#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4f n ASP 26 N 0.00 1.14 -3.74 0.00 3.85 -1.06 -4.93 116.55 111.81 3g4f n ASP 26 Ca 0.00 -2.93 -0.41 0.00 -0.71 0.00 0.00 54.79 50.74 3g4f n ASP 26 Cb 0.00 -0.64 -0.02 0.00 -1.35 0.00 0.00 41.12 39.11 3g4f n ASP 26 CO 0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.20 178.41 3g4f n PHE 27 N 1.00 -0.48 -4.98 2.11 1.16 0.36 -4.70 117.46 111.93 3g4f n PHE 27 Ca 0.24 0.81 0.00 0.00 -1.87 0.00 0.00 57.45 56.63 3g4f n PHE 27 Cb 0.53 -1.66 0.00 0.00 -1.61 0.00 0.00 39.48 36.74 3g4f n PHE 27 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3g4f n GLN 28 N 0.86 0.00 -3.73 3.97 3.00 -0.38 -5.02 117.38 116.09 3g4f n GLN 28 Ca 0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.93 3g4f n GLN 28 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.42 3g4f n GLN 28 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3g4f s PRO 29 N 0.00 2.61 0.48 -1.09 0.05 -1.26 -4.59 135.00 131.20 3g4f s PRO 29 Ca 0.00 -1.42 -0.23 0.00 0.05 0.00 0.00 61.00 59.39 3g4f s PRO 29 Cb 0.00 -2.41 -0.07 0.00 0.05 0.00 0.00 34.50 32.07 3g4f s PRO 29 CO 0.00 -0.03 1.33 0.45 0.05 0.00 0.00 177.00 178.80 3g4f s SER 30 N -4.04 5.75 0.00 6.66 0.15 -1.26 -4.72 113.70 116.24 3g4f s SER 30 Ca 0.44 2.69 0.18 0.00 0.70 0.00 0.00 55.95 59.96 3g4f s SER 30 Cb -0.04 -2.63 0.85 0.00 -1.71 0.00 0.00 66.02 62.49 3g4f s SER 30 CO 0.27 -1.24 1.53 2.30 1.20 0.00 0.00 173.24 177.30 3g4f n ILE 31 N -0.54 0.56 0.85 6.45 -5.35 -1.26 -2.97 119.36 117.10 3g4f n ILE 31 Ca 0.07 0.14 0.12 0.00 -0.27 0.00 0.00 62.75 62.81 3g4f n ILE 31 Cb 0.45 -0.85 0.13 0.00 -1.74 0.00 0.00 39.64 37.63 3g4f n ILE 31 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3g4f n TRP 32 N -1.33 0.12 0.00 4.28 7.02 -1.26 -5.02 117.44 121.25 3g4f n TRP 32 Ca 0.07 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.59 3g4f n TRP 32 Cb 0.15 -0.30 0.00 0.00 -2.42 0.00 0.00 31.31 28.75 3g4f n TRP 32 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3g4f n GLY 33 N 1.45 3.33 1.19 6.99 0.00 -1.16 -2.09 105.19 114.90 3g4f n GLY 33 Ca 0.04 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3g4f n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g4f n ASP 34 N 4.06 4.25 -0.34 1.61 8.00 -1.26 -4.65 116.55 128.22 3g4f n ASP 34 Ca 0.00 -2.69 0.17 0.00 0.71 0.00 0.00 54.79 52.98 3g4f n ASP 34 Cb 0.00 -0.52 0.39 0.00 -0.02 0.00 0.00 41.12 40.96 3g4f n ASP 34 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3g4f h LEU 35 N 2.77 0.67 -0.88 0.64 7.12 -1.85 -2.42 115.31 121.37 3g4f h LEU 35 Ca 0.00 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.12 3g4f h LEU 35 Cb 1.41 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 3g4f h LEU 35 CO 0.23 0.16 -0.52 0.49 -0.13 0.00 0.00 178.44 178.67 3g4f n PHE 36 N -4.80 0.00 0.22 1.25 3.72 -1.26 -4.61 117.46 111.97 3g4f n PHE 36 Ca 0.25 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.50 3g4f n PHE 36 Cb 0.71 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.17 3g4f n PHE 36 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3g4f h LEU 37 N 2.10 -0.58-10.09 4.37 6.46 -1.76 -3.34 115.31 112.47 3g4f h LEU 37 Ca 0.00 0.04 -0.47 0.00 -0.12 0.00 0.00 57.88 57.33 3g4f h LEU 37 Cb 0.70 0.18 0.02 0.00 -0.73 0.00 0.00 40.66 40.83 3g4f h LEU 37 CO 0.00 -0.36 0.38 0.20 -0.62 0.00 0.00 178.44 178.04 3g4f s ASN 38 N -4.71 6.37 0.34 1.25 0.01 -1.26 -4.69 114.94 112.25 3g4f s ASN 38 Ca -0.16 1.88 -0.28 0.00 -0.71 0.00 0.00 52.86 53.59 3g4f s ASN 38 Cb 0.05 -2.55 -0.12 0.00 0.41 0.00 0.00 41.25 39.04 3g4f s ASN 38 CO 0.64 -0.76 1.29 0.00 -1.51 0.00 0.00 177.10 176.76 3g4f n PRO 40 N 0.58 1.39 0.00 0.00 -0.02 -1.26 -5.11 135.00 130.58 3g4f n PRO 40 Ca 0.05 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3g4f n PRO 40 Cb 0.36 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3g4f n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3g4f n ASP 41 N -0.52 0.00 -3.20 2.55 9.92 -1.26 -5.05 116.55 118.99 3g4f n ASP 41 Ca 0.11 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.41 3g4f n ASP 41 Cb 0.44 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.90 3g4f n ASP 41 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3g4f s ASP 45 N -0.33 -0.77 0.39 -2.24 -1.08 -1.26 -5.23 116.67 106.15 3g4f s ASP 45 Ca 0.00 0.58 0.16 0.00 -0.52 0.00 0.00 52.55 52.76 3g4f s ASP 45 Cb 0.00 1.68 0.80 0.00 -1.46 0.00 0.00 42.92 43.94 3g4f s ASP 45 CO 0.00 -0.14 1.83 0.00 0.52 0.00 0.00 175.17 177.38 3g4f h ALA 46 N 7.92 1.28 -0.18 3.66 0.00 -2.06 -2.60 119.26 127.28 3g4f h ALA 46 Ca -0.17 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.47 3g4f h ALA 46 Cb 1.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3g4f h ALA 46 CO 0.04 0.44 -0.09 1.49 0.00 0.00 0.00 179.25 181.12 3g4f h GLU 47 N 0.00 -0.08 0.00 0.00 4.57 -2.05 -1.81 114.58 115.21 3g4f h GLU 47 Ca -0.00 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 3g4f h GLU 47 Cb 0.68 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 3g4f h GLU 47 CO 0.05 -0.05 -0.32 0.00 -1.18 0.00 0.00 179.01 177.51 3g4f h THR 48 N -0.08 1.03 -0.31 0.32 1.03 -1.90 -0.48 112.91 112.52 3g4f h THR 48 Ca 0.10 -1.17 -0.08 0.00 -0.01 0.00 0.00 66.41 65.25 3g4f h THR 48 Cb 0.23 1.67 -0.02 0.00 -1.07 0.00 0.00 68.15 68.96 3g4f h THR 48 CO -0.23 0.31 -0.14 -0.33 -0.01 0.00 0.00 175.52 175.11 3g4f h GLU 49 N 0.00 0.53 -0.37 0.00 5.08 -1.25 -0.12 114.58 118.46 3g4f h GLU 49 Ca -0.00 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.04 3g4f h GLU 49 Cb 0.64 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3g4f h GLU 49 CO 0.04 0.67 -0.38 0.87 -1.00 0.00 0.00 179.01 179.21 3g4f h LYS 50 N 0.49 0.89 -0.03 2.33 1.57 -0.33 -1.57 116.57 119.92 3g4f h LYS 50 Ca 0.09 -0.46 0.03 0.00 -1.87 0.00 0.00 60.65 58.43 3g4f h LYS 50 Cb 0.54 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 3g4f h LYS 50 CO 0.03 1.11 -0.52 -0.09 -0.57 0.00 0.00 179.45 179.42 3g4f h ARG 51 N 0.73 -0.61 -0.27 3.15 9.65 -0.89 -1.81 114.38 124.33 3g4f h ARG 51 Ca 0.06 0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.04 3g4f h ARG 51 Cb 0.96 0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 29.61 3g4f h ARG 51 CO 0.09 -0.41 -0.45 1.25 2.80 0.00 0.00 179.97 183.25 3g4f h HIS 52 N -0.64 -1.31 -0.93 2.20 2.76 -0.79 0.31 115.15 116.75 3g4f h HIS 52 Ca 0.03 0.06 0.16 0.00 -2.20 0.00 0.00 60.37 58.42 3g4f h HIS 52 Cb 0.71 0.61 -0.08 0.00 1.55 0.00 0.00 27.41 30.20 3g4f h HIS 52 CO -0.52 -0.47 0.59 0.37 -1.30 0.00 0.00 177.93 176.61 3g4f h GLN 53 N -0.43 0.66 0.03 5.26 4.15 -1.12 -1.39 115.11 122.27 3g4f h GLN 53 Ca 0.10 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 3g4f h GLN 53 Cb 0.61 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 28.16 3g4f h GLN 53 CO -0.49 0.44 -0.28 0.37 -1.93 0.00 0.00 178.83 176.93 3g4f h GLN 54 N 0.68 0.14 -0.49 1.69 4.15 0.02 -3.11 115.11 118.20 3g4f h GLN 54 Ca 0.48 -0.19 0.14 0.00 0.77 0.00 0.00 58.65 59.86 3g4f h GLN 54 Cb 0.83 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 3g4f h GLN 54 CO -0.24 1.00 0.38 -0.07 -1.93 0.00 0.00 178.83 177.97 3g4f h LEU 55 N -0.63 0.00 -0.15 -2.39 3.38 -0.22 -2.21 115.31 113.09 3g4f h LEU 55 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3g4f h LEU 55 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3g4f h LEU 55 CO 0.05 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 179.06 3g4f h LYS 56 N 0.00 0.28 -0.51 1.13 3.64 -1.19 0.11 116.57 120.03 3g4f h LYS 56 Ca 0.23 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 3g4f h LYS 56 Cb 0.98 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3g4f h LYS 56 CO -0.00 0.55 0.05 0.93 -2.27 0.00 0.00 179.45 178.71 3g4f h GLU 57 N -0.01 0.83 0.50 1.90 4.39 -1.43 0.06 114.58 120.82 3g4f h GLU 57 Ca 0.04 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 3g4f h GLU 57 Cb 0.44 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3g4f h GLU 57 CO 0.01 0.80 -0.31 0.93 -1.16 0.00 0.00 179.01 179.28 3g4f h GLU 58 N 0.78 -0.74 -1.00 2.33 5.08 -1.04 -1.31 114.58 118.68 3g4f h GLU 58 Ca 0.16 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.68 3g4f h GLU 58 Cb 0.40 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 3g4f h GLU 58 CO 0.01 -0.49 0.64 0.28 -1.00 0.00 0.00 179.01 178.44 3g4f h VAL 59 N -0.77 0.96 -0.52 3.13 2.07 -0.63 -1.01 116.25 119.49 3g4f h VAL 59 Ca -0.06 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.20 3g4f h VAL 59 Cb 0.63 -0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.16 3g4f h VAL 59 CO 0.06 0.19 0.07 -0.09 0.02 0.00 0.00 177.57 177.82 3g4f h ARG 60 N 1.03 0.20 -0.03 1.57 2.43 -0.40 -2.61 114.38 116.57 3g4f h ARG 60 Ca 0.48 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.47 3g4f h ARG 60 Cb 0.41 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3g4f h ARG 60 CO -0.24 0.13 -0.73 0.87 -1.51 0.00 0.00 179.97 178.49 3g4f h LYS 61 N 0.20 0.19 0.00 0.20 1.57 -0.10 -1.71 116.57 116.92 3g4f h LYS 61 Ca 0.26 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3g4f h LYS 61 Cb 0.38 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3g4f h LYS 61 CO -0.37 0.83 0.00 -1.33 -0.57 0.00 0.00 179.45 178.01 3g4f n MET 62 N -3.76 0.13 0.01 3.15 2.81 -0.50 -0.91 117.12 118.04 3g4f n MET 62 Ca -0.03 0.37 -0.21 0.00 -1.81 0.00 0.00 57.70 56.02 3g4f n MET 62 Cb 0.70 -1.75 -0.14 0.00 -0.71 0.00 0.00 33.22 31.33 3g4f n MET 62 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3g4f h ILE 63 N 0.00 1.06 -0.02 2.02 2.04 -1.00 -3.36 117.51 118.25 3g4f h ILE 63 Ca 0.00 -2.40 -0.14 0.00 1.00 0.00 0.00 64.86 63.32 3g4f h ILE 63 Cb 0.32 2.73 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 3g4f h ILE 63 CO 0.00 0.70 -0.62 0.58 0.00 0.00 0.00 178.15 178.80 3g4f h VAL 64 N -0.33 1.43 -4.07 1.67 2.07 -1.37 -3.46 116.25 112.19 3g4f h VAL 64 Ca -0.29 -2.10 -0.46 0.00 0.82 0.00 0.00 66.70 64.66 3g4f h VAL 64 Cb 1.74 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 33.63 3g4f h VAL 64 CO 0.06 0.61 0.32 0.00 0.02 0.00 0.00 177.57 178.57 3g4f s ALA 65 N -3.63 3.10 0.62 1.67 0.00 -0.09 -5.01 121.76 118.42 3g4f s ALA 65 Ca -0.02 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 3g4f s ALA 65 Cb 0.12 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 3g4f s ALA 65 CO 0.77 -0.05 1.17 -2.14 0.00 0.00 0.00 175.76 175.51 3g4f s PRO 66 N -3.67 2.89 0.48 0.00 0.02 -1.26 -4.88 135.00 128.58 3g4f s PRO 66 Ca 0.59 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3g4f s PRO 66 Cb -0.10 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.49 3g4f s PRO 66 CO 0.24 -1.23 0.01 -1.33 -0.33 0.00 0.00 177.00 174.36 3g4f n MET 67 N -1.88 0.85 -0.33 5.54 2.81 -1.26 -5.04 117.12 117.82 3g4f n MET 67 Ca 0.12 -3.45 0.11 0.00 -1.81 0.00 0.00 57.70 52.67 3g4f n MET 67 Cb 0.51 0.91 0.32 0.00 -0.71 0.00 0.00 33.22 34.24 3g4f n MET 67 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g4f h ALA 68 N 1.23 1.69 -3.00 3.04 0.00 -1.97 -3.45 119.26 116.80 3g4f h ALA 68 Ca -0.39 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3g4f h ALA 68 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3g4f h ALA 68 CO 0.65 0.03 0.25 0.54 0.00 0.00 0.00 179.25 180.72 3g4f s ASN 69 N -5.65 0.06 0.29 0.00 6.03 -1.26 -5.04 114.94 109.38 3g4f s ASN 69 Ca -0.11 -1.18 -0.01 0.00 -1.03 0.00 0.00 52.86 50.53 3g4f s ASN 69 Cb 0.23 0.85 0.48 0.00 -3.03 0.00 0.00 41.25 39.78 3g4f s ASN 69 CO 0.80 -1.69 1.93 0.28 -2.03 0.00 0.00 177.10 176.39 3g4f h SER 70 N 2.00 0.95 -0.90 3.54 0.02 -2.00 -1.99 113.55 115.17 3g4f h SER 70 Ca -0.32 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3g4f h SER 70 Cb 1.25 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 3g4f h SER 70 CO 0.41 0.63 0.57 0.74 -1.14 0.00 0.00 176.83 178.04 3g4f h THR 71 N 1.09 1.24 -0.17 -2.27 2.02 -1.97 0.13 112.91 112.98 3g4f h THR 71 Ca 0.37 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 3g4f h THR 71 Cb 0.08 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 3g4f h THR 71 CO -0.12 0.25 -0.35 1.56 0.37 0.00 0.00 175.52 177.23 3g4f h GLN 72 N 1.24 0.54 -0.88 6.66 4.20 -1.77 0.51 115.11 125.61 3g4f h GLN 72 Ca 0.33 -0.35 0.13 0.00 0.06 0.00 0.00 58.65 58.81 3g4f h GLN 72 Cb -0.09 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.65 3g4f h GLN 72 CO -0.07 0.96 0.50 -0.22 -0.67 0.00 0.00 178.83 179.33 3g4f h LYS 73 N 0.19 0.73 0.21 1.46 1.63 -1.19 -0.54 116.57 119.07 3g4f h LYS 73 Ca 0.01 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3g4f h LYS 73 Cb 0.95 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 3g4f h LYS 73 CO 0.08 0.49 -0.10 -0.07 -3.45 0.00 0.00 179.45 176.39 3g4f h LEU 74 N 0.76 -0.24 -0.97 5.20 3.38 -0.56 -1.75 115.31 121.13 3g4f h LEU 74 Ca 0.46 -0.13 0.20 0.00 0.09 0.00 0.00 57.88 58.49 3g4f h LEU 74 Cb 0.55 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.25 3g4f h LEU 74 CO -0.31 -0.01 0.56 0.00 0.09 0.00 0.00 178.44 178.78 3g4f h ALA 75 N 0.28 1.62 -0.25 1.53 0.00 -0.57 -0.84 119.26 121.04 3g4f h ALA 75 Ca -0.03 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3g4f h ALA 75 Cb 0.36 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3g4f h ALA 75 CO 0.05 -0.14 -0.29 0.35 0.00 0.00 0.00 179.25 179.22 3g4f h PHE 76 N 0.66 0.77 -0.82 0.00 3.57 -0.82 -1.14 116.94 119.16 3g4f h PHE 76 Ca 0.58 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 3g4f h PHE 76 Cb 0.96 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 3g4f h PHE 76 CO -0.03 0.98 0.37 0.82 -2.23 0.00 0.00 178.31 178.22 3g4f h ILE 77 N 0.35 1.26 -0.61 1.41 2.04 -0.82 -0.71 117.51 120.43 3g4f h ILE 77 Ca 0.03 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 65.21 3g4f h ILE 77 Cb 0.87 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 3g4f h ILE 77 CO 0.07 0.32 0.28 -0.78 0.00 0.00 0.00 178.15 178.04 3g4f h ASP 78 N 1.18 0.36 -0.32 1.72 3.58 -0.85 -0.07 116.42 122.03 3g4f h ASP 78 Ca 0.28 0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.64 3g4f h ASP 78 Cb 0.15 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 3g4f h ASP 78 CO -0.03 0.22 -0.32 0.28 -2.88 0.00 0.00 179.24 176.52 3g4f h SER 79 N 0.51 0.88 -0.75 2.28 0.02 -0.49 0.21 113.55 116.20 3g4f h SER 79 Ca 0.29 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3g4f h SER 79 Cb 0.28 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3g4f h SER 79 CO -0.24 1.12 0.45 0.58 -1.14 0.00 0.00 176.83 177.60 3g4f h VAL 80 N 0.71 1.22 -0.11 2.27 2.07 -0.24 0.15 116.25 122.31 3g4f h VAL 80 Ca 0.08 -0.49 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 3g4f h VAL 80 Cb 0.87 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3g4f h VAL 80 CO 0.08 0.23 -0.47 1.56 0.02 0.00 0.00 177.57 178.99 3g4f h GLN 81 N 1.05 0.52 0.00 1.57 4.20 -0.50 -2.90 115.11 119.06 3g4f h GLN 81 Ca 0.27 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3g4f h GLN 81 Cb -0.02 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3g4f h GLN 81 CO -0.05 1.03 -0.02 0.00 -0.67 0.00 0.00 178.83 179.12 3g4f h ARG 82 N 0.12 0.00 -0.03 1.46 3.08 -0.14 -2.70 114.38 116.18 3g4f h ARG 82 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3g4f h ARG 82 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3g4f h ARG 82 CO 0.10 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.30 3g4f n LEU 83 N -3.11 0.87 0.00 3.04 4.77 0.50 -3.73 117.00 119.33 3g4f n LEU 83 Ca 0.01 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3g4f n LEU 83 Cb 0.38 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3g4f n LEU 83 CO 0.29 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3g4f n GLY 84 N 1.07 0.55 0.06 -0.72 0.00 -1.02 -4.89 105.19 100.24 3g4f n GLY 84 Ca 0.20 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.82 3g4f n GLY 84 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3g4f n VAL 85 N -2.81 1.28 0.30 1.61 0.24 -1.11 -4.70 118.33 113.14 3g4f n VAL 85 Ca 0.00 -1.45 0.18 0.00 -2.04 0.00 0.00 64.34 61.03 3g4f n VAL 85 Cb 0.00 0.20 0.88 0.00 -1.47 0.00 0.00 33.84 33.45 3g4f n VAL 85 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3g4f h SER 86 N 0.00 0.00 0.10 -1.34 4.64 -1.78 -2.94 113.55 112.23 3g4f h SER 86 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g4f h SER 86 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3g4f h SER 86 CO 0.00 0.03 -0.00 0.10 -0.87 0.00 0.00 176.83 176.09 3g4f h TYR 87 N 0.00 0.00 0.00 4.77 -0.00 -1.91 -0.60 116.97 119.23 3g4f h TYR 87 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3g4f h TYR 87 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.03 3g4f h TYR 87 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 178.16 178.61 3g4f h HIS 88 N 0.00 0.00 -0.17 0.10 3.86 -1.90 -3.37 115.15 113.67 3g4f h HIS 88 Ca -0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 3g4f h HIS 88 Cb 0.05 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.20 3g4f h HIS 88 CO 0.00 0.00 -0.93 1.19 0.86 0.00 0.00 177.93 179.05 3g4f n PHE 89 N -2.90 0.55 0.09 2.45 3.72 -0.25 -4.89 117.46 116.23 3g4f n PHE 89 Ca 0.03 -1.24 -0.12 0.00 -0.05 0.00 0.00 57.45 56.07 3g4f n PHE 89 Cb 0.41 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 3g4f n PHE 89 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3g4f h THR 90 N 5.01 0.66 -0.70 4.37 2.02 -1.69 -1.06 112.91 121.51 3g4f h THR 90 Ca -0.11 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 3g4f h THR 90 Cb 1.54 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 3g4f h THR 90 CO 0.16 0.00 0.20 0.50 0.37 0.00 0.00 175.52 176.75 3g4f h LYS 91 N -0.29 1.09 -0.13 6.66 1.63 -1.91 -1.48 116.57 122.14 3g4f h LYS 91 Ca 0.02 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.55 3g4f h LYS 91 Cb 0.31 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3g4f h LYS 91 CO -0.08 0.94 -0.04 0.93 -3.45 0.00 0.00 179.45 177.75 3g4f h GLU 92 N 1.05 0.25 -0.14 1.90 3.07 -1.89 -1.86 114.58 116.96 3g4f h GLU 92 Ca 0.23 -0.10 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3g4f h GLU 92 Cb 0.32 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 3g4f h GLU 92 CO -0.00 0.56 0.04 0.82 -1.40 0.00 0.00 179.01 179.02 3g4f h ILE 93 N -0.07 0.95 -0.28 3.13 2.04 -1.18 -2.65 117.51 119.46 3g4f h ILE 93 Ca 0.03 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3g4f h ILE 93 Cb 0.47 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 3g4f h ILE 93 CO 0.01 0.02 -0.31 -0.08 0.00 0.00 0.00 178.15 177.80 3g4f h GLU 94 N 0.10 -0.29 -0.98 2.37 4.57 -1.19 -1.58 114.58 117.59 3g4f h GLU 94 Ca 0.06 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.43 3g4f h GLU 94 Cb 0.04 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.61 3g4f h GLU 94 CO -0.07 -0.19 0.61 -0.44 -1.18 0.00 0.00 179.01 177.74 3g4f h ASP 95 N -0.30 0.75 -0.07 1.04 3.32 -1.12 -0.23 116.42 119.82 3g4f h ASP 95 Ca 0.14 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3g4f h ASP 95 Cb 0.53 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3g4f h ASP 95 CO -0.45 0.31 0.02 -0.08 -1.72 0.00 0.00 179.24 177.32 3g4f h GLU 96 N 0.76 0.10 -0.53 3.56 4.57 -1.00 -2.36 114.58 119.68 3g4f h GLU 96 Ca 0.54 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.69 3g4f h GLU 96 Cb 0.84 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 3g4f h GLU 96 CO -0.31 0.30 0.32 -0.07 -1.18 0.00 0.00 179.01 178.07 3g4f h LEU 97 N -0.11 0.64 -0.25 1.64 3.38 -0.59 -1.34 115.31 118.68 3g4f h LEU 97 Ca 0.02 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3g4f h LEU 97 Cb 0.24 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3g4f h LEU 97 CO 0.00 0.50 -0.17 -0.08 0.09 0.00 0.00 178.44 178.79 3g4f h GLU 98 N 0.72 -0.14 0.02 1.13 4.81 -1.05 -1.07 114.58 118.99 3g4f h GLU 98 Ca 0.19 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3g4f h GLU 98 Cb -0.02 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 3g4f h GLU 98 CO -0.04 -0.09 -0.36 -0.91 -0.73 0.00 0.00 179.01 176.88 3g4f h ASN 99 N -0.15 -1.08 -0.78 1.04 4.21 -0.86 -0.97 115.58 117.00 3g4f h ASN 99 Ca 0.14 0.13 0.23 0.00 1.21 0.00 0.00 56.30 58.01 3g4f h ASN 99 Cb 0.36 0.43 -0.03 0.00 -1.12 0.00 0.00 38.32 37.96 3g4f h ASN 99 CO -0.35 -0.42 0.57 0.40 -1.29 0.00 0.00 177.43 176.35 3g4f h ILE 100 N -0.53 0.58 0.02 2.81 2.04 -1.04 -0.45 117.51 120.94 3g4f h ILE 100 