#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3de8 s ASP 2 N 0.00 3.56 0.17 0.00 1.47 -1.26 -4.86 116.67 115.75 3de8 s ASP 2 Ca 0.00 0.14 -0.14 0.00 1.18 0.00 0.00 52.55 53.72 3de8 s ASP 2 Cb 0.00 -0.31 0.06 0.00 -0.34 0.00 0.00 42.92 42.33 3de8 s ASP 2 CO 0.00 -2.43 1.83 0.25 0.68 0.00 0.00 175.17 175.50 3de8 h LEU 3 N -1.29 0.58 -0.82 2.11 6.46 -1.94 -2.08 115.31 118.34 3de8 h LEU 3 Ca -0.42 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.31 3de8 h LEU 3 Cb 1.25 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.99 3de8 h LEU 3 CO 0.41 0.43 0.48 -0.33 -0.62 0.00 0.00 178.44 178.80 3de8 h GLU 4 N 0.69 1.12 -0.55 1.25 5.08 -1.99 -0.94 114.58 119.23 3de8 h GLU 4 Ca 0.19 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3de8 h GLU 4 Cb -0.07 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 3de8 h GLU 4 CO -0.04 0.80 0.13 -0.44 -1.00 0.00 0.00 179.01 178.45 3de8 h ASP 5 N 1.12 0.83 -0.76 1.42 3.32 -1.87 -1.40 116.42 119.09 3de8 h ASP 5 Ca 0.29 -0.24 0.07 0.00 0.02 0.00 0.00 57.03 57.17 3de8 h ASP 5 Cb -0.02 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.25 3de8 h ASP 5 CO -0.05 0.85 0.45 0.78 -1.72 0.00 0.00 179.24 179.55 3de8 h ASN 6 N 0.78 0.67 -0.63 6.45 2.35 -0.98 0.11 115.58 124.33 3de8 h ASN 6 Ca 0.17 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 3de8 h ASN 6 Cb 0.35 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3de8 h ASN 6 CO 0.00 0.43 0.04 0.24 -1.65 0.00 0.00 177.43 176.49 3de8 h MET 7 N 0.81 1.08 -0.68 0.81 2.86 -0.87 -1.12 114.93 117.81 3de8 h MET 7 Ca 0.34 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 3de8 h MET 7 Cb 0.21 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3de8 h MET 7 CO -0.19 1.03 0.18 1.49 1.06 0.00 0.00 176.91 180.48 3de8 h GLU 8 N 0.99 1.06 -0.64 1.72 4.81 -0.78 -1.87 114.58 119.88 3de8 h GLU 8 Ca 0.18 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3de8 h GLU 8 Cb 0.52 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3de8 h GLU 8 CO 0.02 0.93 0.42 1.15 -0.73 0.00 0.00 179.01 180.81 3de8 h THR 9 N 1.02 1.16 0.06 0.32 2.02 -0.45 -0.03 112.91 117.01 3de8 h THR 9 Ca 0.22 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3de8 h THR 9 Cb 0.34 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3de8 h THR 9 CO -0.00 0.16 -0.05 -0.07 0.37 0.00 0.00 175.52 175.93 3de8 h LEU 10 N 0.86 -0.12 -0.24 2.58 -0.00 -0.98 -2.07 115.31 115.34 3de8 h LEU 10 Ca 0.23 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 3de8 h LEU 10 Cb -0.10 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 3de8 h LEU 10 CO -0.05 -0.07 0.16 -1.13 -0.00 0.00 0.00 178.44 177.34 3de8 h ASN 11 N -0.11 0.27 -0.65 -0.43 -1.24 -1.21 -2.28 115.58 109.92 3de8 h ASN 11 Ca 0.00 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 3de8 h ASN 11 Cb 0.10 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 3de8 h ASN 11 CO -0.01 0.19 0.23 0.44 -1.29 0.00 0.00 177.43 177.00 3de8 h ASP 12 N 0.32 0.95 1.33 1.15 3.32 -0.97 -2.85 116.42 119.66 3de8 h ASP 12 Ca 0.09 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3de8 h ASP 12 Cb -0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3de8 h ASP 12 CO -0.02 0.87 -0.36 0.78 -1.72 0.00 0.00 179.24 178.78 3de8 h ASN 13 N 0.99 0.00 -0.61 6.45 4.21 -1.25 -2.25 115.58 123.11 3de8 h ASN 13 Ca 0.22 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 3de8 h ASN 13 Cb 0.25 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.42 3de8 h ASN 13 CO -0.01 0.36 0.40 -0.07 -1.29 0.00 0.00 177.43 176.82 3de8 h LEU 14 N 0.00 0.71 -0.71 1.61 4.07 -1.18 -1.19 115.31 118.61 3de8 h LEU 14 Ca -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3de8 h LEU 14 Cb 1.13 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.65 3de8 h LEU 14 CO 0.05 0.52 0.45 0.11 -1.08 0.00 0.00 178.44 178.49 3de8 h LYS 15 N 0.83 0.96 -0.75 1.13 6.56 -1.32 -1.49 116.57 122.48 3de8 h LYS 15 Ca 0.22 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.73 3de8 h LYS 15 Cb -0.08 -0.21 -0.04 0.00 -0.57 0.00 0.00 32.23 31.34 3de8 h LYS 15 CO -0.05 0.66 0.43 0.28 -2.06 0.00 0.00 179.45 178.71 3de8 h VAL 16 N 0.97 1.22 -0.39 0.50 2.07 -1.13 -2.08 116.25 117.42 3de8 h VAL 16 Ca 0.26 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3de8 h VAL 16 Cb -0.07 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 3de8 h VAL 16 CO -0.05 0.24 0.08 0.40 0.02 0.00 0.00 177.57 178.26 3de8 h ILE 17 N 1.04 1.24 -0.75 4.57 2.04 -0.90 -1.62 117.51 123.12 3de8 h ILE 17 Ca 0.27 -0.83 0.09 0.00 1.00 0.00 0.00 64.86 65.39 3de8 h ILE 17 Cb 0.01 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3de8 h ILE 17 CO -0.05 0.28 0.49 -0.08 0.00 0.00 0.00 178.15 178.80 3de8 h GLU 18 N 0.48 0.65 -0.01 2.37 4.22 -0.88 -2.03 114.58 119.39 3de8 h GLU 18 Ca 0.12 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.52 3de8 h GLU 18 Cb 0.34 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3de8 h GLU 18 CO 0.01 0.43 -0.18 1.63 -2.18 0.00 0.00 179.01 178.71 3de8 n LYS 19 N -4.50 1.30 -1.86 1.92 5.02 -0.82 -4.99 118.16 114.23 3de8 n LYS 19 Ca 0.12 -0.85 -0.38 0.00 -2.02 0.00 0.00 58.31 55.18 3de8 n LYS 19 Cb 0.33 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3de8 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3de8 s ALA 20 N -2.29 2.82 -0.20 7.82 0.00 -0.64 -4.96 121.76 124.32 3de8 s ALA 20 Ca 0.28 1.26 0.19 0.00 0.00 0.00 0.00 51.96 53.69 3de8 s ALA 20 Cb 0.20 -3.54 -0.28 0.00 0.00 0.00 0.00 23.12 19.50 3de8 s ALA 20 CO 0.45 -1.27 0.49 -0.25 0.00 0.00 0.00 175.76 175.18 3de8 n ASP 21 N -0.99 0.70 -3.26 0.00 10.43 -1.26 -5.06 116.55 117.11 3de8 n ASP 21 Ca 0.10 -0.19 -0.09 0.00 2.57 0.00 0.00 54.79 57.18 3de8 n ASP 21 Cb 0.46 1.69 0.00 0.00 1.84 0.00 0.00 41.12 45.11 3de8 n ASP 21 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3de8 s ASN 22 N -3.90 0.05 0.20 -2.24 2.20 -1.26 -5.07 114.94 104.92 3de8 s ASN 22 Ca -0.04 -1.05 -0.01 0.00 -0.94 0.00 0.00 52.86 50.83 3de8 s ASN 22 Cb 0.13 0.78 0.13 0.00 -2.00 0.00 0.00 41.25 40.29 3de8 s ASN 22 CO 0.78 -1.53 1.50 0.00 -2.94 0.00 0.00 177.10 174.91 3de8 h ALA 23 N 2.03 0.71 -0.87 3.54 0.00 -1.94 -2.98 119.26 119.74 3de8 h ALA 23 Ca -0.28 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.10 3de8 h ALA 23 Cb 1.25 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3de8 h ALA 23 CO 0.36 0.72 0.57 0.00 0.00 0.00 0.00 179.25 180.90 3de8 h ALA 24 N 1.02 1.14 -0.54 0.00 0.00 -1.97 0.55 119.26 119.45 3de8 h ALA 24 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3de8 h ALA 24 Cb 1.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3de8 h ALA 24 CO 0.11 0.44 -0.11 1.96 0.00 0.00 0.00 179.25 181.65 3de8 h GLN 25 N 1.12 1.03 -0.18 0.00 4.20 -1.96 -0.62 115.11 118.70 3de8 h GLN 25 Ca 0.34 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3de8 h GLN 25 Cb -0.04 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3de8 h GLN 25 CO -0.10 1.08 0.03 0.28 -0.67 0.00 0.00 178.83 179.44 3de8 h VAL 26 N 0.91 1.22 -0.70 -0.54 2.07 -1.30 -2.48 116.25 115.44 3de8 h VAL 26 Ca 0.14 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.98 3de8 h VAL 26 Cb 0.68 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 3de8 h VAL 26 CO 0.05 0.22 0.43 0.11 0.02 0.00 0.00 177.57 178.40 3de8 h LYS 27 N 0.09 0.81 -0.50 1.57 1.57 -0.57 -0.59 116.57 118.94 3de8 h LYS 27 Ca 0.05 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3de8 h LYS 27 Cb 0.31 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3de8 h LYS 27 CO 0.00 0.53 0.17 0.22 -0.57 0.00 0.00 179.45 179.80 3de8 h ASP 28 N 0.83 0.72 -0.39 0.86 1.82 -1.05 -0.88 116.42 118.33 3de8 h ASP 28 Ca 0.29 -0.20 -0.12 0.00 -0.39 0.00 0.00 57.03 56.61 3de8 h ASP 28 Cb 0.05 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 3de8 h ASP 28 CO -0.12 0.73 -0.22 0.00 -1.61 0.00 0.00 179.24 178.01 3de8 h ALA 29 N 1.02 0.56 -0.88 -0.78 0.00 -1.04 -2.21 119.26 115.93 3de8 h ALA 29 Ca 0.16 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3de8 h ALA 29 Cb 0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3de8 h ALA 29 CO -0.01 0.53 0.55 -0.07 0.00 0.00 0.00 179.25 180.26 3de8 h LEU 30 N 0.65 1.05 -0.36 0.00 3.38 -0.92 -1.38 115.31 117.73 3de8 h LEU 30 Ca 0.08 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3de8 h LEU 30 Cb 0.78 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3de8 h LEU 30 CO 0.06 0.79 0.22 0.74 0.09 0.00 0.00 178.44 180.34 3de8 h THR 31 N 1.21 1.11 -0.86 0.22 2.02 -1.07 -0.46 112.91 115.07 3de8 h THR 31 Ca 0.32 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 67.30 3de8 h THR 31 Cb -0.08 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 3de8 h THR 31 CO -0.06 0.11 0.55 0.11 0.37 0.00 0.00 175.52 176.60 3de8 h LYS 32 N 0.47 1.01 -0.44 6.66 1.57 -1.15 -2.39 116.57 122.30 3de8 h LYS 32 Ca 0.13 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3de8 h LYS 32 Cb -0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3de8 h LYS 32 CO -0.03 0.67 0.14 0.52 -0.57 0.00 0.00 179.45 180.18 3de8 h MET 33 N 1.04 0.68 -0.28 3.15 2.86 -0.74 -1.21 114.93 120.43 3de8 h MET 33 Ca 0.36 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.91 3de8 h MET 33 Cb 0.07 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.58 3de8 h MET 33 CO -0.14 0.66 -0.11 -0.09 1.06 0.00 0.00 176.91 178.29 3de8 h ARG 34 N 0.57 -0.06 -0.57 1.72 2.43 -0.86 -0.44 114.38 117.18 3de8 h ARG 34 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3de8 h ARG 34 Cb 0.26 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3de8 h ARG 34 CO -0.00 -0.04 0.37 0.00 -1.51 0.00 0.00 179.97 178.79 3de8 h ALA 35 N 1.20 0.72 -0.38 2.80 0.00 -1.19 -0.86 119.26 121.55 3de8 h ALA 35 Ca 0.14 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3de8 h ALA 35 Cb 0.27 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3de8 h ALA 35 CO -0.32 0.16 0.18 0.00 0.00 0.00 0.00 179.25 179.27 3de8 h ALA 36 N 1.20 0.46 -0.12 0.00 0.00 -0.87 -1.28 119.26 118.65 3de8 h ALA 36 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3de8 h ALA 36 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3de8 h ALA 36 CO -0.04 -0.19 0.08 0.00 0.00 0.00 0.00 179.25 179.09 3de8 h ALA 37 N 1.20 0.16 -0.01 0.00 0.00 -0.78 0.81 119.26 120.65 3de8 h ALA 37 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3de8 h ALA 37 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3de8 h ALA 37 CO -0.12 -0.35 -0.24 -0.07 0.00 0.00 0.00 179.25 178.47 3de8 h LEU 38 N 0.15 0.01 0.02 0.00 3.38 -1.00 -0.35 115.31 117.52 3de8 h LEU 38 Ca 0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3de8 h LEU 38 Cb -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3de8 h LEU 38 CO -0.01 0.25 -0.01 -0.78 0.09 0.00 0.00 178.44 177.99 3de8 h ASP 39 N 0.01 -0.02 -0.86 -0.43 3.58 -0.91 -3.16 116.42 114.63 3de8 h ASP 39 Ca -0.00 -0.57 0.16 0.00 0.42 0.00 0.00 57.03 57.03 3de8 h ASP 39 Cb 0.43 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.42 3de8 h ASP 