#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 5.57 0.37 0.00 -4.77 -1.26 -4.88 116.67 111.69 1lm3 s ASP 2 Ca 0.00 -0.36 0.11 0.00 -3.30 0.00 0.00 52.55 48.99 1lm3 s ASP 2 Cb 0.00 -1.10 0.58 0.00 -1.09 0.00 0.00 42.92 41.30 1lm3 s ASP 2 CO 0.00 -0.36 1.20 0.25 0.70 0.00 0.00 175.17 176.96 1lm3 h LEU 3 N 1.13 0.00 0.19 2.11 5.85 -1.95 0.90 115.31 123.53 1lm3 h LEU 3 Ca -0.45 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 57.94 1lm3 h LEU 3 Cb 1.25 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.30 1lm3 h LEU 3 CO 0.57 0.00 -1.50 -0.08 -0.34 0.00 0.00 178.44 177.09 1lm3 h GLU 4 N 0.00 0.40 0.06 1.25 4.81 -2.00 -3.22 114.58 115.89 1lm3 h GLU 4 Ca 0.00 -0.69 -0.00 0.00 -0.13 0.00 0.00 59.36 58.54 1lm3 h GLU 4 Cb 0.90 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1lm3 h GLU 4 CO 0.00 1.31 -0.03 -0.44 -0.73 0.00 0.00 179.01 179.12 1lm3 h ASP 5 N 0.11 -0.07 -0.78 1.04 3.32 0.42 -2.69 116.42 117.78 1lm3 h ASP 5 Ca -0.25 -0.55 0.13 0.00 0.02 0.00 0.00 57.03 56.38 1lm3 h ASP 5 Cb 2.09 0.02 -0.14 0.00 0.22 0.00 0.00 39.33 41.52 1lm3 h ASP 5 CO 0.22 0.63 -0.34 0.78 -1.72 0.00 0.00 179.24 178.81 1lm3 h ASN 6 N -0.89 -1.21 -0.28 6.45 2.35 -1.49 0.42 115.58 120.92 1lm3 h ASN 6 Ca -0.01 0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 1lm3 h ASN 6 Cb 0.62 0.64 -0.02 0.00 0.05 0.00 0.00 38.32 39.60 1lm3 h ASN 6 CO 0.01 -0.29 0.01 0.24 -1.65 0.00 0.00 177.43 175.75 1lm3 h MET 7 N -0.08 0.60 -0.50 0.81 2.86 -1.66 -1.00 114.93 115.96 1lm3 h MET 7 Ca 0.30 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1lm3 h MET 7 Cb 0.58 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1lm3 h MET 7 CO -0.82 0.61 0.31 1.49 1.06 0.00 0.00 176.91 179.56 1lm3 h GLU 8 N 0.57 0.61 -0.27 1.72 4.81 -0.13 0.17 114.58 122.07 1lm3 h GLU 8 Ca 0.12 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1lm3 h GLU 8 Cb 0.34 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1lm3 h GLU 8 CO 0.01 0.41 0.08 1.15 -0.73 0.00 0.00 179.01 179.93 1lm3 h THR 9 N 0.63 1.12 0.02 0.32 2.02 0.63 0.12 112.91 117.77 1lm3 h THR 9 Ca 0.19 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1lm3 h THR 9 Cb -0.03 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1lm3 h THR 9 CO -0.07 0.15 -0.01 -0.07 0.37 0.00 0.00 175.52 175.89 1lm3 h LEU 10 N 0.38 -0.03 -0.87 2.58 3.38 0.00 -2.33 115.31 118.42 1lm3 h LEU 10 Ca 0.09 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 1lm3 h LEU 10 Cb 0.12 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1lm3 h LEU 10 CO -0.01 0.78 0.50 -1.13 0.09 0.00 0.00 178.44 178.67 1lm3 h ASN 11 N -0.89 1.07 0.24 -0.43 -1.24 -0.63 0.20 115.58 113.90 1lm3 h ASN 11 Ca -0.00 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 56.91 1lm3 h ASN 11 Cb 0.75 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1lm3 h ASN 11 CO 0.00 0.84 -0.12 0.44 -1.29 0.00 0.00 177.43 177.30 1lm3 h ASP 12 N 1.21 -0.28 -0.89 1.15 3.45 -0.86 -3.13 116.42 117.06 1lm3 h ASP 12 Ca 0.31 0.01 0.10 0.00 0.43 0.00 0.00 57.03 57.88 1lm3 h ASP 12 Cb -0.01 0.07 -0.06 0.00 -0.56 0.00 0.00 39.33 38.76 1lm3 h ASP 12 CO -0.05 -0.20 0.57 0.78 -1.57 0.00 0.00 179.24 178.77 1lm3 h ASN 13 N -0.33 0.79 -0.41 6.45 4.21 -1.37 -2.44 115.58 122.48 1lm3 h ASN 13 Ca -0.03 0.02 0.06 0.00 1.21 0.00 0.00 56.30 57.56 1lm3 h ASN 13 Cb 0.25 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 37.26 1lm3 h ASN 13 CO 0.06 0.46 0.10 0.25 -1.29 0.00 0.00 177.43 177.01 1lm3 h LEU 14 N 0.87 0.05 -1.12 1.61 5.85 -0.64 -1.12 115.31 120.81 1lm3 h LEU 14 Ca 0.41 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.19 1lm3 h LEU 14 Cb 0.42 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1lm3 h LEU 