#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 4.62 0.19 0.00 1.47 -1.26 -4.86 116.67 116.83 256b s ASP 2 Ca 0.00 0.59 -0.12 0.00 1.18 0.00 0.00 52.55 54.20 256b s ASP 2 Cb 0.00 -1.15 0.14 0.00 -0.34 0.00 0.00 42.92 41.57 256b s ASP 2 CO 0.00 -1.77 1.82 0.25 0.68 0.00 0.00 175.17 176.15 256b h LEU 3 N -0.84 0.57 -0.71 2.11 5.85 -1.92 -1.45 115.31 118.92 256b h LEU 3 Ca -0.45 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 256b h LEU 3 Cb 1.32 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 256b h LEU 3 CO 0.62 0.40 0.26 -0.08 -0.34 0.00 0.00 178.44 179.29 256b h GLU 4 N 0.70 1.09 -0.43 1.25 4.81 -1.99 -0.80 114.58 119.20 256b h GLU 4 Ca 0.24 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 256b h GLU 4 Cb 0.04 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 256b h GLU 4 CO -0.11 0.92 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.50 256b h ASP 5 N 1.04 0.79 -0.19 1.04 3.32 -1.85 -1.73 116.42 118.84 256b h ASP 5 Ca 0.23 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 256b h ASP 5 Cb 0.26 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 256b h ASP 5 CO -0.01 0.95 -0.23 0.78 -1.72 0.00 0.00 179.24 179.00 256b h ASN 6 N 0.71 0.65 -0.71 6.45 2.35 -1.02 -1.42 115.58 122.59 256b h ASN 6 Ca 0.11 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 256b h ASN 6 Cb 0.65 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 256b h ASN 6 CO 0.05 0.87 0.19 0.24 -1.65 0.00 0.00 177.43 177.13 256b h MET 7 N 0.57 1.14 -0.70 0.81 2.86 -0.70 -1.43 114.93 117.47 256b h MET 7 Ca 0.08 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 256b h MET 7 Cb 0.70 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 256b h MET 7 CO 0.05 0.99 0.23 0.93 1.06 0.00 0.00 176.91 180.17 256b h GLU 8 N 1.08 1.07 -0.86 1.72 4.39 -1.05 -1.59 114.58 119.34 256b h GLU 8 Ca 0.23 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 256b h GLU 8 Cb 0.35 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 256b h GLU 8 CO -0.00 0.92 0.46 1.15 -1.16 0.00 0.00 179.01 180.38 256b h THR 9 N 1.02 1.25 -0.63 1.13 2.02 -0.82 0.37 112.91 117.26 256b h THR 9 Ca 0.23 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 256b h THR 9 Cb 0.28 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 256b h THR 9 CO -0.01 0.29 0.27 -0.07 0.37 0.00 0.00 175.52 176.37 256b h LEU 10 N 1.21 0.85 -0.41 2.58 3.38 -0.85 -2.20 115.31 119.86 256b h LEU 10 Ca 0.30 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 256b h LEU 10 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 256b h LEU 10 CO -0.05 0.77 0.10 -1.13 0.09 0.00 0.00 178.44 178.22 256b h ASN 11 N 0.88 0.62 -0.27 -0.43 -1.24 -0.86 -1.50 115.58 112.76 256b h ASN 11 Ca 0.21 -0.23 0.04 0.00 0.71 0.00 0.00 56.30 57.03 256b h ASN 11 Cb 0.17 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 256b h ASN 11 CO -0.02 0.69 0.06 0.44 -1.29 0.00 0.00 177.43 177.31 256b h ASP 12 N 0.52 0.04 0.43 1.15 3.32 -0.76 -2.72 116.42 118.39 256b h ASP 12 Ca 0.13 0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 256b h ASP 12 Cb 0.31 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 256b h ASP 12 CO 0.00 0.05 -0.68 0.78 -1.72 0.00 0.00 179.24 177.68 256b h ASN 13 N 0.17 0.26 -0.88 6.45 4.21 -1.31 -2.58 115.58 121.89 256b h ASN 13 Ca 0.12 -0.16 -0.00 0.00 1.21 0.00 0.00 56.30 57.47 256b h ASN 13 Cb 0.12 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.20 256b h ASN 13 CO -0.16 0.86 0.53 0.25 -1.29 0.00 0.00 177.43 177.63 256b h LEU 14 N 0.15 1.06 -0.52 1.61 5.85 -1.04 -0.74 115.31 121.68 256b h LEU 14 Ca -0.02 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 256b h LEU 14 Cb 1.22 