#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm4 n SER -9 N 0.00 3.25 -4.84 1.61 7.64 -1.18 -0.47 113.62 119.63 1lm4 n SER -9 Ca 0.00 1.10 -0.31 0.00 1.01 0.00 0.00 58.87 60.67 1lm4 n SER -9 Cb 0.00 -1.47 0.02 0.00 -1.01 0.00 0.00 64.21 61.75 1lm4 n SER -9 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1lm4 s ASP -8 N 0.72 5.90 -0.10 6.43 1.47 -1.26 -0.83 116.67 129.00 1lm4 s ASP -8 Ca 0.73 1.55 -0.26 0.00 1.18 0.00 0.00 52.55 55.75 1lm4 s ASP -8 Cb -0.62 -2.49 -0.02 0.00 -0.34 0.00 0.00 42.92 39.45 1lm4 s ASP -8 CO 0.42 -1.09 0.84 -0.75 0.68 0.00 0.00 175.17 175.27 1lm4 s LYS -7 N -4.91 4.40 0.00 2.11 2.20 -0.46 -4.42 119.74 118.66 1lm4 s LYS -7 Ca 0.57 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 1lm4 s LYS -7 Cb -0.13 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1lm4 s LYS -7 CO 0.50 -0.16 0.57 0.44 -0.36 0.00 0.00 175.35 176.34 1lm4 n ILE -6 N 4.29 0.28 -0.03 5.43 -5.35 -1.26 -4.94 119.36 117.78 1lm4 n ILE -6 Ca 0.04 -0.52 -0.04 0.00 -0.27 0.00 0.00 62.75 61.96 1lm4 n ILE -6 Cb 0.50 1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 39.37 1lm4 n ILE -6 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1lm4 n HIS -5 N -0.14 0.00 0.00 4.28 8.25 -1.26 -5.25 115.22 121.10 1lm4 n HIS -5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1lm4 n HIS -5 Cb 0.15 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1lm4 n HIS -5 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1lm4 n HIS 0 N -2.48 0.00 -2.37 4.41 -0.00 -1.26 -5.12 115.22 108.40 1lm4 n HIS 0 Ca -0.11 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.18 1lm4 n HIS 0 Cb 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.62 1lm4 n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1lm4 s MET 1 N 0.00 4.26 0.34 1.57 1.75 -1.26 -4.98 119.30 120.97 1lm4 s MET 1 Ca 0.00 1.75 -0.28 0.00 -1.25 0.00 0.00 55.69 55.91 1lm4 s MET 1 Cb 0.00 -3.72 -0.10 0.00 2.84 0.00 0.00 34.83 33.85 1lm4 s MET 1 CO 0.00 -0.65 1.21 -0.51 -0.65 0.00 0.00 175.02 174.42 1lm4 s LEU 2 N 3.15 4.40 0.42 4.11 1.43 -1.26 -5.04 118.68 125.89 1lm4 s LEU 2 Ca 0.58 2.47 0.04 0.00 -1.03 0.00 0.00 54.13 56.18 1lm4 s LEU 2 Cb -0.24 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 1lm4 s LEU 2 CO 0.19 -0.46 0.05 0.42 0.23 0.00 0.00 176.35 176.78 1lm4 s THR 3 N -1.22 1.19 0.44 5.49 -4.23 -1.26 -4.89 115.64 111.16 1lm4 s THR 3 Ca 0.50 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.14 1lm4 s THR 3 Cb -0.35 -2.54 0.31 0.00 1.34 0.00 0.00 72.50 71.26 1lm4 s THR 3 CO 0.45 0.00 2.01 0.24 -0.54 0.00 0.00 174.62 176.79 1lm4 h MET 4 N 1.74 0.36 0.00 3.99 0.00 -1.86 0.11 114.93 119.27 1lm4 h MET 4 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 59.70 59.27 1lm4 h MET 4 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 31.60 32.79 1lm4 h MET 4 CO 0.70 0.24 0.00 0.87 0.00 0.00 0.00 176.91 178.72 1lm4 h LYS 5 N 0.37 0.00 0.00 1.72 1.57 -1.97 -1.38 116.57 116.88 1lm4 h LYS 5 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1lm4 h LYS 5 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1lm4 h LYS 5 CO -0.05 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 178.39 1lm4 h ASP 6 N 0.00 0.00 -3.59 0.86 3.32 -1.36 -3.41 116.42 112.24 1lm4 h ASP 6 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1lm4 h ASP 6 Cb 0.40 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.81 1lm4 h ASP 6 CO 0.00 0.00 0.10 -0.63 -1.72 0.00 0.00 179.24 176.99 1lm4 s ILE 7 N -3.24 4.87 0.62 0.35 1.01 -0.52 -4.35 121.20 119.94 1lm4 s ILE 7 Ca 0.07 0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.80 1lm4 s ILE 7 Cb 0.10 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1lm4 s ILE 7 CO 0.55 -0.47 1.19 0.27 0.00 0.00 0.00 174.94 176.48 1lm4 s ILE 8 N 2.72 2.69 0.12 2.92 -4.36 0.29 -4.94 121.20 120.63 1lm4 s ILE 8 Ca 0.22 0.40 0.02 0.00 -0.26 0.00 0.00 60.65 61.03 1lm4 s ILE 8 Cb -0.14 -3.08 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 1lm4 s ILE 8 CO 0.17 -0.12 0.24 -0.13 0.24 0.00 0.00 174.94 175.34 1lm4 s ARG 9 N -3.52 3.37 0.21 0.37 1.81 -1.26 -4.52 118.95 115.41 1lm4 s ARG 9 Ca 0.75 -0.57 -0.32 0.00 -1.72 0.00 0.00 55.73 53.88 1lm4 s ARG 9 Cb -0.28 -2.96 -0.15 0.00 -0.45 0.00 0.00 34.95 31.11 1lm4 s ARG 9 CO 0.36 0.55 1.17 -3.47 -0.68 0.00 0.00 175.30 173.23 1lm4 n ASP 10 N -0.20 1.58 0.00 0.23 2.03 0.42 -0.95 116.55 119.66 1lm4 n ASP 10 Ca -0.06 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.39 1lm4 n ASP 10 Cb 0.53 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1lm4 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lm4 n GLY 11 N 1.89 1.95 3.72 0.27 0.00 -1.26 -5.05 105.19 106.71 1lm4 n GLY 11 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1lm4 n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lm4 s HIS 12 N -1.98 3.28 0.43 1.61 5.65 -0.12 -4.90 115.29 119.25 1lm4 s HIS 12 Ca 0.00 1.10 0.16 0.00 0.25 0.00 0.00 55.06 56.57 1lm4 s HIS 12 Cb 0.00 -3.61 1.05 0.00 -1.18 0.00 0.00 32.58 28.84 1lm4 s HIS 12 CO 0.00 -2.03 1.91 -1.35 -0.65 0.00 0.00 174.74 172.62 1lm4 h PRO 13 N 6.26 0.41 0.00 2.88 0.11 -1.98 -2.14 132.00 137.54 1lm4 h PRO 13 Ca -0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1lm4 h PRO 13 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1lm4 h PRO 13 CO 0.82 0.27 -0.07 1.15 -0.21 0.00 0.00 178.00 179.96 1lm4 h THR 14 N 0.42 0.89 0.00 -1.15 2.02 -1.91 -0.65 112.91 112.53 1lm4 h THR 14 Ca 0.38 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1lm4 h THR 14 Cb 0.88 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1lm4 h THR 14 CO -0.12 0.07 0.00 -0.07 0.37 0.00 0.00 175.52 175.76 1lm4 h LEU 15 N 0.00 0.00 -1.69 2.58 3.38 -1.63 -2.83 115.31 115.11 1lm4 h LEU 15 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lm4 h LEU 15 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1lm4 h LEU 15 CO 0.01 0.00 -0.03 0.54 0.09 0.00 0.00 178.44 179.05 1lm4 n ARG 16 N -2.55 1.71 -2.76 1.13 5.12 -0.26 -4.27 116.66 114.77 1lm4 n ARG 16 Ca 0.01 -1.61 -0.29 0.00 -1.93 0.00 0.00 57.85 54.04 1lm4 n ARG 16 Cb 0.25 -1.37 -0.02 0.00 -1.16 0.00 0.00 32.46 30.16 1lm4 n ARG 16 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1lm4 s GLN 17 N -1.68 3.65 -0.25 5.56 -0.21 -1.07 -4.58 119.66 121.09 1lm4 s GLN 17 Ca 0.22 0.31 -0.22 0.00 0.02 0.00 0.00 55.36 55.70 1lm4 s GLN 17 Cb 0.16 -2.39 -0.02 0.00 1.00 0.00 0.00 33.01 31.76 1lm4 s GLN 17 CO 0.26 -0.11 0.69 0.21 -2.12 0.00 0.00 175.29 174.22 1lm4 s LYS 18 N -4.28 4.14 0.58 2.91 2.20 -1.26 -2.84 119.74 121.18 1lm4 s LYS 18 Ca 0.49 0.67 -0.17 0.00 -0.36 0.00 0.00 55.97 