#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 256b s ASP 2 N 0.00 3.51 0.15 0.00 1.11 -1.26 -4.79 116.67 115.39 256b s ASP 2 Ca 0.00 2.36 -0.17 0.00 0.18 0.00 0.00 52.55 54.93 256b s ASP 2 Cb 0.00 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.42 256b s ASP 2 CO 0.00 -2.72 1.78 0.25 1.18 0.00 0.00 175.17 175.66 256b h LEU 3 N -0.99 0.28 -1.20 1.23 5.85 -1.94 -1.05 115.31 117.49 256b h LEU 3 Ca -0.46 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 256b h LEU 3 Cb 1.30 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 256b h LEU 3 CO 0.46 0.21 0.28 -0.08 -0.34 0.00 0.00 178.44 178.96 256b h GLU 4 N 0.38 0.83 -0.31 1.25 4.81 -2.00 -1.31 114.58 118.23 256b h GLU 4 Ca 0.14 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 256b h GLU 4 Cb 0.03 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 256b h GLU 4 CO -0.08 0.65 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.26 256b h ASP 5 N 0.83 0.67 -0.36 1.04 3.32 -1.78 -1.89 116.42 118.25 256b h ASP 5 Ca 0.21 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 256b h ASP 5 Cb 0.10 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 256b h ASP 5 CO -0.03 0.93 0.16 0.78 -1.72 0.00 0.00 179.24 179.36 256b h ASN 6 N 0.42 0.53 -0.39 6.45 2.35 -0.89 -1.52 115.58 122.54 256b h ASN 6 Ca 0.07 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 256b h ASN 6 Cb 0.67 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 256b h ASN 6 CO 0.05 0.49 -0.21 0.24 -1.65 0.00 0.00 177.43 176.34 256b h MET 7 N 0.59 0.89 -0.27 0.81 2.86 -0.90 -1.08 114.93 117.82 256b h MET 7 Ca 0.14 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 256b h MET 7 Cb 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 256b h MET 7 CO -0.01 1.01 0.17 1.49 1.06 0.00 0.00 176.91 180.63 256b h GLU 8 N 0.77 0.37 -0.76 1.72 4.81 -0.88 -0.60 114.58 120.01 256b h GLU 8 Ca 0.10 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 256b h GLU 8 Cb 0.76 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 256b h GLU 8 CO 0.06 0.27 0.50 1.15 -0.73 0.00 0.00 179.01 180.26 256b h THR 9 N 0.35 1.20 -0.36 0.32 2.02 -0.98 -0.35 112.91 115.12 256b h THR 9 Ca 0.10 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.91 256b h THR 9 Cb -0.00 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 256b h THR 9 CO -0.02 0.19 0.24 -0.07 0.37 0.00 0.00 175.52 176.23 256b h LEU 10 N 1.03 0.41 -0.04 2.58 3.38 -0.88 -2.05 115.31 119.74 256b h LEU 10 Ca 0.28 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 256b h LEU 10 Cb -0.11 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 256b h LEU 10 CO -0.06 0.30 0.02 -1.13 0.09 0.00 0.00 178.44 177.66 256b h ASN 11 N 0.48 0.05 -0.39 -0.43 -1.24 -0.62 -1.14 115.58 112.29 256b h ASN 11 Ca 0.13 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 256b h ASN 11 Cb -0.05 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 256b h ASN 11 CO -0.03 0.08 0.24 0.44 -1.29 0.00 0.00 177.43 176.87 256b h ASP 12 N 0.01 0.47 0.62 1.15 3.32 -1.06 -2.59 116.42 118.35 256b h ASP 12 Ca 0.01 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 256b h ASP 12 Cb 0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 256b h ASP 12 CO -0.00 0.38 -0.47 0.78 -1.72 0.00 0.00 179.24 178.20 256b h ASN 13 N 0.52 0.00 -0.64 6.45 4.21 -1.28 -2.61 115.58 122.22 256b h ASN 13 Ca 0.14 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.58 256b h ASN 13 Cb -0.01 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.16 256b h ASN 13 CO -0.03 0.47 0.12 0.25 -1.29 0.00 0.00 177.43 176.95 256b h LEU 14 N 0.00 1.02 -1.01 1.61 5.85 -0.86 -2.18 115.31 119.74 256b h LEU 14 Ca -0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 256b h LEU 14 Cb 0.91 