Ca 0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 3g4f h ILE 100 Cb 0.60 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3g4f h ILE 100 CO -0.28 0.00 -0.01 0.22 0.00 0.00 0.00 178.15 178.08 3g4f h TYR 101 N 0.00 -0.02 0.00 1.37 3.20 0.10 -3.28 116.97 118.34 3g4f h TYR 101 Ca 0.37 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.24 3g4f h TYR 101 Cb 1.51 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.79 3g4f h TYR 101 CO 0.00 0.73 0.00 0.72 -1.64 0.00 0.00 178.16 177.97 3g4f n HIS 102 N -4.72 0.00 -3.39 -3.82 8.25 -0.70 -4.13 115.22 106.72 3g4f n HIS 102 Ca -0.09 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.11 3g4f n HIS 102 Cb 0.37 -0.19 -0.09 0.00 1.12 0.00 0.00 29.99 31.20 3g4f n HIS 102 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3g4f n ASN 103 N -1.19 0.06 -3.88 0.41 3.02 -0.21 -5.07 115.26 108.40 3g4f n ASN 103 Ca 0.13 -2.54 -0.19 0.00 -0.03 0.00 0.00 54.58 51.96 3g4f n ASN 103 Cb 0.15 -0.59 -0.16 0.00 -0.61 0.00 0.00 39.78 38.57 3g4f n ASN 103 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3g4f s ASN 104 N -0.42 0.74 -0.78 6.41 2.47 -1.26 -4.70 114.94 117.40 3g4f s ASN 104 Ca 0.33 -0.09 -0.16 0.00 0.42 0.00 0.00 52.86 53.36 3g4f s ASN 104 Cb 0.07 -0.34 0.17 0.00 -1.45 0.00 0.00 41.25 39.69 3g4f s ASN 104 CO -0.17 -0.06 0.80 0.21 -3.72 0.00 0.00 177.10 174.17 3g4f s ASN 105 N 0.83 6.58 0.57 -4.21 2.47 -1.26 -4.89 114.94 115.03 3g4f s ASN 105 Ca -0.10 -2.26 0.28 0.00 0.42 0.00 0.00 52.86 51.20 3g4f s ASN 105 Cb -0.13 -2.26 1.48 0.00 -1.45 0.00 0.00 41.25 38.89 3g4f s ASN 105 CO -0.00 -0.79 1.96 -0.78 -3.72 0.00 0.00 177.10 173.76 3g4f h ASP 106 N 8.35 0.00 -3.95 -4.21 3.58 -2.00 -3.33 116.42 114.85 3g4f h ASP 106 Ca 0.01 0.00 -0.71 0.00 0.42 0.00 0.00 57.03 56.75 3g4f h ASP 106 Cb 1.05 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 41.77 3g4f h ASP 106 CO 0.91 0.00 -0.33 0.00 -2.88 0.00 0.00 179.24 176.95 3g4f s ALA 107 N -4.78 3.58 -0.04 -0.78 0.00 -1.26 -2.72 121.76 115.77 3g4f s ALA 107 Ca -0.05 -3.13 -0.21 0.00 0.00 0.00 0.00 51.96 48.58 3g4f s ALA 107 Cb 0.17 -2.76 0.04 0.00 0.00 0.00 0.00 23.12 20.58 3g4f s ALA 107 CO 0.63 -2.08 0.45 -1.83 0.00 0.00 0.00 175.76 172.94 3g4f s GLU 108 N 0.22 0.80 0.31 0.00 -1.05 -1.25 -5.21 118.70 112.52 3g4f s GLU 108 Ca 0.15 0.03 0.06 0.00 -0.15 0.00 0.00 54.97 55.06 3g4f s GLU 108 Cb -0.20 0.37 -0.02 0.00 -0.44 0.00 0.00 34.13 33.84 3g4f s GLU 108 CO -0.04 -0.23 0.40 -0.80 0.95 0.00 0.00 175.26 175.54 3g4f s ASN 109 N -1.18 5.94 0.69 0.83 0.01 -1.10 -5.11 114.94 115.01 3g4f s ASN 109 Ca -0.12 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 3g4f s ASN 109 Cb -0.03 -1.37 0.00 0.00 0.41 0.00 0.00 41.25 40.26 3g4f s ASN 109 CO 0.06 -0.30 0.00 -0.90 -1.51 0.00 0.00 177.10 174.45 3g4f n ASP 110 N -1.52 -1.02 0.10 -1.22 3.85 -1.26 -4.73 116.55 110.76 3g4f n ASP 110 Ca -0.03 -0.19 -0.05 0.00 -0.71 0.00 0.00 54.79 53.81 3g4f n ASP 110 Cb 0.58 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.39 3g4f n ASP 110 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3g4f h LEU 111 N 0.00 0.12 0.32 -2.12 5.85 -1.99 -2.72 115.31 114.77 3g4f h LEU 111 Ca 0.00 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3g4f h LEU 111 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3g4f h LEU 111 CO 0.00 0.86 -0.15 0.22 -0.34 0.00 0.00 178.44 179.02 3g4f h TYR 112 N 0.05 -0.40 -0.93 1.25 3.20 -1.88 -1.54 116.97 116.72 3g4f h TYR 112 Ca -0.02 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.04 3g4f h TYR 112 Cb 1.39 0.13 -0.11 0.00 1.54 0.00 0.00 36.73 39.68 3g4f h TYR 112 CO 0.01 -0.25 0.50 1.15 -1.64 0.00 0.00 178.16 177.94 3g4f h THR 113 N -1.01 0.62 -0.06 1.81 2.02 -1.92 -1.38 112.91 112.99 3g4f h THR 113 Ca -0.04 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3g4f h THR 113 Cb 0.33 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3g4f h THR 113 CO 0.07 0.11 -0.02 0.74 0.37 0.00 0.00 175.52 176.79 3g4f h THR 114 N 0.60 1.31 0.36 3.16 2.02 -1.49 -2.48 112.91 116.39 3g4f h THR 114 Ca 0.56 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3g4f h THR 114 Cb 0.94 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 3g4f h THR 114 CO -0.43 0.27 -0.28 0.28 0.37 0.00 0.00 175.52 175.72 3g4f h SER 115 N -0.26 -0.74 -0.24 4.18 0.02 -0.78 -0.02 113.55 115.72 3g4f h SER 115 Ca 0.01 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3g4f h SER 115 Cb 0.44 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3g4f h SER 115 CO 0.01 -0.42 0.01 -0.29 -1.14 0.00 0.00 176.83 174.99 3g4f h ILE 116 N -0.64 1.19 -0.23 3.27 2.10 -1.35 0.27 117.51 122.13 3g4f h ILE 116 Ca -0.03 -0.76 -0.15 0.00 1.08 0.00 0.00 64.86 65.00 3g4f h ILE 116 Cb 0.56 0.92 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 3g4f h ILE 116 CO -0.01 0.26 -0.46 -0.09 -1.08 0.00 0.00 178.15 176.77 3g4f h ARG 117 N 0.51 0.58 -0.17 2.19 2.43 -1.28 -0.42 114.38 118.23 3g4f h ARG 117 Ca 0.11 -0.33 -0.13 0.00 -0.81 0.00 0.00 59.98 58.82 3g4f h ARG 117 Cb 0.31 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3g4f h ARG 117 CO 0.01 0.93 -0.42 0.35 -1.51 0.00 0.00 179.97 179.33 3g4f h PHE 118 N 0.47 0.74 0.44 2.20 3.57 -0.25 -2.15 116.94 121.96 3g4f h PHE 118 Ca 0.03 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 3g4f h PHE 118 Cb 0.99 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.60 3g4f h PHE 118 CO 0.04 1.04 -0.21 -0.09 -2.23 0.00 0.00 178.31 176.86 3g4f h ARG 119 N 0.23 -0.57 -0.75 1.11 2.43 -0.35 -1.48 114.38 115.00 3g4f h ARG 119 Ca -0.00 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 3g4f h ARG 119 Cb 1.03 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.62 3g4f h ARG 119 CO 0.09 -0.38 0.32 -0.07 -1.51 0.00 0.00 179.97 178.42 3g4f h LEU 120 N -0.60 0.34 -0.66 3.80 3.38 -1.16 -1.21 115.31 119.20 3g4f h LEU 120 Ca -0.06 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3g4f h LEU 120 Cb 0.45 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3g4f h LEU 120 CO 0.10 0.15 0.16 -0.07 0.09 0.00 0.00 178.44 178.87 3g4f h LEU 121 N 0.49 1.01 -0.74 1.67 3.38 -1.40 -2.84 115.31 116.88 3g4f h LEU 121 Ca 0.40 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3g4f h LEU 121 Cb 0.56 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3g4f h LEU 121 CO -0.37 0.98 -0.11 0.03 0.09 0.00 0.00 178.44 179.06 3g4f h ARG 122 N 0.99 0.85 -0.82 1.13 2.47 -0.39 -0.98 114.38 117.64 3g4f h ARG 122 Ca 0.21 -0.29 0.06 0.00 -1.26 0.00 0.00 59.98 58.69 3g4f h ARG 122 Cb 0.37 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 3g4f h ARG 122 CO 0.00 0.92 0.53 1.49 0.56 0.00 0.00 179.97 183.48 3g4f h GLU 123 N 0.77 0.88 -0.28 0.04 4.81 -1.17 -1.71 114.58 117.93 3g4f h GLU 123 Ca 0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3g4f h GLU 123 Cb 0.62 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3g4f h GLU 123 CO 0.04 0.58 0.00 0.72 -0.73 0.00 0.00 179.01 179.63 3g4f n HIS 124 N -4.48 0.35 0.00 0.92 8.25 -0.80 -4.94 115.22 114.52 3g4f n HIS 124 Ca 0.12 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3g4f n HIS 124 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3g4f n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g4f n GLY 125 N 1.31 0.64 3.73 -1.41 0.00 -0.50 -4.94 105.19 104.02 3g4f n GLY 125 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3g4f n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g4f s TYR 126 N -2.00 3.82 -1.32 1.61 1.51 -0.49 -1.10 117.35 119.37 3g4f s TYR 126 Ca 0.00 1.80 -0.15 0.00 -1.01 0.00 0.00 57.07 57.71 3g4f s TYR 126 Cb 0.00 -3.06 0.10 0.00 -0.11 0.00 0.00 41.96 38.89 3g4f s TYR 126 CO 0.00 0.20 1.82 0.09 -1.11 0.00 0.00 175.55 176.55 3g4f n ASN 127 N 2.72 4.75 -4.69 2.29 4.13 -1.26 -4.17 115.26 119.03 3g4f n ASN 127 Ca 0.02 -2.94 -0.41 0.00 1.68 0.00 0.00 54.58 52.93 3g4f n ASN 127 Cb 0.49 -1.65 -0.04 0.00 -1.54 0.00 0.00 39.78 37.04 3g4f n ASN 127 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3g4f s VAL 128 N 2.85 4.95 0.38 2.41 1.01 -1.26 -5.02 120.40 125.72 3g4f s VAL 128 Ca 0.48 1.54 -0.26 0.00 0.00 0.00 0.00 61.98 63.74 3g4f s VAL 128 Cb 0.06 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 3g4f s VAL 128 CO 0.01 0.12 1.16 -0.55 0.00 0.00 0.00 175.10 175.84 3g4f s SER 129 N 1.04 6.62 0.00 3.32 0.15 -1.26 -4.88 113.70 118.69 3g4f s SER 129 Ca 0.38 2.34 0.05 0.00 0.70 0.00 0.00 55.95 59.41 3g4f s SER 129 Cb -0.17 -2.61 0.25 0.00 -1.71 0.00 0.00 66.02 61.77 3g4f s SER 129 CO 0.15 -0.60 0.99 0.00 1.20 0.00 0.00 173.24 174.97 3g4f h ASP 131 N 0.00 0.00 0.07 0.00 3.04 -2.02 -2.36 116.42 115.15 3g4f h ASP 131 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3g4f h ASP 131 Cb 0.05 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.34 3g4f h ASP 131 CO 0.00 0.00 -0.00 -0.37 -2.04 0.00 0.00 179.24 176.83 3g4f h VAL 132 N 0.00 0.02 -0.01 4.15 -1.51 -1.94 0.16 116.25 117.12 3g4f h VAL 132 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3g4f h VAL 132 Cb 0.25 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 3g4f h VAL 132 CO 0.00 0.00 -0.10 0.49 -1.23 0.00 0.00 177.57 176.74 3g4f n PHE 133 N -3.11 0.00 0.47 5.19 3.72 -0.89 -4.41 117.46 118.43 3g4f n PHE 133 Ca -0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.17 3g4f n PHE 133 Cb 0.09 -0.04 -0.10 0.00 -0.94 0.00 0.00 39.48 38.49 3g4f n PHE 133 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3g4f h ASN 134 N 2.13 -1.15 -0.00 4.37 -0.26 -0.85 -2.28 115.58 117.54 3g4f h ASN 134 Ca 0.00 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 3g4f h ASN 134 Cb 0.54 0.32 -0.00 0.00 -1.06 0.00 0.00 38.32 38.12 3g4f h ASN 134 CO 0.00 -0.76 0.60 2.29 -1.06 0.00 0.00 177.43 178.50 3g4f n LYS 135 N -5.63 0.02 -0.27 0.81 2.85 -1.26 -0.89 118.16 113.79 3g4f n LYS 135 Ca -0.16 0.57 0.11 0.00 -1.05 0.00 0.00 58.31 57.78 3g4f n LYS 135 Cb 0.50 -1.55 0.27 0.00 -0.65 0.00 0.00 35.03 33.61 3g4f n LYS 135 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3g4f n PHE 136 N -1.71 0.71 -4.09 5.58 3.72 -0.86 -4.91 117.46 115.90 3g4f n PHE 136 Ca 0.00 -0.36 -0.26 0.00 -0.05 0.00 0.00 57.45 56.78 3g4f n PHE 136 Cb 0.60 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.09 3g4f n PHE 136 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3g4f s LYS 137 N -1.29 2.85 0.54 -1.08 1.02 -0.07 -2.41 119.74 119.32 3g4f s LYS 137 Ca 0.41 -0.88 -0.06 0.00 0.02 0.00 0.00 55.97 55.46 3g4f s LYS 137 Cb 0.22 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 3g4f s LYS 137 CO 0.29 0.49 0.85 0.16 -0.92 0.00 0.00 175.35 176.22 3g4f s ASP 138 N -3.06 5.91 0.50 2.83 3.84 -0.45 -4.77 116.67 121.47 3g4f s ASP 138 Ca 0.31 0.83 0.26 0.00 -0.00 0.00 0.00 52.55 53.95 3g4f s ASP 138 Cb -0.10 -1.97 1.35 0.00 -1.38 0.00 0.00 42.92 40.82 3g4f s ASP 138 CO 0.23 -0.84 1.91 -0.08 -0.00 0.00 0.00 175.17 176.38 3g4f h GLU 139 N -0.00 0.11 -0.16 2.11 4.81 -2.01 0.76 114.58 120.20 3g4f h GLU 139 Ca -0.46 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.81 3g4f h GLU 139 Cb 1.23 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3g4f h GLU 139 CO 0.61 0.07 0.13 1.96 -0.73 0.00 0.00 179.01 181.05 3g4f h GLN 140 N 0.11 0.00 0.00 1.92 7.50 -2.03 -3.46 115.11 119.15 3g4f h GLN 140 Ca 0.39 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.54 3g4f h GLN 140 Cb 1.