56.60 1lm4 s LYS 18 Cb -0.10 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 1lm4 s LYS 18 CO 0.38 -0.43 1.09 0.00 -0.36 0.00 0.00 175.35 176.03 1lm4 s ALA 19 N 2.56 2.67 0.14 3.13 0.00 0.19 -4.99 121.76 125.45 1lm4 s ALA 19 Ca 0.29 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1lm4 s ALA 19 Cb -0.15 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1lm4 s ALA 19 CO 0.08 -0.86 1.12 0.00 0.00 0.00 0.00 175.76 176.10 1lm4 s ALA 20 N -2.16 3.37 0.34 0.00 0.00 -0.70 -4.65 121.76 117.95 1lm4 s ALA 20 Ca 0.68 0.81 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 1lm4 s ALA 20 Cb -0.19 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 1lm4 s ALA 20 CO 0.33 -0.27 1.34 -2.00 0.00 0.00 0.00 175.76 175.16 1lm4 s GLU 21 N 0.06 4.31 0.05 0.00 2.56 -1.26 -1.00 118.70 123.43 1lm4 s GLU 21 Ca 0.52 2.28 0.00 0.00 0.00 0.00 0.00 54.97 57.77 1lm4 s GLU 21 Cb -0.29 -3.05 -0.04 0.00 2.00 0.00 0.00 34.13 32.75 1lm4 s GLU 21 CO 0.33 -0.25 0.19 -0.51 -0.56 0.00 0.00 175.26 174.46 1lm4 s LEU 22 N -1.83 4.30 0.16 2.70 1.43 -1.26 -4.91 118.68 119.28 1lm4 s LEU 22 Ca 0.50 0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.73 1lm4 s LEU 22 Cb -0.41 -2.87 -0.07 0.00 0.03 0.00 0.00 46.19 42.87 1lm4 s LEU 22 CO 0.55 0.18 0.52 -1.61 0.23 0.00 0.00 176.35 176.22 1lm4 s GLU 23 N -2.43 3.88 0.03 1.70 2.02 -1.26 -4.94 118.70 117.70 1lm4 s GLU 23 Ca 0.34 0.36 0.01 0.00 0.02 0.00 0.00 54.97 55.69 1lm4 s GLU 23 Cb -0.13 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 1lm4 s GLU 23 CO 0.26 0.44 0.09 -0.51 0.02 0.00 0.00 175.26 175.56 1lm4 s LEU 24 N -2.25 3.93 0.60 1.80 2.01 -1.26 -4.01 118.68 119.50 1lm4 s LEU 24 Ca 0.40 0.12 -0.16 0.00 0.01 0.00 0.00 54.13 54.50 1lm4 s LEU 24 Cb -0.13 -2.40 -0.03 0.00 0.01 0.00 0.00 46.19 43.63 1lm4 s LEU 24 CO 0.20 0.23 1.07 -2.16 1.01 0.00 0.00 176.35 176.70 1lm4 s PRO 25 N -2.00 3.21 0.67 1.29 0.04 -1.26 -5.13 135.00 131.83 1lm4 s PRO 25 Ca 0.26 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.41 1lm4 s PRO 25 Cb -0.12 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1lm4 s PRO 25 CO 0.18 -0.90 1.15 -0.51 0.04 0.00 0.00 177.00 176.95 1lm4 s LEU 26 N -4.53 3.40 0.81 -3.56 1.43 -1.26 -5.02 118.68 109.96 1lm4 s LEU 26 Ca 0.65 2.16 -0.11 0.00 -1.03 0.00 0.00 54.13 55.79 1lm4 s LEU 26 Cb -0.17 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.55 1lm4 s LEU 26 CO 0.37 -1.83 1.10 0.42 0.23 0.00 0.00 176.35 176.64 1lm4 s THR 27 N -2.13 2.99 0.22 5.49 -4.23 -1.26 -4.85 115.64 111.87 1lm4 s THR 27 Ca 0.71 0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 61.45 1lm4 s THR 27 Cb -0.24 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.73 1lm4 s THR 27 CO 0.41 -0.42 1.87 0.50 -0.54 0.00 0.00 174.62 176.45 1lm4 h LYS 28 N -1.14 1.09 -0.96 3.99 1.63 -1.99 -0.59 116.57 118.60 1lm4 h LYS 28 Ca -0.47 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.24 1lm4 h LYS 28 Cb 1.27 -0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 32.62 1lm4 h LYS 28 CO 0.59 0.75 0.61 1.49 -3.45 0.00 0.00 179.45 179.45 1lm4 h GLU 29 N 1.11 1.27 -0.61 1.90 4.81 -1.99 -0.16 114.58 120.91 1lm4 h GLU 29 Ca 0.29 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1lm4 h GLU 29 Cb -0.08 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.00 1lm4 h GLU 29 CO -0.06 0.86 0.07 0.93 -0.73 0.00 0.00 179.01 180.08 1lm4 h GLU 30 N 1.31 1.04 -0.57 1.92 5.08 -1.73 0.95 114.58 122.57 1lm4 h GLU 30 Ca 0.35 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1lm4 h GLU 30 Cb -0.12 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1lm4 h GLU 30 CO -0.07 0.99 0.21 0.87 -1.00 0.00 0.00 179.01 180.01 1lm4 h LYS 31 N 0.94 0.86 -0.16 2.33 1.57 -0.56 -1.38 116.57 120.16 1lm4 h LYS 31 Ca 0.18 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1lm4 h LYS 31 Cb 0.48 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1lm4 h LYS 31 CO 0.02 0.75 -0.14 0.93 -0.57 0.00 0.00 179.45 180.44 1lm4 h GLU 32 N 0.78 0.26 -0.04 3.15 5.08 -0.68 -0.51 114.58 122.63 1lm4 h GLU 32 Ca 0.19 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1lm4 h GLU 32 Cb 0.22 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1lm4 h GLU 32 CO -0.01 0.41 0.01 1.15 -1.00 0.00 0.00 179.01 179.57 1lm4 h THR 33 N 0.25 1.19 -0.46 1.13 2.02 -0.32 0.01 112.91 116.72 1lm4 h THR 33 Ca 0.05 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1lm4 h THR 33 Cb 0.40 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1lm4 h THR 33 CO 0.02 0.15 0.23 -0.07 0.37 0.00 0.00 175.52 176.23 1lm4 h LEU 34 N -0.15 0.59 -0.89 2.58 3.38 -0.95 0.86 115.31 120.74 1lm4 h LEU 34 Ca 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1lm4 h LEU 34 Cb 0.23 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1lm4 h LEU 34 CO 0.00 0.54 0.46 0.40 0.09 0.00 0.00 178.44 179.93 1lm4 h ILE 35 N 0.60 1.26 -0.17 1.22 2.04 -0.98 -1.44 117.51 120.04 1lm4 h ILE 35 Ca 0.16 -0.69 -0.14 0.00 1.00 0.00 0.00 64.86 65.19 1lm4 h ILE 35 Cb 0.10 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1lm4 h ILE 35 CO -0.02 0.30 -0.48 0.00 0.00 0.00 0.00 178.15 177.95 1lm4 h ALA 36 N 1.25 0.84 -0.11 1.87 0.00 -0.48 0.76 119.26 123.39 1lm4 h ALA 36 Ca 0.31 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1lm4 h ALA 36 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1lm4 h ALA 36 CO -0.04 0.66 0.05 0.52 0.00 0.00 0.00 179.25 180.44 1lm4 h MET 37 N 0.37 0.17 -0.76 0.00 2.86 -0.47 0.12 114.93 117.20 1lm4 h MET 37 Ca 0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1lm4 h MET 37 Cb 0.98 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 1lm4 h MET 37 CO 0.09 0.24 0.43 -0.09 1.06 0.00 0.00 176.91 178.63 1lm4 h ARG 38 N 0.05 1.06 -0.06 1.72 2.43 -1.06 -2.57 114.38 115.95 1lm4 h ARG 38 Ca 0.04 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1lm4 h ARG 38 Cb 0.13 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1lm4 h ARG 38 CO -0.00 0.77 -0.38 1.49 -1.51 0.00 0.00 179.97 180.33 1lm4 h GLU 39 N 1.06 0.13 -0.51 0.20 4.57 -0.40 -0.87 114.58 118.77 1lm4 h GLU 39 Ca 0.27 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1lm4 h GLU 39 Cb 0.01 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1lm4 h GLU 39 CO -0.05 0.50 0.20 0.35 -1.18 0.00 0.00 179.01 178.83 1lm4 h PHE 40 N 0.11 0.78 -0.73 0.92 3.57 -0.61 0.20 116.94 121.18 1lm4 h PHE 40 Ca 0.01 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1lm4 h PHE 40 Cb 0.73 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1lm4 h PHE 40 CO 0.01 0.65 0.34 -0.07 -2.23 0.00 0.00 178.31 177.01 1lm4 h LEU 41 N 0.68 0.97 -0.32 0.59 3.38 -0.90 0.32 115.31 120.03 1lm4 h LEU 41 Ca 0.17 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1lm4 h LEU 41 Cb 0.