2.43 -0.70 -0.71 114.38 116.00 1h0t h ARG 27 Ca -0.00 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1h0t h ARG 27 Cb 0.69 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1h0t h ARG 27 CO 0.00 0.24 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.63 1h0t h ASN 28 N 0.37 0.58 -0.64 -3.80 2.35 -1.43 -2.35 115.58 110.67 1h0t h ASN 28 Ca 0.13 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1h0t h ASN 28 Cb 0.01 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1h0t h ASN 28 CO -0.07 0.89 0.38 0.00 -1.65 0.00 0.00 177.43 176.98 1h0t h ALA 29 N 0.71 1.45 -0.59 -0.83 0.00 -1.42 -1.81 119.26 116.77 1h0t h ALA 29 Ca 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1h0t h ALA 29 Cb 0.69 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1h0t h ALA 29 CO 0.04 0.47 0.31 0.74 0.00 0.00 0.00 179.25 180.81 1h0t h PHE 30 N 0.89 0.83 0.00 0.00 0.04 -0.95 -0.12 116.94 117.63 1h0t h PHE 30 Ca 0.23 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.94 1h0t h PHE 30 Cb -0.02 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 1h0t h PHE 30 CO 0.00 0.62 -0.18 0.82 -0.60 0.00 0.00 178.31 178.97 1h0t h ILE 31 N 0.81 1.09 -0.05 -0.55 2.04 -0.82 0.68 117.51 120.70 1h0t h ILE 31 Ca 0.21 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1h0t h ILE 31 Cb 0.08 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1h0t h ILE 31 CO -0.03 0.17 -0.13 1.56 0.00 0.00 0.00 178.15 179.73 1h0t h GLN 32 N 0.00 0.18 0.00 2.37 1.08 -0.40 0.16 115.11 118.50 1h0t h GLN 32 Ca -0.00 -0.12 -0.09 0.00 -1.45 0.00 0.00 58.65 56.99 1h0t h GLN 32 Cb 0.32 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1h0t h GLN 32 CO 0.02 0.72 -0.41 0.66 -0.95 0.00 0.00 178.83 178.87 1h0t h SER 33 N -0.33 0.00 0.11 1.46 4.64 -0.72 -2.59 113.55 116.13 1h0t h SER 33 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1h0t h SER 33 Cb 0.72 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1h0t h SER 33 CO 0.03 0.41 -0.69 0.25 -0.87 0.00 0.00 176.83 175.96 1h0t h LEU 34 N 0.00 0.37 -0.85 5.97 5.85 0.38 -0.86 115.31 126.17 1h0t h LEU 34 Ca -0.00 -0.96 -0.10 0.00 0.84 0.00 0.00 57.88 57.66 1h0t h LEU 34 Cb 0.78 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1h0t h LEU 34 CO 0.05 1.33 -0.19 0.11 -0.34 0.00 0.00 178.44 179.41 1h0t h LYS 35 N -0.49 0.64 0.06 1.25 1.57 -0.71 -3.21 116.57 115.68 1h0t h LYS 35 Ca -0.12 -0.23 -0.29 0.00 -1.87 0.00 0.00 60.65 58.13 1h0t h LYS 35 Cb 1.53 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.76 1h0t h LYS 35 CO 0.12 0.79 -1.57 -0.44 -0.57 0.00 0.00 179.45 177.78 1h0t h ASP 36 N 0.57 0.18 -3.54 0.86 3.32 -1.59 -3.43 116.42 112.79 1h0t h ASP 36 Ca 0.09 -0.30 -0.69 0.00 0.02 0.00 0.00 57.03 56.15 1h0t h ASP 36 Cb 0.64 -0.06 -0.35 0.00 0.22 0.00 0.00 39.33 39.78 1h0t h ASP 36 CO 0.05 1.26 -0.59 -0.62 -1.72 0.00 0.00 179.24 177.61 1h0t s ASP 37 N -6.61 5.15 0.16 6.45 -1.08 -0.33 -4.97 116.67 115.43 1h0t s