#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm3 s ASP 2 N 0.00 5.54 0.26 0.00 -4.77 -1.26 -4.87 116.67 111.57 1lm3 s ASP 2 Ca 0.00 -0.50 -0.01 0.00 -3.30 0.00 0.00 52.55 48.73 1lm3 s ASP 2 Cb 0.00 -0.52 0.55 0.00 -1.09 0.00 0.00 42.92 41.86 1lm3 s ASP 2 CO 0.00 -0.83 1.72 0.25 0.70 0.00 0.00 175.17 177.00 1lm3 h LEU 3 N 0.60 0.29 -1.19 2.11 5.85 -1.95 0.41 115.31 121.43 1lm3 h LEU 3 Ca -0.39 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1lm3 h LEU 3 Cb 1.28 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 1lm3 h LEU 3 CO 0.45 0.07 0.56 -0.08 -0.34 0.00 0.00 178.44 179.10 1lm3 h GLU 4 N 0.43 1.05 0.02 1.25 4.81 -2.00 -1.27 114.58 118.86 1lm3 h GLU 4 Ca 0.47 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 59.42 1lm3 h GLU 4 Cb 0.77 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1lm3 h GLU 4 CO -0.45 0.69 -0.94 -0.44 -0.73 0.00 0.00 179.01 177.14 1lm3 h ASP 5 N 1.08 0.34 0.03 1.04 3.32 -0.78 -2.91 116.42 118.53 1lm3 h ASP 5 Ca 0.33 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1lm3 h ASP 5 Cb -0.02 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1lm3 h ASP 5 CO -0.09 1.11 -0.01 0.78 -1.72 0.00 0.00 179.24 179.31 1lm3 h ASN 6 N 0.13 -0.03 -0.87 6.45 2.35 0.40 -1.38 115.58 122.63 1lm3 h ASN 6 Ca -0.06 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 1lm3 h ASN 6 Cb 1.59 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.93 1lm3 h ASN 6 CO 0.15 0.14 0.48 0.24 -1.65 0.00 0.00 177.43 176.79 1lm3 h MET 7 N -0.20 1.22 -0.77 0.81 2.86 -1.36 -1.62 114.93 115.86 1lm3 h MET 7 Ca -0.00 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1lm3 h MET 7 Cb 0.19 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 1lm3 h MET 7 CO 0.01 0.89 0.37 1.49 1.06 0.00 0.00 176.91 180.73 1lm3 h GLU 8 N 1.22 1.10 -0.03 1.72 4.81 -1.31 0.90 114.58 122.99 1lm3 h GLU 8 Ca 0.31 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1lm3 h GLU 8 Cb 0.03 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1lm3 h GLU 8 CO -0.05 0.85 -0.44 1.15 -0.73 0.00 0.00 179.01 179.79 1lm3 h THR 9 N 1.10 1.32 0.23 0.32 2.02 -0.54 -1.91 112.91 115.44 1lm3 h THR 9 Ca 0.27 -1.53 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 1lm3 h THR 9 Cb 0.10 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1lm3 h THR 9 CO -0.03 0.44 -0.11 -0.07 0.37 0.00 0.00 175.52 176.12 1lm3 h LEU 10 N 0.06 -0.26 -0.16 2.58 3.38 -0.38 -2.86 115.31 117.68 1lm3 h LEU 10 Ca 0.00 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1lm3 h LEU 10 Cb 0.80 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1lm3 h LEU 10 CO 0.06 0.25 -0.25 -1.13 0.09 0.00 0.00 178.44 177.46 1lm3 h ASN 11 N -0.91 -0.78 -0.32 -0.43 -1.24 -0.83 -1.74 115.58 109.33 1lm3 h ASN 11 Ca -0.03 0.13 0.07 0.00 0.71 0.00 0.00 56.30 57.18 1lm3 h ASN 11 Cb 0.50 0.35 -0.07 0.00 0.73 0.00 0.00 38.32 39.83 1lm3 h ASN 11 CO 0.05 -0.30 -0.17 0.44 -1.29 0.00 0.00 177.43 176.17 1lm3 h ASP 12 N -0.30 -0.57 0.20 1.15 3.32 -1.45 -2.23 116.42 116.54 1lm3 h ASP 12 Ca 0.11 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 1lm3 h ASP 12 Cb 0.47 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1lm3 h ASP 12 CO -0.33 -0.20 -0.23 0.78 -1.72 0.00 0.00 179.24 177.54 1lm3 h ASN 13 N -0.12 0.05 0.65 6.45 4.21 -1.21 -1.00 115.58 124.60 1lm3 h ASN 13 Ca 0.17 -0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.60 1lm3 h ASN 13 Cb 0.38 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1lm3 h ASN 13 CO -0.40 0.28 -0.31 0.25 -1.29 0.00 0.00 177.43 175.96 1lm3 h LEU 14 N 0.05 0.00 0.30 1.61 5.85 -0.74 -1.77 115.31 120.61 1lm3 h LEU 14 Ca 0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1lm3 h LEU 14 