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 256b h LEU 14 CO 0.10 0.81 -0.25 0.07 -0.34 0.00 0.00 178.44 178.83 256b h LYS 15 N 1.21 0.94 -0.55 1.25 5.09 -1.41 -2.00 116.57 121.10 256b h LYS 15 Ca 0.32 -0.41 0.02 0.00 0.09 0.00 0.00 60.65 60.66 256b h LYS 15 Cb -0.05 -0.02 -0.03 0.00 0.10 0.00 0.00 32.23 32.22 256b h LYS 15 CO -0.06 1.07 0.34 0.28 -2.09 0.00 0.00 179.45 179.00 256b h VAL 16 N 0.80 1.09 -0.78 0.07 2.07 -1.03 -2.26 116.25 116.22 256b h VAL 16 Ca 0.10 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 256b h VAL 16 Cb 0.82 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 256b h VAL 16 CO 0.07 0.13 0.41 0.40 0.02 0.00 0.00 177.57 178.60 256b h ILE 17 N 0.69 1.24 -0.88 4.57 2.04 -0.92 -0.97 117.51 123.26 256b h ILE 17 Ca 0.21 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 256b h ILE 17 Cb -0.02 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.23 256b h ILE 17 CO -0.08 0.27 0.52 -0.33 0.00 0.00 0.00 178.15 178.53 256b h GLU 18 N 1.08 1.20 -0.07 2.37 5.08 -0.80 -3.00 114.58 120.44 256b h GLU 18 Ca 0.27 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 256b h GLU 18 Cb 0.05 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.05 256b h GLU 18 CO -0.04 0.85 0.00 1.63 -1.00 0.00 0.00 179.01 180.45 256b n LYS 19 N -4.36 2.16 -1.79 2.33 4.01 -0.96 -5.01 118.16 114.53 256b n LYS 19 Ca 0.10 -1.69 -0.39 0.00 -0.51 0.00 0.00 58.31 55.81 256b n LYS 19 Cb 0.07 -1.47 0.03 0.00 -0.51 0.00 0.00 35.03 33.15 256b n LYS 19 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 256b s ALA 20 N -1.94 3.02 -0.17 7.82 0.00 -0.39 -4.98 121.76 125.13 256b s ALA 20 Ca 0.32 1.40 0.17 0.00 0.00 0.00 0.00 51.96 53.84 256b s ALA 20 Cb 0.20 -3.58 -0.25 0.00 0.00 0.00 0.00 23.12 19.50 256b s ALA 20 CO 0.31 -1.29 0.43 -0.40 0.00 0.00 0.00 175.76 174.81 256b n ASP 21 N -0.63 1.06 -3.35 0.00 5.75 -1.26 -5.05 116.55 113.06 256b n ASP 21 Ca 0.08 -0.17 -0.15 0.00 -0.01 0.00 0.00 54.79 54.54 256b n ASP 21 Cb 0.43 1.63 -0.05 0.00 -1.03 0.00 0.00 41.12 42.10 256b n ASP 21 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 256b s ASN 22 N -3.69 0.91 0.18 -1.12 2.20 -1.26 -5.06 114.94 107.10 256b s ASN 22 Ca -0.04 -1.48 -0.07 0.00 -0.94 0.00 0.00 52.86 50.33 256b s ASN 22 Cb 0.11 0.63 0.08 0.00 -2.00 0.00 0.00 41.25 40.08 256b s ASN 22 CO 0.70 -1.24 1.54 0.00 -2.94 0.00 0.00 177.10 175.16 256b h ALA 23 N 2.15 0.72 -0.70 3.54 0.00 -1.97 -2.99 119.26 120.01 256b h ALA 23 Ca -0.28 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.21 256b h ALA 23 Cb 1.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 256b h ALA 23 CO 0.39 0.66 0.45 0.00 0.00 0.00 0.00 179.25 180.75 256b h ALA 24 N 0.93 0.89 -0.66 0.00 0.00 -1.97 0.62 119.26 119.08 256b h ALA 24 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 256b h ALA 24 Cb 0.92 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 256b h ALA 24 CO 0.08 0.27 0.39 1.96 0.00 0.00 0.00 179.25 181.96 256b h GLN 25 N 0.91 0.90 -0.14 0.00 4.20 -1.98 0.71 115.11 119.71 256b h GLN 25 Ca 0.26 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 256b h GLN 25 Cb -0.06 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.53 256b h GLN 25 CO -0.07 0.65 -0.20 0.28 -0.67 0.00 0.00 178.83 178.82 256b h VAL 26 N 0.90 1.36 -0.37 -0.54 2.07 -1.29 -2.11 116.25 116.28 256b h VAL 26 Ca 0.24 -1.42 0.03 0.00 0.82 0.00 0.00 66.70 66.36 256b h VAL 26 Cb -0.01 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 256b h VAL 26 CO -0.04 0.42 0.18 0.11 0.02 0.00 0.00 177.57 178.26 256b h LYS 27 N -0.01 0.37 -0.56 1.57 1.57 -0.75 -0.77 116.57 117.99 256b h LYS 27 Ca 0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 