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 256b h LEU 14 CO 0.06 1.01 0.17 0.11 -0.34 0.00 0.00 178.44 179.45 256b h LYS 15 N 1.01 0.89 -0.44 1.25 1.57 -1.24 -1.98 116.57 117.64 256b h LYS 15 Ca 0.20 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 256b h LYS 15 Cb 0.41 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 256b h LYS 15 CO 0.01 0.77 0.29 0.28 -0.57 0.00 0.00 179.45 180.23 256b h VAL 16 N 0.86 1.12 -0.40 0.50 2.07 -1.09 -2.69 116.25 116.62 256b h VAL 16 Ca 0.19 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 256b h VAL 16 Cb 0.26 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 256b h VAL 16 CO -0.01 0.11 0.23 0.40 0.02 0.00 0.00 177.57 178.33 256b h ILE 17 N 0.59 1.14 -1.00 4.57 2.04 -1.09 -0.40 117.51 123.37 256b h ILE 17 Ca 0.16 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.76 256b h ILE 17 Cb -0.06 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 256b h ILE 17 CO -0.03 0.14 0.64 -0.33 0.00 0.00 0.00 178.15 178.57 256b h GLU 18 N 0.52 1.08 -0.01 2.37 5.08 -1.08 -2.75 114.58 119.79 256b h GLU 18 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 256b h GLU 18 Cb 0.03 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.03 256b h GLU 18 CO -0.02 0.71 -0.35 1.63 -1.00 0.00 0.00 179.01 179.98 256b n LYS 19 N -4.55 0.87 -1.70 2.33 4.01 -1.04 -5.00 118.16 113.08 256b n LYS 19 Ca 0.16 -0.59 -0.40 0.00 -0.51 0.00 0.00 58.31 56.98 256b n LYS 19 Cb 0.24 -1.49 0.02 0.00 -0.51 0.00 0.00 35.03 33.29 256b n LYS 19 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 256b n ALA 20 N -0.56 1.20 -0.08 7.82 0.00 -0.18 -4.97 120.51 123.74 256b n ALA 20 Ca 0.11 0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.56 256b n ALA 20 Cb 0.38 -2.26 -0.13 0.00 0.00 0.00 0.00 19.45 17.44 256b n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 256b n ASP 21 N -0.10 2.03 -4.09 0.00 8.00 -1.26 -5.06 116.55 116.08 256b n ASP 21 Ca 0.08 0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.40 256b n ASP 21 Cb 0.41 -0.62 -0.09 0.00 -0.02 0.00 0.00 41.12 40.80 256b n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 256b s ASN 22 N -6.78 2.06 0.28 -2.24 2.20 -1.26 -5.05 114.94 104.15 256b s ASN 22 Ca -0.30 -1.57 0.00 0.00 -0.94 0.00 0.00 52.86 50.04 256b s ASN 22 Cb 0.08 0.36 0.40 0.00 -2.00 0.00 0.00 41.25 40.09 256b s ASN 22 CO 0.66 -0.86 1.78 0.00 -2.94 0.00 0.00 177.10 175.73 256b h ALA 23 N 2.06 1.16 -0.85 3.54 0.00 -1.89 -2.66 119.26 120.61 256b h ALA 23 Ca -0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 256b h ALA 23 Cb 1.26 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 256b h ALA 23 CO 0.56 0.54 0.48 0.00 0.00 0.00 0.00 179.25 180.83 256b h ALA 24 N 1.32 1.09 -0.24 0.00 0.00 -1.97 0.04 119.26 119.50 256b h ALA 24 Ca 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 256b h ALA 24 Cb 0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 256b h ALA 24 CO 0.02 0.59 0.05 1.96 0.00 0.00 0.00 179.25 181.87 256b h GLN 25 N 1.19 0.40 -0.17 0.00 4.20 -1.92 -2.18 115.11 116.62 256b h GLN 25 Ca 0.30 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 256b h GLN 25 Cb 0.01 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 256b h GLN 25 CO -0.05 0.52 0.05 0.28 -0.67 0.00 0.00 178.83 178.96 256b h VAL 26 N 0.21 1.19 -0.55 -0.54 2.07 -1.12 -1.93 116.25 115.59 256b h VAL 26 Ca 0.08 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.03 256b h VAL 26 Cb 0.31 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 256b h VAL 26 CO 0.00 0.18 0.34 0.11 0.02 0.00 0.00 177.57 178.23 256b h LYS 27 N 0.10 0.67 0.34 1.57 1.57 -1.02 -0.09 116.57 119.71 256b h LYS 27 Ca 0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 256b h LYS 27 