ASP 37 Ca -0.07 -2.00 -0.10 0.00 -0.52 0.00 0.00 52.55 49.86 1h0t s ASP 37 Cb 0.08 -1.79 -0.00 0.00 -1.46 0.00 0.00 42.92 39.75 1h0t s ASP 37 CO 0.83 -0.49 1.53 1.55 0.52 0.00 0.00 175.17 179.10 1h0t h PRO 38 N 7.97 0.97 -0.09 4.34 0.13 -1.83 -3.23 132.00 140.27 1h0t h PRO 38 Ca -0.12 -0.45 -0.09 0.00 -0.87 0.00 0.00 66.00 64.47 1h0t h PRO 38 Cb 1.04 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1h0t h PRO 38 CO 0.66 1.12 -0.37 0.66 -0.23 0.00 0.00 178.00 179.83 1h0t h SER 39 N 0.82 0.19 0.22 1.44 4.64 -1.93 -2.80 113.55 116.13 1h0t h SER 39 Ca 0.09 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1h0t h SER 39 Cb 0.86 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1h0t h SER 39 CO 0.08 0.55 -0.02 1.67 -0.87 0.00 0.00 176.83 178.24 1h0t n GLN 40 N -4.07 0.83 -0.06 4.77 7.27 -1.22 -4.32 117.38 120.58 1h0t n GLN 40 Ca -0.01 -0.10 -0.07 0.00 0.07 0.00 0.00 57.00 56.88 1h0t n GLN 40 Cb 0.44 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.58 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 0.25 -0.42 -0.47 1.69 4.64 -1.52 0.62 113.55 118.35 1h0t h SER 41 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1h0t h SER 41 Cb 0.17 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1h0t h SER 41 CO 0.00 -0.16 0.30 0.00 -0.87 0.00 0.00 176.83 176.10 1h0t h ALA 42 N 1.15 0.60 -0.70 5.18 0.00 -1.80 0.52 119.26 124.20 1h0t h ALA 42 Ca 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1h0t h ALA 42 Cb 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1h0t h ALA 42 CO -0.33 0.06 0.46 -0.91 0.00 0.00 0.00 179.25 178.54 1h0t h ASN 43 N 0.63 0.72 -0.49 0.00 -0.26 -1.65 0.47 115.58 115.00 1h0t h ASN 43 Ca 0.17 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.82 1h0t h ASN 43 Cb -0.04 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 1h0t h ASN 43 CO -0.03 0.49 -0.02 -0.07 -1.06 0.00 0.00 177.43 176.74 1h0t h LEU 44 N 0.83 0.86 -0.30 1.61 3.38 0.15 0.71 115.31 122.55 1h0t h LEU 44 Ca 0.28 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1h0t h LEU 44 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1h0t h LEU 44 CO -0.08 0.97 -0.26 0.25 0.09 0.00 0.00 178.44 179.41 1h0t h LEU 45 N 0.73 0.75 -0.58 1.67 5.85 -0.05 0.33 115.31 124.02 1h0t h LEU 45 Ca 0.14 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.44 1h0t h LEU 45 Cb 0.54 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1h0t h LEU 45 CO 0.03 1.05 0.31 0.00 -0.34 0.00 0.00 178.44 179.49 1h0t h ALA 46 N 0.72 0.75 -0.22 1.25 0.00 0.31 1.01 119.26 123.08 1h0t h ALA 46 Ca 0.05 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1h0t h ALA 46 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1h0t h ALA 46 CO 0.07 -0.01 -0.50 1.05 0.00 0.00 0.00 179.25 179.85 1h0t h GLU 47 N 0.60 0.60 -0.52 0.00 4.11 0.56 0.94 114.58 120.87 1h0t h GLU 47 Ca 0.25 -0.35 -0.08 0.00 0.07 0.00 0.00 59.36 59.25 1h0t h GLU 47 Cb 0.13 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1h0t h GLU 47 CO -0.16 0.96 0.01 0.00 0.07 0.00 0.00 179.01 179.89 1h0t h ALA 48 N 0.98 1.04 -0.04 1.06 0.00 0.57 0.39 119.26 123.26 1h0t h ALA 48 Ca 0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 1h0t h ALA 48 Cb 1.