256b h LYS 27 Cb 0.76 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 256b h LYS 27 CO 0.05 0.24 0.22 -0.44 -0.57 0.00 0.00 179.45 178.95 256b h ASP 28 N 0.38 0.78 -0.18 0.86 3.32 -0.90 -0.69 116.42 120.00 256b h ASP 28 Ca 0.15 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 256b h ASP 28 Cb 0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 256b h ASP 28 CO -0.11 0.74 0.05 0.00 -1.72 0.00 0.00 179.24 178.21 256b h ALA 29 N 1.07 0.24 -0.63 3.45 0.00 -1.08 -1.71 119.26 120.59 256b h ALA 29 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 256b h ALA 29 Cb 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 256b h ALA 29 CO -0.01 -0.14 0.31 -0.07 0.00 0.00 0.00 179.25 179.34 256b h LEU 30 N 0.11 0.81 -0.61 0.00 3.38 -1.00 -1.13 115.31 116.87 256b h LEU 30 Ca 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 256b h LEU 30 Cb 0.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 256b h LEU 30 CO -0.00 0.68 0.34 0.74 0.09 0.00 0.00 178.44 180.29 256b h THR 31 N 0.89 1.20 -0.20 0.22 2.02 -0.83 -0.80 112.91 115.42 256b h THR 31 Ca 0.22 -0.49 -0.17 0.00 0.77 0.00 0.00 66.41 66.74 256b h THR 31 Cb 0.09 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 256b h THR 31 CO -0.03 0.21 -0.58 0.11 0.37 0.00 0.00 175.52 175.60 256b h LYS 32 N 0.83 0.63 -0.59 6.66 1.57 -0.96 -2.54 116.57 122.16 256b h LYS 32 Ca 0.21 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 256b h LYS 32 Cb 0.04 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 256b h LYS 32 CO -0.03 1.03 0.32 0.52 -0.57 0.00 0.00 179.45 180.72 256b h MET 33 N 0.47 0.83 -0.37 3.15 2.86 -0.83 -1.61 114.93 119.43 256b h MET 33 Ca 0.00 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 256b h MET 33 Cb 1.14 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.62 256b h MET 33 CO 0.11 0.63 0.20 -0.09 1.06 0.00 0.00 176.91 178.83 256b h ARG 34 N 0.80 0.40 -0.61 1.72 2.43 -0.99 0.08 114.38 118.21 256b h ARG 34 Ca 0.21 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 256b h ARG 34 Cb 0.05 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 256b h ARG 34 CO -0.03 0.27 0.14 0.00 -1.51 0.00 0.00 179.97 178.84 256b h ALA 35 N 1.18 0.80 -0.55 2.80 0.00 -1.26 -1.67 119.26 120.56 256b h ALA 35 Ca 0.15 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 256b h ALA 35 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 256b h ALA 35 CO -0.09 0.52 0.02 0.00 0.00 0.00 0.00 179.25 179.70 256b h ALA 36 N 1.04 0.99 -0.64 0.00 0.00 -1.03 -1.69 119.26 117.92 256b h ALA 36 Ca 0.19 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 256b h ALA 36 Cb 0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 256b h ALA 36 CO 0.00 0.62 0.13 0.00 0.00 0.00 0.00 179.25 180.00 256b h ALA 37 N 1.15 0.85 -0.19 0.00 0.00 -0.54 0.31 119.26 120.84 256b h ALA 37 Ca 0.17 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 256b h ALA 37 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 256b h ALA 37 CO 0.02 0.60 -0.38 -0.07 0.00 0.00 0.00 179.25 179.42 256b h LEU 38 N 0.97 0.43 -0.38 0.00 3.38 -1.11 -1.08 115.31 117.52 256b h LEU 38 Ca 0.20 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 256b h LEU 38 Cb 0.40 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 256b h LEU 38 CO 0.01 0.77 -0.49 -0.78 0.09 0.00 0.00 178.44 178.04 256b h ASP 39 N 0.35 0.91 0.12 -0.43 3.58 -0.95 -3.15 116.42 116.85 256b h ASP 39 Ca 0.04 -0.46 -0.11 0.00 0.42 0.00 0.00 57.03 56.91 256b h ASP 39 Cb 0.82 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 256b h ASP 39 CO 0.07 1.25 -0.39 0.00 -2.88 0.00 0.00 179.24 177.28 256b h ALA 40 N 0.78 1.02 -0.26 -0.78 0.00 -0.67 -3.16 119.26 116.19 256b h ALA 40 Ca 0.03 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.60 256b h ALA 40 Cb 1.