39 CO 0.03 0.57 0.56 0.00 -2.88 0.00 0.00 179.24 177.53 3de8 h ALA 40 N 0.34 1.96 -0.63 -0.78 0.00 -0.61 -1.66 119.26 117.88 3de8 h ALA 40 Ca -0.00 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.09 3de8 h ALA 40 Cb 0.59 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3de8 h ALA 40 CO 0.00 -0.21 0.44 0.37 0.00 0.00 0.00 179.25 179.86 3de8 h GLN 41 N 0.57 0.11 -0.00 0.00 4.15 -1.02 -0.49 115.11 118.43 3de8 h GLN 41 Ca 0.43 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.85 3de8 h GLN 41 Cb 0.83 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.50 3de8 h GLN 41 CO -0.18 0.07 -0.27 1.63 -1.93 0.00 0.00 178.83 178.15 3de8 n LYS 42 N -4.39 0.18 -2.43 1.69 5.02 -0.62 -4.73 118.16 112.87 3de8 n LYS 42 Ca 0.12 -0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 3de8 n LYS 42 Cb 0.63 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.13 3de8 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3de8 s ALA 43 N -2.87 3.25 -0.25 7.82 0.00 -0.19 -5.07 121.76 124.44 3de8 s ALA 43 Ca 0.16 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.84 3de8 s ALA 43 Cb 0.19 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 3de8 s ALA 43 CO 0.60 -0.35 0.08 0.99 0.00 0.00 0.00 175.76 177.07 3de8 s THR 44 N -2.76 4.34 0.41 0.00 2.01 -1.26 -5.01 115.64 113.36 3de8 s THR 44 Ca 0.52 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.10 3de8 s THR 44 Cb -0.10 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.26 3de8 s THR 44 CO 0.42 0.31 0.99 -2.16 -0.69 0.00 0.00 174.62 173.49 3de8 s PRO 45 N 1.62 4.21 0.30 4.92 0.04 -1.26 -4.82 135.00 140.00 3de8 s PRO 45 Ca 0.06 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.45 3de8 s PRO 45 Cb -0.15 -2.36 0.79 0.00 0.04 0.00 0.00 34.50 32.81 3de8 s PRO 45 CO 0.04 -0.07 1.70 -1.35 0.04 0.00 0.00 177.00 177.36 3de8 h PRO 46 N 2.22 0.41 0.00 0.56 0.11 -1.99 0.98 132.00 134.29 3de8 h PRO 46 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3de8 h PRO 46 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3de8 h PRO 46 CO 0.62 0.27 0.00 0.87 -0.21 0.00 0.00 178.00 179.55 3de8 h LYS 47 N 0.42 0.00 0.00 1.05 1.79 -1.93 -2.68 116.57 115.23 3de8 h LYS 47 Ca 0.59 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 3de8 h LYS 47 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3de8 h LYS 47 CO -0.53 0.00 -0.02 1.28 -1.08 0.00 0.00 179.45 179.10 3de8 n LEU 48 N -2.32 1.69 0.20 2.94 4.77 0.13 -4.84 117.00 119.57 3de8 n LEU 48 Ca 0.01 -1.84 0.14 0.00 -0.03 0.00 0.00 56.01 54.29 3de8 n LEU 48 Cb 0.21 -0.07 0.74 0.00 -2.33 0.00 0.00 43.42 41.97 3de8 n LEU 48 CO 0.19 0.45 1.12 1.05 -1.33 0.00 0.00 177.39 178.87 3de8 h GLU 49 N 0.00 0.00 -0.56 3.23 4.11 -0.61 -1.54 114.58 119.22 3de8 h GLU 49 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3de8 h GLU 49 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3de8 h GLU 49 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.83 3de8 n ASP 50 N -4.24 3.60 -4.90 3.06 8.00 -1.26 -4.94 116.55 115.86 3de8 n ASP 50 Ca 0.01 -1.98 -0.28 0.00 0.71 0.00 0.00 54.79 53.24 3de8 n ASP 50 Cb 0.24 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 3de8 n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3de8 s LYS 51 N -1.13 3.65 0.59 -1.24 -0.14 -0.58 -5.08 119.74 115.81 3de8 s LYS 51 Ca 0.41 0.12 -0.18 0.00 -1.36 0.00 0.00 55.97 54.96 3de8 s LYS 51 Cb 0.22 -2.54 -0.06 0.00 -1.68 0.00 0.00 37.83 33.77 3de8 s LYS 51 CO 0.29 0.09 0.89 0.45 -0.76 0.00 0.00 175.35 176.31 3de8 n SER 52 N -1.29 0.46 0.20 2.83 2.88 -1.26 -4.95 113.62 112.49 3de8 n SER 52 Ca -0.01 0.80 0.07 0.00 -1.33 0.00 0.00 58.87 58.40 3de8 n SER 52 Cb 