14 CO -0.18 0.06 0.49 0.11 -0.34 0.00 0.00 178.44 178.59 1lm3 h LYS 15 N 0.24 1.09 -0.72 1.25 1.57 -1.39 -2.19 116.57 116.42 1lm3 h LYS 15 Ca 0.20 -0.09 0.14 0.00 -1.87 0.00 0.00 60.65 59.02 1lm3 h LYS 15 Cb 0.22 -0.23 -0.10 0.00 0.08 0.00 0.00 32.23 32.20 1lm3 h LYS 15 CO -0.24 0.76 0.24 0.28 -0.57 0.00 0.00 179.45 179.92 1lm3 h VAL 16 N 1.11 0.62 -0.50 0.50 2.07 -1.02 0.39 116.25 119.43 1lm3 h VAL 16 Ca 0.29 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1lm3 h VAL 16 Cb -0.05 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1lm3 h VAL 16 CO -0.06 0.07 0.28 0.40 0.02 0.00 0.00 177.57 178.28 1lm3 h ILE 17 N 0.37 1.15 -0.38 4.57 2.04 -0.93 -1.35 117.51 122.98 1lm3 h ILE 17 Ca 0.39 -0.37 -0.16 0.00 1.00 0.00 0.00 64.86 65.72 1lm3 h ILE 17 Cb 0.62 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1lm3 h ILE 17 CO -0.43 0.16 -0.39 -0.33 0.00 0.00 0.00 178.15 177.16 1lm3 h GLU 18 N 0.69 0.93 0.00 2.37 5.08 -0.82 -3.18 114.58 119.65 1lm3 h GLU 18 Ca 0.18 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1lm3 h GLU 18 Cb 0.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1lm3 h GLU 18 CO -0.03 1.15 -0.34 1.63 -1.00 0.00 0.00 179.01 180.42 1lm3 n LYS 19 N -4.06 0.23 -1.30 2.33 4.76 -0.98 -4.91 118.16 114.24 1lm3 n LYS 19 Ca -0.02 0.12 -0.33 0.00 -2.87 0.00 0.00 58.31 55.20 1lm3 n LYS 19 Cb 0.55 -1.70 0.10 0.00 -1.84 0.00 0.00 35.03 32.14 1lm3 n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lm3 s ALA 20 N -3.12 2.05 0.00 7.82 0.00 -0.52 -4.97 121.76 123.01 1lm3 s ALA 20 Ca 0.09 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1lm3 s ALA 20 Cb 0.14 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1lm3 s ALA 20 CO 0.66 -1.97 0.06 -0.40 0.00 0.00 0.00 175.76 174.11 1lm3 n ASP 21 N -3.11 0.13 -4.06 0.00 3.85 -1.26 -5.02 116.55 107.07 1lm3 n ASP 21 Ca 0.12 -0.53 -0.13 0.00 -0.71 0.00 0.00 54.79 53.55 1lm3 n ASP 21 Cb 0.51 0.78 -0.11 0.00 -1.35 0.00 0.00 41.12 40.95 1lm3 n ASP 21 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1lm3 s ASN 22 N -0.78 0.81 0.19 -1.12 2.20 -1.26 -5.03 114.94 109.96 1lm3 s ASN 22 Ca 0.00 -0.57 -0.23 0.00 -0.94 0.00 0.00 52.86 51.12 1lm3 s ASN 22 Cb 0.00 0.05 0.11 0.00 -2.00 0.00 0.00 41.25 39.40 1lm3 s ASN 22 CO 0.00 -0.23 1.56 0.00 -2.94 0.00 0.00 177.10 175.49 1lm3 h ALA 23 N 4.44 -0.14 -1.00 3.54 0.00 -1.90 -2.64 119.26 121.56 1lm3 h ALA 23 Ca -0.35 0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.89 1lm3 h ALA 23 Cb 1.20 1.05 -0.15 0.00 0.00 0.00 0.00 17.79 19.89 1lm3 h ALA 23 CO 0.42 -0.76 -0.42 0.00 0.00 0.00 0.00 179.25 178.49 1lm3 n ALA 24 N -3.30 -0.21 -0.20 0.00 0.00 -1.26 -0.37 120.51 115.16 1lm3 n ALA 24 Ca 0.05 0.97 -0.02 0.00 0.00 0.00 0.00 53.44 54.45 1lm3 n ALA 24 Cb 0.35 -0.39 0.09 0.00 0.00 0.00 0.00 19.45 19.50 1lm3 n ALA 24 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1lm3 h GLN 25 N 0.00 0.53 0.14 0.00 4.20 -1.91 -2.04 115.11 116.03 1lm3 h GLN 25 Ca 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1lm3 h GLN 25 Cb 0.57 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1lm3 h GLN 25 CO -0.98 0.35 -0.13 0.28 -0.67 0.00 0.00 178.83 177.67 1lm3 h VAL 26 N 0.55 0.70 -0.46 -0.54 2.07 -0.70 -1.40 116.25 116.46 1lm3 h VAL 26 Ca 0.28 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.85 1lm3 h VAL 26 Cb 0.23 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1lm3 h VAL 26 CO -0.21 0.00 0.20 0.50 0.02 0.00 0.00 177.57 178.08 1lm3 h LYS 27 N -0.30 0.39 -0.73 1.57 3.64 -0.82 0.69 116.57 121.02 1lm3 h LYS 27 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1lm3 h LYS 27 Cb 0.28 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1lm3 h LYS 27 CO -0.03 