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1lm4 h LEU 41 CO -0.01 0.84 0.16 0.58 0.09 0.00 0.00 178.44 180.09 1lm4 h VAL 42 N 1.03 0.99 -0.58 1.22 2.07 -0.67 -1.76 116.25 118.55 1lm4 h VAL 42 Ca 0.25 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.57 1lm4 h VAL 42 Cb 0.14 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1lm4 h VAL 42 CO -0.03 0.06 0.00 0.78 0.02 0.00 0.00 177.57 178.41 1lm4 h ASN 43 N 0.33 1.00 0.89 0.57 2.35 -0.17 -2.44 115.58 118.11 1lm4 h ASN 43 Ca 0.13 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1lm4 h ASN 43 Cb 0.05 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1lm4 h ASN 43 CO -0.09 1.06 -0.02 0.77 -1.65 0.00 0.00 177.43 177.50 1lm4 h SER 44 N 0.92 0.00 0.64 5.81 4.64 -0.02 -2.68 113.55 122.86 1lm4 h SER 44 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1lm4 h SER 44 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1lm4 h SER 44 CO 0.03 0.02 -0.85 0.00 -0.87 0.00 0.00 176.83 175.16 1lm4 n GLN 45 N -3.14 0.30 -2.93 4.77 6.02 -0.69 -3.95 117.38 117.77 1lm4 n GLN 45 Ca 0.00 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 1lm4 n GLN 45 Cb 0.29 -1.64 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 1lm4 n GLN 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1lm4 s ASP 46 N -4.10 6.75 0.20 1.08 -1.08 -0.97 -4.95 116.67 113.59 1lm4 s ASP 46 Ca 0.05 0.87 -0.11 0.00 -0.52 0.00 0.00 52.55 52.84 1lm4 s ASP 46 Cb 0.14 -2.42 0.23 0.00 -1.46 0.00 0.00 42.92 39.41 1lm4 s ASP 46 CO 0.76 -0.54 1.73 -0.08 0.52 0.00 0.00 175.17 177.56 1lm4 h GLU 47 N 7.87 0.33 -0.26 4.34 4.81 -1.87 0.10 114.58 129.90 1lm4 h GLU 47 Ca -0.24 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 58.82 1lm4 h GLU 47 Cb 1.10 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1lm4 h GLU 47 CO 0.87 0.22 -0.45 0.93 -0.73 0.00 0.00 179.01 179.85 1lm4 h GLU 48 N 0.34 0.77 -0.45 1.92 4.39 -1.92 -2.00 114.58 117.62 1lm4 h GLU 48 Ca 0.28 -0.48 -0.10 0.00 0.34 0.00 0.00 59.36 59.40 1lm4 h GLU 48 Cb 0.35 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1lm4 h GLU 48 CO -0.30 1.10 -0.10 0.82 -1.16 0.00 0.00 179.01 179.37 1lm4 h ILE 49 N 0.51 1.27 -0.96 3.13 1.08 -1.73 0.16 117.51 120.98 1lm4 h ILE 49 Ca 0.02 -1.21 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 1lm4 h ILE 49 Cb 1.05 1.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.88 1lm4 h ILE 49 CO 0.10 0.41 0.59 0.00 -0.69 0.00 0.00 178.15 178.57 1lm4 h ALA 50 N 0.88 1.22 -0.26 1.87 0.00 -0.77 -0.50 119.26 121.69 1lm4 h ALA 50 Ca 0.12 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1lm4 h ALA 50 Cb 0.64 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1lm4 h ALA 50 CO 0.04 0.67 -0.52 -0.22 0.00 0.00 0.00 179.25 179.22 1lm4 h LYS 51 N 1.32 0.82 -0.40 0.00 3.64 -1.12 0.14 116.57 120.97 1lm4 h LYS 51 Ca 0.35 -0.53 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 1lm4 h LYS 51 Cb -0.08 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1lm4 h LYS 51 CO -0.07 1.16 0.03 -0.09 -2.27 0.00 0.00 179.45 178.21 1lm4 h ARG 52 N 0.59 0.63 -0.32 1.90 2.43 -0.45 -3.06 114.38 116.09 1lm4 h ARG 52 Ca 0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1lm4 h ARG 52 Cb 1.13 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1lm4 h ARG 52 CO 0.12 0.63 0.00 0.66 -1.51 0.00 0.00 179.97 179.86 1lm4 n TYR 53 N -4.27 0.55 -2.66 2.20 4.01 -0.24 -4.99 117.16 111.76 1lm4 n TYR 53 Ca 0.02 -0.57 -0.17 0.00 -0.16 0.00 0.00 57.90 57.02 1lm4 n TYR 53 Cb 0.25 -0.08 0.02 0.00 -0.31 0.00 0.00 39.34 39.21 1lm4 n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1lm4 n GLY 54 N 0.30 -0.25 3.82 2.72 0.00 -0.14 -4.77 105.19 106.87 1lm4 n GLY 54 Ca 0.13 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1lm4 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lm4 s LEU 55 N -4.99 4.38 -0.06 0.99 1.43 0.29 -4.79 118.68 115.94 1lm4 s LEU 55 Ca 0.15 1.36 -0.18 0.00 -1.03 0.00 0.00 54.13 54.43 1lm4 s LEU 55 Cb -0.07 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 1lm4 s LEU 55 CO 0.19 0.08 0.49 -0.60 0.23 0.00 0.00 176.35 176.75 1lm4 s ARG 56 N -1.82 4.24 0.08 1.70 3.52 -1.26 -4.73 118.95 120.68 1lm4 s ARG 56 Ca 0.40 0.52 -0.31 0.00 -0.13 0.00 0.00 55.73 56.21 1lm4 s ARG 56 Cb -0.17 -3.36 -0.07 0.00 -1.56 0.00 0.00 34.95 29.80 1lm4 s ARG 56 CO 0.21 0.35 1.30 0.45 -0.81 0.00 0.00 175.30 176.80 1lm4 s SER 57 N -0.02 6.95 0.10 -2.12 0.15 -1.25 -4.83 113.70 112.67 1lm4 s SER 57 Ca 0.27 2.15 0.02 0.00 0.70 0.00 0.00 55.95 59.09 1lm4 s SER 57 Cb -0.16 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1lm4 s SER 57 CO 0.13 -0.58 -0.07 -0.83 1.20 0.00 0.00 173.24 173.09 1lm4 s GLY 58 N 1.17 0.77 0.00 9.45 0.00 -1.26 -1.36 107.32 116.09 1lm4 s GLY 58 Ca 0.62 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1lm4 s GLY 58 CO 0.29 -1.40 0.46 3.33 0.00 0.00 0.00 173.10 175.78 1lm4 n VAL 59 N 0.12 0.00 -3.74 1.40 0.24 -0.01 -4.67 118.33 111.68 1lm4 n VAL 59 Ca -0.13 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.56 1lm4 n VAL 59 Cb 0.60 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.92 1lm4 n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1lm4 s GLY 60 N -0.06 -0.16 -0.19 7.63 0.00 -1.23 -0.53 107.32 112.78 1lm4 s GLY 60 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.74 1lm4 s GLY 60 CO 0.00 -0.04 0.49 -2.27 0.00 0.00 0.00 173.10 171.29 1lm4 s LEU 61 N -1.79 0.07 0.02 0.66 2.96 0.12 -3.11 118.68 117.61 1lm4 s LEU 61 Ca -0.08 1.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.89 1lm4 s LEU 61 Cb -0.02 1.69 -0.03 0.00 0.50 0.00 0.00 46.19 48.33 1lm4 s LEU 61 CO -0.00 -0.17 -0.14 0.00 -1.32 0.00 0.00 176.35 174.71 1lm4 s ALA 62 N 0.37 2.72 0.38 5.97 0.00 -1.26 -0.72 121.76 129.21 1lm4 s ALA 62 Ca -0.01 -1.12 0.13 0.00 0.00 0.00 0.00 51.96 50.96 1lm4 s ALA 62 Cb -0.04 -0.88 0.94 0.00 0.00 0.00 0.00 23.12 23.15 1lm4 s ALA 62 CO -0.01 0.58 1.84 0.00 0.00 0.00 0.00 175.76 178.17 1lm4 h ALA 63 N 4.64 2.00 -0.31 0.00 0.00 -1.32 0.12 119.26 124.39 1lm4 h ALA 63 Ca -0.48 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1lm4 h ALA 63 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1lm4 h ALA 63 CO 0.50 -0.30 0.23 -1.35 0.00 0.00 0.00 179.25 178.33 1lm4 h PRO 64 N 0.56 0.00 0.00 0.00 0.11 -1.44 -0.04 132.00 131.18 1lm4 h PRO 64 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1lm4 h PRO 64 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1lm4 h PRO 64 CO -0.24 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.51 1lm4 h GLN 65 N 0.00 0.00 -0.35 1.05 4.20 -1.02 -0.15 115.11 118.84 1lm4 h GLN 65 Ca 0.15 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.72 1lm4 h GLN 65 Cb 0.61 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.31 1lm4 h GLN 65 CO -0.00 0.00 -0.02 0.44 -0.67 0.00 0.00 178.83 178.58 1lm4 n ILE 66 N -2.30 2.50 -2.73 2.54 -5.35 -0.11 -0.55 119.36 113.36 1lm4 n ILE 66 Ca 0.01 -2.44 -0.16 0.00 -0.27 0.00 0.00 62.75 59.89 1lm4 n ILE 66 Cb 0.18 -0.31 0.02 0.00 -1.74 0.00 0.00 39.64 37.79 1lm4 n ILE 66 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1lm4 n ASN 67 N -0.95 -4.90 -4.04 7.28 4.05 -0.07 -4.95 115.26 111.69 1lm4 n ASN 67 Ca 0.31 -0.18 -0.32 0.00 0.45 0.00 0.00 54.58 54.84 1lm4 n ASN 67 Cb 1.02 -3.80 -0.15 0.00 1.23 0.00 0.00 39.78 38.08 1lm4 n ASN 67 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1lm4 s ILE 68 N -2.97 2.01 -1.37 -1.44 1.01 -0.72 -4.99 121.20 112.72 1lm4 s ILE 68 Ca 0.19 -1.