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 256b h ALA 40 CO 0.11 0.61 0.24 0.37 0.00 0.00 0.00 179.25 180.58 256b h GLN 41 N 0.31 0.00 -0.00 0.00 4.15 -1.15 -1.59 115.11 116.82 256b h GLN 41 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 256b h GLN 41 Cb 0.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.52 256b h GLN 41 CO 0.07 0.00 -0.15 0.36 -1.93 0.00 0.00 178.83 177.18 256b n LYS 42 N -4.03 0.20 -2.19 1.69 2.85 -1.19 -4.80 118.16 110.68 256b n LYS 42 Ca 0.03 -0.06 -0.28 0.00 -1.05 0.00 0.00 58.31 56.96 256b n LYS 42 Cb 0.39 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.30 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 -2.84 3.15 -0.27 0.58 0.00 -0.60 -5.07 121.76 116.71 256b s ALA 43 Ca 0.18 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 256b s ALA 43 Cb 0.19 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.54 256b s ALA 43 CO 0.55 -0.89 0.00 0.99 0.00 0.00 0.00 175.76 176.41 256b s THR 44 N -3.12 3.39 0.50 0.00 2.01 -1.26 -5.03 115.64 112.12 256b s THR 44 Ca 0.55 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 256b s THR 44 Cb -0.11 -2.72 -0.07 0.00 0.01 0.00 0.00 72.50 69.61 256b s THR 44 CO 0.48 0.16 1.10 -2.16 -0.69 0.00 0.00 174.62 173.51 256b s PRO 45 N 1.41 3.65 0.24 4.92 0.04 -1.26 -4.90 135.00 139.10 256b s PRO 45 Ca 0.02 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 256b s PRO 45 Cb -0.17 -2.15 0.33 0.00 0.04 0.00 0.00 34.50 32.55 256b s PRO 45 CO -0.01 -0.60 1.61 -1.35 0.04 0.00 0.00 177.00 176.69 256b h PRO 46 N 1.58 0.01 0.00 0.56 0.11 -1.99 0.42 132.00 132.70 256b h PRO 46 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 256b h PRO 46 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 256b h PRO 46 CO 0.59 0.01 0.00 0.87 -0.21 0.00 0.00 178.00 179.25 256b h LYS 47 N 0.01 0.00 -0.22 1.05 1.57 -1.92 -2.22 116.57 114.84 256b h LYS 47 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 256b h LYS 47 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 256b h LYS 47 CO -0.76 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.40 256b n LEU 48 N -2.94 3.25 0.30 2.94 4.77 0.12 -4.73 117.00 120.71 256b n LEU 48 Ca -0.02 -2.67 0.17 0.00 -0.03 0.00 0.00 56.01 53.46 256b n LEU 48 Cb 0.08 -0.40 0.96 0.00 -2.33 0.00 0.00 43.42 41.74 256b n LEU 48 CO 0.19 0.68 1.10 -0.33 -1.33 0.00 0.00 177.39 177.70 256b h GLU 49 N 1.45 0.00 -0.65 3.23 5.08 -1.18 -2.28 114.58 120.23 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 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 256b h GLU 49 CO 0.11 0.03 0.00 -0.25 -1.00 0.00 0.00 179.01 177.90 256b n ASP 50 N -3.46 3.75 -4.91 1.42 10.43 -1.26 -4.93 116.55 117.59 256b n ASP 50 Ca -0.02 -2.00 -0.21 0.00 2.57 0.00 0.00 54.79 55.13 256b n ASP 50 Cb 0.13 -0.43 -0.03 0.00 1.84 0.00 0.00 41.12 42.64 256b n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 256b s LYS 51 N -1.14 3.11 0.52 -1.24 -0.14 -0.86 -5.09 119.74 114.91 256b s LYS 51 Ca 0.46 -0.98 -0.18 0.00 -1.36 0.00 0.00 55.97 53.91 256b s LYS 51 Cb 0.25 -2.71 -0.07 0.00 -1.68 0.00 0.00 37.83 33.61 256b s LYS 51 CO 0.33 0.31 1.03 -1.54 -0.76 0.00 0.00 175.35 174.72 256b s SER 52 N -3.97 6.24 0.60 2.83 1.04 -1.26 -4.92 113.70 114.25 256b s SER 52 Ca 0.36 1.83 0.31 0.00 0.48 0.00 0.00 55.95 58.93 256b s SER 52 Cb -0.08 -2.54 1.86 0.00 0.10 0.00 0.00 66.02 65.35 256b s SER 52 CO 0.28 -0.85 2.24 -0.65 0.98 0.00 0.00 173.24 175.23 256b h PRO 53 N 1.13 0.00 -0.40 4.02 0.11 -1.97 -1.93 132.00 132.96 256b h PRO 53 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 