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1lm3 h LEU 14 CO 0.03 0.31 -0.14 0.50 -0.34 0.00 0.00 178.44 178.80 1lm3 h LYS 15 N 0.00 -0.39 -0.91 1.25 3.11 -0.80 -2.96 116.57 115.88 1lm3 h LYS 15 Ca -0.00 0.03 0.20 0.00 -2.81 0.00 0.00 60.65 58.06 1lm3 h LYS 15 Cb 0.72 0.09 -0.11 0.00 -1.00 0.00 0.00 32.23 31.92 1lm3 h LYS 15 CO 0.04 -0.07 0.46 0.28 -2.81 0.00 0.00 179.45 177.35 1lm3 h VAL 16 N -0.74 0.57 0.00 2.00 2.07 -1.04 0.57 116.25 119.69 1lm3 h VAL 16 Ca -0.04 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1lm3 h VAL 16 Cb 0.50 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1lm3 h VAL 16 CO 0.07 0.10 -0.01 0.40 0.02 0.00 0.00 177.57 178.14 1lm3 h ILE 17 N 0.52 0.04 0.01 4.57 2.04 -1.27 0.18 117.51 123.61 1lm3 h ILE 17 Ca 0.55 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 1lm3 h ILE 17 Cb 0.96 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1lm3 h ILE 17 CO -0.46 0.01 -0.01 -0.33 0.00 0.00 0.00 178.15 177.37 1lm3 h GLU 18 N 0.00 -0.01 0.00 2.37 5.08 0.29 -3.27 114.58 119.04 1lm3 h GLU 18 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lm3 h GLU 18 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1lm3 h GLU 18 CO 0.00 0.79 0.00 1.63 -1.00 0.00 0.00 179.01 180.43 1lm3 n LYS 19 N -4.68 0.46 -2.20 2.33 5.02 -0.74 -4.87 118.16 113.47 1lm3 n LYS 19 Ca -0.09 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 1lm3 n LYS 19 Cb 0.39 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1lm3 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lm3 s ALA 20 N -2.38 3.54 -0.24 7.82 0.00 0.61 -4.96 121.76 126.15 1lm3 s ALA 20 Ca 0.26 1.11 -0.07 0.00 0.00 0.00 0.00 51.96 53.27 1lm3 s ALA 20 Cb 0.15 -3.50 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 1lm3 s ALA 20 CO 0.32 -0.56 -0.27 -0.40 0.00 0.00 0.00 175.76 174.84 1lm3 n ASP 21 N 2.93 1.93 -4.98 0.00 5.75 -1.26 -5.02 116.55 115.89 1lm3 n ASP 21 Ca 0.07 0.13 -0.20 0.00 -0.01 0.00 0.00 54.79 54.79 1lm3 n ASP 21 Cb 0.43 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.96 1lm3 n ASP 21 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1lm3 s ASN 22 N -6.83 5.41 0.01 -1.12 2.20 -1.26 -4.98 114.94 108.36 1lm3 s ASN 22 Ca -0.33 -0.18 -0.25 0.00 -0.94 0.00 0.00 52.86 51.15 1lm3 s ASN 22 Cb 0.11 -0.76 -0.17 0.00 -2.00 0.00 0.00 41.25 38.43 1lm3 s ASN 22 CO 0.47 -1.01 1.26 0.00 -2.94 0.00 0.00 177.10 174.89 1lm3 h ALA 23 N 0.28 -0.32 -0.77 3.54 0.00 -1.90 -3.31 119.26 116.78 1lm3 h ALA 23 Ca -0.41 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.41 1lm3 h ALA 23 Cb 1.29 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 1lm3 h ALA 23 CO 0.49 -0.50 -0.48 0.00 0.00 0.00 0.00 179.25 178.75 1lm3 h ALA 24 N -0.03 -0.34 -0.82 0.00 0.00 -1.96 0.62 119.26 116.73 1lm3 h ALA 24 Ca -0.03 0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.21 1lm3 h ALA 24 Cb 0.47 1.11 -0.13 0.00 0.00 0.00 0.00 17.79 19.24 1lm3 h ALA 24 CO 0.05 -0.85 0.15 1.96 0.00 0.00 0.00 179.25 180.56 1lm3 h GLN 25 N -0.14 0.18 -0.45 0.00 4.20 -1.99 0.61 115.11 117.52 1lm3 h GLN 25 Ca 0.20 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1lm3 h GLN 25 Cb 0.53 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1lm3 h GLN 25 CO -0.81 0.12 0.16 0.28 -0.67 0.00 0.00 178.83 177.91 1lm3 h VAL 26 N 0.18 1.18 0.18 -0.54 2.07 -0.99 -2.27 116.25 116.06 1lm3 h VAL 26 Ca 0.48 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1lm3 h VAL 26 Cb 0.91 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1lm3 h VAL 26 CO -0.64 0.22 -0.09 0.50 0.02 0.00 0.00 177.57 177.59 1lm3 h LYS 27 N 0.65 -0.23 -0.55 1.57 3.64 0.94 -2.57 116.57 120.03 1lm3 h LYS 27 Ca 0.16 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1lm3 h LYS 27 