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.21 1lm4 s ILE 68 Cb -0.08 -2.15 0.10 0.00 0.01 0.00 0.00 42.46 40.34 1lm4 s ILE 68 CO 0.23 -0.03 2.14 -0.24 0.00 0.00 0.00 174.94 177.04 1lm4 n SER 69 N 4.50 5.26 -4.07 3.58 2.88 -1.26 -1.41 113.62 123.09 1lm4 n SER 69 Ca -0.14 -2.98 -0.13 0.00 -1.33 0.00 0.00 58.87 54.30 1lm4 n SER 69 Cb 0.43 -1.53 -0.11 0.00 -0.75 0.00 0.00 64.21 62.24 1lm4 n SER 69 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1lm4 s LYS 70 N 1.33 0.56 -1.32 -1.46 1.02 -1.26 -1.71 119.74 116.89 1lm4 s LYS 70 Ca 0.46 -0.81 -0.16 0.00 0.02 0.00 0.00 55.97 55.48 1lm4 s LYS 70 Cb 0.13 -0.28 0.09 0.00 -0.52 0.00 0.00 37.83 37.24 1lm4 s LYS 70 CO -0.04 0.04 1.81 0.54 -0.92 0.00 0.00 175.35 176.78 1lm4 n ARG 71 N 1.32 3.18 -3.97 1.68 1.74 -0.17 -4.40 116.66 116.03 1lm4 n ARG 71 Ca -0.22 -3.24 -0.13 0.00 -0.77 0.00 0.00 57.85 53.49 1lm4 n ARG 71 Cb 0.55 -3.33 -0.14 0.00 -1.02 0.00 0.00 32.46 28.52 1lm4 n ARG 71 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1lm4 s MET 72 N 3.27 0.16 0.04 5.56 -1.94 -1.26 -0.36 119.30 124.76 1lm4 s MET 72 Ca 0.49 -0.08 -0.00 0.00 -1.71 0.00 0.00 55.69 54.39 1lm4 s MET 72 Cb 0.06 -0.15 -0.03 0.00 2.01 0.00 0.00 34.83 36.72 1lm4 s MET 72 CO 0.02 0.04 -0.03 0.96 -0.01 0.00 0.00 175.02 176.00 1lm4 s ILE 73 N -0.07 0.22 -0.04 2.53 -4.36 -0.34 -1.08 121.20 118.06 1lm4 s ILE 73 Ca 0.00 -1.47 0.04 0.00 -0.26 0.00 0.00 60.65 58.97 1lm4 s ILE 73 Cb -0.01 -1.05 -0.00 0.00 1.25 0.00 0.00 42.46 42.65 1lm4 s ILE 73 CO -0.00 -0.79 -0.17 0.00 0.24 0.00 0.00 174.94 174.22 1lm4 s ALA 74 N -2.93 1.53 -0.07 2.27 0.00 0.10 -0.73 121.76 121.94 1lm4 s ALA 74 Ca -0.01 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1lm4 s ALA 74 Cb 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1lm4 s ALA 74 CO -0.06 0.28 -0.17 0.08 0.00 0.00 0.00 175.76 175.88 1lm4 s VAL 75 N 0.05 1.49 -0.34 0.00 1.01 0.01 -0.70 120.40 121.91 1lm4 s VAL 75 Ca -0.04 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1lm4 s VAL 75 Cb -0.12 -1.32 0.14 0.00 0.00 0.00 0.00 36.38 35.08 1lm4 s VAL 75 CO 0.02 0.43 0.21 -0.22 0.00 0.00 0.00 175.10 175.54 1lm4 s LEU 76 N 0.44 0.83 -0.35 3.92 2.96 0.31 -0.99 118.68 125.80 1lm4 s LEU 76 Ca -0.14 -2.00 -0.10 0.00 -0.22 0.00 0.00 54.13 51.67 1lm4 s LEU 76 Cb -0.16 -0.32 0.02 0.00 0.50 0.00 0.00 46.19 46.23 1lm4 s LEU 76 CO 0.05 -0.33 0.17 -0.63 -1.32 0.00 0.00 176.35 174.30 1lm4 s ILE 77 N 1.26 4.46 0.90 6.68 1.01 0.58 -4.49 121.20 131.61 1lm4 s ILE 77 Ca 0.17 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1lm4 s ILE 77 Cb -0.21 -3.42 0.13 0.00 0.01 0.00 0.00 42.46 38.97 1lm4 s ILE 77 CO -0.05 -0.12 1.09 -2.16 0.00 0.00 0.00 174.94 173.70 1lm4 s PRO 78 N 1.55 1.18 -0.09 2.79 0.04 -1.26 -1.14 135.00 138.07 1lm4 s PRO 78 Ca 0.02 1.02 -0.40 0.00 0.04 0.00 0.00 61.00 61.69 1lm4 s PRO 78 Cb -0.18 -1.78 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 1lm4 s PRO 78 CO 0.06 -2.35 1.39 -3.47 0.04 0.00 0.00 177.00 172.67 1lm4 n ASP 79 N -3.98 1.32 -0.48 6.66 -0.08 -1.26 -4.76 116.55 113.98 1lm4 n ASP 79 Ca 0.08 1.13 0.04 0.00 -1.51 0.00 0.00 54.79 54.53 1lm4 n ASP 79 Cb 0.54 -1.07 0.11 0.00 2.34 0.00 0.00 41.12 43.04 1lm4 n ASP 79 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1lm4 n ASP 80 N 3.05 1.38 0.00 1.67 5.75 -1.02 -4.84 116.55 122.54 1lm4 n ASP 80 Ca 0.22 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 1lm4 n ASP 80 Cb 0.12 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1lm4 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lm4 n GLY 81 N 0.88 2.59 0.23 6.12 0.00 -1.26 -4.91 105.19 108.86 1lm4 n GLY 81 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1lm4 n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lm4 n SER 82 N 0.00 1.37 0.00 1.61 3.41 -1.26 -4.95 113.62 113.81 1lm4 n SER 82 Ca 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 1lm4 n SER 82 Cb 0.00 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1lm4 n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lm4 n GLY 83 N 1.45 1.01 3.68 5.00 0.00 -1.26 -5.05 105.19 110.02 1lm4 n GLY 83 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1lm4 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm4 s LYS 84 N -0.85 4.35 0.02 1.61 1.02 -1.26 -4.92 119.74 119.71 1lm4 s LYS 84 Ca 0.00 1.55 0.00 0.00 0.02 0.00 0.00 55.97 57.54 1lm4 s LYS 84 Cb 0.00 -3.59 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 1lm4 s LYS 84 CO 0.00 -0.46 -0.03 0.45 -0.92 0.00 0.00 175.35 174.39 1lm4 s SER 85 N 1.39 0.31 -0.21 2.83 0.15 -1.26 -2.42 113.70 114.49 1lm4 s SER 85 Ca 0.52 -0.54 -0.00 0.00 0.70 0.00 0.00 55.95 56.63 1lm4 s SER 85 Cb -0.21 0.10 0.05 0.00 -1.71 0.00 0.00 66.02 64.25 1lm4 s SER 85 CO 0.18 -0.31 -0.03 -0.31 1.20 0.00 0.00 173.24 173.96 1lm4 s TYR 86 N -1.61 1.92 -0.36 3.44 2.02 -0.29 -4.98 117.35 117.49 1lm4 s TYR 86 Ca -0.14 -1.39 0.00 0.00 -0.37 0.00 0.00 57.07 55.17 1lm4 s TYR 86 Cb -0.09 -1.39 0.12 0.00 -0.40 0.00 0.00 41.96 40.20 1lm4 s TYR 86 CO -0.01 -0.70 0.16 0.34 -1.57 0.00 0.00 175.55 173.77 1lm4 s ASP 87 N 1.56 3.70 -0.03 2.29 -1.08 -1.25 -0.31 116.67 121.54 1lm4 s ASP 87 Ca -0.03 -2.03 0.01 0.00 -0.52 0.00 0.00 52.55 49.98 1lm4 s ASP 87 Cb -0.18 -0.81 0.02 0.00 -1.46 0.00 0.00 42.92 40.49 1lm4 s ASP 87 CO -0.07 -0.35 -0.04 -0.31 0.52 0.00 0.00 175.17 174.92 1lm4 s TYR 88 N 1.14 0.63 -0.29 -5.34 2.02 -0.16 -5.01 117.35 110.34 1lm4 s TYR 88 Ca 0.14 -0.15 -0.04 0.00 -0.37 0.00 0.00 57.07 56.65 1lm4 s TYR 88 Cb -0.21 -0.55 0.03 0.00 -0.40 0.00 0.00 41.96 40.83 1lm4 s TYR 88 CO -0.13 -0.14 0.02 -1.64 -1.57 0.00 