Cb 0.23 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.39 256b h LYS 27 CO -0.00 0.44 -0.17 0.22 -0.57 0.00 0.00 179.45 179.38 256b h ASP 28 N 0.69 -0.39 -0.45 0.86 3.58 -1.29 -1.92 116.42 117.50 256b h ASP 28 Ca 0.22 -0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.66 256b h ASP 28 Cb -0.01 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 256b h ASP 28 CO -0.08 -0.23 0.26 0.00 -2.88 0.00 0.00 179.24 176.32 256b h ALA 29 N 0.11 0.57 -0.86 -0.78 0.00 -1.17 -1.55 119.26 115.58 256b h ALA 29 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 256b h ALA 29 Cb 0.40 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 256b h ALA 29 CO 0.08 -0.06 0.46 -0.07 0.00 0.00 0.00 179.25 179.66 256b h LEU 30 N 0.52 1.08 -0.62 0.00 3.38 -0.94 -0.84 115.31 117.90 256b h LEU 30 Ca 0.18 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 256b h LEU 30 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 256b h LEU 30 CO -0.09 0.88 -0.58 0.74 0.09 0.00 0.00 178.44 179.48 256b h THR 31 N 1.21 1.36 -0.43 0.22 2.02 -0.92 -0.36 112.91 116.02 256b h THR 31 Ca 0.30 -1.89 -0.12 0.00 0.77 0.00 0.00 66.41 65.48 256b h THR 31 Cb 0.04 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 256b h THR 31 CO -0.05 0.57 -0.20 0.11 0.37 0.00 0.00 175.52 176.32 256b h LYS 32 N 0.27 0.88 -0.59 6.66 1.57 -0.96 -2.29 116.57 122.12 256b h LYS 32 Ca -0.00 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.34 256b h LYS 32 Cb 1.09 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 256b h LYS 32 CO 0.10 1.03 0.13 0.52 -0.57 0.00 0.00 179.45 180.66 256b h MET 33 N 0.71 0.92 -0.64 3.15 2.86 -0.77 -2.25 114.93 118.91 256b h MET 33 Ca 0.10 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 256b h MET 33 Cb 0.76 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 256b h MET 33 CO 0.06 0.83 0.36 -0.09 1.06 0.00 0.00 176.91 179.12 256b h ARG 34 N 0.88 0.89 -0.49 1.72 2.43 -0.83 0.21 114.38 119.18 256b h ARG 34 Ca 0.19 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 256b h ARG 34 Cb 0.33 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 256b h ARG 34 CO 0.00 0.66 0.05 0.00 -1.51 0.00 0.00 179.97 179.18 256b h ALA 35 N 1.17 0.65 -0.34 2.80 0.00 -1.18 -2.18 119.26 120.18 256b h ALA 35 Ca 0.23 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 256b h ALA 35 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 256b h ALA 35 CO -0.04 0.41 -0.16 0.00 0.00 0.00 0.00 179.25 179.46 256b h ALA 36 N 0.95 1.07 -0.58 0.00 0.00 -1.01 -1.61 119.26 118.08 256b h ALA 36 Ca 0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 256b h ALA 36 Cb 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 256b h ALA 36 CO 0.01 0.57 0.09 0.00 0.00 0.00 0.00 179.25 179.92 256b h ALA 37 N 1.26 0.77 -0.25 0.00 0.00 -0.71 0.25 119.26 120.57 256b h ALA 37 Ca 0.09 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 256b h ALA 37 Cb 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 256b h ALA 37 CO 0.04 0.53 -0.32 -0.07 0.00 0.00 0.00 179.25 179.42 256b h LEU 38 N 0.86 0.55 -0.15 0.00 3.38 -1.18 -2.30 115.31 116.48 256b h LEU 38 Ca 0.18 -0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 256b h LEU 38 Cb 0.42 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.03 256b h LEU 38 CO 0.01 0.84 -0.61 -0.78 0.09 0.00 0.00 178.44 177.99 256b h ASP 39 N 0.46 0.80 -0.08 -0.43 3.58 -1.06 -3.13 116.42 116.56 256b h ASP 39 Ca 0.05 -0.62 -0.02 0.00 0.42 0.00 0.00 57.03 56.87 256b h ASP 39 Cb 0.79 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 256b h ASP 39 CO 0.06 1.29 0.01 0.00 -2.88 0.00 0.00 179.24 177.72 256b h ALA 40 N 0.54 1.73 0.00 -0.78 0.00 -0.80 -2.54 119.26 117.41 256b h ALA 40 Ca -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 256b h ALA 40 Cb 1.25 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 256b h ALA 40 CO 0.13 0.21 -0.00 0.37 0.00 0.00 0.00 179.25 179.96 256b h GLN 41 N 0.22 0.00 -0.01 0.00 4.15 -1.35 -1.48 115.11 116.65 256b h GLN 41 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 256b h GLN 41 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 256b h GLN 41 CO 0.00 0.00 -0.27 0.36 -1.93 0.00 0.00 178.83 176.99 256b n LYS 42 N -3.08 0.60 -2.13 1.69 2.85 -0.95 -4.82 118.16 112.32 256b n LYS 42 Ca -0.03 -0.32 -0.27 0.00 -1.05 0.00 0.00 58.31 56.64 256b n LYS 42 Cb 0.09 -1.49 0.10 0.00 -0.65 0.00 0.00 35.03 33.08 256b n LYS 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 256b s ALA 43 N -2.62 2.92 -0.22 0.58 0.00 -0.56 -5.08 121.76 116.77 256b s ALA 43 Ca 0.22 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.16 256b s ALA 43 Cb 0.19 -2.64 0.04 0.00 0.00 0.00 0.00 23.12 20.72 256b s ALA 43 CO 0.55 -1.65 -0.13 0.99 0.00 0.00 0.00 175.76 175.51 256b s THR 44 N -3.45 2.00 0.53 0.00 2.01 -1.26 -5.02 115.64 110.45 256b s THR 44 Ca 0.64 -1.28 -0.20 0.00 0.31 0.00 0.00 61.69 61.16 256b s THR 44 Cb -0.09 -2.02 -0.06 0.00 0.01 0.00 0.00 72.50 70.35 256b s THR 44 CO 0.47 0.18 1.16 -2.16 -0.69 0.00 0.00 174.62 173.58 256b s PRO 45 N 1.23 3.39 0.26 4.92 0.04 -1.26 -4.89 135.00 138.68 256b s PRO 45 Ca -0.03 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 256b s PRO 45 Cb -0.17 -2.10 0.54 0.00 0.04 0.00 0.00 34.50 32.81 256b s PRO 45 CO -0.08 -0.84 1.70 -1.35 0.04 0.00 0.00 177.00 176.46 256b h PRO 46 N 1.36 0.33 -0.17 0.56 0.11 -2.00 -1.08 132.00 131.12 256b h PRO 46 Ca -0.50 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.64 256b h PRO 46 Cb 1.27 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 256b h PRO 46 CO 0.57 0.22 0.15 0.87 -0.21 0.00 0.00 178.00 179.60 256b h LYS 47 N 0.34 0.00 -0.48 1.05 1.79 -1.92 -2.44 116.57 114.91 256b h LYS 47 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 256b h LYS 47 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 256b h LYS 47 CO -0.50 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.15 256b n LEU 48 N -4.10 3.61 0.07 2.94 4.77 -0.43 -4.68 117.00 119.17 256b n LEU 48 Ca 0.01 -2.20 0.20 0.00 -0.03 0.00 0.00 56.01 53.99 256b n LEU 48 Cb 0.27 -0.39 0.74 0.00 -2.33 0.00 0.00 43.42 41.71 256b n LEU 48 CO 0.31 0.80 1.18 -0.33 -1.33 0.00 0.00 177.39 178.01 256b h GLU 49 N 2.89 0.00 0.00 3.23 5.08 -1.25 -2.00 114.58 122.54 256b h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 256b h GLU 49 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 256b h GLU 49 CO 0.07 0.00 -0.32 -0.40 -1.00 0.00 0.00 179.01 177.36 256b n ASP 50 N -4.05 0.63 -4.88 1.42 5.68 -1.26 -4.92 116.55 109.16 256b n ASP 50 Ca 0.07 0.28 -0.29 0.00 -0.50 0.00 0.00 54.79 54.35 256b n ASP 50 Cb 0.56 -0.24 -0.02 0.00 -1.14 0.00 0.00 41.12 40.28 256b n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 256b s LYS 51 N -3.10 3.69 0.58 0.11 -0.14 -0.75 -5.06 119.74 115.07 256b s LYS 51 Ca 0.09 0.43 -0.17 0.00 -1.36 0.00 0.00 55.97 54.96 256b s LYS 51 Cb 0.14 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 256b s LYS 51 CO 0.65 -0.15 1.09 -1.54 -0.76 0.00 0.00 175.35 174.63 256b s SER 52 N -3.57 5.67 0.57 2.83 1.04 -1.26 -4.92 113.70 114.06 256b s SER 52 Ca 0.51 1.97 0.25 0.00 0.48 0.00 0.00 55.95 59.15 256b s SER 52 Cb -0.10 -2.55 1.62 0.00 0.10 0.00 0.00 66.02 65.08 256b s SER 52 CO 0.38 -1.25 2.20 1.55 0.98 0.00 0.00 173.24 177.10 256b h PRO 53 N 0.67 0.00 -0.51 4.02 0.13 -1.97 -1.85 132.00 132.50 256b h PRO 53 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 256b h PRO 53 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 