0.26 0.37 -0.44 -2.27 0.00 0.00 179.45 177.34 1lm3 h ASP 28 N 0.40 0.94 0.35 4.20 3.32 -1.24 0.79 116.42 125.18 1lm3 h ASP 28 Ca 0.21 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1lm3 h ASP 28 Cb 0.16 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1lm3 h ASP 28 CO -0.18 0.80 -0.17 0.00 -1.72 0.00 0.00 179.24 177.97 1lm3 h ALA 29 N 1.18 -0.47 -0.81 3.45 0.00 -0.75 -1.98 119.26 119.88 1lm3 h ALA 29 Ca 0.25 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1lm3 h ALA 29 Cb 0.09 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1lm3 h ALA 29 CO -0.03 -0.69 0.44 -0.07 0.00 0.00 0.00 179.25 178.90 1lm3 h LEU 30 N -0.62 0.61 -0.32 0.00 3.38 -0.66 0.13 115.31 117.82 1lm3 h LEU 30 Ca -0.05 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1lm3 h LEU 30 Cb 0.45 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1lm3 h LEU 30 CO 0.08 0.33 0.17 0.74 0.09 0.00 0.00 178.44 179.84 1lm3 h THR 31 N 0.72 1.00 -0.37 0.22 2.02 -0.72 0.44 112.91 116.23 1lm3 h THR 31 Ca 0.41 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 1lm3 h THR 31 Cb 0.44 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1lm3 h THR 31 CO -0.28 0.06 0.21 0.11 0.37 0.00 0.00 175.52 175.99 1lm3 h LYS 32 N 0.35 0.51 -0.15 6.66 1.57 -0.38 -2.89 116.57 122.23 1lm3 h LYS 32 Ca 0.13 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1lm3 h LYS 32 Cb 0.03 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1lm3 h LYS 32 CO -0.08 0.41 -0.10 0.52 -0.57 0.00 0.00 179.45 179.63 1lm3 h MET 33 N 0.47 -0.09 -1.01 3.15 2.86 -0.07 -1.78 114.93 118.46 1lm3 h MET 33 Ca 0.13 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 58.01 1lm3 h MET 33 Cb 0.04 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.61 1lm3 h MET 33 CO -0.02 -0.06 0.62 -0.09 1.06 0.00 0.00 176.91 178.42 1lm3 h ARG 34 N -0.09 0.58 0.73 1.72 2.43 0.05 -1.45 114.38 118.35 1lm3 h ARG 34 Ca 0.09 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1lm3 h ARG 34 Cb 0.23 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1lm3 h ARG 34 CO -0.21 0.38 -0.35 0.00 -1.51 0.00 0.00 179.97 178.28 1lm3 h ALA 35 N 1.68 -1.13 -0.92 2.80 0.00 -1.15 -2.80 119.26 117.73 1lm3 h ALA 35 Ca 0.61 -0.22 0.26 0.00 0.00 0.00 0.00 54.91 55.56 1lm3 h ALA 35 Cb 1.18 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 19.19 1lm3 h ALA 35 CO -0.40 -1.06 0.19 0.00 0.00 0.00 0.00 179.25 177.98 1lm3 h ALA 36 N -1.44 1.30 0.59 0.00 0.00 -0.91 -1.55 119.26 117.26 1lm3 h ALA 36 Ca -0.10 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1lm3 h ALA 36 Cb 0.76 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1lm3 h ALA 36 CO 0.17 -0.55 -0.36 0.00 0.00 0.00 0.00 179.25 178.51 1lm3 h ALA 37 N 1.86 -1.18 -0.83 0.00 0.00 -1.22 0.16 119.26 118.04 1lm3 h ALA 37 Ca 0.59 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.56 1lm3 h ALA 37 Cb 1.24 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1lm3 h ALA 37 CO -0.75 -1.15 0.77 -0.07 0.00 0.00 0.00 179.25 178.05 1lm3 h LEU 38 N -0.89 0.00 0.03 0.00 3.38 -1.05 0.57 115.31 117.35 1lm3 h LEU 38 Ca -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1lm3 h LEU 38 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1lm3 h LEU 38 CO 0.08 0.00 -0.19 -0.78 0.09 0.00 0.00 178.44 177.64 1lm3 h ASP 39 N 0.00 0.12 -0.21 -0.43 3.58 -0.54 -3.19 116.42 115.76 1lm3 h ASP 39 Ca 0.40 -0.94 -0.01 0.00 0.42 0.00 0.00 57.03 56.89 1lm3 h ASP 39 Cb 1.92 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.92 1lm3 h ASP 39 CO -0.00 1.05 0.09 0.00 -2.88 0.00 0.00 179.24 177.50 1lm3 h ALA 40 N 0.07 1.69 0.00 -0.78 0.00 0.13 -1.79 119.26 118.57 1lm3 h ALA 40 Ca -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1lm3 h ALA 40 Cb 1.