Cb 0.16 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1lm3 h LYS 27 CO -0.01 0.18 0.37 0.22 -2.27 0.00 0.00 179.45 177.93 1lm3 h ASP 28 N -0.76 0.36 -0.33 4.20 1.82 -1.14 0.18 116.42 120.76 1lm3 h ASP 28 Ca -0.02 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.55 1lm3 h ASP 28 Cb 0.51 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 1lm3 h ASP 28 CO 0.04 0.23 -0.07 0.00 -1.61 0.00 0.00 179.24 177.83 1lm3 h ALA 29 N 1.72 0.45 -0.19 -0.78 0.00 -1.39 -2.59 119.26 116.47 1lm3 h ALA 29 Ca 0.25 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1lm3 h ALA 29 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1lm3 h ALA 29 CO -0.06 0.28 -0.11 -0.07 0.00 0.00 0.00 179.25 179.28 1lm3 h LEU 30 N 0.40 0.44 -0.90 0.00 3.38 -0.85 -1.36 115.31 116.41 1lm3 h LEU 30 Ca 0.08 -0.43 0.25 0.00 0.09 0.00 0.00 57.88 57.88 1lm3 h LEU 30 Cb 0.56 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.04 1lm3 h LEU 30 CO 0.03 0.77 0.27 0.74 0.09 0.00 0.00 178.44 180.34 1lm3 h THR 31 N 0.11 0.28 -0.39 0.22 2.02 -0.65 0.44 112.91 114.94 1lm3 h THR 31 Ca 0.04 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 1lm3 h THR 31 Cb 0.61 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1lm3 h THR 31 CO 0.03 0.04 -0.31 0.11 0.37 0.00 0.00 175.52 175.76 1lm3 h LYS 32 N 0.20 0.91 0.00 6.66 1.57 -1.19 -2.65 116.57 122.06 1lm3 h LYS 32 Ca 0.58 -0.45 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1lm3 h LYS 32 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1lm3 h LYS 32 CO -0.67 1.10 -0.33 0.52 -0.57 0.00 0.00 179.45 179.50 1lm3 h MET 33 N 0.72 0.00 -0.05 3.15 2.86 0.81 -1.49 114.93 120.94 1lm3 h MET 33 Ca 0.07 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.53 1lm3 h MET 33 Cb 0.89 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1lm3 h MET 33 CO 0.08 0.33 -0.77 -0.09 1.06 0.00 0.00 176.91 177.53 1lm3 h ARG 34 N 0.00 0.32 -0.05 1.72 2.43 -0.26 -1.94 114.38 116.60 1lm3 h ARG 34 Ca -0.00 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 1lm3 h ARG 34 Cb 0.70 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1lm3 h ARG 34 CO 0.04 0.94 -0.04 0.00 -1.51 0.00 0.00 179.97 179.40 1lm3 h ALA 35 N 0.97 0.08 -0.32 2.80 0.00 -1.11 -3.04 119.26 118.63 1lm3 h ALA 35 Ca -0.03 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1lm3 h ALA 35 Cb 1.35 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1lm3 h ALA 35 CO 0.13 -0.14 0.12 0.00 0.00 0.00 0.00 179.25 179.35 1lm3 h ALA 36 N 0.57 0.37 -0.06 0.00 0.00 -1.28 -2.27 119.26 116.59 1lm3 h ALA 36 Ca 0.01 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1lm3 h ALA 36 Cb 0.53 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1lm3 h ALA 36 CO 0.01 -0.28 -0.25 0.00 0.00 0.00 0.00 179.25 178.74 1lm3 h ALA 37 N 1.20 -0.28 -0.67 0.00 0.00 -1.39 0.13 119.26 118.25 1lm3 h ALA 37 Ca 0.14 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1lm3 h ALA 37 Cb 0.11 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1lm3 h ALA 37 CO -0.15 -0.73 0.39 -0.07 0.00 0.00 0.00 179.25 178.70 1lm3 h LEU 38 N -0.35 0.61 0.38 0.00 3.38 -1.41 -0.92 115.31 117.00 1lm3 h LEU 38 Ca 0.08 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1lm3 h LEU 38 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1lm3 h LEU 38 CO -0.26 0.41 -0.18 -0.78 0.09 0.00 0.00 178.44 177.72 1lm3 h ASP 39 N 0.74 -0.43 -0.96 -0.43 3.58 -0.87 -2.43 116.42 115.63 1lm3 h ASP 39 Ca 0.29 -0.02 0.28 0.00 0.42 0.00 0.00 57.03 57.99 1lm3 h ASP 39 Cb 0.11 0.11 -0.14 0.00 1.72 0.00 0.00 39.33 41.13 1lm3 h ASP 39 CO -0.15 -0.26 0.45 0.00 -2.88 0.00 0.00 179.24 176.41 1lm3 h ALA 40 N 0.04 1.68 -0.73 -0.78 0.00 -0.21 0.30 119.26 119.56 1lm3 h ALA 40 Ca -0.05 