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.91 3g4f h GLN 140 CO -0.05 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.69 3g4f n GLY 141 N -1.51 0.61 3.90 3.46 0.00 0.26 -5.08 105.19 106.84 3g4f n GLY 141 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 3g4f n GLY 141 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g4f s ASN 142 N -2.88 5.95 0.06 1.61 0.01 -1.26 -4.83 114.94 113.59 3g4f s ASN 142 Ca 0.00 0.92 -0.31 0.00 -0.71 0.00 0.00 52.86 52.76 3g4f s ASN 142 Cb 0.00 -2.04 -0.07 0.00 0.41 0.00 0.00 41.25 39.55 3g4f s ASN 142 CO 0.00 -0.85 1.44 -0.36 -1.51 0.00 0.00 177.10 175.82 3g4f s PHE 143 N -2.93 2.93 0.86 2.20 0.08 -1.26 -1.34 117.98 118.51 3g4f s PHE 143 Ca 0.52 0.78 -0.15 0.00 0.12 0.00 0.00 56.93 58.19 3g4f s PHE 143 Cb -0.11 -3.73 -0.05 0.00 -0.57 0.00 0.00 43.02 38.57 3g4f s PHE 143 CO 0.47 -2.68 0.05 1.63 -0.10 0.00 0.00 175.22 174.59 3g4f n LYS 144 N 4.84 -0.02 -0.03 0.44 5.02 -1.01 -4.81 118.16 122.60 3g4f n LYS 144 Ca 0.13 0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.29 3g4f n LYS 144 Cb 0.42 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 3g4f n LYS 144 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3g4f h SER 145 N -0.93 0.89 -0.94 4.39 0.02 -1.92 -3.05 113.55 112.01 3g4f h SER 145 Ca -0.44 -0.55 0.17 0.00 -0.84 0.00 0.00 61.79 60.13 3g4f h SER 145 Cb 1.32 -0.26 -0.10 0.00 0.14 0.00 0.00 62.40 63.50 3g4f h SER 145 CO 0.34 1.34 0.54 0.77 -1.14 0.00 0.00 176.83 178.68 3g4f h SER 146 N 0.54 0.69 -0.81 3.07 4.64 -1.99 -2.84 113.55 116.86 3g4f h SER 146 Ca -0.03 0.09 0.11 0.00 -0.47 0.00 0.00 61.79 61.49 3g4f h SER 146 Cb 1.32 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 3g4f h SER 146 CO 0.14 0.27 0.53 0.58 -0.87 0.00 0.00 176.83 177.48 3g4f h VAL 147 N 0.72 0.91 0.00 0.95 2.07 -1.88 -2.39 116.25 116.64 3g4f h VAL 147 Ca 0.52 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.81 3g4f h VAL 147 Cb 0.76 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3g4f h VAL 147 CO -0.37 0.13 0.00 0.35 0.02 0.00 0.00 177.57 177.70 3g4f n THR 148 N -4.52 1.17 0.82 2.57 -2.24 -1.07 -2.14 114.28 108.88 3g4f n THR 148 Ca 0.14 0.34 0.10 0.00 -2.27 0.00 0.00 64.05 62.37 3g4f n THR 148 Cb 0.37 -1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 67.31 3g4f n THR 148 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3g4f n SER 149 N -1.73 0.79 -4.40 3.42 7.64 -0.90 -4.69 113.62 113.74 3g4f n SER 149 Ca 0.02 -0.74 -0.45 0.00 1.01 0.00 0.00 58.87 58.72 3g4f n SER 149 Cb 0.14 1.07 -0.01 0.00 -1.01 0.00 0.00 64.21 64.40 3g4f n SER 149 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3g4f s ASP 150 N -3.29 7.03 0.09 6.43 2.15 -0.91 -4.86 116.67 123.30 3g4f s ASP 150 Ca 0.06 -2.97 -0.21 0.00 0.43 0.00 0.00 52.55 49.86 3g4f s ASP 150 Cb 0.16 -2.31 -0.11 0.00 -0.30 0.00 0.00 42.92 40.35 3g4f s ASP 150 CO 0.86 -0.63 1.68 0.58 -0.17 0.00 0.00 175.17 177.49 3g4f h VAL 151 N 4.58 1.09 -0.91 1.11 2.07 -1.84 0.85 116.25 123.20 3g4f h VAL 151 Ca 0.21 -0.26 0.12 0.00 0.82 0.00 0.00 66.70 67.59 3g4f h VAL 151 Cb 0.93 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3g4f h VAL 151 CO 1.07 0.08 0.59 0.03 0.02 0.00 0.00 177.57 179.36 3g4f h ARG 152 N 0.09 0.81 0.00 1.57 3.08 -1.97 0.19 114.38 118.15 3g4f h ARG 152 Ca 0.04 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3g4f h ARG 152 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3g4f h ARG 152 CO -0.01 0.54 -0.51 0.78 -1.07 0.00 0.00 179.97 179.70 3g4f h GLY 153 N 0.83 0.00 0.75 0.04 0.00 -1.66 -2.76 103.07 100.27 3g4f h GLY 153 Ca 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.61 3g4f h GLY 153 CO -0.21 0.00 -0.65 1.41 0.00 0.00 0.00 176.54 177.09 3g4f h LEU 154 N 0.00 0.51 -0.51 3.11 3.38 0.17 -1.88 115.31 120.09 3g4f h LEU 154 Ca -0.01 -0.82 0.10 0.00 0.09 0.00 0.00 57.88 57.25 3g4f h LEU 154 Cb 0.98 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 3g4f h LEU 154 CO 0.07 1.26 -0.18 0.25 0.09 0.00 0.00 178.44 179.93 3g4f h LEU 155 N -0.19 -0.64 -0.42 1.67 5.85 -1.12 0.85 115.31 121.31 3g4f h LEU 155 Ca -0.09 0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 3g4f h LEU 155 Cb 1.40 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 3g4f h LEU 155 CO 0.13 -0.21 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.57 3g4f h GLU 156 N -0.06 0.81 -0.87 1.25 4.39 -1.49 -0.21 114.58 118.41 3g4f h GLU 156 Ca 0.24 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.65 3g4f h GLU 156 Cb 0.43 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 3g4f h GLU 156 CO -0.55 0.94 0.57 1.25 -1.16 0.00 0.00 179.01 180.06 3g4f h LEU 157 N 0.63 0.96 0.55 1.33 5.85 -1.02 0.28 115.31 123.89 3g4f h LEU 157 Ca 0.10 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3g4f h LEU 157 Cb 0.65 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.46 3g4f h LEU 157 CO 0.04 0.67 -0.26 0.22 -0.34 0.00 0.00 178.44 178.77 3g4f h TYR 158 N 1.12 -0.68 -0.83 1.25 5.03 0.15 -2.19 116.97 120.80 3g4f h TYR 158 Ca 0.34 -0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.73 3g4f h TYR 158 Cb -0.03 0.23 -0.07 0.00 1.55 0.00 0.00 36.73 38.41 3g4f h TYR 158 CO -0.00 -0.37 0.48 1.96 -1.32 0.00 0.00 178.16 178.90 3g4f h GLN 159 N -0.87 0.77 0.00 1.82 1.08 -0.91 -2.20 115.11 114.80 3g4f h GLN 159 Ca -0.08 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3g4f h GLN 159 Cb 0.61 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3g4f h GLN 159 CO 0.12 0.51 0.00 0.00 -0.95 0.00 0.00 178.83 178.51 3g4f h ALA 160 N 1.46 1.00 -0.01 3.87 0.00 -0.06 -2.17 119.26 123.36 3g4f h ALA 160 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3g4f h ALA 160 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3g4f h ALA 160 CO -0.25 0.00 -0.04 -1.13 0.00 0.00 0.00 179.25 177.83 3g4f n SER 161 N -2.39 1.01 -0.29 0.00 3.41 -0.83 -2.51 113.62 112.03 3g4f n SER 161 Ca 0.03 -1.22 0.14 0.00 -0.26 0.00 0.00 58.87 57.56 3g4f n SER 161 Cb 0.28 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.91 3g4f n SER 161 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3g4f n TYR 162 N -0.29 0.01 -0.18 7.33 4.02 -0.81 -3.11 117.16 124.13 3g4f n TYR 162 Ca 0.19 -0.01 0.10 0.00 -0.01 0.00 0.00 57.90 58.17 3g4f n TYR 162 Cb 0.29 0.00 0.25 0.00 -0.02 0.00 0.00 39.34 39.86 3g4f n TYR 162 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3g4f n LEU 163 N -0.28 3.51 -4.77 7.72 4.32 -1.04 -4.98 117.00 121.47 3g4f n LEU 163 Ca 0.20 -1.89 -0.38 0.00 -0.02 0.00 0.00 56.01 53.92 3g4f n LEU 163 Cb 0.25 -0.36 -0.03 0.00 -1.62 0.00 0.00 43.42 41.67 3g4f n LEU 163 CO 0.17 0.85 0.82 0.00 -1.22 0.00 0.00 177.39 178.01 3g4f s ARG 164 N -1.07 4.19 0.00 3.23 1.70 -1.18 -4.94 118.95 120.87 3g4f s ARG 164 Ca 0.38 1.80 0.00 0.00 -0.47 0.00 0.00 55.73 57.45 3g4f s ARG 164 Cb 0.20 -2.76 0.00 0.00 -0.57 0.00 0.00 34.95 31.82 3g4f s ARG 164 CO 0.27 -0.19 0.00 1.33 -1.08 0.00 0.00 175.30 175.63 3g4f n VAL 165 N 0.28 0.00 -3.03 4.99 0.24 -1.26 -4.50 118.33 115.05 3g4f n VAL 165 Ca 0.03 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.94 3g4f n VAL 165 Cb 0.46 -0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.66 3g4f n VAL 165 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3g4f s HIS 166 N 2.31 3.69 0.00 6.34 0.09 -1.26 -4.15 115.29 122.31 3g4f s HIS 166 Ca 0.00 1.37 0.00 0.00 -0.00 0.00 0.00 55.06 56.43 3g4f s HIS 166 Cb 0.00 -2.79 0.00 0.00 -0.00 0.00 0.00 32.58 29.79 3g4f s HIS 166 CO 0.00 0.23 0.00 0.41 -0.00 0.00 0.00 174.74 175.38 3g4f n GLY 167 N 2.59 1.48 2.56 -2.22 0.00 -1.26 -5.02 105.19 103.32 3g4f n GLY 167 Ca -0.03 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 3g4f n GLY 167 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g4f n GLU 168 N -0.95 2.36 0.08 1.61 1.02 -1.26 -4.94 120.64 118.57 3g4f n GLU 168 Ca 0.00 -4.39 0.05 0.00 -0.02 0.00 0.00 57.16 52.80 3g4f n GLU 168 Cb 0.15 -2.04 0.47 0.00 -0.02 0.00 0.00 31.44 30.00 3g4f n GLU 168 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3g4f h ASP 169 N 3.53 0.32 -0.82 1.62 2.03 -1.95 -1.51 116.42 119.65 3g4f h ASP 169 Ca 0.14 -0.02 0.09 0.00 -0.73 0.00 0.00 57.03 56.52 3g4f h ASP 169 Cb 0.67 -0.08 -0.07 0.00 -0.83 0.00 0.00 39.33 39.02 3g4f h ASP 169 CO 0.74 0.27 0.47 -0.29 -1.03 0.00 0.00 179.24 179.39 3g4f h ILE 170 N 0.37 0.92 0.00 4.15 2.10 -1.95 0.37 117.51 123.46 3g4f h ILE 170 Ca 0.10 -0.27 -0.06 0.00 1.08 0.00 0.00 64.86 65.70 3g4f h ILE 170 Cb 0.03 0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 35.80 3g4f h ILE 170 CO -0.02 0.14 -0.29 -0.07 -1.08 0.00 0.00 178.15 176.84 3g4f h LEU 171 N 0.79 0.00 -0.75 2.19 3.38 -1.68 0.30 115.31 119.54 3g4f h LEU 171 Ca 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.28 3g4f h LEU 171 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3g4f h LEU 171 CO -0.24 0.29 0.02 0.44 0.09 0.00 0.00 178.44 179.04 3g4f h ASP 172 N 0.00 0.95 -0.10 -0.43 3.32 0.04 -2.65 116.42 117.55 3g4f h ASP 172 Ca -0.00 