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1lm3 h ALA 40 CO 0.04 0.25 -0.21 0.37 0.00 0.00 0.00 179.25 179.70 1lm3 h GLN 41 N 0.36 0.00 -0.00 0.00 4.15 -1.05 -2.65 115.11 115.92 1lm3 h GLN 41 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1lm3 h GLN 41 Cb 0.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1lm3 h GLN 41 CO -0.01 0.21 -0.20 1.63 -1.93 0.00 0.00 178.83 178.53 1lm3 n LYS 42 N -4.16 0.13 -3.68 1.69 5.02 -0.68 -4.89 118.16 111.60 1lm3 n LYS 42 Ca -0.02 -0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 56.02 1lm3 n LYS 42 Cb 0.27 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.90 4.05 -0.28 7.82 0.00 -1.00 -5.10 121.76 124.37 1lm3 s ALA 43 Ca 0.16 -1.45 -0.09 0.00 0.00 0.00 0.00 51.96 50.58 1lm3 s ALA 43 Cb 0.19 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 1lm3 s ALA 43 CO 0.58 0.05 0.12 0.99 0.00 0.00 0.00 175.76 177.50 1lm3 s THR 44 N -2.16 4.58 0.50 0.00 2.01 -1.26 -5.01 115.64 114.30 1lm3 s THR 44 Ca 0.41 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.99 1lm3 s THR 44 Cb -0.09 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.15 1lm3 s THR 44 CO 0.29 0.23 1.23 -2.16 -0.69 0.00 0.00 174.62 173.53 1lm3 s PRO 45 N 1.64 3.47 0.16 4.92 0.04 -1.26 -4.77 135.00 139.20 1lm3 s PRO 45 Ca 0.06 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 1lm3 s PRO 45 Cb -0.16 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.10 1lm3 s PRO 45 CO 0.06 -0.83 1.58 -1.35 0.04 0.00 0.00 177.00 176.49 1lm3 h PRO 46 N 1.73 -0.29 0.00 0.56 0.11 -1.98 0.36 132.00 132.49 1lm3 h PRO 46 Ca -0.50 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1lm3 h PRO 46 Cb 1.27 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1lm3 h PRO 46 CO 0.59 -0.19 0.13 1.63 -0.21 0.00 0.00 178.00 179.94 1lm3 n LYS 47 N -5.42 0.00 0.00 1.05 5.02 -1.26 -0.90 118.16 116.65 1lm3 n LYS 47 Ca 0.00 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1lm3 n LYS 47 Cb 0.35 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1lm3 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1lm3 n LEU 48 N -1.08 0.82 -0.03 -0.35 4.77 0.12 -4.93 117.00 116.32 1lm3 n LEU 48 Ca 0.00 -0.82 -0.03 0.00 -0.03 0.00 0.00 56.01 55.13 1lm3 n LEU 48 Cb 0.13 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1lm3 n LEU 48 CO 0.00 0.21 0.50 -0.33 -1.33 0.00 0.00 177.39 176.43 1lm3 h GLU 49 N 0.00 -0.07 -0.11 3.23 5.08 -0.28 -1.25 114.58 121.18 1lm3 h GLU 49 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1lm3 h GLU 49 Cb 0.68 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1lm3 h GLU 49 CO 0.00 -0.05 0.00 -0.25 -1.00 0.00 0.00 179.01 177.71 1lm3 n ASP 50 N -3.29 0.11 -4.94 1.42 10.43 -1.26 -4.74 116.55 114.28 1lm3 n ASP 50 Ca -0.01 -0.36 -0.21 0.00 2.57 0.00 0.00 54.79 56.78 1lm3 n ASP 50 Cb 0.07 -0.05 0.04 0.00 1.84 0.00 0.00 41.12 43.02 1lm3 n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1lm3 s LYS 51 N -1.41 2.44 -0.14 -1.24 -0.14 -0.47 -5.10 119.74 113.69 1lm3 s LYS 51 Ca 0.00 -0.89 -0.06 0.00 -1.36 0.00 0.00 55.97 53.65 1lm3 s LYS 51 Cb 0.00 -2.49 -0.04 0.00 -1.68 0.00 0.00 37.83 33.62 1lm3 s LYS 51 CO 0.00 -0.78 0.09 0.45 -0.76 0.00 0.00 175.35 174.35 1lm3 s SER 52 N -4.47 5.94 0.00 2.83 0.15 -1.26 -4.96 113.70 111.93 1lm3 s SER 52 Ca 0.58 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1lm3 s SER 52 Cb -0.10 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1lm3 s SER 52 CO 0.39 0.32 0.81 -2.65 1.20 0.00 0.00 173.24 173.32 1lm3 n PRO 53 N 2.54 0.00 -0.01 5.44 -0.02 -1.26 0.17 135.00 141.85 1lm3 n PRO 53 Ca -0.18 0.33 0.08 0.00 -2.02 0.00 0.00 63.50 61.70 1lm3 n PRO 53 Cb 0.54 -1.59 0.07 0.00 -0.02 