0.54 -1.35 0.39 0.00 -0.75 0.00 0.00 64.21 63.04 3de8 n SER 52 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3de8 h PRO 53 N 0.46 0.00 -0.46 -1.46 0.11 -1.98 -2.94 132.00 125.73 3de8 h PRO 53 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3de8 h PRO 53 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3de8 h PRO 53 CO 0.50 0.32 0.00 -0.25 -0.21 0.00 0.00 178.00 178.36 3de8 n ASP 54 N -3.52 4.97 -4.74 -2.05 8.00 -1.26 -4.60 116.55 113.36 3de8 n ASP 54 Ca -0.00 -2.91 -0.34 0.00 0.71 0.00 0.00 54.79 52.24 3de8 n ASP 54 Cb 0.47 -0.62 0.07 0.00 -0.02 0.00 0.00 41.12 41.02 3de8 n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3de8 s SER 55 N -1.21 4.53 0.52 -2.24 1.04 -1.11 -4.78 113.70 110.44 3de8 s SER 55 Ca 0.49 2.31 0.18 0.00 0.48 0.00 0.00 55.95 59.41 3de8 s SER 55 Cb 0.38 -2.59 1.29 0.00 0.10 0.00 0.00 66.02 65.21 3de8 s SER 55 CO 0.14 -2.03 2.14 1.55 0.98 0.00 0.00 173.24 176.01 3de8 h PRO 56 N -0.01 0.00 -0.18 4.02 0.13 -1.95 0.06 132.00 134.07 3de8 h PRO 56 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3de8 h PRO 56 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3de8 h PRO 56 CO 0.51 0.03 -0.00 0.93 -0.23 0.00 0.00 178.00 179.24 3de8 h GLU 57 N 0.00 0.32 -0.45 0.86 3.07 -1.93 -1.03 114.58 115.41 3de8 h GLU 57 Ca -0.00 -0.10 -0.10 0.00 -0.50 0.00 0.00 59.36 58.66 3de8 h GLU 57 Cb 0.06 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 3de8 h GLU 57 CO 0.00 0.54 -0.11 0.52 -1.40 0.00 0.00 179.01 178.56 3de8 h MET 58 N 0.07 0.82 -0.33 2.33 2.86 -1.67 0.12 114.93 119.12 3de8 h MET 58 Ca 0.05 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3de8 h MET 58 Cb 0.40 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3de8 h MET 58 CO 0.01 0.89 0.21 1.25 1.06 0.00 0.00 176.91 180.33 3de8 h HIS 59 N 0.74 0.42 -0.38 -0.22 -0.00 -0.97 -0.66 115.15 114.08 3de8 h HIS 59 Ca 0.12 0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.34 3de8 h HIS 59 Cb 0.60 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 3de8 h HIS 59 CO 0.03 0.28 -0.39 0.22 -0.00 0.00 0.00 177.93 178.07 3de8 h ASP 60 N 0.43 1.01 -0.02 3.26 3.58 -0.98 -1.96 116.42 121.75 3de8 h ASP 60 Ca 0.12 -0.47 0.03 0.00 0.42 0.00 0.00 57.03 57.13 3de8 h ASP 60 Cb -0.03 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.70 3de8 h ASP 60 CO -0.02 1.27 -0.15 0.15 -2.88 0.00 0.00 179.24 177.61 3de8 h PHE 61 N 0.77 -0.38 -0.88 0.28 3.57 -0.63 -1.69 116.94 117.97 3de8 h PHE 61 Ca 0.06 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3de8 h PHE 61 Cb 0.99 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 3de8 h PHE 61 CO 0.06 -0.22 0.57 0.07 -2.23 0.00 0.00 178.31 176.56 3de8 h ARG 62 N -0.24 1.10 0.00 1.11 -0.00 -1.03 -2.50 114.38 112.82 3de8 h ARG 62 Ca 0.06 -0.07 -0.04 0.00 -0.00 0.00 0.00 59.98 59.93 3de8 h ARG 62 Cb 0.31 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.97 30.03 3de8 h ARG 62 CO -0.16 0.72 -0.19 0.45 -0.00 0.00 0.00 179.97 180.80 3de8 h HIS 63 N 1.13 0.00 -0.61 4.08 3.86 -0.91 -2.45 115.15 120.24 3de8 h HIS 63 Ca 0.34 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.59 3de8 h HIS 63 Cb -0.04 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 3de8 h HIS 63 CO -0.02 0.19 0.40 0.78 0.86 0.00 0.00 177.93 180.14 3de8 h GLY 64 N 0.99 0.80 1.66 2.45 0.00 -0.84 -1.19 103.07 106.94 3de8 h GLY 64 Ca -0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 3de8 h GLY 64 CO 0.02 0.23 -0.50 0.74 0.00 0.00 0.00 176.54 177.04 3de8 h PHE 65 N 0.68 0.45 -0.86 5.60 -1.00 -1.52 -2.37 116.94 117.92 3de8 h PHE 65 Ca 0.25 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 3de8 h PHE 65 Cb 0.14 