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 56.68 3g4f h ASP 172 Cb 1.04 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.34 3g4f h ASP 172 CO 0.04 0.99 -0.42 -0.33 -1.72 0.00 0.00 179.24 177.79 3g4f h GLU 173 N 0.90 0.46 -0.92 3.56 5.08 -0.28 -3.32 114.58 120.06 3g4f h GLU 173 Ca 0.17 -0.36 0.21 0.00 -1.00 0.00 0.00 59.36 58.38 3g4f h GLU 173 Cb 0.50 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.70 3g4f h GLU 173 CO 0.02 0.99 0.46 0.00 -1.00 0.00 0.00 179.01 179.49 3g4f h ALA 174 N 0.47 1.50 -0.57 3.43 0.00 -0.80 -1.01 119.26 122.27 3g4f h ALA 174 Ca -0.03 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3g4f h ALA 174 Cb 1.07 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3g4f h ALA 174 CO 0.09 -0.27 0.25 0.97 0.00 0.00 0.00 179.25 180.29 3g4f h ILE 175 N 0.50 1.22 -0.04 0.00 6.09 -1.57 0.99 117.51 124.70 3g4f h ILE 175 Ca 0.56 -0.64 -0.03 0.00 -1.37 0.00 0.00 64.86 63.38 3g4f h ILE 175 Cb 1.02 0.57 0.00 0.00 0.47 0.00 0.00 36.82 38.89 3g4f h ILE 175 CO -0.48 0.25 -0.11 0.28 -3.07 0.00 0.00 178.15 175.02 3g4f h SER 176 N 0.78 0.16 -0.05 2.19 0.02 -1.61 -1.36 113.55 113.68 3g4f h SER 176 Ca 0.19 -0.62 0.04 0.00 -0.84 0.00 0.00 61.79 60.56 3g4f h SER 176 Cb 0.16 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 3g4f h SER 176 CO -0.02 0.75 -0.42 0.15 -1.14 0.00 0.00 176.83 176.15 3g4f h PHE 177 N -0.42 -1.20 -0.50 3.45 3.57 -1.00 -0.25 116.94 120.59 3g4f h PHE 177 Ca -0.00 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 3g4f h PHE 177 Cb 0.74 0.53 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 3g4f h PHE 177 CO 0.13 -0.49 -0.11 1.79 -2.23 0.00 0.00 178.31 177.41 3g4f h THR 178 N -0.54 1.27 -0.48 4.41 1.35 -0.90 -1.70 112.91 116.32 3g4f h THR 178 Ca 0.06 -1.24 0.03 0.00 -0.55 0.00 0.00 66.41 64.71 3g4f h THR 178 Cb 0.64 0.99 -0.04 0.00 -1.73 0.00 0.00 68.15 68.02 3g4f h THR 178 CO -0.35 0.43 0.26 0.74 -0.25 0.00 0.00 175.52 176.36 3g4f h THR 179 N 0.84 1.00 0.57 6.82 2.02 -0.86 -2.04 112.91 121.26 3g4f h THR 179 Ca 0.13 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3g4f h THR 179 Cb 0.65 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3g4f h THR 179 CO 0.05 0.09 -0.27 -0.74 0.37 0.00 0.00 175.52 175.01 3g4f h HIS 180 N 0.52 -0.71 0.00 3.16 6.17 -0.67 -2.94 115.15 120.67 3g4f h HIS 180 Ca 0.20 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.27 3g4f h HIS 180 Cb 0.08 0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.24 3g4f h HIS 180 CO -0.09 -0.38 0.00 0.45 0.71 0.00 0.00 177.93 178.62 3g4f h HIS 181 N -1.05 0.00 0.23 5.26 3.86 -1.31 -2.63 115.15 119.51 3g4f h HIS 181 Ca -0.08 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.80 3g4f h HIS 181 Cb 0.65 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.15 3g4f h HIS 181 CO 0.00 0.00 -1.50 -0.07 0.86 0.00 0.00 177.93 177.22 3g4f h LEU 182 N 0.00 0.75 -1.50 2.43 3.38 -1.31 -3.01 115.31 116.06 3g4f h LEU 182 Ca 0.00 -0.85 -0.05 0.00 0.09 0.00 0.00 57.88 57.07 3g4f h LEU 182 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3g4f h LEU 182 CO 0.00 1.68 -0.26 0.28 0.09 0.00 0.00 178.44 180.23 3g4f h SER 183 N 0.13 0.00 1.16 -0.43 0.02 -1.29 -2.02 113.55 111.12 3g4f h SER 183 Ca -0.26 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 3g4f h SER 183 Cb 2.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.67 3g4f h SER 183 CO 0.25 0.26 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.97 3g4f h LEU 184 N 0.00 0.00 -0.88 5.07 3.38 -1.53 -3.25 115.31 118.09 3g4f h LEU 184 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g4f h LEU 184 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3g4f h LEU 184 CO 0.03 0.16 -0.39 0.00 0.09 0.00 0.00 178.44 178.33 3g4f n ALA 185 N -2.17 3.33 -0.31 1.53 0.00 -0.80 -4.58 120.51 117.52 3g4f n ALA 185 Ca 0.01 -0.57 0.02 0.00 0.00 0.00 0.00 53.44 52.90 3g4f n ALA 185 Cb 0.44 -0.63 0.21 0.00 0.00 0.00 0.00 19.45 19.47 3g4f n ALA 185 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g4f h VAL 186 N 1.91 1.14 -0.92 0.00 2.07 -1.49 -2.87 116.25 116.09 3g4f h VAL 186 Ca 0.00 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 67.24 3g4f h VAL 186 Cb 0.60 -0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 3g4f h VAL 186 CO 0.00 0.20 0.59 0.00 0.02 0.00 0.00 177.57 178.39 3g4f h ALA 187 N 1.48 1.61 -0.52 1.67 0.00 -1.82 -2.77 119.26 118.91 3g4f h ALA 187 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3g4f h ALA 187 Cb 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3g4f h ALA 187 CO -0.11 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 3g4f n SER 188 N -4.54 4.69 -4.76 0.00 3.41 -1.08 -4.96 113.62 106.38 3g4f n SER 188 Ca 0.16 -2.62 -0.33 0.00 -0.26 0.00 0.00 58.87 55.82 3g4f n SER 188 Cb 0.31 -0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 3g4f n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g4f s LEU 189 N -2.06 3.80 -0.18 1.04 1.43 -1.05 -5.09 118.68 116.58 3g4f s LEU 189 Ca 0.46 0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.58 3g4f s LEU 189 Cb 0.33 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3g4f s LEU 189 CO 0.17 0.28 0.14 -1.81 0.23 0.00 0.00 176.35 175.36 3g4f s ASP 190 N -1.62 6.25 0.47 2.29 1.11 -1.26 -4.70 116.67 119.21 3g4f s ASP 190 Ca 0.21 0.29 -0.20 0.00 0.18 0.00 0.00 52.55 53.03 3g4f s ASP 190 Cb -0.12 -2.09 -0.13 0.00 1.07 0.00 0.00 42.92 41.66 3g4f s ASP 190 CO 0.12 0.22 0.34 1.57 1.18 0.00 0.00 175.17 178.60 3g4f n HIS 191 N 3.24 -1.27 0.73 4.23 -0.00 -1.26 -2.83 115.22 118.06 3g4f n HIS 191 Ca -0.17 0.54 0.12 0.00 0.46 0.00 0.00 57.72 58.67 3g4f n HIS 191 Cb 0.53 -1.89 0.23 0.00 -0.12 0.00 0.00 29.99 28.74 3g4f n HIS 191 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3g4f n PRO 192 N 0.73 0.19 -0.33 1.57 -0.02 -1.26 -4.81 135.00 131.06 3g4f n PRO 192 Ca 0.11 0.06 0.30 0.00 -2.02 0.00 0.00 63.50 61.95 3g4f n PRO 192 Cb 0.43 -1.62 0.64 0.00 -0.02 0.00 0.00 33.50 32.93 3g4f n PRO 192 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3g4f h LEU 193 N 0.00 0.21 0.75 2.45 5.85 -1.92 -1.35 115.31 121.30 3g4f h LEU 193 Ca 0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3g4f h LEU 193 Cb 0.66 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.71 3g4f h LEU 193 CO 0.00 0.02 -0.36 0.77 -0.34 0.00 0.00 178.44 178.53 3g4f h SER 194 N 0.18 -0.86 -0.68 1.25 4.64 -1.84 -1.95 113.55 114.29 3g4f h SER 194 Ca 0.60 0.01 0.14 0.00 -0.47 0.00 0.00 61.79 62.06 3g4f h SER 194 Cb 1.96 0.22 -0.13 0.00 -0.31 0.00 0.00 62.40 64.15 3g4f h SER 194 CO -0.16 -0.53 -0.17 -0.08 -0.87 0.00 0.00 176.83 175.02 3g4f h GLU 195 N -1.15 0.00 -0.90 4.77 4.57 -1.61 0.19 114.58 120.45 3g4f h GLU 195 Ca -0.10 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.14 3g4f h GLU 195 Cb 0.79 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.32 3g4f h GLU 195 CO 0.17 0.00 0.59 1.49 -1.18 0.00 0.00 179.01 180.08 3g4f h GLU 196 N 0.00 0.98 0.16 1.92 4.81 -1.22 -0.76 114.58 120.47 3g4f h GLU 196 Ca 0.33 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3g4f h GLU 196 Cb 0.50 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3g4f h GLU 196 CO -0.70 0.65 -0.08 0.28 -0.73 0.00 0.00 179.01 178.43 3g4f h VAL 197 N 1.01 0.97 -0.69 0.32 2.07 0.11 -2.35 116.25 117.69 3g4f h VAL 197 Ca 0.39 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 67.07 3g4f h VAL 197 Cb 0.22 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 3g4f h VAL 197 CO -0.15 0.20 0.35 0.77 0.02 0.00 0.00 177.57 178.76 3g4f h SER 198 N -0.69 0.46 -0.55 0.57 4.64 -0.72 -0.63 113.55 116.64 3g4f h SER 198 Ca -0.02 0.05 0.05 0.00 -0.47 0.00 0.00 61.79 61.40 3g4f h SER 198 Cb 0.50 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 3g4f h SER 198 CO 0.04 0.28 0.28 -0.74 -0.87 0.00 0.00 176.83 175.81 3g4f h HIS 199 N 0.60 0.50 -0.24 4.77 6.17 -1.19 -2.53 115.15 123.25 3g4f h HIS 199 Ca 0.33 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.40 3g4f h HIS 199 Cb 0.32 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.09 3g4f h HIS 199 CO -0.10 0.23 -0.00 0.00 0.71 0.00 0.00 177.93 178.77 3g4f h ALA 200 N 1.31 1.56 0.00 5.26 0.00 -0.56 0.15 119.26 126.98 3g4f h ALA 200 Ca 0.25 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3g4f h ALA 200 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3g4f h ALA 200 CO -0.18 0.32 -0.22 -0.07 0.00 0.00 0.00 179.25 179.10 3g4f h LEU 201 N 0.34 0.00 0.03 0.00 3.38 -1.03 -2.92 115.31 115.12 3g4f h LEU 201 Ca 0.08 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.77 3g4f h LEU 201 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3g4f h LEU 201 CO 0.01 0.22 -1.48 0.11 0.09 0.00 0.00 178.44 177.39 3g4f h LYS 202 N 0.00 0.07 -1.53 1.13 1.57 -1.04 -3.47 116.57 113.30 3g4f h LYS 202 Ca -0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3g4f h LYS 202 Cb 0.67 0.04 -0.24 0.00 0.08 0.00 0.00 32.23 32.78 3g4f h LYS 202 CO 0.03 0.80 -0.33 -1.14 -0.57 0.00 0.00 179.45 178.24 3g4f s GLN 203 N -2.63 0.48 0.70 3.15 2.00 0.38 -5.12 119.66 118.63 3g4f s GLN 203 Ca -0.05 0.90 -0.13 0.00 -2.00 0.00 0.00 55.36 54.09 3g4f s GLN 203 Cb 0.08 0.23 0.02 0.00 0.80 0.00 0.00 33.01 34.15 3g4f s GLN 203 CO 0.83 -0.55 1.09 -1.54 -0.50 0.00 0.00 175.29 174.61 3g4f s SER 204 N 2.74 4.98 0.41 6.67 1.04 -1.25 -4.14 113.70 124.14 3g4f s SER 204 Ca 0.13 1.84 0.13 0.00 0.48 0.00 0.00 55.95 58.54 3g4f s SER 204 Cb -0.15 -2.53 0.86 0.00 0.10 0.00 0.00 66.02 64.30 3g4f s SER 204 CO -0.18 -1.72 1.91 0.40 0.98 0.00 0.00 173.24 174.63 3g4f h ILE 205 N -0.52 1.19 0.06 -1.02 2.04 -1.91 -2.96 117.51 114.39 3g4f h ILE 205 Ca -0.45 -0.91 -0.24 0.00 1.00 0.00 0.00 64.86 64.26 3g4f h ILE 205 Cb 1.23 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 3g4f h ILE 205 CO 0.54 0.26 -1.10 -0.09 0.00 0.00 0.00 178.15 177.76 3g4f h ARG 206 N 0.03 0.16 -0.56 2.37 2.43 -1.91 -3.29 114.38 113.61 3g4f h ARG 206 Ca 0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3g4f h ARG 206 Cb 0.47 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3g4f h ARG 206 CO 0.03 1.10 0.00 0.54 -1.51 0.00 0.00 179.97 180.13 3g4f n ARG 207 N -3.48 2.76 -2.77 0.20 1.74 -1.23 -4.95 116.66 108.93 3g4f n ARG 207 Ca -0.05 -2.39 -0.28 0.00 -0.77 0.00 0.00 57.85 54.36 3g4f n ARG 207 Cb 0.96 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.95 3g4f n ARG 207 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3g4f s GLY 208 N -1.01 1.64 -0.10 -0.13 0.00 -1.12 -4.45 107.32 102.15 3g4f s GLY 208 Ca 0.38 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 44.36 3g4f s GLY 208 CO 0.26 -0.28 1.10 1.08 0.00 0.00 0.00 173.10 175.26 3g4f s LEU 209 N -4.40 4.24 0.26 0.66 1.43 -1.26 -4.93 118.68 114.68 3g4f s LEU 209 Ca 0.48 1.64 -0.02 0.00 -1.03 0.00 0.00 54.13 55.20 3g4f s LEU 209 Cb -0.10 -3.55 0.56 0.00 0.03 0.00 0.00 46.19 43.13 3g4f s LEU 209 CO 0.40 -0.54 1.69 -0.65 0.23 0.00 0.00 176.35 177.48 3g4f h PRO 210 N 7.33 0.33 -0.02 1.29 0.11 -1.93 -0.34 132.00 138.77 3g4f h PRO 210 Ca -0.31 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.59 3g4f h PRO 210 Cb 1.14 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3g4f h PRO 210 CO 0.88 0.22 -0.81 -0.09 -0.21 0.00 0.00 178.00 177.98 3g4f h ARG 211 N 0.34 0.25 -0.43 1.05 2.43 -1.94 0.87 114.38 116.94 3g4f h ARG 211 Ca 0.47 -0.24 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 3g4f h ARG 211 Cb 0.83 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 3g4f h ARG 211 CO -0.51 0.93 -0.24 0.28 -1.51 0.00 0.00 179.97 178.92 3g4f h VAL 212 N 0.15 1.27 -0.31 0.20 2.07 -1.50 -2.10 116.25 116.03 3g4f h VAL 212 Ca -0.04 -1.38 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 3g4f h VAL 212 Cb 1.41 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3g4f h VAL 212 CO 0.13 0.47 -0.20 -0.33 0.02 0.00 0.00 177.57 177.66 3g4f h GLU 213 N 0.76 0.68 -0.59 1.57 4.39 -1.27 -2.99 114.58 117.13 3g4f h GLU 213 Ca 0.10 -0.32 0.10 0.00 0.34 0.00 0.00 59.36 59.58 3g4f h GLU 213 Cb 0.78 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.35 3g4f h GLU 213 CO 0.06 0.92 0.16 0.00 -1.16 0.00 0.00 179.01 179.00 3g4f h ALA 214 N 0.75 0.72 -0.51 3.43 0.00 -0.65 0.82 119.26 123.82 3g4f h ALA 214 Ca 0.06 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3g4f h ALA 214 Cb 0.74 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3g4f h ALA 214 CO 0.05 -0.27 0.22 -0.09 0.00 0.00 0.00 179.25 179.16 3g4f h ARG 215 N 0.31 0.73 -0.14 0.00 9.65 -1.27 -1.35 114.38 122.31 3g4f h ARG 215 Ca 0.31 -0.10 -0.15 0.00 -1.10 0.00 0.00 59.98 58.94 3g4f h ARG 215 Cb 0.43 -0.14 0.01 0.00 -1.39 0.00 0.00 29.97 28.88 3g4f h ARG 215 CO -0.36 0.59 -0.49 1.25 2.80 0.00 0.00 179.97 183.76 3g4f h HIS 216 N 0.73 0.75 0.00 2.20 2.76 -1.16 -3.12 115.15 117.31 3g4f h HIS 216 Ca 0.18 -0.31 -0.01 0.00 -2.20 0.00 0.00 60.37 58.02 3g4f h HIS 216 Cb 0.13 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 3g4f h HIS 216 CO 0.01 1.09 -0.07 -0.92 -1.30 0.00 0.00 177.93 176.74 3g4f h TYR 217 N 0.20 0.00 -0.43 5.26 3.20 -0.58 -2.51 116.97 122.11 3g4f h TYR 217 Ca -0.02 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 3g4f h TYR 217 Cb 1.12 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 3g4f h TYR 217 CO 0.10 0.07 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.57 3g4f h LEU 218 N 0.00 0.70 0.25 2.82 3.38 -1.19 0.17 115.31 121.45 3g4f h LEU 218 Ca -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3g4f h LEU 218 Cb 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3g4f h LEU 218 CO 0.01 0.80 -0.12 0.28 0.09 0.00 0.00 178.44 179.50 3g4f h SER 219 N 0.67 -0.29 -0.73 -0.43 0.02 -1.52 -2.93 113.55 108.35 3g4f h SER 219 Ca 0.13 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3g4f h SER 219 Cb 0.49 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 3g4f h SER 219 CO 0.03 0.16 0.40 1.62 -1.14 0.00 0.00 176.83 177.89 3g4f h VAL 220 N -0.81 1.22 -0.28 2.27 3.04 -1.40 -2.67 116.25 117.62 3g4f h VAL 220 Ca -0.03 -0.56 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 3g4f h VAL 220 Cb 0.51 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.00 3g4f h VAL 220 CO 0.06 0.25 0.12 0.22 -1.01 0.00 0.00 177.57 177.20 3g4f h TYR 221 N 1.03 0.37 -0.67 3.17 3.20 -0.72 -2.56 116.97 120.79 3g4f h TYR 221 Ca 0.26 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3g4f h TYR 221 Cb 0.04 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3g4f h TYR 221 CO 0.01 0.30 0.27 0.37 -1.64 0.00 0.00 178.16 177.46 3g4f h GLN 222 N 0.38 0.99 -6.29 1.82 4.15 -1.27 -3.43 115.11 111.46 3g4f h GLN 222 Ca 0.10 -0.16 -0.55 0.00 0.77 0.00 0.00 58.65 58.80 3g4f h GLN 222 Cb 0.07 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 3g4f h GLN 222 CO -0.01 0.80 0.76 -0.51 -1.93 0.00 0.00 178.83 177.94 3g4f s ASP 223 N -6.46 7.00 -0.13 -0.69 -0.00 -0.97 -4.93 116.67 110.48 3g4f s ASP 223 Ca -0.11 1.84 -0.05 0.00 -0.00 0.00 0.00 52.55 54.24 3g4f s ASP 223 Cb 0.16 -2.55 0.07 0.00 -0.00 0.00 0.00 42.92 40.59 3g4f s ASP 223 CO 0.81 -0.64 0.26 -0.70 -0.00 0.00 0.00 175.17 174.90 3g4f s GLU 225 N 2.50 0.15 0.00 8.23 -6.30 -1.26 -4.59 118.70 117.44 3g4f s GLU 225 Ca 0.57 0.73 0.00 0.00 -2.50 0.00 0.00 54.97 53.77 3g4f s GLU 225 Cb -0.25 -0.08 0.00 0.00 0.00 0.00 0.00 34.13 33.80 3g4f s GLU 225 CO 0.21 -0.30 0.00 -1.13 0.02 0.00 0.00 175.26 174.06 3g4f n SER 226 N 5.35 -0.07 -4.76 -1.70 3.41 -1.26 -5.08 113.62 109.51 3g4f n SER 226 Ca -0.06 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.22 3g4f n SER 226 Cb 0.50 -0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.50 3g4f n SER 226 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3g4f s HIS 227 N -2.03 2.44 -0.36 7.33 -3.43 -1.26 -4.93 115.29 113.05 3g4f s HIS 227 Ca 0.00 1.58 -0.29 0.00 -0.80 0.00 0.00 55.06 55.55 3g4f s HIS 227 Cb 0.00 -3.22 0.01 0.00 -1.43 0.00 0.00 32.58 27.94 3g4f s HIS 227 CO 0.00 -1.95 1.20 1.21 -2.00 0.00 0.00 174.74 173.20 3g4f s ASN 228 N -2.58 6.72 0.22 7.38 3.84 -1.26 -4.92 114.94 124.34 3g4f s ASN 228 Ca 0.68 0.96 -0.09 0.00 0.21 0.00 0.00 52.86 54.62 3g4f s ASN 228 Cb -0.22 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.29 3g4f s ASN 228 CO 0.45 -1.08 1.67 0.11 -2.79 0.00 0.00 177.10 175.46 3g4f h LYS 229 N 9.01 0.17 -0.00 0.43 6.56 -1.99 -1.38 116.57 129.37 3g4f h LYS 229 Ca -0.24 -0.01 -0.19 0.00 -1.06 0.00 0.00 60.65 59.15 3g4f h LYS 229 Cb 1.08 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.68 3g4f h LYS 229 CO 1.06 0.12 -0.85 0.00 -2.06 0.00 0.00 179.45 177.72 3g4f h ALA 230 N 1.57 0.57 0.49 3.86 0.00 -1.99 -2.08 119.26 121.68 3g4f h ALA 230 Ca 0.35 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3g4f h ALA 230 Cb 0.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3g4f h ALA 230 CO -0.51 0.92 -0.30 1.25 0.00 0.00 0.00 179.25 180.61 3g4f h LEU 231 N 0.09 -0.74 -1.44 0.00 6.46 -1.80 -1.49 115.31 116.40 3g4f h LEU 231 Ca -0.04 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3g4f h LEU 231 Cb 1.47 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.59 3g4f h LEU 231 CO 0.13 -0.47 0.15 0.25 -0.62 0.00 0.00 178.44 177.88 3g4f h LEU 232 N -0.75 0.48 -0.12 2.25 5.85 -1.24 0.38 115.31 122.17 3g4f h LEU 232 Ca -0.06 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 3g4f h LEU 232 Cb 0.61 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3g4f h LEU 232 CO 0.06 0.44 -0.38 -0.08 -0.34 0.00 0.00 178.44 178.14 3g4f h GLU 233 N 0.53 0.46 -0.72 1.25 4.81 -1.30 -2.28 114.58 117.33 3g4f h GLU 233 Ca 0.13 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 3g4f h GLU 233 Cb 0.11 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3g4f h GLU 233 CO -0.01 0.97 0.34 0.35 -0.73 0.00 0.00 179.01 179.93 3g4f h PHE 234 N 0.05 1.05 -0.20 0.92 3.57 -0.52 -1.50 116.94 120.31 3g4f h PHE 234 Ca -0.01 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 3g4f h PHE 234 Cb 1.01 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3g4f h PHE 234 CO 0.11 0.78 -0.29 0.00 -2.23 0.00 0.00 178.31 176.68 3g4f h ALA 235 N 1.17 1.14 0.07 2.41 0.00 -0.98 0.59 119.26 123.66 3g4f h ALA 235 Ca 0.25 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3g4f h ALA 235 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3g4f h ALA 235 CO -0.03 0.55 -0.04 0.87 0.00 0.00 0.00 179.25 180.60 3g4f h LYS 236 N 0.33 -0.09 -0.23 0.00 1.57 -0.82 -0.89 116.57 116.44 3g4f h LYS 236 Ca 0.05 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3g4f h LYS 236 Cb 0.69 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3g4f h LYS 236 CO 0.05 0.07 -0.35 0.82 -0.57 0.00 0.00 179.45 179.48 3g4f h ILE 237 N -0.25 1.29 -0.39 1.86 2.04 -1.00 -2.55 117.51 118.52 3g4f h ILE 237 Ca -0.01 -1.46 -0.10 0.00 1.00 0.00 0.00 64.86 64.29 3g4f h ILE 237 Cb 0.21 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3g4f h ILE 237 CO 0.02 0.46 -0.13 -0.78 0.00 0.00 0.00 178.15 177.71 3g4f h ASP 238 N 0.43 0.79 -0.78 1.72 3.58 -0.84 -1.40 116.42 119.91 3g4f h ASP 238 Ca 0.05 -0.38 0.10 0.00 0.42 0.00 0.00 57.03 57.21 3g4f h ASP 238 Cb 0.81 -0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.57 3g4f h ASP 238 CO 0.07 0.99 0.42 0.15 -2.88 0.00 0.00 179.24 177.99 3g4f h PHE 239 N 0.58 0.76 -0.21 0.28 3.04 -0.77 -1.16 116.94 119.46 3g4f h PHE 239 Ca 0.09 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.88 3g4f h PHE 239 Cb 0.67 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.96 3g4f h PHE 239 CO 0.05 0.29 -0.64 -0.91 -2.02 0.00 0.00 178.31 175.08 3g4f h ASN 240 N 0.70 0.87 -0.50 0.41 2.35 -1.09 -1.90 115.58 116.43 3g4f h ASN 240 Ca 0.39 -0.51 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3g4f h ASN 240 Cb 0.39 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 3g4f h ASN 240 CO -0.27 1.29 0.31 0.24 -1.65 0.00 0.00 177.43 177.36 3g4f h MET 241 N 0.56 0.61 -0.02 0.81 2.86 -0.76 0.32 114.93 119.31 3g4f h MET 241 Ca -0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3g4f h MET 241 Cb 1.25 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 3g4f h MET 241 CO 0.13 0.41 0.01 -0.07 1.06 0.00 0.00 176.91 178.45 3g4f h LEU 242 N 0.63 0.03 -1.08 1.22 3.38 -1.23 -2.13 115.31 116.14 3g4f h LEU 242 Ca 0.20 -0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.22 3g4f h LEU 242 Cb -0.02 