0.00 0.00 33.50 32.50 1lm3 n PRO 53 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1lm3 n ASP 54 N -1.31 2.32 -4.76 2.55 8.00 -1.26 -4.72 116.55 117.36 1lm3 n ASP 54 Ca 0.00 -1.65 -0.39 0.00 0.71 0.00 0.00 54.79 53.46 1lm3 n ASP 54 Cb 0.09 -0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.19 1lm3 n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1lm3 s SER 55 N -1.27 5.85 0.29 -2.24 1.04 0.44 -4.87 113.70 112.94 1lm3 s SER 55 Ca 0.18 2.65 0.02 0.00 0.48 0.00 0.00 55.95 59.29 1lm3 s SER 55 Cb 0.13 -2.63 0.72 0.00 0.10 0.00 0.00 66.02 64.34 1lm3 s SER 55 CO 0.19 -1.17 1.65 -0.65 0.98 0.00 0.00 173.24 174.25 1lm3 h PRO 56 N 2.05 0.22 0.11 4.02 0.11 -1.94 -2.19 132.00 134.37 1lm3 h PRO 56 Ca -0.50 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1lm3 h PRO 56 Cb 1.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1lm3 h PRO 56 CO 0.60 0.14 -0.13 0.93 -0.21 0.00 0.00 178.00 179.33 1lm3 h GLU 57 N 0.22 -0.24 -1.44 1.05 3.07 -1.91 -2.09 114.58 113.24 1lm3 h GLU 57 Ca 0.56 0.02 0.42 0.00 -0.50 0.00 0.00 59.36 59.85 1lm3 h GLU 57 Cb 1.12 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 29.03 1lm3 h GLU 57 CO -0.64 -0.16 1.15 0.52 -1.40 0.00 0.00 179.01 178.48 1lm3 h MET 58 N -0.24 0.00 -0.07 2.33 2.86 -1.67 1.00 114.93 119.14 1lm3 h MET 58 Ca -0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 1lm3 h MET 58 Cb 0.22 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.89 1lm3 h MET 58 CO -0.03 0.00 -0.77 0.87 1.06 0.00 0.00 176.91 178.04 1lm3 h LYS 59 N 0.00 0.65 -0.26 1.72 1.57 -1.11 0.78 116.57 119.92 1lm3 h LYS 59 Ca 0.69 -0.60 -0.19 0.00 -1.87 0.00 0.00 60.65 58.67 1lm3 h LYS 59 Cb 2.97 0.15 0.00 0.00 0.08 0.00 0.00 32.23 35.43 1lm3 h LYS 59 CO -0.01 1.21 -0.59 0.22 -0.57 0.00 0.00 179.45 179.72 1lm3 h ASP 60 N 0.30 0.97 -0.19 0.86 3.58 0.15 -0.67 116.42 121.42 1lm3 h ASP 60 Ca -0.08 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 56.81 1lm3 h ASP 60 Cb 1.43 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1lm3 h ASP 60 CO 0.16 1.34 0.08 -0.29 -2.88 0.00 0.00 179.24 177.65 1lm3 h ILE 61 N 0.64 1.15 -0.49 2.25 6.09 -0.62 -0.38 117.51 126.16 1lm3 h ILE 61 Ca 0.00 -0.46 0.08 0.00 -1.37 0.00 0.00 64.86 63.11 1lm3 h ILE 61 Cb 1.20 1.10 -0.07 0.00 0.47 0.00 0.00 36.82 39.52 1lm3 h ILE 61 CO 0.13 0.15 0.11 -0.09 -3.07 0.00 0.00 178.15 175.38 1lm3 h ARG 62 N 0.17 0.24 -0.13 2.19 9.65 -0.72 -2.82 114.38 122.97 1lm3 h ARG 62 Ca 0.07 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1lm3 h ARG 62 Cb 0.16 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1lm3 h ARG 62 CO -0.01 0.16 0.04 1.25 2.80 0.00 0.00 179.97 184.22 1lm3 h HIS 63 N 0.25 0.20 -0.69 2.20 2.76 -0.79 -2.96 115.15 116.12 1lm3 h HIS 63 Ca 0.24 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.46 1lm3 h HIS 63 Cb 0.31 -0.06 -0.10 0.00 1.55 0.00 0.00 27.41 29.11 1lm3 h HIS 63 CO -0.21 0.31 -0.57 0.78 -1.30 0.00 0.00 177.93 176.94 1lm3 h GLY 64 N 0.03 -0.90 -0.09 5.26 0.00 -0.82 0.48 103.07 107.03 1lm3 h GLY 64 Ca 0.04 0.75 0.19 0.00 0.00 0.00 0.00 47.33 48.31 1lm3 h GLY 64 CO -0.00 -0.04 0.36 -0.97 0.00 0.00 0.00 176.54 175.88 1lm3 h TYR 65 N -0.21 0.60 -0.79 5.60 0.05 -1.52 0.49 116.97 121.19 1lm3 h TYR 65 Ca 0.12 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1lm3 h TYR 65 Cb 0.51 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 1lm3 h TYR 65 CO -0.87 -0.01 0.51 -0.44 -1.05 0.00 0.00 178.16 176.30 1lm3 h ASP 66 N 0.42 0.92 0.11 3.88 3.32 0.00 0.49 116.42 125.56 1lm3 h ASP 66 Ca 0.51 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.52 1lm3 h ASP 66 Cb 0.91 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1lm3 h ASP 66 CO -0.49 0.68 -0.05 0.40 -1.72 0.00 0.00 179.24 178.05 1lm3 h ILE 67 N 1.08 1.02 -0.30 0.35 2.04 0.23 -1.79 117.51 120.13 1lm3 h ILE 67 Ca 0.29 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1lm3 h ILE 67 Cb -0.10 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1lm3 h ILE 67 CO -0.06 0.12 0.09 0.25 0.00 0.00 0.00 178.15 178.56 1lm3 h LEU 68 N -0.38 0.09 -0.96 1.44 5.85 -0.20 -0.56 115.31 120.58 1lm3 h LEU 68 Ca -0.02 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1lm3 h LEU 68 Cb 0.31 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1lm3 h LEU 68 CO 0.02 0.09 0.64 0.58 -0.34 0.00 0.00 178.44 179.43 1lm3 h VAL 69 N 0.22 1.23 -0.63 1.05 2.07 -0.00 0.81 116.25 121.00 1lm3 h VAL 69 Ca 0.14 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1lm3 h VAL 69 Cb 0.11 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.69 1lm3 h VAL 69 CO -0.15 0.23 0.18 1.23 0.02 0.00 0.00 177.57 179.09 1lm3 h GLY 70 N 1.29 1.04 1.34 2.17 0.00 -0.64 0.05 103.07 108.32 1lm3 h GLY 70 Ca 0.36 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1lm3 h GLY 70 CO -0.09 0.56 -0.30 1.46 0.00 0.00 0.00 176.54 178.18 1lm3 h GLN 71 N 0.93 0.75 -0.29 4.80 4.20 0.15 -0.30 115.11 125.35 1lm3 h GLN 71 Ca 0.21 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 1lm3 h GLN 71 Cb 0.29 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1lm3 h GLN 71 CO -0.01 0.95 -0.26 0.82 -0.67 0.00 0.00 178.83 179.67 1lm3 h ILE 72 N 0.64 1.27 -0.26 2.54 2.04 -0.57 -1.77 117.51 121.39 1lm3 h ILE 72 Ca 0.07 -1.33 -0.14 0.00 1.00 0.00 0.00 64.86 64.46 1lm3 h ILE 72 Cb 0.82 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1lm3 h ILE 72 CO 0.07 0.43 -0.43 0.44 0.00 0.00 0.00 178.15 178.66 1lm3 h ASP 73 N 0.51 0.70 0.60 1.72 3.32 -0.62 0.55 116.42 123.19 1lm3 h ASP 73 Ca 0.07 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 56.67 1lm3 h ASP 73 Cb 0.72 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1lm3 h ASP 73 CO 0.06 1.03 -0.61 0.44 -1.72 0.00 0.00 179.24 178.44 1lm3 h ASP 74 N 0.53 0.02 1.00 6.45 3.32 -0.78 -1.16 116.42 125.79 1lm3 h ASP 74 Ca 0.04 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 1lm3 h ASP 74 Cb 0.96 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1lm3 h ASP 74 CO 0.09 0.62 -1.07 0.00 -1.72 0.00 0.00 179.24 177.16 1lm3 h ALA 75 N 1.38 0.62 -0.32 3.45 0.00 -1.26 -3.06 119.26 120.06 1lm3 h ALA 75 Ca -0.01 -0.79 -0.14 0.00 0.00 0.00 0.00 54.91 53.97 1lm3 h ALA 75 Cb 1.08 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1lm3 h ALA 75 CO 0.08 0.95 -0.36 1.25 0.00 0.00 0.00 179.25 181.17 1lm3 h LEU 76 N 0.00 0.88 -0.45 0.00 5.85 -0.63 -2.29 115.31 118.67 1lm3 h LEU 76 Ca -0.10 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 1lm3 h LEU 76 Cb 1.59 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1lm3 h LEU 76 CO 0.07 1.18 0.17 0.50 -0.34 0.00 0.00 178.44 180.02 1lm3 h LYS 77 N 0.59 0.67 -0.80 1.25 3.64 -1.30 -1.79 116.57 118.84 1lm3 h LYS 77 Ca 0.05 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1lm3 h LYS 77 Cb 0.95 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 1lm3 h LYS 77 CO 0.09 0.62 0.53 -0.07 -2.27 0.00 0.00 179.45 178.34 1lm3 h LEU 78 N 0.58 0.87 -1.05 5.20 3.38 -1.45 -1.29 115.31 121.55 1lm3 h LEU 78 Ca 0.15 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1lm3 h LEU 78 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1lm3 h LEU 78 CO -0.01 0.61 -0.40 0.00 0.09 0.00 0.00 178.44 178.73 1lm3 h ALA 79 N 1.52 1.09 -0.00 1.53 0.00 -1.01 -1.08 119.26 121.31 1lm3 h ALA 79 Ca 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1lm3 h ALA 79 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1lm3 h ALA 79 CO -0.08 0.50 -0.00 -1.71 0.00 0.00 0.00 179.25 177.95 1lm3 n ASN 80 N -3.70 0.02 -0.35 0.00 5.15 -0.53 -1.93 115.26 113.92 1lm3 n ASN 80 Ca -0.01 -0.67 0.04 0.00 -0.60 0.00 0.00 54.58 53.34 1lm3 n ASN 80 Cb 0.49 -0.11 0.10 0.00 -0.53 0.00 0.00 39.78 39.72 1lm3 n ASN 80 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1lm3 n GLU 81 N -1.10 2.82 -1.25 1.20 1.02 -0.51 -4.99 120.64 117.82 1lm3 n GLU 81 Ca 0.20 -1.92 -0.09 0.00 -0.02 0.00 0.00 57.16 55.34 1lm3 n GLU 81 Cb 0.16 -1.22 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.12 0.99 2.31 0.62 0.00 -0.81 -4.92 105.19 103.25 1lm3 n GLY 82 Ca 0.08 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.89 2.71 -0.21 1.61 4.01 -0.60 -4.79 118.16 119.00 1lm3 n LYS 83 Ca -0.09 -2.04 0.20 0.00 -0.51 0.00 0.00 58.31 55.87 1lm3 n LYS 83 Cb 0.39 -2.23 0.38 0.00 -0.51 0.00 0.00 35.03 33.06 1lm3 n LYS 83 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1lm3 n VAL 84 N 1.80 -0.27 -0.06 -0.18 0.31 -1.26 0.22 118.33 118.89 1lm3 n VAL 84 Ca 0.52 1.31 -0.14 0.00 -0.01 0.00 0.00 64.34 66.01 1lm3 n VAL 84 Cb 0.60 -2.12 -0.12 0.00 -0.91 0.00 0.00 33.84 31.28 1lm3 n VAL 84 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1lm3 h LYS 85 N 0.00 0.02 -0.33 5.55 1.79 -1.96 -1.87 116.57 119.76 1lm3 h LYS 85 Ca 0.55 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 59.01 1lm3 h LYS 85 Cb 1.44 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 32.08 1lm3 h LYS 85 CO -0.50 0.92 0.22 0.93 -1.08 0.00 0.00 179.45 179.95 1lm3 h GLU 86 N -0.88 0.39 0.53 3.15 3.07 -0.63 0.20 114.58 120.40 1lm3 h GLU 86 Ca -0.01 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1lm3 h GLU 86 Cb 0.94 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.77 1lm3 h GLU 86 CO 0.01 0.26 -0.25 0.00 -1.40 0.00 0.00 179.01 177.62 1lm3 h ALA 87 N 1.80 -0.83 -0.58 3.43 0.00 -0.43 -1.57 119.26 121.07 1lm3 h ALA 87 Ca 0.13 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1lm3 h ALA 87 Cb 0.03 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 1lm3 h ALA 87 CO -0.03 -0.78 -0.12 1.96 0.00 0.00 0.00 179.25 180.28 1lm3 h GLN 88 N -1.00 0.02 -0.64 0.00 4.20 -0.91 0.68 115.11 117.46 1lm3 h GLN 88 Ca -0.07 -0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.77 1lm3 h GLN 88 Cb 0.54 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.21 1lm3 h GLN 88 CO 0.12 0.01 -0.01 0.00 -0.67 0.00 0.00 178.83 178.28 1lm3 h ALA 89 N 1.57 0.62 -0.32 3.87 0.00 -0.60 0.11 119.26 124.51 1lm3 h ALA 89 Ca 0.29 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1lm3 h ALA 89 Cb 0.44 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1lm3 h ALA 89 CO -0.58 -0.40 0.21 0.00 0.00 0.00 0.00 179.25 178.48 1lm3 h ALA 90 N 1.59 0.41 -1.02 0.00 0.00 0.11 -2.08 119.26 118.26 1lm3 h ALA 90 Ca 0.33 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.46 1lm3 h ALA 90 Cb 0.55 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 1lm3 h ALA 90 CO -0.56 -0.12 0.64 0.00 0.00 0.00 0.00 179.25 179.21 1lm3 h ALA 91 N 1.11 2.01 -0.89 0.00 0.00 0.95 0.33 119.26 122.78 1lm3 h ALA 91 Ca 0.12 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.27 1lm3 h ALA 91 Cb -0.04 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1lm3 h ALA 91 CO -0.02 -0.44 0.57 0.93 0.00 0.00 0.00 179.25 180.29 1lm3 h GLU 92 N 0.50 0.60 0.00 0.00 4.39 -0.60 0.94 114.58 120.43 1lm3 h GLU 92 Ca 0.61 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.27 1lm3 h GLU 92 Cb 1.33 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1lm3 h GLU 92 CO -0.37 0.40 0.00 1.96 -1.16 0.00 0.00 179.01 179.84 1lm3 h GLN 93 N 0.62 0.00 -0.50 2.33 1.08 -0.38 -2.27 115.11 115.99 1lm3 h GLN 93 Ca 0.45 