256b h PRO 53 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 256b h PRO 53 CO 0.59 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 256b n ASP 54 N -3.75 4.06 -4.78 -2.05 3.85 -1.26 -4.61 116.55 108.01 256b n ASP 54 Ca -0.02 -2.63 -0.31 0.00 -0.71 0.00 0.00 54.79 51.11 256b n ASP 54 Cb 0.13 -0.49 0.08 0.00 -1.35 0.00 0.00 41.12 39.48 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 -1.35 4.72 0.35 -1.12 1.04 -0.73 -4.81 113.70 111.81 256b s SER 55 Ca 0.41 1.83 0.09 0.00 0.48 0.00 0.00 55.95 58.76 256b s SER 55 Cb 0.29 -2.52 0.83 0.00 0.10 0.00 0.00 66.02 64.72 256b s SER 55 CO 0.15 -1.89 1.84 -0.65 0.98 0.00 0.00 173.24 173.68 256b h PRO 56 N -0.87 0.66 -0.20 4.02 0.11 -1.95 -0.33 132.00 133.43 256b h PRO 56 Ca -0.44 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 256b h PRO 56 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 256b h PRO 56 CO 0.52 0.44 0.02 0.93 -0.21 0.00 0.00 178.00 179.70 256b h GLU 57 N 0.68 0.35 -0.72 1.05 3.07 -1.92 -0.15 114.58 116.93 256b h GLU 57 Ca 0.49 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 59.18 256b h GLU 57 Cb 0.83 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.67 256b h GLU 57 CO -0.24 0.53 0.20 0.52 -1.40 0.00 0.00 179.01 178.62 256b h MET 58 N 0.13 1.13 -0.80 2.33 2.86 -1.61 0.03 114.93 118.99 256b h MET 58 Ca 0.06 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 256b h MET 58 Cb 0.36 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 256b h MET 58 CO 0.01 0.97 0.42 0.87 1.06 0.00 0.00 176.91 180.24 256b h LYS 59 N 1.08 1.14 -0.46 1.72 1.57 -0.94 -1.21 116.57 119.46 256b h LYS 59 Ca 0.23 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 256b h LYS 59 Cb 0.33 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 256b h LYS 59 CO -0.00 0.85 0.00 0.22 -0.57 0.00 0.00 179.45 179.95 256b h ASP 60 N 1.13 0.80 -0.35 0.86 3.58 -0.51 -0.84 116.42 121.09 256b h ASP 60 Ca 0.28 -0.31 0.04 0.00 0.42 0.00 0.00 57.03 57.46 256b h ASP 60 Cb 0.07 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 256b h ASP 60 CO -0.04 0.91 0.13 0.15 -2.88 0.00 0.00 179.24 177.51 256b h PHE 61 N 0.67 0.23 -0.70 0.28 3.57 -0.67 -1.20 116.94 119.12 256b h PHE 61 Ca 0.13 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 256b h PHE 61 Cb 0.50 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 256b h PHE 61 CO 0.04 0.10 0.24 0.00 -2.23 0.00 0.00 178.31 176.45 256b h ARG 62 N 0.28 1.07 -0.31 1.11 3.08 -1.01 -2.49 114.38 116.10 256b h ARG 62 Ca 0.16 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 256b h ARG 62 Cb 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 256b h ARG 62 CO -0.15 0.90 0.04 1.25 -1.07 0.00 0.00 179.97 180.94 256b h HIS 63 N 1.03 0.47 -0.98 3.04 2.76 -0.50 -1.61 115.15 119.36 256b h HIS 63 Ca 0.23 -0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.43 256b h HIS 63 Cb 0.26 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.02 256b h HIS 63 CO 0.02 0.44 0.64 0.78 -1.30 0.00 0.00 177.93 178.51 256b h GLY 64 N 0.73 1.46 1.68 5.26 0.00 -0.76 -0.65 103.07 110.78 256b h GLY 64 Ca 0.10 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 256b h GLY 64 CO 0.00 0.36 -0.67 0.74 0.00 0.00 0.00 176.54 176.97 256b h PHE 65 N 1.17 0.42 -0.64 5.60 -1.00 -1.34 -1.85 116.94 119.30 256b h PHE 65 Ca 0.41 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.98 256b h PHE 65 Cb 0.12 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.58 256b h PHE 65 CO -0.00 0.89 0.26 -0.44 -1.61 0.00 0.00 178.31 177.41 256b h ASP 66 N 0.23 0.85 -0.14 2.17 3.32 -0.99 0.42 116.42 122.28 256b h ASP 66 Ca -0.02 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 256b