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.57 3de8 h PHE 65 CO -0.00 0.79 0.52 -0.44 -1.61 0.00 0.00 178.31 177.58 3de8 h ASP 66 N 0.29 1.03 -0.24 2.17 3.32 -1.26 0.20 116.42 121.94 3de8 h ASP 66 Ca 0.01 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3de8 h ASP 66 Cb 0.98 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3de8 h ASP 66 CO 0.08 0.79 0.11 0.40 -1.72 0.00 0.00 179.24 178.90 3de8 h ILE 67 N 1.19 1.16 -0.32 0.35 2.04 -1.26 -0.49 117.51 120.18 3de8 h ILE 67 Ca 0.31 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3de8 h ILE 67 Cb -0.05 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3de8 h ILE 67 CO -0.06 0.16 0.18 0.25 0.00 0.00 0.00 178.15 178.68 3de8 h LEU 68 N 0.25 0.41 -0.56 1.44 5.85 -1.03 -1.05 115.31 120.62 3de8 h LEU 68 Ca 0.08 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3de8 h LEU 68 Cb 0.15 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3de8 h LEU 68 CO -0.01 0.38 0.37 0.58 -0.34 0.00 0.00 178.44 179.42 3de8 h VAL 69 N 0.40 1.14 -0.89 1.05 2.07 -0.46 0.01 116.25 119.57 3de8 h VAL 69 Ca 0.11 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.42 3de8 h VAL 69 Cb 0.07 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 3de8 h VAL 69 CO -0.02 0.14 0.57 1.23 0.02 0.00 0.00 177.57 179.51 3de8 h GLY 70 N 0.75 1.32 1.59 2.17 0.00 -0.67 -0.60 103.07 107.64 3de8 h GLY 70 Ca 0.21 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 3de8 h GLY 70 CO -0.05 0.32 -0.57 1.46 0.00 0.00 0.00 176.54 177.70 3de8 h GLN 71 N 1.06 0.43 -0.62 4.80 4.20 -0.52 -2.33 115.11 122.13 3de8 h GLN 71 Ca 0.37 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3de8 h GLN 71 Cb 0.10 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3de8 h GLN 71 CO -0.15 0.88 0.36 0.82 -0.67 0.00 0.00 178.83 180.07 3de8 h ILE 72 N 0.33 1.19 -0.46 2.54 2.04 -0.60 -1.55 117.51 120.99 3de8 h ILE 72 Ca 0.00 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.48 3de8 h ILE 72 Cb 1.10 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 3de8 h ILE 72 CO 0.10 0.20 0.12 -0.74 0.00 0.00 0.00 178.15 177.83 3de8 h HIS 73 N 0.84 0.21 -0.76 1.37 2.76 -0.89 0.66 115.15 119.33 3de8 h HIS 73 Ca 0.22 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 3de8 h HIS 73 Cb 0.01 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 28.91 3de8 h HIS 73 CO -0.01 0.04 0.40 -0.44 -1.30 0.00 0.00 177.93 176.62 3de8 h ASP 74 N 0.27 0.97 -0.56 3.26 3.32 -1.15 -1.38 116.42 121.15 3de8 h ASP 74 Ca 0.22 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3de8 h ASP 74 Cb 0.27 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3de8 h ASP 74 CO -0.27 0.80 0.20 0.00 -1.72 0.00 0.00 179.24 178.26 3de8 h ALA 75 N 1.21 0.73 -0.84 3.45 0.00 -0.71 -2.53 119.26 120.57 3de8 h ALA 75 Ca 0.27 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3de8 h ALA 75 Cb 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3de8 h ALA 75 CO -0.04 0.36 0.53 1.25 0.00 0.00 0.00 179.25 181.35 3de8 h LEU 76 N 0.77 0.86 -1.02 0.00 5.85 -0.53 -1.87 115.31 119.37 3de8 h LEU 76 Ca 0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3de8 h LEU 76 Cb 0.24 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3de8 h LEU 76 CO -0.01 0.57 0.46 0.45 -0.34 0.00 0.00 178.44 179.57 3de8 h HIS 77 N 1.00 1.12 -0.53 1.25 3.86 -0.95 -0.37 115.15 120.53 3de8 h HIS 77 Ca 0.35 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.45 3de8 h HIS 77 Cb 0.07 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 3de8 h HIS 77 CO -0.03 0.77 0.01 -0.07 0.86 0.00 0.00 177.93 179.48 3de8 h LEU 78 N 1.15 0.91 -0.86 2.43 3.38 -0.99 -1.81 115.31 119.52 3de8 h LEU 