0.00 175.55 172.10 1lm4 s MET 89 N 0.67 2.78 0.03 -0.62 -1.94 -1.26 -0.81 119.30 118.15 1lm4 s MET 89 Ca -0.08 -1.04 0.08 0.00 -1.71 0.00 0.00 55.69 52.93 1lm4 s MET 89 Cb -0.12 -3.23 -0.03 0.00 2.01 0.00 0.00 34.83 33.46 1lm4 s MET 89 CO -0.00 -0.51 -0.23 -0.51 -0.01 0.00 0.00 175.02 173.76 1lm4 s LEU 90 N 1.37 2.33 -0.09 -0.03 1.43 0.10 -3.95 118.68 119.84 1lm4 s LEU 90 Ca -0.01 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1lm4 s LEU 90 Cb -0.18 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1lm4 s LEU 90 CO -0.00 0.27 -0.10 -0.69 0.23 0.00 0.00 176.35 176.06 1lm4 s VAL 91 N -0.81 3.39 -1.53 -1.59 1.01 0.77 -1.20 120.40 120.44 1lm4 s VAL 91 Ca 0.12 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1lm4 s VAL 91 Cb -0.10 -2.39 0.08 0.00 0.00 0.00 0.00 36.38 33.96 1lm4 s VAL 91 CO 0.03 0.57 0.72 0.59 0.00 0.00 0.00 175.10 177.00 1lm4 n ASN 92 N 2.72 -2.58 -4.76 3.32 3.02 0.51 -1.08 115.26 116.40 1lm4 n ASN 92 Ca -0.18 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.04 1lm4 n ASN 92 Cb 0.53 -3.28 -0.02 0.00 -0.61 0.00 0.00 39.78 36.39 1lm4 n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1lm4 s PRO 93 N -6.64 4.31 -0.06 3.52 0.04 -1.26 -4.51 135.00 130.41 1lm4 s PRO 93 Ca 0.42 2.26 -0.04 0.00 0.04 0.00 0.00 61.00 63.68 1lm4 s PRO 93 Cb -0.22 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.26 1lm4 s PRO 93 CO 0.88 -0.28 0.13 -1.59 0.04 0.00 0.00 177.00 176.18 1lm4 s LYS 94 N -1.32 0.12 -0.21 4.56 -2.85 -0.00 -4.99 119.74 115.05 1lm4 s LYS 94 Ca 0.53 0.26 -0.29 0.00 -1.00 0.00 0.00 55.97 55.47 1lm4 s LYS 94 Cb -0.41 -0.04 0.01 0.00 -2.06 0.00 0.00 37.83 35.33 1lm4 s LYS 94 CO 0.50 -0.08 1.02 0.42 0.10 0.00 0.00 175.35 177.31 1lm4 s ILE 95 N 0.56 4.71 -0.05 3.79 1.01 -1.26 -0.90 121.20 129.05 1lm4 s ILE 95 Ca -0.04 2.00 0.18 0.00 0.00 0.00 0.00 60.65 62.79 1lm4 s ILE 95 Cb -0.06 -4.30 -0.28 0.00 0.01 0.00 0.00 42.46 37.84 1lm4 s ILE 95 CO -0.03 -0.15 0.40 1.33 0.00 0.00 0.00 174.94 176.50 1lm4 n VAL 96 N 5.21 0.00 -4.05 2.92 0.24 0.44 -4.91 118.33 118.18 1lm4 n VAL 96 Ca 0.11 -0.40 -0.21 0.00 -2.04 0.00 0.00 64.34 61.80 1lm4 n VAL 96 Cb 0.46 0.12 -0.17 0.00 -1.47 0.00 0.00 33.84 32.79 1lm4 n VAL 96 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1lm4 s SER 97 N -4.02 1.17 -0.23 -1.34 0.15 -1.11 -4.96 113.70 103.35 1lm4 s SER 97 Ca -0.06 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.44 1lm4 s SER 97 Cb 0.12 -0.47 0.02 0.00 -1.71 0.00 0.00 66.02 63.97 1lm4 s SER 97 CO 0.74 -0.09 -0.08 -1.00 1.20 0.00 0.00 173.24 174.02 1lm4 s HIS 98 N 1.22 3.00 0.30 3.44 0.09 -1.26 -1.34 115.29 120.74 1lm4 s HIS 98 Ca -0.06 -1.42 -0.29 0.00 -0.00 0.00 0.00 55.06 53.28 1lm4 s HIS 98 Cb -0.14 -2.05 -0.11 0.00 -0.00 0.00 0.00 32.58 30.29 1lm4 s HIS 98 CO -0.02 -0.70 1.45 0.45 -0.00 0.00 0.00 174.74 175.93 1lm4 s SER 99 N 1.36 6.56 0.09 1.40 0.15 0.13 -4.94 113.70 118.45 1lm4 s SER 99 Ca 0.02 2.80 -0.15 0.00 0.70 0.00 0.00 55.95 59.32 1lm4 s SER 99 Cb -0.16 -2.64 -0.11 0.00 -1.71 0.00 0.00 66.02 61.41 1lm4 s SER 99 CO -0.05 -0.74 1.38 0.58 1.20 0.00 0.00 173.24 175.60 1lm4 h VAL 100 N 3.31 1.31 -2.91 4.45 2.07 -1.99 -3.40 116.25 119.09 1lm4 h VAL 100 Ca -0.48 -1.59 -0.52 0.00 0.82 0.00 0.00 66.70 64.93 1lm4 h VAL 100 Cb 1.22 1.72 0.06 0.00 -1.52 0.00 0.00 31.29 32.77 1lm4 h VAL 100 CO 0.73 0.50 0.92 -1.58 0.02 0.00 0.00 177.57 178.17 1lm4 s GLN 101 N -4.17 4.17 0.32 1.57 0.74 -1.26 -4.87 119.66 116.16 1lm4 s GLN 101 Ca -0.12 2.49 -0.04 0.00 0.05 0.00 0.00 55.36 57.74 1lm4 s GLN 101 Cb 0.08 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 31.05 1lm4 s GLN 101 CO 0.84 -0.65 0.57 -1.21 -0.55 0.00 0.00 175.29 174.29 1lm4 s GLU 102 N 0.70 3.59 0.04 1.67 2.02 -1.26 -0.86 118.70 124.59 1lm4 s GLU 102 Ca 0.70 -0.06 -0.03 0.00 0.02 0.00 0.00 54.97 55.59 1lm4 s GLU 102 Cb -0.47 -2.63 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 1lm4 s GLU 102 CO 0.36 0.17 0.03 0.00 0.02 0.00 0.00 175.26 175.84 1lm4 s ALA 103 N -2.19 0.12 0.03 5.21 0.00 0.80 -1.03 121.76 124.71 1lm4 s ALA 103 Ca 0.43 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 1lm4 s ALA 103 Cb -0.10 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1lm4 s ALA 103 CO 0.33 -0.29 0.35 1.52 0.00 0.00 0.00 175.76 177.67 1lm4 s TYR 104 N -2.63 -0.19 -0.07 0.00 -0.85 -0.67 -0.51 117.35 112.43 1lm4 s TYR 104 Ca -0.05 0.16 -0.28 0.00 -0.52 0.00 0.00 57.07 56.38 1lm4 s TYR 104 Cb -0.01 0.14 -0.02 0.00 0.38 0.00 0.00 41.96 42.45 1lm4 s TYR 104 CO -0.05 -0.50 0.93 -0.51 -1.52 0.00 0.00 175.55 173.90 1lm4 s LEU 105 N -1.83 4.30 0.60 -3.49 1.43 -1.26 -1.08 118.68 117.34 1lm4 s LEU 105 Ca -0.07 1.49 0.34 0.00 -1.03 0.00 0.00 54.13 54.85 1lm4 s LEU 105 Cb -0.02 -3.45 1.92 0.00 0.03 0.00 0.00 46.19 44.67 1lm4 s LEU 105 CO -0.01 -0.32 2.25 1.55 0.23 0.00 0.00 176.35 180.05 1lm4 h PRO 106 N 6.96 0.00 -0.30 1.29 0.13 -1.95 -1.26 132.00 136.86 1lm4 h PRO 106 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1lm4 h PRO 106 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1lm4 h PRO 106 CO 0.80 0.02 0.00 0.25 -0.23 0.00 0.00 178.00 178.84 1lm4 n THR 107 N -3.56 0.38 -2.51 1.56 -2.24 -1.26 -4.96 114.28 101.69 1lm4 n THR 107 Ca -0.03 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1lm4 n THR 107 Cb 0.12 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1lm4 n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lm4 n GLY 108 N 1.30 -1.55 3.16 3.38 0.00 -0.48 -4.80 105.19 106.20 1lm4 n GLY 108 Ca 0.17 -1.56 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 1lm4 n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm4 s GLU 109 N 0.00 0.79 0.00 1.61 2.02 -1.26 -4.65 118.70 117.21 1lm4 s GLU 109 Ca 0.00 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 53.94 1lm4 s GLU 109 Cb 0.00 -0.55 0.00 0.00 0.10 0.00 0.00 34.13 33.68 1lm4 s GLU 109 CO 0.00 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.79 1lm4 n GLY 110 N 0.86 6.36 0.07 -1.39 0.00 -1.26 -4.75 105.19 105.09 1lm4 n GLY 110 Ca -0.18 -1.89 0.07 0.00 0.00 0.00 0.00 46.02 44.02 1lm4 n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lm4 n LEU 112 N 0.00 0.50 -0.24 0.99 4.77 0.38 -4.05 117.00 119.34 1lm4 n LEU 112 Ca 0.00 0.20 0.14 0.00 -0.03 0.00 0.00 56.01 56.32 1lm4 n LEU 112 Cb 0.00 0.04 0.48 0.00 -2.33 0.00 0.00 43.42 41.61 1lm4 n LEU 112 CO 0.00 0.01 0.76 -1.20 -1.33 0.00 0.00 177.39 175.63 1lm4 n SER 113 N -2.60 0.92 -4.14 -1.43 7.64 -1.26 -4.78 113.62 107.97 1lm4 n SER 113 Ca -0.06 -0.91 -0.34 0.00 1.01 0.00 0.00 58.87 58.57 1lm4 n SER 113 Cb 0.68 0.05 -0.15 0.00 -1.01 