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1lm3 h ALA 40 Cb 0.43 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1lm3 h ALA 40 CO 0.09 -0.49 0.43 0.37 0.00 0.00 0.00 179.25 179.65 1lm3 h GLN 41 N 0.32 0.99 0.00 0.00 4.15 -0.72 -1.28 115.11 118.57 1lm3 h GLN 41 Ca 0.65 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.98 1lm3 h GLN 41 Cb 1.40 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1lm3 h GLN 41 CO -0.60 0.70 0.00 1.63 -1.93 0.00 0.00 178.83 178.63 1lm3 n LYS 42 N -4.38 0.55 -3.49 1.69 5.02 0.11 -4.78 118.16 112.87 1lm3 n LYS 42 Ca 0.08 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.16 1lm3 n LYS 42 Cb 0.07 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1lm3 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lm3 s ALA 43 N -2.00 4.15 -0.26 7.82 0.00 -0.48 -5.11 121.76 125.87 1lm3 s ALA 43 Ca 0.20 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.34 1lm3 s ALA 43 Cb 0.09 -1.09 0.06 0.00 0.00 0.00 0.00 23.12 22.19 1lm3 s ALA 43 CO 0.16 -0.25 -0.07 0.99 0.00 0.00 0.00 175.76 176.58 1lm3 s THR 44 N -2.47 1.92 0.59 0.00 2.01 -1.26 -5.06 115.64 111.37 1lm3 s THR 44 Ca 0.49 -1.55 -0.20 0.00 0.31 0.00 0.00 61.69 60.74 1lm3 s THR 44 Cb -0.04 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1lm3 s THR 44 CO 0.29 -0.12 1.34 -2.84 -0.69 0.00 0.00 174.62 172.59 1lm3 s PRO 45 N 1.20 2.86 0.53 4.92 0.02 -1.26 -4.76 135.00 138.50 1lm3 s PRO 45 Ca -0.06 2.17 0.26 0.00 0.02 0.00 0.00 61.00 63.40 1lm3 s PRO 45 Cb -0.19 -2.07 1.40 0.00 0.02 0.00 0.00 34.50 33.66 1lm3 s PRO 45 CO -0.06 -1.39 1.96 -1.35 -0.33 0.00 0.00 177.00 175.83 1lm3 h PRO 46 N 1.03 0.03 0.00 5.54 0.11 -2.00 0.16 132.00 136.87 1lm3 h PRO 46 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1lm3 h PRO 46 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1lm3 h PRO 46 CO 0.55 0.02 0.00 1.63 -0.21 0.00 0.00 178.00 179.99 1lm3 n LYS 47 N -4.36 0.08 -0.01 1.05 4.76 -1.26 -3.44 118.16 114.98 1lm3 n LYS 47 Ca 0.12 0.05 0.01 0.00 -2.87 0.00 0.00 58.31 55.63 1lm3 n LYS 47 Cb 0.70 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.41 1lm3 n LYS 47 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1lm3 n LEU 48 N -1.46 1.61 -0.35 -0.35 4.77 0.50 -4.80 117.00 116.93 1lm3 n LEU 48 Ca 0.08 -1.45 0.10 0.00 -0.03 0.00 0.00 56.01 54.71 1lm3 n LEU 48 Cb 0.28 -0.02 0.22 0.00 -2.33 0.00 0.00 43.42 41.57 1lm3 n LEU 48 CO 0.23 0.39 0.72 -0.62 -1.33 0.00 0.00 177.39 176.78 1lm3 n GLU 49 N -0.09 -0.08 0.13 3.23 1.02 -0.93 -0.85 120.64 123.07 1lm3 n GLU 49 Ca 0.02 1.50 -0.22 0.00 -0.02 0.00 0.00 57.16 58.44 1lm3 n GLU 49 Cb 0.15 -2.32 -0.15 0.00 -0.02 0.00 0.00 31.44 29.10 1lm3 n GLU 49 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1lm3 h ASP 50 N 0.00 0.73 -0.99 1.62 3.32 -1.87 -3.47 116.42 115.76 1lm3 h ASP 50 Ca 0.54 -0.78 -0.62 0.00 0.02 0.00 0.00 57.03 56.18 1lm3 h ASP 50 Cb 0.99 -0.24 0.11 0.00 0.22 0.00 0.00 39.33 40.41 1lm3 h ASP 50 CO -0.97 1.61 -0.53 0.29 -1.72 0.00 0.00 179.24 177.93 1lm3 n LYS 51 N -3.66 0.00 -2.30 3.56 4.76 -0.03 -4.87 118.16 115.61 1lm3 n LYS 51 Ca -0.15 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.94 1lm3 n LYS 51 Cb 1.08 -0.94 -0.01 0.00 -1.84 0.00 0.00 35.03 33.33 1lm3 n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1lm3 s SER 52 N -0.94 5.94 0.53 4.39 0.15 -1.26 -4.89 113.70 117.62 1lm3 s SER 52 Ca 0.59 2.17 0.44 0.00 0.70 0.00 0.00 55.95 59.86 1lm3 s SER 52 Cb -0.85 -2.58 1.65 0.00 -1.71 0.00 0.00 66.02 62.53 1lm3 s SER 52 CO 0.53 -1.07 1.62 -0.65 1.20 0.00 0.00 173.24 174.87 1lm3 h PRO 53 N 1.49 0.02 -0.04 5.44 0.11 -1.96 0.49 132.00 137.54 1lm3 h PRO 53 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1lm3 h