256b h PRO 53 CO 0.57 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.94 256b n ASP 54 N -4.08 4.54 -4.76 1.44 3.85 -1.26 -4.65 116.55 111.63 256b n ASP 54 Ca -0.02 -2.61 -0.30 0.00 -0.71 0.00 0.00 54.79 51.15 256b n ASP 54 Cb 0.13 -0.55 0.10 0.00 -1.35 0.00 0.00 41.12 39.45 256b n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 256b s SER 55 N -1.13 4.29 0.26 -1.12 1.04 -0.70 -4.83 113.70 111.52 256b s SER 55 Ca 0.47 1.64 -0.03 0.00 0.48 0.00 0.00 55.95 58.50 256b s SER 55 Cb 0.32 -2.36 0.42 0.00 0.10 0.00 0.00 66.02 64.51 256b s SER 55 CO 0.19 -2.14 1.84 -0.65 0.98 0.00 0.00 173.24 173.45 256b h PRO 56 N -1.21 0.94 -0.11 4.02 0.11 -1.95 -0.58 132.00 133.23 256b h PRO 56 Ca -0.46 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 256b h PRO 56 Cb 1.25 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 256b h PRO 56 CO 0.54 0.62 0.04 0.93 -0.21 0.00 0.00 178.00 179.92 256b h GLU 57 N 0.97 0.17 -0.80 1.05 3.07 -1.93 -0.65 114.58 116.46 256b h GLU 57 Ca 0.42 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.22 256b h GLU 57 Cb 0.31 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 256b h GLU 57 CO -0.22 0.29 0.35 0.52 -1.40 0.00 0.00 179.01 178.55 256b h MET 58 N 0.01 1.17 -0.57 2.33 2.86 -1.73 -0.38 114.93 118.62 256b h MET 58 Ca 0.04 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 256b h MET 58 Cb 0.19 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 256b h MET 58 CO -0.00 0.93 0.08 0.87 1.06 0.00 0.00 176.91 179.84 256b h LYS 59 N 1.14 0.92 -0.47 1.72 1.57 -0.90 -1.29 116.57 119.26 256b h LYS 59 Ca 0.27 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 256b h LYS 59 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 256b h LYS 59 CO -0.03 0.87 -0.15 0.22 -0.57 0.00 0.00 179.45 179.79 256b h ASP 60 N 0.87 0.90 -0.17 0.86 3.58 -0.52 -0.53 116.42 121.40 256b h ASP 60 Ca 0.18 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.33 256b h ASP 60 Cb 0.40 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 256b h ASP 60 CO 0.01 1.04 0.11 0.15 -2.88 0.00 0.00 179.24 177.68 256b h PHE 61 N 0.79 0.22 -0.74 0.28 3.57 -0.64 -2.36 116.94 118.06 256b h PHE 61 Ca 0.12 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 256b h PHE 61 Cb 0.68 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 256b h PHE 61 CO 0.04 0.14 0.28 0.00 -2.23 0.00 0.00 178.31 176.54 256b h ARG 62 N 0.23 1.12 -0.61 1.11 3.08 -1.02 -2.59 114.38 115.70 256b h ARG 62 Ca 0.06 -0.21 0.09 0.00 0.07 0.00 0.00 59.98 59.99 256b h ARG 62 Cb -0.03 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 256b h ARG 62 CO -0.01 0.93 0.41 1.25 -1.07 0.00 0.00 179.97 181.47 256b h HIS 63 N 1.08 0.49 -0.92 3.04 2.76 -0.76 -1.02 115.15 119.81 256b h HIS 63 Ca 0.25 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.51 256b h HIS 63 Cb 0.24 -0.16 -0.07 0.00 1.55 0.00 0.00 27.41 28.97 256b h HIS 63 CO 0.02 0.24 0.59 0.78 -1.30 0.00 0.00 177.93 178.26 256b h GLY 64 N 0.47 1.36 1.85 5.26 0.00 -1.01 -0.80 103.07 110.19 256b h GLY 64 Ca 0.28 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 47.05 256b h GLY 64 CO -0.08 0.24 -0.71 0.74 0.00 0.00 0.00 176.54 176.73 256b h PHE 65 N 0.97 0.20 -0.64 5.60 -1.00 -1.27 -1.69 116.94 119.11 256b h PHE 65 Ca 0.42 -0.09 -0.07 0.00 2.81 0.00 0.00 57.97 61.03 256b h PHE 65 Cb 0.33 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.84 256b h PHE 65 CO -0.00 0.81 0.11 -0.44 -1.61 0.00 0.00 178.31 177.18 256b h ASP 66 N 0.10 1.00 -0.23 2.17 3.32 -1.00 0.11 116.42 121.89 256b h ASP 66 Ca -0.02 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 256b h ASP 66 Cb 1.26 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 256b h ASP 66 CO 0.10 1.00 0.09 0.40 -1.72 0.00 0.00 179.24 179.12 256b h ILE 67 N 0.96 1.17 -0.55 0.35 2.04 -1.07 -1.51 117.51 118.90 256b h ILE 67 Ca 0.20 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 256b h ILE 67 Cb 0.42 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 256b h ILE 67 CO 0.01 0.17 0.32 0.25 0.00 0.00 0.00 178.15 178.90 256b h LEU 68 N 0.22 0.68 -0.66 1.44 5.85 -1.05 -1.69 115.31 120.09 256b h LEU 68 Ca 0.08 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 256b h LEU 68 Cb 0.19 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 256b h LEU 68 CO -0.01 0.55 0.30 0.58 -0.34 0.00 0.00 178.44 179.53 256b h VAL 69 N 0.74 1.23 -0.65 1.05 2.07 -0.72 -0.61 116.25 119.36 256b h VAL 69 Ca 0.20 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 256b h VAL 69 Cb 0.01 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 256b h VAL 69 CO -0.03 0.27 0.32 1.23 0.02 0.00 0.00 177.57 179.37 256b h GLY 70 N 0.92 0.97 0.91 2.17 0.00 -0.75 0.13 103.07 107.41 256b h GLY 70 Ca 0.22 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 256b h GLY 70 CO -0.03 0.43 -0.11 1.46 0.00 0.00 0.00 176.54 178.29 256b h GLN 71 N 0.91 0.62 -0.64 4.80 4.20 -0.74 -2.26 115.11 122.00 256b h GLN 71 Ca 0.23 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.70 256b h GLN 71 Cb 0.08 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 256b h GLN 71 CO -0.03 0.83 0.40 0.82 -0.67 0.00 0.00 178.83 180.18 256b h ILE 72 N 0.38 1.10 -0.78 2.54 2.04 -0.66 -2.27 117.51 119.86 256b h ILE 72 Ca 0.07 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 256b h ILE 72 Cb 0.62 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 256b h ILE 72 CO 0.04 0.15 0.39 0.44 0.00 0.00 0.00 178.15 179.16 256b h ASP 73 N 0.80 1.01 -0.54 1.72 3.32 -0.78 0.64 116.42 122.58 256b h ASP 73 Ca 0.25 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 256b h ASP 73 Cb -0.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 256b h ASP 73 CO -0.09 0.84 0.27 0.44 -1.72 0.00 0.00 179.24 178.98 256b h ASP 74 N 1.11 0.70 -0.08 6.45 3.32 -1.10 -1.35 116.42 125.47 256b h ASP 74 Ca 0.27 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 256b h ASP 74 Cb 0.09 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 256b h ASP 74 CO -0.04 0.62 -0.40 0.00 -1.72 0.00 0.00 179.24 177.70 256b h ALA 75 N 1.11 0.82 -0.50 3.45 0.00 -0.96 -3.01 119.26 120.17 256b h ALA 75 Ca 0.19 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 256b h ALA 75 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 256b h ALA 75 CO -0.03 0.65 0.05 -0.07 0.00 0.00 0.00 179.25 179.86 256b h LEU 76 N 0.50 0.76 -0.57 0.00 3.38 -0.49 -1.50 115.31 117.38 256b h LEU 76 Ca 0.04 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.87 256b h LEU 76 Cb 0.92 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 256b h LEU 76 CO 0.08 0.80 0.35 0.50 0.09 0.00 0.00 178.44 180.26 256b h LYS 77 N 0.76 0.68 -0.04 1.13 1.63 -1.13 -0.54 116.57 119.06 256b h LYS 77 Ca 0.16 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 256b h LYS 77 Cb 0.39 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 256b h LYS 77 CO 0.01 0.45 0.00 -0.07 -3.45 0.00 0.00 179.45 176.39 256b h LEU 78 N 0.70 0.06 -0.80 5.20 3.38 -1.36 -2.93 115.31 119.56 256b h LEU 78 Ca 0.23 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.98 256b h LEU 78 Cb 0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 256b h LEU 78 CO -0.09 0.33 0.48 0.00 0.09 0.00 0.00 178.44 179.24 256b h ALA 79 N 0.74 1.10 0.00 1.53 0.00 -1.08 -0.72 119.26 120.83 256b h ALA 79 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 256b h ALA 79 Cb 0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 256b h ALA 79 CO 0.00 0.19 -0.02 -0.91 0.00 0.00 