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.62 3g4f h LEU 242 CO -0.07 0.19 0.61 -0.61 0.09 0.00 0.00 178.44 178.65 3g4f h GLN 243 N -0.12 0.64 0.36 1.13 4.15 -0.88 0.30 115.11 120.68 3g4f h GLN 243 Ca 0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 3g4f h GLN 243 Cb 0.17 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3g4f h GLN 243 CO -0.00 0.42 -0.17 0.35 -1.93 0.00 0.00 178.83 177.50 3g4f h PHE 244 N 0.66 -0.45 -0.27 3.99 3.57 -0.67 0.69 116.94 124.46 3g4f h PHE 244 Ca 0.59 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.14 3g4f h PHE 244 Cb 1.06 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.89 3g4f h PHE 244 CO -0.00 -0.26 -0.13 1.25 -2.23 0.00 0.00 178.31 176.93 3g4f h LEU 245 N -0.51 -0.44 -0.96 0.59 5.85 -0.12 0.21 115.31 119.93 3g4f h LEU 245 Ca -0.05 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3g4f h LEU 245 Cb 0.39 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3g4f h LEU 245 CO 0.08 -0.16 0.63 0.45 -0.34 0.00 0.00 178.44 179.10 3g4f h HIS 246 N -0.09 1.21 -0.63 1.25 3.86 -0.45 -0.83 115.15 119.45 3g4f h HIS 246 Ca 0.14 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3g4f h HIS 246 Cb 0.31 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 3g4f h HIS 246 CO -0.32 0.76 0.36 0.00 0.86 0.00 0.00 177.93 179.60 3g4f h ARG 247 N 1.30 0.86 -0.14 2.45 2.47 0.77 0.12 114.38 122.22 3g4f h ARG 247 Ca 0.35 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 3g4f h ARG 247 Cb -0.15 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 27.99 3g4f h ARG 247 CO -0.08 0.62 0.07 0.87 0.56 0.00 0.00 179.97 182.01 3g4f h LYS 248 N 0.88 0.20 -0.86 0.04 1.57 -0.00 -2.37 116.57 116.02 3g4f h LYS 248 Ca 0.23 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3g4f h LYS 248 Cb 0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3g4f h LYS 248 CO -0.04 0.26 0.53 0.93 -0.57 0.00 0.00 179.45 180.56 3g4f h GLU 249 N 0.10 1.15 0.00 3.15 5.08 -0.20 -2.05 114.58 121.81 3g4f h GLU 249 Ca 0.05 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3g4f h GLU 249 Cb 0.12 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3g4f h GLU 249 CO -0.01 0.80 -0.41 1.25 -1.00 0.00 0.00 179.01 179.65 3g4f h LEU 250 N 1.17 0.00 -0.14 1.33 5.85 -0.76 -2.40 115.31 120.37 3g4f h LEU 250 Ca 0.31 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.83 3g4f h LEU 250 Cb -0.07 0.00 0.01 0.00 0.37 0.00 0.00 40.66 40.97 3g4f h LEU 250 CO -0.06 0.41 -0.68 -1.28 -0.34 0.00 0.00 178.44 176.49 3g4f h SER 251 N 0.00 0.84 -0.92 1.25 0.87 -1.02 -1.80 113.55 112.78 3g4f h SER 251 Ca -0.00 -0.63 0.02 0.00 -1.23 0.00 0.00 61.79 59.95 3g4f h SER 251 Cb 0.90 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.56 3g4f h SER 251 CO 0.05 1.34 0.60 -0.33 -0.53 0.00 0.00 176.83 177.96 3g4f h GLU 252 N 0.41 1.16 -0.40 2.24 5.08 -1.15 -1.93 114.58 119.98 3g4f h GLU 252 Ca -0.04 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 3g4f h GLU 252 Cb 1.31 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3g4f h GLU 252 CO 0.14 0.77 -0.32 0.82 -1.00 0.00 0.00 179.01 179.41 3g4f h ILE 253 N 1.19 1.27 -0.28 3.13 2.04 -1.41 -2.39 117.51 121.06 3g4f h ILE 253 Ca 0.35 -1.49 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 3g4f h ILE 253 Cb -0.06 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3g4f h ILE 253 CO -0.09 0.50 -0.05 0.00 0.00 0.00 0.00 178.15 178.50 3g4f h ARG 255 N 0.30 0.12 -0.57 0.00 9.65 -1.39 0.27 114.38 122.76 3g4f h ARG 255 Ca 0.07 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.06 3g4f h ARG 255 Cb 0.52 -0.03 -0.11 0.00 -1.39 0.00 0.00 29.97 28.97 3g4f h ARG 255 CO 0.03 0.08 -0.16 2.35 2.80 0.00 0.00 179.97 185.07 3g4f h TRP 256 N 0.13 -0.34 -0.22 2.20 7.01 -1.20 -2.02 115.95 121.49 3g4f h TRP 256 Ca 0.17 0.05 -0.11 0.00 2.11 0.00 0.00 58.89 61.11 3g4f h TRP 256 Cb 0.22 0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 3g4f h TRP 256 CO -0.22 -0.26 -0.33 2.35 -2.79 0.00 0.00 178.44 177.18 3g4f h TRP 257 N -0.02 0.53 -0.14 2.65 2.91 -0.08 -2.91 115.95 118.90 3g4f h TRP 257 Ca 0.27 -0.13 -0.08 0.00 1.13 0.00 0.00 58.89 60.08 3g4f h TRP 257 Cb 0.43 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 3g4f h TRP 257 CO -0.48 0.74 -0.28 0.87 -1.03 0.00 0.00 178.44 178.26 3g4f h LYS 258 N 0.39 0.27 0.00 2.65 1.79 0.22 -2.20 116.57 119.69 3g4f h LYS 258 Ca 0.05 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3g4f h LYS 258 Cb 0.78 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.41 3g4f h LYS 258 CO 0.06 0.53 -0.06 -0.44 -1.08 0.00 0.00 179.45 178.47 3g4f h ASP 259 N 0.24 0.00 0.26 0.86 3.32 -1.26 -3.06 116.42 116.78 3g4f h ASP 259 Ca 0.04 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 3g4f h ASP 259 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3g4f h ASP 259 CO 0.04 0.06 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.24 3g4f h LEU 260 N 0.00 0.09 2.62 1.55 4.07 -1.37 -3.46 115.31 118.82 3g4f h LEU 260 Ca -0.00 -0.03 -0.40 0.00 0.08 0.00 0.00 57.88 57.53 3g4f h LEU 260 Cb 0.82 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 3g4f h LEU 260 CO 0.01 0.41 -0.53 -0.67 -1.08 0.00 0.00 178.44 176.58 3g4f n ASP 261 N -4.14 -5.78 -0.09 -0.43 2.03 -1.16 -4.79 116.55 102.19 3g4f n ASP 261 Ca -0.02 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.24 3g4f n ASP 261 Cb 0.38 -4.77 0.00 0.00 -0.72 0.00 0.00 41.12 36.00 3g4f n ASP 261 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3g4f n PHE 262 N -4.08 0.00 -0.00 -0.67 3.72 -1.26 -2.31 117.46 112.86 3g4f n PHE 262 Ca -0.22 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3g4f n PHE 262 Cb 0.67 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.21 3g4f n PHE 262 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3g4f h GLN 263 N 0.16 0.00 0.37 -1.08 4.15 -1.89 -3.16 115.11 113.67 3g4f h GLN 263 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3g4f h GLN 263 Cb 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3g4f h GLN 263 CO 0.00 0.00 -0.18 0.07 -1.93 0.00 0.00 178.83 176.79 3g4f h ARG 264 N -0.07 -0.48 -0.64 1.69 0.11 -1.94 -3.34 114.38 109.71 3g4f h ARG 264 Ca 0.00 0.03 0.09 0.00 0.10 0.00 0.00 59.98 60.20 3g4f h ARG 264 Cb 0.01 0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.16 3g4f h ARG 264 CO 0.00 -0.21 0.43 0.87 0.10 0.00 0.00 179.97 181.16 3g4f h LYS 265 N -0.70 0.51 -2.20 0.08 1.57 -1.67 -3.28 116.57 110.88 3g4f h LYS 265 Ca -0.05 -0.03 -0.56 0.00 -1.87 0.00 0.00 60.65 58.14 3g4f h LYS 265 Cb 0.49 -0.12 -0.41 0.00 0.08 0.00 0.00 32.23 32.27 3g4f h LYS 265 CO 0.08 0.34 -0.81 1.28 -0.57 0.00 0.00 179.45 179.78 3g4f n LEU 266 N -4.48 3.35 -0.58 2.94 4.77 -1.19 -4.95 117.00 116.86 3g4f n LEU 266 Ca 0.10 -5.47 0.45 0.00 -0.03 0.00 0.00 56.01 51.06 3g4f n LEU 266 Cb 0.33 -0.18 0.70 0.00 -2.33 0.00 0.00 43.42 41.94 3g4f n LEU 266 CO 0.34 2.33 1.26 -0.81 -1.33 0.00 0.00 177.39 179.17 3g4f n PRO 267 N -0.04 -0.01 0.02 3.23 -0.04 -1.24 0.74 135.00 137.66 3g4f n PRO 267 Ca 0.29 0.99 0.12 0.00 -0.04 0.00 0.00 63.50 64.85 3g4f n PRO 267 Cb 0.47 -2.19 0.12 0.00 -0.04 0.00 0.00 33.50 31.85 3g4f n PRO 267 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3g4f n TYR 268 N -3.86 0.19 -2.66 0.54 4.11 -1.26 0.13 117.16 114.36 3g4f n TYR 268 Ca 0.38 0.05 -0.42 0.00 -0.00 0.00 0.00 57.90 57.91 3g4f n TYR 268 Cb 1.69 -0.36 -0.03 0.00 -0.00 0.00 0.00 39.34 40.65 3g4f n TYR 268 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3g4f s ALA 269 N -3.10 3.42 1.10 -3.48 0.00 0.23 -4.91 121.76 115.02 3g4f s ALA 269 Ca 0.07 0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 3g4f s ALA 269 Cb 0.16 -3.45 0.21 0.00 0.00 0.00 0.00 23.12 20.04 3g4f s ALA 269 CO 0.76 -0.63 0.83 0.54 0.00 0.00 0.00 175.76 177.25 3g4f n ARG 270 N 5.06 -1.77 -3.93 0.00 1.74 -1.26 -1.24 116.66 115.26 3g4f n ARG 270 Ca 0.09 -0.48 -0.30 0.00 -0.77 0.00 0.00 57.85 56.39 3g4f n ARG 270 Cb 0.48 -2.11 -0.15 0.00 -1.02 0.00 0.00 32.46 29.66 3g4f n ARG 270 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3g4f s ASP 271 N -2.33 4.09 -0.12 0.55 -1.08 -1.26 -4.70 116.67 111.82 3g4f s ASP 271 Ca 0.65 -1.44 0.17 0.00 -0.52 0.00 0.00 52.55 51.41 3g4f s ASP 271 Cb -0.22 -1.24 0.42 0.00 -1.46 0.00 0.00 42.92 40.42 3g4f s ASP 271 CO 0.64 -0.29 1.20 0.54 0.52 0.00 0.00 175.17 177.78 3g4f n ARG 272 N 4.60 0.91 0.03 4.34 5.12 -1.26 -4.12 116.66 126.29 3g4f n ARG 272 Ca -0.08 -2.75 -0.13 0.00 -1.93 0.00 0.00 57.85 52.97 3g4f n ARG 272 Cb 0.43 -0.93 -0.08 0.00 -1.16 0.00 0.00 32.46 30.71 3g4f n ARG 272 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3g4f h VAL 273 N 3.54 1.14 -0.38 1.55 2.07 -1.97 0.13 116.25 122.33 3g4f h VAL 273 Ca -0.10 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3g4f h VAL 273 Cb 1.38 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 3g4f h VAL 273 CO 0.04 0.13 0.16 0.58 0.02 0.00 0.00 177.57 178.50 3g4f h VAL 274 N -0.27 0.92 -0.28 2.57 2.07 -1.99 0.73 116.25 120.01 3g4f h VAL 274 Ca -0.00 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3g4f h VAL 274 Cb 0.25 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3g4f h VAL 274 CO 0.01 0.06 0.03 -0.33 0.02 0.00 0.00 177.57 177.36 3g4f h GLU 275 N 0.33 0.41 0.54 1.57 3.07 -1.89 -1.15 114.58 117.46 3g4f h GLU 275 Ca 0.17 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 3g4f h GLU 275 Cb 0.12 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3g4f h GLU 275 CO -0.15 0.42 -0.26 0.78 -1.40 0.00 0.00 179.01 178.40 3g4f h GLY 276 N 0.69 -0.75 -0.27 -3.84 0.00 0.06 -1.61 103.07 97.34 3g4f h GLY 276 Ca 0.09 0.28 0.24 0.00 0.00 0.00 0.00 47.33 47.94 3g4f h GLY 276 CO 0.00 -0.27 0.43 -1.82 0.00 0.00 0.00 176.54 174.88 3g4f h TYR 277 N -0.94 0.71 0.26 5.60 3.20 -0.60 0.14 116.97 125.34 3g4f h TYR 277 Ca -0.07 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3g4f h TYR 277 Cb 0.62 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3g4f h TYR 277 CO -0.00 -0.07 -0.12 0.35 -1.64 0.00 0.00 178.16 176.68 3g4f h PHE 278 N 0.40 -0.32 -0.49 -3.82 3.57 -1.09 0.40 116.94 115.59 3g4f h PHE 278 Ca 0.60 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.16 3g4f