78 Ca 0.29 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3de8 h LEU 78 Cb 0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3de8 h LEU 78 CO -0.05 0.98 0.55 0.00 0.09 0.00 0.00 178.44 180.02 3de8 h ALA 79 N 0.95 1.14 0.00 1.53 0.00 -0.85 -0.19 119.26 121.84 3de8 h ALA 79 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3de8 h ALA 79 Cb 0.51 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3de8 h ALA 79 CO 0.02 0.38 0.00 -0.91 0.00 0.00 0.00 179.25 178.75 3de8 h ASN 80 N 1.07 0.00 -0.01 0.00 4.21 -0.69 0.14 115.58 120.29 3de8 h ASN 80 Ca 0.35 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.86 3de8 h ASN 80 Cb 0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 3de8 h ASN 80 CO -0.12 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.40 3de8 n GLU 81 N -2.33 1.36 -1.17 0.81 1.02 -0.71 -4.89 120.64 114.72 3de8 n GLU 81 Ca 0.01 -0.52 -0.06 0.00 -0.02 0.00 0.00 57.16 56.58 3de8 n GLU 81 Cb 0.21 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 3de8 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3de8 n GLY 82 N 1.08 0.81 3.12 0.62 0.00 0.48 -4.95 105.19 106.34 3de8 n GLY 82 Ca 0.21 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 3de8 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3de8 n LYS 83 N -2.44 3.74 -0.12 1.61 5.02 -0.16 -4.80 118.16 121.00 3de8 n LYS 83 Ca -0.06 -3.97 -0.10 0.00 -2.02 0.00 0.00 58.31 52.17 3de8 n LYS 83 Cb 0.24 -2.81 -0.02 0.00 -0.02 0.00 0.00 35.03 32.42 3de8 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3de8 h VAL 84 N 3.89 1.22 -0.46 -0.18 2.07 -1.86 -0.59 116.25 120.34 3de8 h VAL 84 Ca 0.30 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 3de8 h VAL 84 Cb 0.72 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3de8 h VAL 84 CO 1.38 0.24 0.27 0.50 0.02 0.00 0.00 177.57 179.98 3de8 h LYS 85 N 0.42 0.62 -0.44 1.57 3.64 -1.96 0.98 116.57 121.40 3de8 h LYS 85 Ca 0.11 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 3de8 h LYS 85 Cb 0.27 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3de8 h LYS 85 CO -0.00 0.47 -0.10 0.93 -2.27 0.00 0.00 179.45 178.48 3de8 h GLU 86 N 0.60 0.79 -0.69 1.90 5.08 -1.92 -2.01 114.58 118.34 3de8 h GLU 86 Ca 0.16 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3de8 h GLU 86 Cb 0.01 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3de8 h GLU 86 CO -0.03 0.86 0.19 0.00 -1.00 0.00 0.00 179.01 179.03 3de8 h ALA 87 N 1.17 0.91 -0.76 3.43 0.00 -0.46 -0.44 119.26 123.10 3de8 h ALA 87 Ca 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3de8 h ALA 87 Cb 0.58 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3de8 h ALA 87 CO 0.04 0.61 0.45 1.96 0.00 0.00 0.00 179.25 182.31 3de8 h GLN 88 N 1.03 1.04 -0.26 0.00 4.20 -0.62 -0.20 115.11 120.29 3de8 h GLN 88 Ca 0.22 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3de8 h GLN 88 Cb 0.34 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3de8 h GLN 88 CO -0.00 0.74 0.14 0.00 -0.67 0.00 0.00 178.83 179.04 3de8 h ALA 89 N 1.24 0.34 -1.00 3.87 0.00 -1.02 -1.29 119.26 121.39 3de8 h ALA 89 Ca 0.27 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3de8 h ALA 89 Cb -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3de8 h ALA 89 CO -0.05 -0.13 0.66 0.00 0.00 0.00 0.00 179.25 179.73 3de8 h ALA 90 N 1.02 1.30 -0.52 0.00 0.00 -0.80 -1.99 119.26 118.25 3de8 h ALA 90 Ca 0.09 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3de8 h ALA 90 Cb 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3de8 h ALA 90 CO -0.01 0.61 -0.14 0.00 0.00 0.00 0.00 179.25 179.70 3de8 h ALA 91 N 1.39 0.72 -0.60 0.00 0.00 -0.75 -2.60 119.26 117.41 3de8 