PRO 53 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1lm3 h PRO 53 CO 0.58 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 1lm3 n ASP 54 N -4.14 2.58 -4.66 -2.05 3.85 -1.26 -4.81 116.55 106.06 1lm3 n ASP 54 Ca 0.40 -3.06 -0.39 0.00 -0.71 0.00 0.00 54.79 51.03 1lm3 n ASP 54 Cb 1.77 -0.44 0.04 0.00 -1.35 0.00 0.00 41.12 41.14 1lm3 n ASP 54 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1lm3 n SER 55 N -1.28 1.59 -0.25 -1.12 3.41 0.17 -4.72 113.62 111.42 1lm3 n SER 55 Ca 0.17 0.92 0.28 0.00 -0.26 0.00 0.00 58.87 59.98 1lm3 n SER 55 Cb 0.67 -1.45 0.66 0.00 -0.26 0.00 0.00 64.21 63.84 1lm3 n SER 55 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1lm3 h PRO 56 N 1.09 0.12 0.36 4.33 0.11 -1.96 0.26 132.00 136.30 1lm3 h PRO 56 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1lm3 h PRO 56 Cb 1.34 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1lm3 h PRO 56 CO 0.54 0.08 -0.18 0.93 -0.21 0.00 0.00 178.00 179.17 1lm3 h GLU 57 N 0.12 -0.47 -0.62 1.05 3.07 -1.93 -0.46 114.58 115.35 1lm3 h GLU 57 Ca 0.50 0.03 0.18 0.00 -0.50 0.00 0.00 59.36 59.57 1lm3 h GLU 57 Cb 1.74 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.73 1lm3 h GLU 57 CO -0.08 -0.19 0.59 0.52 -1.40 0.00 0.00 179.01 178.45 1lm3 h MET 58 N -0.72 0.00 0.02 2.33 2.86 -0.79 0.58 114.93 119.21 1lm3 h MET 58 Ca -0.05 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.32 1lm3 h MET 58 Cb 0.50 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 1lm3 h MET 58 CO 0.08 0.00 -1.45 0.87 1.06 0.00 0.00 176.91 177.48 1lm3 h LYS 59 N 0.00 0.04 0.51 1.72 1.57 -0.97 -3.05 116.57 116.40 1lm3 h LYS 59 Ca 0.29 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1lm3 h LYS 59 Cb 1.48 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.82 1lm3 h LYS 59 CO -0.00 0.78 -0.24 0.22 -0.57 0.00 0.00 179.45 179.63 1lm3 h ASP 60 N 0.01 -0.58 -0.89 0.86 3.58 0.18 -1.77 116.42 117.81 1lm3 h ASP 60 Ca -0.19 0.02 0.18 0.00 0.42 0.00 0.00 57.03 57.47 1lm3 h ASP 60 Cb 1.93 0.15 -0.11 0.00 1.72 0.00 0.00 39.33 43.02 1lm3 h ASP 60 CO 0.11 -0.18 0.45 -0.29 -2.88 0.00 0.00 179.24 176.44 1lm3 h ILE 61 N -1.14 0.62 0.15 2.25 6.09 -1.27 0.14 117.51 124.35 1lm3 h ILE 61 Ca -0.07 -0.19 0.02 0.00 -1.37 0.00 0.00 64.86 63.25 1lm3 h ILE 61 Cb 0.52 0.02 -0.03 0.00 0.47 0.00 0.00 36.82 37.80 1lm3 h ILE 61 CO 0.11 0.10 -0.30 -0.09 -3.07 0.00 0.00 178.15 174.91 1lm3 h ARG 62 N 0.55 -0.52 -0.89 2.19 1.12 -1.52 -2.16 114.38 113.15 1lm3 h ARG 62 Ca 0.52 0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.42 1lm3 h ARG 62 Cb 0.86 0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 30.90 1lm3 h ARG 62 CO -0.43 -0.35 0.52 1.25 -3.11 0.00 0.00 179.97 177.85 1lm3 h HIS 63 N -0.54 1.20 -0.50 2.20 2.76 -0.32 -2.68 115.15 117.27 1lm3 h HIS 63 Ca 0.02 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.28 1lm3 h HIS 63 Cb 0.55 -0.39 -0.10 0.00 1.55 0.00 0.00 27.41 29.02 1lm3 h HIS 63 CO -0.25 0.81 -0.28 0.78 -1.30 0.00 0.00 177.93 177.69 1lm3 h GLY 64 N 1.24 -0.02 1.59 5.26 0.00 -0.15 0.15 103.07 111.14 1lm3 h GLY 64 Ca 0.32 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 48.00 1lm3 h GLY 64 CO -0.06 -0.21 0.22 -0.97 0.00 0.00 0.00 176.54 175.52 1lm3 h TYR 65 N -0.16 0.53 0.00 5.60 0.05 -1.13 0.22 116.97 122.08 1lm3 h TYR 65 Ca 0.22 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.97 1lm3 h TYR 65 Cb 0.51 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 1lm3 h TYR 65 CO -0.55 0.37 -0.13 -0.44 -1.05 0.00 0.00 178.16 176.37 1lm3 h ASP 66 N 0.55 0.00 0.71 3.88 3.32 -0.56 0.88 116.42 125.20 1lm3 h ASP 66 Ca 0.14 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.93 1lm3 h ASP 66 