0.00 0.00 64.21 63.78 1lm4 n SER 113 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1lm4 s VAL 114 N -2.40 2.60 -0.07 0.44 1.01 -1.26 -0.43 120.40 120.28 1lm4 s VAL 114 Ca 0.29 -1.31 0.14 0.00 0.00 0.00 0.00 61.98 61.10 1lm4 s VAL 114 Cb 0.20 -2.41 -0.19 0.00 0.00 0.00 0.00 36.38 33.98 1lm4 s VAL 114 CO 0.47 0.08 0.74 0.47 0.00 0.00 0.00 175.10 176.86 1lm4 n ASP 115 N 4.58 0.88 -4.25 3.32 8.00 -1.26 -4.66 116.55 123.15 1lm4 n ASP 115 Ca -0.15 0.41 -0.43 0.00 0.71 0.00 0.00 54.79 55.33 1lm4 n ASP 115 Cb 0.45 0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.48 1lm4 n ASP 115 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1lm4 s ASP 116 N -5.98 5.91 0.46 -2.24 1.01 -1.26 -5.04 116.67 109.53 1lm4 s ASP 116 Ca -0.04 -1.85 -0.24 0.00 0.71 0.00 0.00 52.55 51.13 1lm4 s ASP 116 Cb 0.08 -2.09 -0.07 0.00 1.01 0.00 0.00 42.92 41.85 1lm4 s ASP 116 CO 0.82 -0.76 1.30 0.20 0.21 0.00 0.00 175.17 176.94 1lm4 s ASN 117 N 3.04 5.96 -0.20 0.27 -0.87 -1.26 -5.01 114.94 116.87 1lm4 s ASN 117 Ca 0.05 2.63 -0.01 0.00 -1.57 0.00 0.00 52.86 53.96 1lm4 s ASN 117 Cb -0.28 -2.63 0.01 0.00 -0.02 0.00 0.00 41.25 38.33 1lm4 s ASN 117 CO 0.01 -1.09 -0.14 -0.69 -2.57 0.00 0.00 177.10 172.62 1lm4 s VAL 118 N -1.33 2.52 0.45 1.60 1.01 -1.26 -5.11 120.40 118.27 1lm4 s VAL 118 Ca 0.63 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1lm4 s VAL 118 Cb -0.37 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 1lm4 s VAL 118 CO 0.46 0.47 1.04 0.00 0.00 0.00 0.00 175.10 177.07 1lm4 s ALA 119 N 1.35 2.96 0.00 5.51 0.00 -1.26 -4.74 121.76 125.58 1lm4 s ALA 119 Ca 0.05 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1lm4 s ALA 119 Cb -0.14 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1lm4 s ALA 119 CO -0.09 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1lm4 n GLY 120 N -0.05 4.73 3.76 0.00 0.00 -1.26 -4.96 105.19 107.40 1lm4 n GLY 120 Ca 0.07 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1lm4 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lm4 s LEU 121 N 0.00 4.50 -0.47 0.99 1.43 0.34 -4.32 118.68 121.16 1lm4 s LEU 121 Ca 0.00 2.30 -0.03 0.00 -1.03 0.00 0.00 54.13 55.37 1lm4 s LEU 121 Cb 0.00 -3.68 0.12 0.00 0.03 0.00 0.00 46.19 42.66 1lm4 s LEU 121 CO 0.00 -0.22 0.27 -0.69 0.23 0.00 0.00 176.35 175.94 1lm4 s VAL 122 N -1.20 3.38 0.04 -1.59 1.01 -1.26 -4.40 120.40 116.38 1lm4 s VAL 122 Ca 0.46 -2.32 -0.30 0.00 0.00 0.00 0.00 61.98 59.82 1lm4 s VAL 122 Cb -0.32 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1lm4 s VAL 122 CO 0.41 -0.74 1.22 -1.00 0.00 0.00 0.00 175.10 174.99 1lm4 s HIS 123 N 0.80 3.35 0.30 5.22 3.76 -1.26 -4.49 115.29 122.97 1lm4 s HIS 123 Ca 0.11 1.25 0.03 0.00 -0.15 0.00 0.00 55.06 56.29 1lm4 s HIS 123 Cb -0.22 -3.44 -0.06 0.00 1.11 0.00 0.00 32.58 29.97 1lm4 s HIS 123 CO -0.04 -1.39 0.08 1.03 -0.85 0.00 0.00 174.74 173.57 1lm4 s ARG 124 N 1.34 1.55 0.07 1.40 0.52 0.33 -4.94 118.95 119.23 1lm4 s ARG 124 Ca 0.59 -1.86 -0.31 0.00 -0.52 0.00 0.00 55.73 53.63 1lm4 s ARG 124 Cb -0.29 -0.57 -0.06 0.00 0.52 0.00 0.00 34.95 34.55 1lm4 s ARG 124 CO 0.28 -0.25 1.26 -1.01 0.02 0.00 0.00 175.30 175.60 1lm4 s HIS 125 N -3.51 3.35 0.24 -0.53 3.76 -1.26 -0.14 115.29 117.21 1lm4 s HIS 125 Ca 0.37 1.18 -0.02 0.00 -0.15 0.00 0.00 55.06 56.43 1lm4 s HIS 125 Cb 0.08 -3.51 0.29 0.00 1.11 0.00 0.00 32.58 30.55 1lm4 s HIS 125 CO 0.15 -1.65 1.69 -0.97 -0.85 0.00 0.00 174.74 173.10 1lm4 h ASN 126 N 6.86 0.70 -4.40 1.40 -1.24 -1.21 -3.43 115.58 114.26 1lm4 h ASN 126 Ca -0.41 -0.22 -0.66 0.00 0.71 0.00 0.00 56.30 55.72 1lm4 h ASN 126 Cb 1.21 -0.19 -0.30 0.00 0.73 0.00 0.00 38.32 39.77 1lm4 h ASN 126 CO 0.83 0.87 -0.87 -0.13 -1.29 0.00 0.00 177.43 176.84 1lm4 s ARG 127 N -4.67 2.02 0.05 6.67 0.52 -1.26 -0.39 118.95 121.88 1lm4 s ARG 127 Ca -0.09 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.22 1lm4 s ARG 127 Cb 0.14 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.71 1lm4 s ARG 127 CO 0.82 0.47 0.12 0.96 0.02 0.00 0.00 175.30 177.68 1lm4 s ILE 128 N -0.45 0.14 -0.10 1.52 -4.36 -0.49 0.19 121.20 117.65 1lm4 s ILE 128 Ca 0.06 -1.13 0.04 0.00 -0.26 0.00 0.00 60.65 59.35 1lm4 s ILE 128 Cb -0.10 -1.02 -0.00 0.00 1.25 0.00 0.00 42.46 42.59 1lm4 s ILE 128 CO 0.00 -0.63 -0.23 -0.89 0.24 0.00 0.00 174.94 173.44 1lm4 s THR 129 N -2.91 2.15 -0.04 8.37 2.01 -0.45 -0.96 115.64 123.81 1lm4 s THR 129 Ca -0.02 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.04 1lm4 s THR 129 Cb 0.01 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1lm4 s THR 129 CO -0.06 0.56 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.62 1lm4 s ILE 130 N 0.35 2.76 -0.09 1.82 1.01 0.18 -0.42 121.20 126.82 1lm4 s ILE 130 Ca -0.18 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1lm4 s ILE 130 Cb -0.18 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 1lm4 s ILE 130 CO 0.09 0.59 -0.09 -0.54 0.00 0.00 0.00 174.94 174.98 1lm4 s LYS 131 N -0.67 2.94 0.34 2.79 1.02 -0.08 -0.24 119.74 125.84 1lm4 s LYS 131 Ca 0.10 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.34 1lm4 s LYS 131 Cb -0.11 -2.60 0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1lm4 s LYS 131 CO 0.00 0.52 0.71 0.00 -0.92 0.00 0.00 175.35 175.67 1lm4 s ALA 132 N -0.43 -0.72 0.13 5.17 0.00 -0.18 -0.82 121.76 124.92 1lm4 s ALA 132 Ca 0.06 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.40 1lm4 s ALA 132 Cb -0.12 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1lm4 s ALA 132 CO 0.02 -0.98 -0.02 0.15 0.00 0.00 0.00 175.76 174.93 1lm4 s LYS 133 N -3.04 2.38 0.49 0.00 -0.14 -0.24 -0.81 119.74 118.37 1lm4 s LYS 133 Ca 0.16 -1.01 -0.02 0.00 -1.36 0.00 0.00 55.97 53.74 1lm4 s LYS 133 Cb -0.05 -2.40 0.10 0.00 -1.68 0.00 0.00 37.83 33.81 1lm4 s LYS 133 CO 0.11 0.49 0.67 -0.40 -0.76 0.00 0.00 175.35 175.46 1lm4 n ASP 134 N 0.26 0.74 0.31 2.83 5.68 0.19 -0.16 116.55 126.40 1lm4 n ASP 134 Ca -0.11 -1.66 0.17 0.00 -0.50 0.00 0.00 54.79 52.69 1lm4 n ASP 134 Cb 0.54 -0.45 0.99 0.00 -1.14 0.00 0.00 41.12 41.06 1lm4 n ASP 134 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1lm4 h ILE 135 N -0.67 0.40 -0.50 2.12 2.10 -1.90 0.86 117.51 119.92 1lm4 h ILE 135 Ca -0.22 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.71 1lm4 h ILE 135 Cb 0.78 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 1lm4 h ILE 135 CO 0.22 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 176.67 1lm4 n GLU 136 N -3.66 2.49 -0.79 2.19 -0.58 -1.26 -4.63 120.64 114.39 1lm4 n GLU 136 Ca -0.03 -2.28 0.00 0.00 -0.42 0.00 0.00 57.16 54.43 1lm4 n GLU 136 Cb 0.08 