h ASP 66 Cb 1.21 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 256b h ASP 66 CO 0.11 0.76 0.00 0.40 -1.72 0.00 0.00 179.24 178.79 256b h ILE 67 N 0.92 1.25 -0.51 0.35 2.04 -0.99 -1.84 117.51 118.73 256b h ILE 67 Ca 0.22 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.29 256b h ILE 67 Cb 0.17 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 256b h ILE 67 CO -0.02 0.24 0.29 0.25 0.00 0.00 0.00 178.15 178.91 256b h LEU 68 N -0.02 0.46 -1.19 1.44 5.85 -1.11 -1.31 115.31 119.43 256b h LEU 68 Ca 0.04 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 256b h LEU 68 Cb 0.36 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 256b h LEU 68 CO 0.01 0.32 0.14 0.58 -0.34 0.00 0.00 178.44 179.15 256b h VAL 69 N 0.58 1.20 -0.60 1.05 2.07 -0.81 -0.10 116.25 119.63 256b h VAL 69 Ca 0.21 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 256b h VAL 69 Cb 0.05 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 256b h VAL 69 CO -0.11 0.25 0.05 1.23 0.02 0.00 0.00 177.57 179.01 256b h GLY 70 N 0.88 1.11 1.15 2.17 0.00 -0.44 0.30 103.07 108.25 256b h GLY 70 Ca 0.16 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 256b h GLY 70 CO -0.01 0.72 -0.16 1.46 0.00 0.00 0.00 176.54 178.56 256b h GLN 71 N 0.93 0.98 -0.35 4.80 4.20 -0.76 -1.28 115.11 123.63 256b h GLN 71 Ca 0.18 -0.38 -0.06 0.00 0.06 0.00 0.00 58.65 58.44 256b h GLN 71 Cb 0.50 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 256b h GLN 71 CO 0.02 1.06 -0.03 0.82 -0.67 0.00 0.00 178.83 180.03 256b h ILE 72 N 0.86 1.27 -0.61 2.54 2.04 -0.73 -2.24 117.51 120.63 256b h ILE 72 Ca 0.12 -1.03 0.05 0.00 1.00 0.00 0.00 64.86 65.00 256b h ILE 72 Cb 0.72 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 256b h ILE 72 CO 0.06 0.34 0.34 0.44 0.00 0.00 0.00 178.15 179.33 256b h ASP 73 N 0.43 0.52 -0.57 1.72 3.32 -0.73 0.98 116.42 122.09 256b h ASP 73 Ca 0.09 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.17 256b h ASP 73 Cb 0.50 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 256b h ASP 73 CO 0.02 0.35 0.36 0.44 -1.72 0.00 0.00 179.24 178.70 256b h ASP 74 N 0.65 0.67 -0.25 6.45 3.32 -1.02 -1.21 116.42 125.04 256b h ASP 74 Ca 0.26 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 256b h ASP 74 Cb 0.12 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 256b h ASP 74 CO -0.15 0.51 -0.25 0.00 -1.72 0.00 0.00 179.24 177.63 256b h ALA 75 N 1.19 0.88 -0.68 3.45 0.00 -0.91 -2.72 119.26 120.47 256b h ALA 75 Ca 0.21 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 256b h ALA 75 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 256b h ALA 75 CO -0.04 0.63 0.13 1.25 0.00 0.00 0.00 179.25 181.22 256b h LEU 76 N 0.63 1.06 -0.13 0.00 5.85 -0.49 -1.61 115.31 120.61 256b h LEU 76 Ca 0.08 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.59 256b h LEU 76 Cb 0.75 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 256b h LEU 76 CO 0.06 1.03 -0.01 0.50 -0.34 0.00 0.00 178.44 179.69 256b h LYS 77 N 1.04 0.04 -0.38 1.25 3.64 -1.08 -0.39 116.57 120.69 256b h LYS 77 Ca 0.21 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 256b h LYS 77 Cb 0.41 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 256b h LYS 77 CO 0.01 0.02 0.15 -0.07 -2.27 0.00 0.00 179.45 177.29 256b h LEU 78 N 0.04 0.53 -1.13 5.20 3.38 -1.20 -2.48 115.31 119.65 256b h LEU 78 Ca 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 256b h LEU 78 Cb 0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 256b h LEU 78 CO -0.11 0.56 0.26 0.00 0.09 0.00 0.00 178.44 179.23 256b h ALA 79 N 0.99 1.32 0.00 1.53 0.00 -1.07 -0.52 119.26 121.51 256b h ALA 79 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 