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1lm3 h ASP 66 CO -0.02 0.13 -1.20 0.40 -1.72 0.00 0.00 179.24 176.83 1lm3 h ILE 67 N 0.00 1.53 -0.02 0.35 1.08 -0.02 -2.07 117.51 118.36 1lm3 h ILE 67 Ca -0.00 -3.14 -0.01 0.00 -0.39 0.00 0.00 64.86 61.32 1lm3 h ILE 67 Cb 0.33 2.91 -0.00 0.00 -3.07 0.00 0.00 36.82 36.99 1lm3 h ILE 67 CO 0.02 0.91 -0.03 0.25 -0.69 0.00 0.00 178.15 178.61 1lm3 h LEU 68 N 0.06 0.05 -0.91 1.44 5.85 -0.38 -1.27 115.31 120.15 1lm3 h LEU 68 Ca -0.11 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.06 1lm3 h LEU 68 Cb 1.93 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.90 1lm3 h LEU 68 CO 0.18 0.58 0.49 0.58 -0.34 0.00 0.00 178.44 179.93 1lm3 h VAL 69 N -0.47 1.26 -0.17 1.05 2.07 -0.97 0.00 116.25 119.02 1lm3 h VAL 69 Ca 0.00 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1lm3 h VAL 69 Cb 0.56 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1lm3 h VAL 69 CO 0.01 0.30 -0.12 1.23 0.02 0.00 0.00 177.57 179.00 1lm3 h GLY 70 N 1.27 0.01 2.00 2.17 0.00 -1.28 -0.13 103.07 107.12 1lm3 h GLY 70 Ca 0.32 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.77 1lm3 h GLY 70 CO -0.05 -0.13 -0.12 1.46 0.00 0.00 0.00 176.54 177.70 1lm3 h GLN 71 N -0.12 0.00 -0.05 4.80 4.20 -0.44 -1.93 115.11 121.57 1lm3 h GLN 71 Ca 0.10 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.62 1lm3 h GLN 71 Cb 0.27 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1lm3 h GLN 71 CO -0.24 0.12 -0.70 0.82 -0.67 0.00 0.00 178.83 178.15 1lm3 h ILE 72 N 0.00 1.35 -0.94 2.54 2.04 0.16 -2.86 117.51 119.79 1lm3 h ILE 72 Ca -0.00 -2.03 -0.01 0.00 1.00 0.00 0.00 64.86 63.83 1lm3 h ILE 72 Cb 0.43 2.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 1lm3 h ILE 72 CO 0.02 0.61 0.56 0.44 0.00 0.00 0.00 178.15 179.78 1lm3 h ASP 73 N 0.18 1.14 -0.47 1.72 3.32 -0.61 0.49 116.42 122.19 1lm3 h ASP 73 Ca -0.07 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.00 1lm3 h ASP 73 Cb 1.37 -0.29 -0.08 0.00 0.22 0.00 0.00 39.33 40.55 1lm3 h ASP 73 CO 0.14 0.88 -0.06 0.44 -1.72 0.00 0.00 179.24 178.91 1lm3 h ASP 74 N 1.30 -0.33 1.60 6.45 3.32 -1.26 1.28 116.42 128.77 1lm3 h ASP 74 Ca 0.34 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.47 1lm3 h ASP 74 Cb -0.05 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1lm3 h ASP 74 CO -0.06 -0.12 -0.24 0.00 -1.72 0.00 0.00 179.24 177.10 1lm3 h ALA 75 N 1.45 0.87 -0.02 3.45 0.00 -1.19 -3.04 119.26 120.77 1lm3 h ALA 75 Ca 0.23 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1lm3 h ALA 75 Cb 0.36 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1lm3 h ALA 75 CO -0.45 0.30 -0.59 1.25 0.00 0.00 0.00 179.25 179.76 1lm3 h LEU 76 N 0.00 0.56 -0.68 0.00 5.85 0.21 -0.62 115.31 120.63 1lm3 h LEU 76 Ca -0.00 -0.73 0.13 0.00 0.84 0.00 0.00 57.88 58.11 1lm3 h LEU 76 Cb 1.10 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.87 1lm3 h LEU 76 CO 0.03 1.21 0.21 0.50 -0.34 0.00 0.00 178.44 180.06 1lm3 h LYS 77 N -0.05 0.34 -0.02 1.25 3.11 0.16 -2.17 116.57 119.19 1lm3 h LYS 77 Ca -0.07 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1lm3 h LYS 77 Cb 1.29 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.44 1lm3 h LYS 77 CO 0.12 0.23 -0.00 -0.07 -2.81 0.00 0.00 179.45 176.91 1lm3 h LEU 78 N 0.35 0.04 -1.88 5.20 3.38 -1.42 -2.99 115.31 117.99 1lm3 h LEU 78 Ca 0.36 -0.37 0.20 0.00 0.09 0.00 0.00 57.88 58.16 1lm3 h LEU 78 Cb 0.54 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1lm3 h LEU 78 CO -0.40 0.39 0.52 0.00 0.09 0.00 0.00 178.44 179.04 1lm3 h ALA 79 N 0.64 2.54 -0.48 1.53 0.00 -0.78 0.58 119.26 123.29 1lm3 h ALA 79 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1lm3 h ALA 79 Cb 0.38 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1lm3 