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 1lm4 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lm4 n GLY 137 N 1.52 0.64 3.87 0.62 0.00 0.30 -4.97 105.19 107.17 1lm4 n GLY 137 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1lm4 n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lm4 s ASN 138 N -2.13 5.81 -0.02 1.61 0.01 -1.26 -4.70 114.94 114.25 1lm4 s ASN 138 Ca 0.00 1.29 -0.21 0.00 -0.71 0.00 0.00 52.86 53.23 1lm4 s ASN 138 Cb 0.00 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.40 1lm4 s ASN 138 CO 0.00 -1.12 0.60 -1.81 -1.51 0.00 0.00 177.10 173.25 1lm4 s ASP 139 N -4.25 6.96 -0.06 -1.22 1.01 -1.26 -0.64 116.67 117.21 1lm4 s ASP 139 Ca 0.57 1.14 0.04 0.00 0.71 0.00 0.00 52.55 55.01 1lm4 s ASP 139 Cb -0.11 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1lm4 s ASP 139 CO 0.53 0.07 -0.18 -0.63 0.21 0.00 0.00 175.17 175.17 1lm4 s ILE 140 N -0.03 1.53 -0.12 0.77 -1.09 0.01 -4.90 121.20 117.36 1lm4 s ILE 140 Ca 0.31 -0.75 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 1lm4 s ILE 140 Cb -0.18 -1.33 0.02 0.00 -1.58 0.00 0.00 42.46 39.39 1lm4 s ILE 140 CO 0.17 0.44 -0.13 -1.58 -1.23 0.00 0.00 174.94 172.61 1lm4 s GLN 141 N 0.24 2.09 -0.07 2.79 0.74 -1.26 -1.01 119.66 123.19 1lm4 s GLN 141 Ca -0.10 -0.49 0.01 0.00 0.05 0.00 0.00 55.36 54.83 1lm4 s GLN 141 Cb -0.14 -1.89 -0.03 0.00 1.10 0.00 0.00 33.01 32.05 1lm4 s GLN 141 CO 0.04 -0.17 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.01 1lm4 s LEU 142 N 1.32 3.06 -0.24 3.68 1.43 0.67 -4.94 118.68 123.66 1lm4 s LEU 142 Ca 0.00 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1lm4 s LEU 142 Cb -0.14 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.44 1lm4 s LEU 142 CO -0.06 0.34 -0.05 -0.13 0.23 0.00 0.00 176.35 176.67 1lm4 s ARG 143 N -0.68 3.04 0.16 1.70 0.52 -1.26 -0.65 118.95 121.77 1lm4 s ARG 143 Ca 0.10 -0.85 0.08 0.00 -0.52 0.00 0.00 55.73 54.55 1lm4 s ARG 143 Cb -0.11 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 1lm4 s ARG 143 CO 0.01 -0.33 -0.18 -0.51 0.02 0.00 0.00 175.30 174.31 1lm4 s LEU 144 N 1.39 2.42 0.02 2.53 1.43 -0.13 -5.00 118.68 121.34 1lm4 s LEU 144 Ca 0.03 -0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 1lm4 s LEU 144 Cb -0.16 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.24 1lm4 s LEU 144 CO -0.04 -0.03 0.16 -1.59 0.23 0.00 0.00 176.35 175.08 1lm4 s LYS 145 N -2.71 0.60 5.73 1.70 -2.85 -1.26 -1.39 119.74 119.57 1lm4 s LYS 145 Ca 0.15 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.57 1lm4 s LYS 145 Cb -0.06 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1lm4 s LYS 145 CO 0.06 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.76 1lm4 n GLY 146 N 1.01 2.45 0.16 0.59 0.00 0.48 -3.55 105.19 106.34 1lm4 n GLY 146 Ca -0.20 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 1lm4 n GLY 146 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1lm4 h TYR 147 N 0.00 0.09 -0.94 1.61 3.20 -1.92 -0.63 116.97 118.39 1lm4 h TYR 147 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1lm4 h TYR 147 Cb 0.00 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 1lm4 h TYR 147 CO 0.00 -0.01 0.61 -1.35 -1.64 0.00 0.00 178.16 175.77 1lm4 h PRO 148 N 0.18 1.13 -0.79 1.82 0.11 -1.97 -0.68 132.00 131.80 1lm4 h PRO 148 Ca 0.19 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 66.29 1lm4 h PRO 148 Cb 0.24 -0.25 -0.06 0.00 0.11 0.00 0.00 31.00 31.03 1lm4 h PRO 148 CO -0.26 0.75 0.47 0.00 -0.21 0.00 0.00 178.00 178.75 1lm4 h ALA 149 N 1.40 1.08 -0.25 -0.75 0.00 -1.21 -1.02 119.26 118.51 1lm4 h ALA 149 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1lm4 h ALA 149 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1lm4 h ALA 149 CO -0.13 0.19 0.13 0.82 0.00 0.00 0.00 179.25 180.26 1lm4 h ILE 150 N 0.87 1.13 -0.26 0.00 2.04 -0.18 -1.27 117.51 119.83 1lm4 h ILE 150 Ca 0.35 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1lm4 h ILE 150 Cb 0.18 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1lm4 h ILE 150 CO -0.18 0.12 0.16 0.58 0.00 0.00 0.00 178.15 178.84 1lm4 h VAL 151 N 0.28 1.05 -0.43 1.67 2.07 -0.81 0.05 116.25 120.14 1lm4 h VAL 151 Ca 0.09 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1lm4 h VAL 151 Cb 0.08 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1lm4 h VAL 151 CO -0.01 0.06 -0.02 -0.26 0.02 0.00 0.00 177.57 177.36 1lm4 h PHE 152 N 0.34 0.74 -0.70 1.57 0.04 -1.08 -1.44 116.94 116.41 1lm4 h PHE 152 Ca 0.10 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1lm4 h PHE 152 Cb -0.03 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 1lm4 h PHE 152 CO -0.07 0.71 0.21 1.96 -0.60 0.00 0.00 178.31 180.52 1lm4 h GLN 153 N 0.65 1.08 -0.48 1.51 4.20 -0.73 0.46 115.11 121.81 1lm4 h GLN 153 Ca 0.13 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1lm4 h GLN 153 Cb 0.43 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1lm4 h GLN 153 CO 0.02 0.93 0.28 1.25 -0.67 0.00 0.00 178.83 180.64 1lm4 h HIS 154 N 1.04 0.64 -0.38 2.96 2.76 -0.34 -0.63 115.15 121.21 1lm4 h HIS 154 Ca 0.23 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.25 1lm4 h HIS 154 Cb 0.31 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1lm4 h HIS 154 CO 0.02 0.46 -0.31 0.93 -1.30 0.00 0.00 177.93 177.74 1lm4 h GLU 155 N 0.64 0.88 -0.53 5.26 4.39 -0.94 -2.95 114.58 121.32 1lm4 h GLU 155 Ca 0.17 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 1lm4 h GLU 155 Cb 0.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1lm4 h GLU 155 CO -0.03 1.08 0.16 0.82 -1.16 0.00 0.00 179.01 179.89 1lm4 h ILE 156 N 0.68 1.21 -0.95 3.13 2.04 -0.80 -1.88 117.51 120.95 1lm4 h ILE 156 Ca 0.07 -0.72 0.12 0.00 1.00 0.00 0.00 64.86 65.32 1lm4 h ILE 156 Cb 0.89 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 1lm4 h ILE 156 CO 0.08 0.27 0.61 0.44 0.00 0.00 0.00 178.15 179.55 1lm4 h ASP 157 N 0.77 0.84 -0.47 1.72 3.32 -0.95 0.58 116.42 122.23 1lm4 h ASP 157 Ca 0.18 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.36 1lm4 h ASP 157 Cb 0.23 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1lm4 h ASP 157 CO -0.01 0.46 0.33 0.45 -1.72 0.00 0.00 179.24 178.75 1lm4 h HIS 158 N 0.91 0.24 0.00 4.55 3.86 -1.21 0.03 115.15 123.53 1lm4 h HIS 158 Ca 0.46 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1lm4 h HIS 158 Cb 0.50 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1lm4 h HIS 158 CO -0.00 0.12 0.00 -0.07 0.86 0.00 0.00 177.93 178.83 1lm4 h LEU 159 N 0.23 0.00 -2.92 2.43 3.38 -0.92 -2.04 115.31 115.46 1lm4 h LEU 159 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1lm4 h LEU 159 