h ALA 91 Ca 0.38 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3de8 h ALA 91 Cb -0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3de8 h ALA 91 CO -0.10 0.66 0.23 1.49 0.00 0.00 0.00 179.25 181.53 3de8 h GLU 92 N 0.89 0.88 0.00 0.00 4.22 -0.96 -2.56 114.58 117.06 3de8 h GLU 92 Ca 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3de8 h GLU 92 Cb 0.72 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3de8 h GLU 92 CO 0.05 0.73 0.00 1.04 -2.18 0.00 0.00 179.01 178.66 3de8 n GLN 93 N -4.31 0.07 0.32 1.92 6.02 -0.77 -2.48 117.38 118.15 3de8 n GLN 93 Ca 0.05 0.21 0.20 0.00 -0.01 0.00 0.00 57.00 57.45 3de8 n GLN 93 Cb 0.18 -1.61 1.06 0.00 1.02 0.00 0.00 30.24 30.89 3de8 n GLN 93 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3de8 h LEU 94 N 0.00 0.00 -2.06 1.08 3.38 -1.15 -3.07 115.31 113.48 3de8 h LEU 94 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3de8 h LEU 94 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3de8 h LEU 94 CO 0.00 0.00 0.02 0.11 0.09 0.00 0.00 178.44 178.66 3de8 h LYS 95 N 0.00 0.00 -0.19 1.13 1.57 -1.67 -0.67 116.57 116.74 3de8 h LYS 95 Ca 0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3de8 h LYS 95 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3de8 h LYS 95 CO -0.00 0.00 -0.18 1.79 -0.57 0.00 0.00 179.45 180.49 3de8 h THR 96 N 0.00 1.22 -0.25 -0.16 1.35 -1.81 0.11 112.91 113.36 3de8 h THR 96 Ca 0.01 -1.01 -0.17 0.00 -0.55 0.00 0.00 66.41 64.69 3de8 h THR 96 Cb 0.06 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3de8 h THR 96 CO -0.00 0.31 -0.52 0.74 -0.25 0.00 0.00 175.52 175.80 3de8 h THR 97 N 0.29 1.29 0.09 6.82 2.02 -1.36 -0.78 112.91 121.29 3de8 h THR 97 Ca 0.05 -1.72 0.02 0.00 0.77 0.00 0.00 66.41 65.53 3de8 h THR 97 Cb 0.50 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 3de8 h THR 97 CO 0.03 0.55 -0.23 0.00 0.37 0.00 0.00 175.52 176.25 3de8 h ASN 99 N -0.41 1.06 -0.52 0.00 -0.26 -0.73 -1.80 115.58 112.92 3de8 h ASN 99 Ca 0.03 -0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 55.62 3de8 h ASN 99 Cb 0.44 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 3de8 h ASN 99 CO -0.14 0.88 0.21 0.00 -1.06 0.00 0.00 177.43 177.32 3de8 h ALA 100 N 1.28 0.68 -0.29 -0.83 0.00 -1.00 -0.74 119.26 118.35 3de8 h ALA 100 Ca 0.28 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3de8 h ALA 100 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3de8 h ALA 100 CO -0.04 0.29 -0.47 0.00 0.00 0.00 0.00 179.25 179.03 3de8 h HIS 102 N 0.62 1.03 -0.78 0.00 -0.00 -0.90 0.27 115.15 115.39 3de8 h HIS 102 Ca 0.03 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.49 3de8 h HIS 102 Cb 1.04 -0.35 -0.05 0.00 -0.00 0.00 0.00 27.41 28.05 3de8 h HIS 102 CO 0.06 0.62 0.51 0.37 -0.00 0.00 0.00 177.93 179.48 3de8 h GLN 103 N 1.09 0.80 0.13 2.45 4.15 -1.06 -1.30 115.11 121.38 3de8 h GLN 103 Ca 0.33 -0.05 -0.26 0.00 0.77 0.00 0.00 58.65 59.43 3de8 h GLN 103 Cb -0.05 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.47 3de8 h GLN 103 CO -0.10 0.53 -1.30 0.87 -1.93 0.00 0.00 178.83 176.90 3de8 h LYS 104 N 0.83 0.28 0.00 1.69 1.57 -1.40 -3.44 116.57 116.10 3de8 h LYS 104 Ca 0.34 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3de8 h LYS 104 Cb 0.25 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3de8 h LYS 104 CO -0.12 1.23 0.00 0.66 -0.57 0.00 0.00 179.45 180.65 3de8 n TYR 105 N -3.94 0.00 1.35 -1.35 0.53 0.02 -5.10 117.16 108.68 3de8 n TYR 105 Ca -0.22 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.79 3de8 n TYR 105 Cb 0.90 0.00 0.40 0.00 -1.03 0.00 0.00 39.34 39.61 3de8 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71