h ALA 79 CO 0.00 -0.75 -0.12 -0.97 0.00 0.00 0.00 179.25 177.41 1lm3 h ASN 80 N 0.11 0.89 0.26 0.00 -1.24 -1.26 -1.38 115.58 112.96 1lm3 h ASN 80 Ca 0.36 -0.29 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1lm3 h ASN 80 Cb 1.26 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1lm3 h ASN 80 CO -0.04 1.02 0.00 -0.62 -1.29 0.00 0.00 177.43 176.50 1lm3 n GLU 81 N -4.15 0.48 -0.53 6.67 1.02 0.15 -4.84 120.64 119.44 1lm3 n GLU 81 Ca 0.01 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1lm3 n GLU 81 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1lm3 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lm3 n GLY 82 N 0.56 0.76 3.49 0.62 0.00 -0.52 -4.99 105.19 105.11 1lm3 n GLY 82 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1lm3 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lm3 n LYS 83 N -2.14 3.23 0.00 1.61 5.02 -0.92 -4.73 118.16 120.22 1lm3 n LYS 83 Ca 0.00 -3.39 0.00 0.00 -2.02 0.00 0.00 58.31 52.90 1lm3 n LYS 83 Cb 0.00 -3.37 0.00 0.00 -0.02 0.00 0.00 35.03 31.64 1lm3 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1lm3 n VAL 84 N 5.84 0.00 -0.04 -0.18 0.31 -1.26 -1.85 118.33 121.14 1lm3 n VAL 84 Ca 0.46 0.42 -0.00 0.00 -0.01 0.00 0.00 64.34 65.21 1lm3 n VAL 84 Cb 0.45 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1lm3 n VAL 84 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1lm3 n LYS 85 N 0.00 -0.03 -0.32 5.55 5.02 -1.26 0.23 118.16 127.35 1lm3 n LYS 85 Ca 0.00 0.18 -0.03 0.00 -2.02 0.00 0.00 58.31 56.44 1lm3 n LYS 85 Cb 0.00 -0.26 0.09 0.00 -0.02 0.00 0.00 35.03 34.84 1lm3 n LYS 85 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1lm3 h GLU 86 N 0.00 1.12 0.48 1.97 5.08 -1.97 0.55 114.58 121.81 1lm3 h GLU 86 Ca 0.04 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1lm3 h GLU 86 Cb 0.07 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1lm3 h GLU 86 CO -0.11 0.74 -0.23 0.00 -1.00 0.00 0.00 179.01 178.40 1lm3 h ALA 87 N 1.33 -0.64 -0.95 3.43 0.00 0.37 0.09 119.26 122.88 1lm3 h ALA 87 Ca 0.33 -0.19 0.28 0.00 0.00 0.00 0.00 54.91 55.33 1lm3 h ALA 87 Cb -0.09 0.25 -0.17 0.00 0.00 0.00 0.00 17.79 17.78 1lm3 h ALA 87 CO -0.08 -0.68 0.20 1.96 0.00 0.00 0.00 179.25 180.65 1lm3 h GLN 88 N -1.00 0.08 0.25 0.00 4.20 -1.05 0.90 115.11 118.50 1lm3 h GLN 88 Ca -0.07 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1lm3 h GLN 88 Cb 0.59 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1lm3 h GLN 88 CO 0.11 0.05 -0.12 0.00 -0.67 0.00 0.00 178.83 178.20 1lm3 h ALA 89 N 1.91 -0.33 -0.05 3.87 0.00 -0.75 -2.57 119.26 121.34 1lm3 h ALA 89 Ca 0.63 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1lm3 h ALA 89 Cb 1.37 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1lm3 h ALA 89 CO -0.79 -0.57 0.09 0.00 0.00 0.00 0.00 179.25 177.98 1lm3 h ALA 90 N 0.11 1.44 0.00 0.00 0.00 0.19 0.66 119.26 121.66 1lm3 h ALA 90 Ca -0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1lm3 h ALA 90 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1lm3 h ALA 90 CO 0.06 -0.11 -0.51 0.00 0.00 0.00 0.00 179.25 178.68 1lm3 h ALA 91 N 1.87 0.78 -0.40 0.00 0.00 0.95 -3.22 119.26 119.24 1lm3 h ALA 91 Ca 0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1lm3 h ALA 91 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1lm3 h ALA 91 CO -0.00 0.63 -0.17 0.93 0.00 0.00 0.00 179.25 180.65 1lm3 h GLU 92 N 0.00 0.75 0.00 0.00 4.39 -0.57 -2.38 114.58 116.76 1lm3 h GLU 92 Ca -0.01 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1lm3 h GLU 92 Cb 1.21 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1lm3 h GLU 92 CO 0.07 0.87 0.35 1.96 -1.16 0.00 0.00 179.01 181.10 1lm3 h GLN 93 N 0.67 0.00 -0.14 2.33 4.20 -1.59 0.18 115.11 120.76 1lm3 h GLN 93 Ca 0.10 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 1lm3 h GLN 93 Cb 0.