0.00 179.25 178.51 256b h ASN 80 N 0.87 0.00 -0.00 0.00 -0.26 -0.94 -0.96 115.58 114.28 256b h ASN 80 Ca 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 256b h ASN 80 Cb 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 256b h ASN 80 CO -0.19 0.02 -0.02 -0.62 -1.06 0.00 0.00 177.43 175.57 256b n GLU 81 N -3.31 1.65 -0.95 0.81 1.02 -0.33 -4.92 120.64 114.62 256b n GLU 81 Ca -0.02 -0.98 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 256b n GLU 81 Cb 0.14 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 256b n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 256b n GLY 82 N 1.19 0.57 3.32 0.62 0.00 -0.37 -4.97 105.19 105.55 256b n GLY 82 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 256b n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 256b n LYS 83 N -2.86 3.35 0.06 1.61 5.02 -0.88 -4.85 118.16 119.61 256b n LYS 83 Ca 0.00 -3.60 -0.12 0.00 -2.02 0.00 0.00 58.31 52.58 256b n LYS 83 Cb 0.00 -3.12 -0.06 0.00 -0.02 0.00 0.00 35.03 31.83 256b n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 256b h VAL 84 N 4.60 0.82 -0.37 -0.18 2.07 -1.88 -1.29 116.25 120.01 256b h VAL 84 Ca 0.38 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.93 256b h VAL 84 Cb 0.81 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 256b h VAL 84 CO 1.41 0.00 0.16 0.50 0.02 0.00 0.00 177.57 179.66 256b h LYS 85 N -0.14 0.33 -0.69 1.57 1.63 -1.97 -0.22 116.57 117.07 256b h LYS 85 Ca 0.02 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 256b h LYS 85 Cb 0.16 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 256b h LYS 85 CO -0.06 0.22 0.26 0.93 -3.45 0.00 0.00 179.45 177.35 256b h GLU 86 N 0.34 1.03 -0.55 1.90 3.07 -1.94 -1.32 114.58 117.10 256b h GLU 86 Ca 0.16 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 256b h GLU 86 Cb 0.11 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 256b h GLU 86 CO -0.14 0.84 0.09 0.00 -1.40 0.00 0.00 179.01 178.41 256b h ALA 87 N 1.28 0.73 -0.71 3.43 0.00 -0.47 -1.72 119.26 121.81 256b h ALA 87 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 256b h ALA 87 Cb 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 256b h ALA 87 CO -0.02 0.47 0.31 1.96 0.00 0.00 0.00 179.25 181.97 256b h GLN 88 N 0.80 1.05 -0.59 0.00 4.20 -0.68 -1.23 115.11 118.66 256b h GLN 88 Ca 0.17 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 256b h GLN 88 Cb 0.40 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 256b h GLN 88 CO 0.01 0.85 0.15 0.00 -0.67 0.00 0.00 178.83 179.16 256b h ALA 89 N 1.15 0.77 -0.49 3.87 0.00 -1.02 -2.11 119.26 121.43 256b h ALA 89 Ca 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 256b h ALA 89 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 256b h ALA 89 CO -0.02 0.47 0.13 0.00 0.00 0.00 0.00 179.25 179.83 256b h ALA 90 N 1.03 1.31 0.00 0.00 0.00 -1.05 -2.47 119.26 118.08 256b h ALA 90 Ca 0.18 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 256b h ALA 90 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 256b h ALA 90 CO 0.00 0.49 -0.51 0.00 0.00 0.00 0.00 179.25 179.23 256b h ALA 91 N 1.43 1.15 0.00 0.00 0.00 -0.81 -2.59 119.26 118.43 256b h ALA 91 Ca 0.16 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 256b h ALA 91 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 256b h ALA 91 CO -0.00 0.64 -0.01 0.93 0.00 0.00 0.00 179.25 180.81 256b h GLU 92 N 0.00 0.00 0.00 0.00 4.39 -0.89 -1.13 114.58 116.94 256b h GLU 92 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 256b h GLU 92 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 256b h GLU 92 CO 0.07 0.01 0.00 1.96 -1.16 0.00 0.00 179.01 179.88 256b h GLN 93 N 0.00 0.00 -0.11 2.33 4.20 -1.52 -2.27 115.11 117.74 256b h GLN 93 