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1h0t h ALA 48 CO 0.10 0.60 -0.80 0.87 0.00 0.00 0.00 179.25 180.01 1h0t h LYS 49 N 0.80 0.33 -0.78 0.00 1.57 0.13 0.11 116.57 118.74 1h0t h LYS 49 Ca 0.15 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1h0t h LYS 49 Cb 0.47 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1h0t h LYS 49 CO 0.02 0.97 0.41 -0.22 -0.57 0.00 0.00 179.45 180.06 1h0t h LYS 50 N 0.21 1.09 -0.29 3.15 3.64 0.14 0.09 116.57 124.59 1h0t h LYS 50 Ca -0.04 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.03 1h0t h LYS 50 Cb 1.40 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1h0t h LYS 50 CO 0.13 0.81 -0.50 -0.07 -2.27 0.00 0.00 179.45 177.56 1h0t h LEU 51 N 1.09 0.89 -0.61 5.20 4.07 0.17 -0.55 115.31 125.58 1h0t h LEU 51 Ca 0.27 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1h0t h LEU 51 Cb 0.06 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.51 1h0t h LEU 51 CO -0.04 1.23 0.40 -1.13 -1.08 0.00 0.00 178.44 177.82 1h0t h ASN 52 N 0.64 0.71 0.20 -0.43 -1.24 0.35 0.78 115.58 116.58 1h0t h ASN 52 Ca 0.03 -0.03 -0.28 0.00 0.71 0.00 0.00 56.30 56.74 1h0t h ASN 52 Cb 1.08 -0.18 0.03 0.00 0.73 0.00 0.00 38.32 39.99 1h0t h ASN 52 CO 0.11 0.52 -1.20 -0.78 -1.29 0.00 0.00 177.43 174.79 1h0t h ASP 53 N 0.83 0.72 -0.57 1.15 3.58 -1.01 -0.80 116.42 120.32 1h0t h ASP 53 Ca 0.22 -0.92 -0.04 0.00 0.42 0.00 0.00 57.03 56.71 1h0t h ASP 53 Cb -0.08 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.71 1h0t h ASP 53 CO -0.05 1.58 0.18 0.00 -2.88 0.00 0.00 179.24 178.08 1h0t h ALA 54 N 0.14 0.75 -0.00 -0.78 0.00 -1.05 -2.44 119.26 115.88 1h0t h ALA 54 Ca -0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1h0t h ALA 54 Cb 1.94 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1h0t h ALA 54 CO 0.23 0.41 -0.23 1.04 0.00 0.00 0.00 179.25 180.69 1h0t n GLN 55 N -4.44 0.52 -1.87 0.00 6.02 0.26 -4.94 117.38 112.93 1h0t n GLN 55 Ca 0.03 -0.24 -0.37 0.00 -0.01 0.00 0.00 57.00 56.41 1h0t n GLN 55 Cb 0.20 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.02 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 -2.65 2.47 0.33 -1.58 0.00 -0.31 -4.93 121.76 115.09 1h0t s ALA 56 Ca 0.22 1.13 0.11 0.00 0.00 0.00 0.00 51.96 53.41 1h0t s ALA 56 Cb 0.19 -3.51 0.58 0.00 0.00 0.00 0.00 23.12 20.38 1h0t s ALA 56 CO 0.54 -1.39 1.75 -1.00 0.00 0.00 0.00 175.76 175.67 1h0t h PRO 57 N 0.73 0.06 0.00 0.00 0.13 -1.87 -3.49 132.00 127.56 1h0t h PRO 57 Ca -0.51 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1h0t h PRO 57 Cb 1.32 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1h0t h PRO 57 CO 0.54 0.48 0.00 1.17 -0.23 0.00 0.00 178.00 179.96