256b h ALA 79 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.75 256b h ALA 79 CO -0.01 0.52 0.00 -0.97 0.00 0.00 0.00 179.25 178.79 256b h ASN 80 N 0.86 0.00 -0.44 0.00 -1.24 -0.77 -2.60 115.58 111.39 256b h ASN 80 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 256b h ASN 80 Cb 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 256b h ASN 80 CO -0.02 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.50 256b n GLU 81 N -3.02 2.15 -1.00 6.67 1.02 -0.74 -4.92 120.64 120.80 256b n GLU 81 Ca 0.01 -1.77 0.00 0.00 -0.02 0.00 0.00 57.16 55.38 256b n GLU 81 Cb 0.35 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 1.31 0.47 2.95 0.62 0.00 -0.98 -4.95 105.19 104.61 256b n GLY 82 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.71 3.88 0.15 1.61 5.02 -0.28 -4.82 118.16 121.01 256b n LYS 83 Ca 0.00 -3.88 -0.14 0.00 -2.02 0.00 0.00 58.31 52.27 256b n LYS 83 Cb 0.03 -2.79 -0.08 0.00 -0.02 0.00 0.00 35.03 32.17 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 3.68 0.78 -0.55 -0.18 2.07 -1.85 -0.75 116.25 119.46 256b h VAL 84 Ca 0.33 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 256b h VAL 84 Cb 0.64 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 256b h VAL 84 CO 1.50 0.06 0.27 0.11 0.02 0.00 0.00 177.57 179.54 256b h LYS 85 N -0.49 0.76 -0.35 1.57 6.56 -1.97 -0.95 116.57 121.71 256b h LYS 85 Ca -0.04 -0.09 -0.09 0.00 -1.06 0.00 0.00 60.65 59.38 256b h LYS 85 Cb 0.37 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.87 256b h LYS 85 CO 0.06 0.58 -0.13 0.93 -2.06 0.00 0.00 179.45 178.83 256b h GLU 86 N 0.76 0.70 -0.75 3.15 5.08 -1.93 -1.25 114.58 120.34 256b h GLU 86 Ca 0.19 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 256b h GLU 86 Cb 0.06 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 256b h GLU 86 CO -0.03 0.88 0.49 0.00 -1.00 0.00 0.00 179.01 179.36 256b h ALA 87 N 0.80 0.95 -0.74 3.43 0.00 -0.49 0.77 119.26 123.98 256b h ALA 87 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 256b h ALA 87 Cb 0.65 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 256b h ALA 87 CO 0.04 0.38 0.34 1.96 0.00 0.00 0.00 179.25 181.97 256b h GLN 88 N 1.02 1.08 -0.42 0.00 4.20 -1.01 0.14 115.11 120.12 256b h GLN 88 Ca 0.27 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 256b h GLN 88 Cb -0.11 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 256b h GLN 88 CO -0.06 0.86 -0.16 0.00 -0.67 0.00 0.00 178.83 178.80 256b h ALA 89 N 1.17 0.59 -0.62 3.87 0.00 -0.78 -2.94 119.26 120.54 256b h ALA 89 Ca 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 256b h ALA 89 Cb 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 256b h ALA 89 CO -0.03 0.52 0.30 0.00 0.00 0.00 0.00 179.25 180.04 256b h ALA 90 N 0.84 1.37 0.00 0.00 0.00 -0.54 -1.77 119.26 119.17 256b h ALA 90 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 256b h ALA 90 Cb 0.71 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 256b h ALA 90 CO 0.05 0.50 -0.06 0.00 0.00 0.00 0.00 179.25 179.74 256b h ALA 91 N 1.46 1.52 0.00 0.00 0.00 -0.79 -1.54 119.26 119.91 256b h ALA 91 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 256b h ALA 91 Cb 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 256b h ALA 91 CO -0.03 0.08 -0.07 0.93 0.00 0.00 0.00 179.25 180.16 256b h GLU 92 N 0.00 0.00 0.00 0.00 4.39 -1.27 -1.67 114.58 116.03 256b h GLU 92 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 256b h GLU 92 Cb 0.