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.58 1lm3 h GLN 93 Cb 0.82 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 1lm3 h GLN 93 CO -0.20 0.00 0.02 -0.07 -0.95 0.00 0.00 178.83 177.62 1lm3 h LEU 94 N 0.00 0.85 -0.41 1.46 3.38 -0.90 -3.01 115.31 116.68 1lm3 h LEU 94 Ca 0.00 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1lm3 h LEU 94 Cb 0.07 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1lm3 h LEU 94 CO 0.00 0.94 -0.01 0.11 0.09 0.00 0.00 178.44 179.57 1lm3 h LYS 95 N 0.74 0.09 -0.72 1.13 1.57 -1.55 -0.27 116.57 117.55 1lm3 h LYS 95 Ca 0.14 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.07 1lm3 h LYS 95 Cb 0.49 -0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.65 1lm3 h LYS 95 CO 0.02 0.06 -0.10 1.15 -0.57 0.00 0.00 179.45 180.02 1lm3 h THR 96 N 0.09 0.32 0.00 -0.16 2.02 -1.65 0.60 112.91 114.13 1lm3 h THR 96 Ca 0.20 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 1lm3 h THR 96 Cb 0.29 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1lm3 h THR 96 CO -0.35 0.01 -0.17 0.74 0.37 0.00 0.00 175.52 176.12 1lm3 h THR 97 N 0.04 0.85 0.01 3.16 2.02 -1.08 -2.66 112.91 115.25 1lm3 h THR 97 Ca 0.37 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1lm3 h THR 97 Cb 0.61 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1lm3 h THR 97 CO -0.70 0.17 -0.01 -0.09 0.37 0.00 0.00 175.52 175.27 1lm3 h ARG 98 N 0.00 -0.01 -0.99 6.66 2.43 0.13 -3.06 114.38 119.54 1lm3 h ARG 98 Ca -0.00 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.40 1lm3 h ARG 98 Cb 0.36 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.83 1lm3 h ARG 98 CO 0.02 0.55 0.64 -0.91 -1.51 0.00 0.00 179.97 178.76 1lm3 h ASN 99 N -0.99 0.49 -0.05 -3.80 -0.26 -0.81 0.24 115.58 110.40 1lm3 h ASN 99 Ca -0.00 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1lm3 h ASN 99 Cb 0.57 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1lm3 h ASN 99 CO 0.00 0.15 -0.02 0.00 -1.06 0.00 0.00 177.43 176.50 1lm3 h ALA 100 N 1.62 0.06 0.00 -0.83 0.00 -1.56 -2.69 119.26 115.86 1lm3 h ALA 100 Ca 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1lm3 h ALA 100 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1lm3 h ALA 100 CO -0.27 -0.19 -0.42 1.88 0.00 0.00 0.00 179.25 180.25 1lm3 h TYR 101 N -0.30 0.00 -0.11 0.00 0.05 -1.32 -3.22 116.97 112.07 1lm3 h TYR 101 Ca 0.01 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.61 1lm3 h TYR 101 Cb 0.46 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1lm3 h TYR 101 CO 0.07 0.00 -0.67 0.45 -1.05 0.00 0.00 178.16 176.96 1lm3 h HIS 102 N 0.00 0.59 -0.48 4.88 3.86 -0.60 0.33 115.15 123.73 1lm3 h HIS 102 Ca 0.00 -0.24 0.03 0.00 -1.16 0.00 0.00 60.37 59.00 1lm3 h HIS 102 Cb 0.94 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.27 1lm3 h HIS 102 CO 0.00 0.98 0.26 0.37 0.86 0.00 0.00 177.93 180.40 1lm3 h GLN 103 N 0.32 0.50 0.07 2.45 5.75 -1.49 0.63 115.11 123.35 1lm3 h GLN 103 Ca -0.02 -0.03 -0.27 0.00 -0.15 0.00 0.00 58.65 58.18 1lm3 h GLN 103 Cb 1.23 -0.11 0.02 0.00 1.07 0.00 0.00 27.48 29.69 1lm3 h GLN 103 CO 0.12 0.33 -1.14 0.87 -2.65 0.00 0.00 178.83 176.35 1lm3 h LYS 104 N 0.52 0.55 0.00 1.69 6.56 -1.58 -3.40 116.57 120.91 1lm3 h LYS 104 Ca 0.20 -0.69 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1lm3 h LYS 104 Cb 0.07 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1lm3 h LYS 104 CO -0.12 1.29 0.00 0.66 -2.06 0.00 0.00 179.45 179.22 1lm3 n TYR 105 N -3.76 0.00 1.40 -1.35 4.02 0.09 -5.12 117.16 112.44 1lm3 n TYR 105 Ca -0.11 -0.27 0.14 0.00 -0.01 0.00 0.00 57.90 57.64 1lm3 n TYR 105 Cb 0.94 -0.03 0.44 0.00 -0.02 0.00 0.00 39.34 40.67 1lm3 n TYR 105 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74