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1lm4 h LEU 159 CO -0.04 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.08 1lm4 n ASN 160 N -2.75 3.56 -0.98 -0.43 5.03 -0.13 -0.64 115.26 118.91 1lm4 n ASN 160 Ca 0.01 -2.16 -0.09 0.00 0.87 0.00 0.00 54.58 53.21 1lm4 n ASN 160 Cb 0.29 -0.38 -0.01 0.00 -1.02 0.00 0.00 39.78 38.67 1lm4 n ASN 160 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1lm4 n GLY 161 N 0.80 0.06 3.51 7.41 0.00 -0.77 -4.61 105.19 111.59 1lm4 n GLY 161 Ca 0.18 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1lm4 n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lm4 s VAL 162 N -2.43 3.68 0.24 1.61 1.01 -0.44 -4.60 120.40 119.46 1lm4 s VAL 162 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1lm4 s VAL 162 Cb 0.00 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1lm4 s VAL 162 CO 0.00 0.54 0.17 -0.04 0.00 0.00 0.00 175.10 175.77 1lm4 s MET 163 N -0.06 2.87 0.36 2.72 -1.94 -1.26 -3.44 119.30 118.54 1lm4 s MET 163 Ca 0.00 -1.05 0.05 0.00 -1.71 0.00 0.00 55.69 52.98 1lm4 s MET 163 Cb -0.13 -2.54 0.72 0.00 2.01 0.00 0.00 34.83 34.89 1lm4 s MET 163 CO 0.03 0.41 1.99 0.27 -0.01 0.00 0.00 175.02 177.71 1lm4 h PHE 164 N 1.68 0.74 0.00 -0.03 -5.15 -1.95 -1.18 116.94 111.06 1lm4 h PHE 164 Ca -0.48 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 1lm4 h PHE 164 Cb 1.23 -0.25 0.00 0.00 0.22 0.00 0.00 35.95 37.16 1lm4 h PHE 164 CO 0.57 0.43 0.00 2.48 -2.00 0.00 0.00 178.31 179.79 1lm4 n TYR 165 N -4.46 0.74 0.30 6.09 0.18 -1.26 -1.83 117.16 116.93 1lm4 n TYR 165 Ca 0.08 0.31 0.19 0.00 1.88 0.00 0.00 57.90 60.36 1lm4 n TYR 165 Cb 0.14 -0.99 0.92 0.00 -0.38 0.00 0.00 39.34 39.03 1lm4 n TYR 165 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 1lm4 h ASP 166 N 0.00 0.00 0.88 9.48 3.32 -1.61 -1.62 116.42 126.86 1lm4 h ASP 166 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lm4 h ASP 166 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1lm4 h ASP 166 CO 0.00 0.02 -0.34 1.41 -1.72 0.00 0.00 179.24 178.60 1lm4 n HIS 167 N -3.16 0.31 -2.50 4.55 8.25 -0.76 -4.92 115.22 117.00 1lm4 n HIS 167 Ca -0.01 0.09 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 1lm4 n HIS 167 Cb 0.20 -0.54 -0.03 0.00 1.12 0.00 0.00 29.99 30.74 1lm4 n HIS 167 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1lm4 s ILE 168 N -3.07 4.35 -0.40 1.59 1.01 -0.61 -4.65 121.20 119.41 1lm4 s ILE 168 Ca 0.10 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.13 1lm4 s ILE 168 Cb 0.16 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1lm4 s ILE 168 CO 0.65 0.01 1.29 -0.62 0.00 0.00 0.00 174.94 176.28 1lm4 s ASP 169 N 1.38 6.53 0.52 3.58 -1.08 -1.26 -4.89 116.67 121.45 1lm4 s ASP 169 Ca 0.55 0.83 0.29 0.00 -0.52 0.00 0.00 52.55 53.70 1lm4 s ASP 169 Cb -0.24 -2.54 1.44 0.00 -1.46 0.00 0.00 42.92 40.12 1lm4 s ASP 169 CO 0.22 -1.27 2.05 0.11 0.52 0.00 0.00 175.17 176.79 1lm4 h LYS 170 N 9.84 0.00 -0.00 4.34 1.57 -1.96 -1.61 116.57 128.74 1lm4 h LYS 170 Ca -0.26 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1lm4 h LYS 170 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1lm4 h LYS 170 CO 1.08 0.11 -0.16 -0.91 -0.57 0.00 0.00 179.45 179.00 1lm4 h ASN 171 N 0.00 0.15 -2.33 0.86 2.35 -2.04 -3.39 115.58 111.18 1lm4 h ASN 171 Ca -0.00 -0.77 -0.59 0.00 -0.55 0.00 0.00 56.30 54.39 1lm4 h ASN 171 Cb 0.39 -0.05 -0.40 0.00 0.05 0.00 0.00 38.32 38.32 1lm4 h ASN 171 CO 0.01 0.90 -0.88 1.41 -1.65 0.00 0.00 177.43 177.22 1lm4 n HIS 172 N -4.58 0.83 -0.30 1.19 8.25 -1.21 -4.99 115.22 114.41 1lm4 n HIS 172 Ca -0.10 -3.72 0.02 0.00 -0.26 0.00 0.00 57.72 53.66 1lm4 n HIS 172 Cb 0.46 -0.25 0.15 0.00 1.12 0.00 0.00 29.99 31.47 1lm4 n HIS 172 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1lm4 h PRO 173 N 4.76 0.84 -0.73 -0.41 0.11 -1.51 -2.94 132.00 132.13 1lm4 h PRO 173 Ca 0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1lm4 h PRO 173 Cb 0.83 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1lm4 h PRO 173 CO 0.55 0.55 0.00 1.28 -0.21 0.00 0.00 178.00 180.17 1lm4 n LEU 174 N -4.69 4.08 -4.60 2.35 7.99 -1.26 -0.50 117.00 120.36 1lm4 n LEU 174 Ca 0.13 -2.06 -0.41 0.00 -0.01 0.00 0.00 56.01 53.65 1lm4 n LEU 174 Cb 0.23 -0.50 -0.06 0.00 -0.11 0.00 0.00 43.42 42.97 1lm4 n LEU 174 CO 0.29 0.97 0.46 -1.58 -1.51 0.00 0.00 177.39 176.01 1lm4 s GLN 175 N -1.12 3.89 0.47 3.23 0.74 -1.11 -4.91 119.66 120.86 1lm4 s GLN 175 Ca 0.49 0.37 -0.22 0.00 0.05 0.00 0.00 55.36 56.05 1lm4 s GLN 175 Cb 0.27 -3.74 -0.07 0.00 1.10 0.00 0.00 33.01 30.57 1lm4 s GLN 175 CO 0.32 -0.63 1.17 -2.14 -0.55 0.00 0.00 175.29 173.46 1lm4 s PRO 176 N 2.75 3.67 0.55 1.67 0.02 -1.26 -4.98 135.00 137.42 1lm4 s PRO 176 Ca 0.28 1.78 -0.19 0.00 0.02 0.00 0.00 61.00 62.88 1lm4 s PRO 176 Cb -0.15 -2.35 -0.06 0.00 0.02 0.00 0.00 34.50 31.97 1lm4 s PRO 176 CO 0.12 -0.62 1.15 -1.01 -0.33 0.00 0.00 177.00 176.31 1lm4 s HIS 177 N -1.56 2.62 0.21 6.54 3.76 -1.26 -4.92 115.29 120.68 1lm4 s HIS 177 Ca 0.65 1.54 -0.14 0.00 -0.15 0.00 0.00 55.06 56.96 1lm4 s HIS 177 Cb -0.29 -3.33 0.22 0.00 1.11 0.00 0.00 32.58 30.30 1lm4 s HIS 177 CO 0.34 -1.69 1.63 1.15 -0.85 0.00 0.00 174.74 175.32 1lm4 h THR 178 N 1.17 0.38 0.00 1.30 2.02 -2.02 -0.57 112.91 115.19 1lm4 h THR 178 Ca -0.50 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 1lm4 h THR 178 Cb 1.27 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1lm4 h THR 178 CO 0.57 0.00 -0.35 -2.24 0.37 0.00 0.00 175.52 173.87 1lm4 h ASP 179 N -0.00 0.00 -3.85 4.18 2.03 -1.96 -3.47 116.42 113.34 1lm4 h ASP 179 Ca 0.29 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 56.04 1lm4 h ASP 179 Cb 0.45 0.00 0.13 0.00 -0.83 0.00 0.00 39.33 39.08 1lm4 h ASP 179 CO -0.63 0.35 0.61 0.00 -1.03 0.00 0.00 179.24 178.53 1lm4 n ALA 180 N -2.25 1.71 -2.38 4.15 0.00 -0.22 -4.63 120.51 116.89 1lm4 n ALA 180 Ca 0.01 0.23 -0.32 0.00 0.00 0.00 0.00 53.44 53.36 1lm4 n ALA 180 Cb 0.54 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.49 1lm4 n ALA 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1lm4 s VAL 181 N -1.22 2.47 0.08 0.00 -7.23 -0.19 -4.85 120.40 109.45 1lm4 s VAL 181 Ca 0.63 -1.01 -0.31 0.00 -1.81 0.00 0.00 61.98 59.49 1lm4 s VAL 181 Cb -0.46 -1.92 -0.06 0.00 0.56 0.00 0.00 36.38 34.50 1lm4 s VAL 181 CO 0.56 0.55 1.22 -0.70 -0.31 0.00 0.00 175.10 176.42 1lm4 s GLU 182 N -0.77 4.42 0.00 4.82 2.12 -1.26 -1.67 118.70 126.36 1lm4 s GLU 182 Ca 0.11 1.82 0.31 0.00 0.36 0.00 0.00 54.97 57.56 1lm4 s GLU 182 Cb -0.10 -3.32 1.60 0.00 0.26 0.00 0.00 34.13 32.57 1lm4 s GLU 182 CO 0.00 -0.26 2.06 0.28 -0.54 0.00 0.00 175.26 176.80