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 256b h GLN 93 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 256b h GLN 93 CO 0.00 0.00 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.08 256b h LEU 94 N 0.00 0.13 -0.96 1.46 3.38 -1.35 -2.39 115.31 115.59 256b h LEU 94 Ca 0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 256b h LEU 94 Cb 0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 256b h LEU 94 CO 0.00 0.18 -0.21 0.11 0.09 0.00 0.00 178.44 178.60 256b h LYS 95 N 0.15 0.51 -0.48 1.13 1.57 -1.57 -0.98 116.57 116.90 256b h LYS 95 Ca 0.04 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 256b h LYS 95 Cb 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 256b h LYS 95 CO 0.00 0.70 0.15 1.15 -0.57 0.00 0.00 179.45 180.88 256b h THR 96 N 0.46 1.23 -0.16 -0.16 2.02 -1.59 0.73 112.91 115.44 256b h THR 96 Ca 0.07 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 256b h THR 96 Cb 0.63 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 256b h THR 96 CO 0.04 0.28 0.10 0.74 0.37 0.00 0.00 175.52 177.05 256b h THR 97 N 0.64 1.07 -0.26 3.16 2.02 -1.46 -1.12 112.91 116.96 256b h THR 97 Ca 0.15 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.22 256b h THR 97 Cb 0.27 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 256b h THR 97 CO -0.00 0.07 -0.13 -0.09 0.37 0.00 0.00 175.52 175.74 256b h ARG 98 N 0.19 -0.09 -0.85 6.66 2.43 -0.97 -1.18 114.38 120.57 256b h ARG 98 Ca 0.06 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 256b h ARG 98 Cb 0.02 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 256b h ARG 98 CO -0.01 -0.06 0.43 -0.91 -1.51 0.00 0.00 179.97 177.90 256b h ASN 99 N -0.10 1.10 -0.24 -3.80 -0.26 -0.46 -0.22 115.58 111.61 256b h ASN 99 Ca 0.14 -0.13 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 256b h ASN 99 Cb 0.30 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 256b h ASN 99 CO -0.32 0.92 -0.01 0.00 -1.06 0.00 0.00 177.43 176.96 256b h ALA 100 N 1.23 0.32 0.00 -0.83 0.00 -0.91 -1.87 119.26 117.20 256b h ALA 100 Ca 0.29 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 256b h ALA 100 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 256b h ALA 100 CO -0.04 0.06 -0.86 1.88 0.00 0.00 0.00 179.25 180.29 256b h TYR 101 N 0.19 0.06 -0.50 0.00 0.05 -1.08 -2.92 116.97 112.77 256b h TYR 101 Ca 0.07 -0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.69 256b h TYR 101 Cb 0.42 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 256b h TYR 101 CO 0.04 0.88 -0.18 0.45 -1.05 0.00 0.00 178.16 178.30 256b h HIS 102 N 0.02 1.14 -0.82 4.88 3.86 -1.06 -0.35 115.15 122.82 256b h HIS 102 Ca -0.02 -0.26 0.06 0.00 -1.16 0.00 0.00 60.37 58.99 256b h HIS 102 Cb 1.51 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 29.65 256b h HIS 102 CO 0.01 1.09 0.50 0.37 0.86 0.00 0.00 177.93 180.75 256b h GLN 103 N 0.86 0.88 0.16 2.45 5.75 -1.25 -0.84 115.11 123.12 256b h GLN 103 Ca 0.12 -0.05 -0.30 0.00 -0.15 0.00 0.00 58.65 58.26 256b h GLN 103 Cb 0.75 -0.20 0.03 0.00 1.07 0.00 0.00 27.48 29.14 256b h GLN 103 CO 0.06 0.58 -1.28 0.87 -2.65 0.00 0.00 178.83 176.41 256b h LYS 104 N 0.91 0.59 0.00 1.69 1.57 -1.31 -3.42 116.57 116.60 256b h LYS 104 Ca 0.36 -0.84 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 256b h LYS 104 Cb 0.18 0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.78 256b h LYS 104 CO -0.18 1.39 0.00 0.66 -0.57 0.00 0.00 179.45 180.75 256b n TYR 105 N -3.80 0.00 1.80 -1.35 4.02 -0.17 -5.11 117.16 112.55 256b n TYR 105 Ca -0.15 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.90 256b n TYR 105 Cb 1.01 0.00 0.78 0.00 -0.02 0.00 0.00 39.34 41.11 256b n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72