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 256b h GLU 92 CO 0.01 0.07 -0.05 1.96 -1.16 0.00 0.00 179.01 179.83 256b h GLN 93 N 0.00 0.00 0.00 2.33 1.08 -1.41 -1.65 115.11 115.46 256b h GLN 93 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 256b h GLN 93 Cb 0.16 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 256b h GLN 93 CO 0.01 0.05 -0.02 -0.07 -0.95 0.00 0.00 178.83 177.85 256b h LEU 94 N 0.00 0.00 -1.08 1.46 3.38 -1.47 -1.17 115.31 116.44 256b h LEU 94 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 256b h LEU 94 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 256b h LEU 94 CO 0.01 0.02 -0.32 0.11 0.09 0.00 0.00 178.44 178.35 256b h LYS 95 N 0.00 0.25 -0.30 1.13 1.57 -1.47 -0.53 116.57 117.23 256b h LYS 95 Ca -0.00 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 256b h LYS 95 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 256b h LYS 95 CO 0.00 0.55 0.08 1.15 -0.57 0.00 0.00 179.45 180.66 256b h THR 96 N 0.22 1.22 -0.50 -0.16 2.02 -1.34 0.12 112.91 114.48 256b h THR 96 Ca 0.03 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 256b h THR 96 Cb 0.68 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 256b h THR 96 CO 0.05 0.24 0.15 0.74 0.37 0.00 0.00 175.52 177.07 256b h THR 97 N 0.32 1.23 -0.21 3.16 2.02 -1.42 -0.50 112.91 117.51 256b h THR 97 Ca 0.09 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.51 256b h THR 97 Cb 0.29 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 256b h THR 97 CO 0.00 0.29 0.07 -0.09 0.37 0.00 0.00 175.52 176.16 256b h ARG 98 N 0.67 0.17 -0.57 6.66 2.43 -0.88 -1.03 114.38 121.83 256b h ARG 98 Ca 0.16 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 256b h ARG 98 Cb 0.28 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 256b h ARG 98 CO -0.00 0.11 0.28 -0.91 -1.51 0.00 0.00 179.97 177.93 256b h ASN 99 N 0.17 0.75 -0.54 -3.80 -0.26 -0.46 0.22 115.58 111.67 256b h ASN 99 Ca 0.09 -0.13 -0.12 0.00 -0.56 0.00 0.00 56.30 55.58 256b h ASN 99 Cb 0.06 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 256b h ASN 99 CO -0.09 0.67 -0.13 0.00 -1.06 0.00 0.00 177.43 176.81 256b h ALA 100 N 1.11 0.74 0.07 -0.83 0.00 -0.84 -1.76 119.26 117.75 256b h ALA 100 Ca 0.20 -0.36 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 256b h ALA 100 Cb 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 256b h ALA 100 CO -0.02 0.68 -1.11 1.88 0.00 0.00 0.00 179.25 180.68 256b h TYR 101 N 0.92 0.39 -0.66 0.00 0.05 -1.00 -2.96 116.97 113.70 256b h TYR 101 Ca 0.14 -0.27 -0.04 0.00 0.05 0.00 0.00 58.73 58.61 256b h TYR 101 Cb 0.71 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.40 256b h TYR 101 CO 0.05 1.17 0.27 0.45 -1.05 0.00 0.00 178.16 179.04 256b h HIS 102 N 0.09 1.01 -0.69 4.88 3.86 -0.57 -0.10 115.15 123.62 256b h HIS 102 Ca -0.09 -0.07 0.12 0.00 -1.16 0.00 0.00 60.37 59.16 256b h HIS 102 Cb 1.81 -0.30 -0.08 0.00 1.06 0.00 0.00 27.41 29.90 256b h HIS 102 CO 0.05 0.78 0.27 0.37 0.86 0.00 0.00 177.93 180.26 256b h GLN 103 N 0.94 0.42 0.01 2.45 5.75 -1.25 -0.90 115.11 122.53 256b h GLN 103 Ca 0.22 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.63 256b h GLN 103 Cb 0.20 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.66 256b h GLN 103 CO -0.02 0.28 -0.27 0.87 -2.65 0.00 0.00 178.83 177.04 256b h LYS 104 N 0.43 0.17 -0.00 1.69 1.57 -1.32 -3.42 116.57 115.69 256b h LYS 104 Ca 0.37 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 256b h LYS 104 Cb 0.51 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.88 256b h LYS 104 CO -0.36 0.95 -0.03 0.66 -0.57 0.00 0.00 179.45 180.10 256b n TYR 105 N -4.48 0.00 1.79 -1.35 0.53 -0.08 -5.12 117.16 108.45 256b n TYR 105 Ca -0.10 0.00 0.15 0.00 -1.02 0.00 0.00 57.90 56.93 256b n TYR 105 Cb 0.53 0.00 0.77 0.00 -1.03 0.00 0.00 39.34 39.61 256b n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71