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1lm3 h GLN 93 CO 0.05 0.00 -0.43 -0.07 -0.67 0.00 0.00 178.83 177.71 1lm3 h LEU 94 N 0.00 0.34 -2.11 1.46 3.38 -1.62 -2.68 115.31 114.08 1lm3 h LEU 94 Ca 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1lm3 h LEU 94 Cb 0.70 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1lm3 h LEU 94 CO 0.00 0.73 -0.03 0.11 0.09 0.00 0.00 178.44 179.34 1lm3 h LYS 95 N 0.27 0.00 -0.49 1.13 1.57 -0.82 -1.76 116.57 116.47 1lm3 h LYS 95 Ca 0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1lm3 h LYS 95 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1lm3 h LYS 95 CO 0.07 0.03 -0.16 1.15 -0.57 0.00 0.00 179.45 179.98 1lm3 h THR 96 N 0.00 1.27 -0.12 -0.16 2.02 -1.61 -0.53 112.91 113.78 1lm3 h THR 96 Ca -0.00 -1.31 -0.20 0.00 0.77 0.00 0.00 66.41 65.67 1lm3 h THR 96 Cb 0.07 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1lm3 h THR 96 CO 0.00 0.45 -0.75 0.74 0.37 0.00 0.00 175.52 176.33 1lm3 h THR 97 N 0.84 1.33 0.15 3.16 2.02 -1.42 -1.72 112.91 117.27 1lm3 h THR 97 Ca 0.12 -2.05 0.01 0.00 0.77 0.00 0.00 66.41 65.26 1lm3 h THR 97 Cb 0.71 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 1lm3 h THR 97 CO 0.05 0.63 -0.17 -0.09 0.37 0.00 0.00 175.52 176.32 1lm3 h ARG 98 N 0.41 -0.35 -0.22 6.66 2.43 -1.18 -0.22 114.38 121.92 1lm3 h ARG 98 Ca -0.04 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1lm3 h ARG 98 Cb 1.36 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 1lm3 h ARG 98 CO 0.14 -0.23 0.10 -0.91 -1.51 0.00 0.00 179.97 177.56 1lm3 h ASN 99 N -0.37 0.29 -0.57 -3.80 -0.26 -1.10 0.46 115.58 110.24 1lm3 h ASN 99 Ca 0.01 -0.13 0.02 0.00 -0.56 0.00 0.00 56.30 55.64 1lm3 h ASN 99 Cb 0.36 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.51 1lm3 h ASN 99 CO -0.06 0.34 0.35 0.00 -1.06 0.00 0.00 177.43 177.00 1lm3 h ALA 100 N 0.96 0.74 0.03 -0.83 0.00 -1.16 -1.04 119.26 117.96 1lm3 h ALA 100 Ca 0.08 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 1lm3 h ALA 100 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1lm3 h ALA 100 CO -0.01 0.09 -1.43 1.88 0.00 0.00 0.00 179.25 179.78 1lm3 h TYR 101 N 0.70 0.12 0.65 0.00 0.05 -0.98 -3.26 116.97 114.24 1lm3 h TYR 101 Ca 0.23 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 1lm3 h TYR 101 Cb 0.01 -0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.75 1lm3 h TYR 101 CO -0.06 1.11 -0.31 0.45 -1.05 0.00 0.00 178.16 178.30 1lm3 h HIS 102 N 0.02 -0.81 -0.97 4.88 3.86 0.00 0.16 115.15 122.30 1lm3 h HIS 102 Ca -0.18 -0.02 0.38 0.00 -1.16 0.00 0.00 60.37 59.39 1lm3 h HIS 102 Cb 1.93 0.27 -0.15 0.00 1.06 0.00 0.00 27.41 30.52 1lm3 h HIS 102 CO 0.02 -0.48 0.55 0.94 0.86 0.00 0.00 177.93 179.81 1lm3 n GLN 103 N -5.45 -0.05 0.07 2.45 -0.06 -0.40 0.76 117.38 114.71 1lm3 n GLN 103 Ca -0.13 1.19 0.09 0.00 -2.00 0.00 0.00 57.00 56.15 1lm3 n GLN 103 Cb 0.36 -2.19 -0.04 0.00 -4.06 0.00 0.00 30.24 24.31 1lm3 n GLN 103 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1lm3 n LYS 104 N -4.87 0.62 0.00 3.69 5.02 -0.83 -4.71 118.16 117.08 1lm3 n LYS 104 Ca 0.34 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1lm3 n LYS 104 Cb 1.20 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 1lm3 n LYS 104 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1lm3 n TYR 105 N -2.68 0.00 0.92 2.13 4.02 0.23 -5.10 117.16 116.68 1lm3 n TYR 105 Ca -0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.93 1lm3 n TYR 105 Cb 0.62 0.00 0.44 0.00 -0.02 0.00 0.00 39.34 40.38 1lm3 n TYR 105 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74