h PHE 278 Cb 1.18 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.93 3g4f h PHE 278 CO -0.11 -0.11 -0.50 -1.49 -2.23 0.00 0.00 178.31 173.86 3g4f h TRP 279 N -0.46 -1.51 -0.27 0.41 6.55 -0.10 -1.28 115.95 119.27 3g4f h TRP 279 Ca -0.04 0.08 -0.01 0.00 0.95 0.00 0.00 58.89 59.87 3g4f h TRP 279 Cb 0.35 0.73 -0.01 0.00 -0.86 0.00 0.00 29.16 29.36 3g4f h TRP 279 CO -0.03 -0.46 0.11 0.82 -1.05 0.00 0.00 178.44 177.84 3g4f h ILE 280 N -0.31 1.11 0.00 1.49 1.08 -0.64 -0.69 117.51 119.54 3g4f h ILE 280 Ca 0.12 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 3g4f h ILE 280 Cb 0.58 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3g4f h ILE 280 CO -0.64 0.13 0.00 0.77 -0.69 0.00 0.00 178.15 177.72 3g4f h SER 281 N 0.38 0.00 1.01 1.72 4.64 0.88 -0.22 113.55 121.96 3g4f h SER 281 Ca 0.10 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 3g4f h SER 281 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3g4f h SER 281 CO -0.01 0.00 -0.42 1.23 -0.87 0.00 0.00 176.83 176.76 3g4f h GLY 282 N 2.42 0.00 0.89 -0.77 0.00 -0.13 -2.84 103.07 102.64 3g4f h GLY 282 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3g4f h GLY 282 CO 0.00 0.00 -0.09 -2.08 0.00 0.00 0.00 176.54 174.37 3g4f h VAL 283 N 0.00 1.28 -2.22 4.60 2.07 -0.88 -3.45 116.25 117.66 3g4f h VAL 283 Ca -0.00 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 3g4f h VAL 283 Cb 1.04 1.42 -0.23 0.00 -1.52 0.00 0.00 31.29 32.00 3g4f h VAL 283 CO 0.05 0.36 -0.07 -0.72 0.02 0.00 0.00 177.57 177.22 3g4f s TYR 284 N -4.73 -0.88 -0.04 1.57 -0.85 -1.04 -4.72 117.35 106.67 3g4f s TYR 284 Ca -0.13 1.82 0.20 0.00 -0.52 0.00 0.00 57.07 58.44 3g4f s TYR 284 Cb 0.08 0.47 -0.30 0.00 0.38 0.00 0.00 41.96 42.59 3g4f s TYR 284 CO 0.78 -0.44 0.41 1.97 -1.52 0.00 0.00 175.55 176.75 3g4f n PHE 285 N 4.04 0.00 -1.24 -3.49 1.16 -1.07 -4.49 117.46 112.36 3g4f n PHE 285 Ca -0.20 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.03 3g4f n PHE 285 Cb 0.57 -0.47 0.09 0.00 -1.61 0.00 0.00 39.48 38.06 3g4f n PHE 285 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3g4f n GLU 286 N -2.21 0.31 -0.30 3.97 4.71 -1.26 -4.90 120.64 120.96 3g4f n GLU 286 Ca -0.05 0.16 0.03 0.00 -0.01 0.00 0.00 57.16 57.29 3g4f n GLU 286 Cb 0.54 -2.05 0.17 0.00 -1.01 0.00 0.00 31.44 29.10 3g4f n GLU 286 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3g4f h PRO 287 N -0.49 0.81 0.00 3.49 0.11 -1.99 -2.92 132.00 131.01 3g4f h PRO 287 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3g4f h PRO 287 Cb 1.33 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3g4f h PRO 287 CO 0.44 0.54 0.00 -0.56 -0.21 0.00 0.00 178.00 178.20 3g4f h GLN 288 N 0.84 0.00 -0.89 1.05 3.07 -2.01 -2.59 115.11 114.58 3g4f h GLN 288 Ca 0.41 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.78 3g4f h GLN 288 Cb 0.36 0.00 -0.22 0.00 0.08 0.00 0.00 27.48 27.70 3g4f h GLN 288 CO -0.24 0.00 0.47 0.66 0.09 0.00 0.00 178.83 179.80 3g4f n TYR 289 N -2.67 2.73 0.03 0.06 4.01 -1.10 -4.65 117.16 115.57 3g4f n TYR 289 Ca 0.01 -1.51 -0.13 0.00 -0.16 0.00 0.00 57.90 56.11 3g4f n TYR 289 Cb 0.22 -0.81 -0.08 0.00 -0.31 0.00 0.00 39.34 38.36 3g4f n TYR 289 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3g4f h SER 290 N 1.75 -0.04 -0.94 7.72 0.87 -1.61 0.39 113.55 121.70 3g4f h SER 290 Ca 0.45 -0.18 0.10 0.00 -1.23 0.00 0.00 61.79 60.93 3g4f h SER 290 Cb 2.58 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 64.48 3g4f h SER 290 CO 0.91 0.16 0.60 0.25 -0.53 0.00 0.00 176.83 178.23 3g4f h LEU 291 N -0.23 0.86 0.05 2.23 6.46 -1.87 -2.06 115.31 120.76 3g4f h LEU 291 Ca -0.00 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3g4f h LEU 291 Cb 0.21 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 3g4f h LEU 291 CO 0.01 0.50 -0.15 1.23 -0.62 0.00 0.00 178.44 179.41 3g4f h GLY 292 N 0.95 -0.24 1.17 3.75 0.00 -1.46 -0.97 103.07 106.27 3g4f h GLY 292 Ca 0.44 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.95 3g4f h GLY 292 CO -0.20 -0.15 0.52 3.21 0.00 0.00 0.00 176.54 179.93 3g4f h ARG 293 N -0.28 1.11 0.54 4.80 3.08 -0.43 0.11 114.38 123.31 3g4f h ARG 293 Ca 0.03 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3g4f h ARG 293 Cb 0.31 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.13 3g4f h ARG 293 CO -0.11 0.76 -0.26 -0.22 -1.07 0.00 0.00 179.97 179.07 3g4f h LYS 294 N 1.13 -0.70 -0.17 0.04 1.63 -0.93 0.12 116.57 117.70 3g4f h LYS 294 Ca 0.30 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.13 3g4f h LYS 294 Cb -0.09 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 3g4f h LYS 294 CO -0.06 -0.44 0.04 0.52 -3.45 0.00 0.00 179.45 176.05 3g4f h MET 295 N -0.77 0.27 -0.68 1.90 2.86 -0.95 -2.74 114.93 114.81 3g4f h MET 295 Ca -0.07 -0.07 0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3g4f h MET 295 Cb 0.57 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 3g4f h MET 295 CO 0.12 0.42 0.45 1.25 1.06 0.00 0.00 176.91 180.22 3g4f h LEU 296 N 0.07 0.46 0.05 1.22 5.85 -0.74 -1.57 115.31 120.65 3g4f h LEU 296 Ca 0.05 0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.50 3g4f h LEU 296 Cb 0.28 -0.08 0.02 0.00 0.37 0.00 0.00 40.66 41.25 3g4f h LEU 296 CO 0.00 0.27 -1.16 0.74 -0.34 0.00 0.00 178.44 177.95 3g4f h THR 297 N 0.51 1.31 -0.50 1.05 2.02 -0.57 -1.88 112.91 114.86 3g4f h THR 297 Ca 0.32 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 65.03 3g4f h THR 297 Cb 0.56 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 3g4f h THR 297 CO -0.10 0.75 0.31 0.11 0.37 0.00 0.00 175.52 176.96 3g4f h LYS 298 N 0.28 0.66 -0.11 6.66 1.57 -1.19 -1.95 116.57 122.50 3g4f h LYS 298 Ca -0.16 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3g4f h LYS 298 Cb 1.83 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.97 3g4f h LYS 298 CO 0.22 0.47 -0.04 0.28 -0.57 0.00 0.00 179.45 179.80 3g4f h VAL 299 N 0.67 0.85 0.00 0.50 2.07 -1.15 -1.49 116.25 117.69 3g4f h VAL 299 Ca 0.18 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 3g4f h VAL 299 Cb -0.04 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3g4f h VAL 299 CO -0.04 0.00 -0.25 -0.29 0.02 0.00 0.00 177.57 177.01 3g4f h ILE 300 N -0.03 1.13 0.51 4.57 2.10 -1.25 0.15 117.51 124.69 3g4f h ILE 300 Ca 0.06 -0.87 -0.02 0.00 1.08 0.00 0.00 64.86 65.10 3g4f h ILE 300 Cb 0.12 1.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 3g4f h ILE 300 CO -0.13 0.25 -0.24 0.00 -1.08 0.00 0.00 178.15 176.94 3g4f h ALA 301 N 1.75 -0.68 -0.85 0.18 0.00 -0.74 -2.10 119.26 116.81 3g4f h ALA 301 Ca -0.00 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.86 3g4f h ALA 301 Cb 0.46 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 3g4f h ALA 301 CO 0.03 -0.72 0.44 0.52 0.00 0.00 0.00 179.25 179.52 3g4f h MET 302 N -1.00 0.62 -0.95 0.00 2.86 -1.04 0.15 114.93 115.56 3g4f h MET 302 Ca -0.07 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.67 3g4f h MET 302 Cb 0.61 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.04 3g4f h MET 302 CO 0.11 0.41 0.57 0.00 1.06 0.00 0.00 176.91 179.07 3g4f h ALA 303 N 1.55 1.46 -0.50 6.32 0.00 -0.63 0.75 119.26 128.21 3g4f h ALA 303 Ca 0.46 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 3g4f h ALA 303 Cb 0.63 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3g4f h ALA 303 CO -0.35 0.11 0.14 0.77 0.00 0.00 0.00 179.25 179.92 3g4f h SER 304 N 0.87 0.73 -0.58 0.00 0.02 -0.28 0.28 113.55 114.59 3g4f h SER 304 Ca 0.49 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 61.13 3g4f h SER 304 Cb 0.57 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 3g4f h SER 304 CO -0.30 0.76 -0.01 0.40 -1.14 0.00 0.00 176.83 176.54 3g4f h ILE 305 N 0.67 1.26 -0.32 3.27 1.08 -0.53 -0.52 117.51 122.43 3g4f h ILE 305 Ca 0.16 -1.16 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 3g4f h ILE 305 Cb 0.30 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 3g4f h ILE 305 CO -0.00 0.42 0.15 0.58 -0.69 0.00 0.00 178.15 178.60 3g4f h VAL 306 N 0.96 1.16 -0.26 1.67 2.07 -0.48 -1.24 116.25 120.13 3g4f h VAL 306 Ca 0.17 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.28 3g4f h VAL 306 Cb 0.56 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3g4f h VAL 306 CO 0.03 0.17 -0.07 -0.78 0.02 0.00 0.00 177.57 176.94 3g4f h ASP 307 N 0.37 -0.25 -0.55 0.57 -0.00 -0.14 -2.43 116.42 114.00 3g4f h ASP 307 Ca 0.11 0.08 -0.07 0.00 -0.00 0.00 0.00 57.03 57.15 3g4f h ASP 307 Cb 0.13 0.16 -0.03 0.00 -0.00 0.00 0.00 39.33 39.60 3g4f h ASP 307 CO -0.01 -0.09 0.11 0.44 -0.00 0.00 0.00 179.24 179.69 3g4f h ASP 308 N -0.00 0.90 -0.03 2.28 3.32 -0.87 -0.71 116.42 121.29 3g4f h ASP 308 Ca 0.12 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3g4f h ASP 308 Cb 0.19 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3g4f h ASP 308 CO -0.27 0.89 0.02 0.74 -1.72 0.00 0.00 179.24 178.91 3g4f h THR 309 N 0.90 1.01 0.00 0.35 2.02 -0.83 0.38 112.91 116.75 3g4f h THR 309 Ca 0.19 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3g4f h THR 309 Cb 0.37 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3g4f h THR 309 CO 0.01 0.01 0.00 1.88 0.37 0.00 0.00 175.52 177.79 3g4f h TYR 310 N 0.04 0.00 -0.45 3.16 -1.99 -0.70 -3.33 116.97 113.71 3g4f h TYR 310 Ca 0.01 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.52 3g4f h TYR 310 Cb -0.00 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 38.60 3g4f h TYR 310 CO 0.00 0.00 0.04 -0.25 -0.00 0.00 0.00 178.16 177.95 3g4f n ASP 311 N -2.98 2.76 0.00 3.88 8.00 0.12 -4.87 116.55 123.46 3g4f n ASP 311 Ca 0.04 -3.71 0.00 0.00 0.71 0.00 0.00 54.79 51.83 3g4f n ASP 311 Cb 0.48 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3g4f n ASP 311 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3g4f n SER 312 N -1.08 0.62 -1.10 -2.24 3.41 -0.16 -4.95 113.62 108.11 3g4f n SER 312 Ca 0.37 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 59.00 3g4f n SER 312 Cb 1.13 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 65.25 3g4f n SER 312 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3g4f n TYR 313 N 0.00 0.89 -1.86 7.33 4.01 -1.26 -4.78 117.16 121.49 3g4f n TYR 313 Ca 0.00 -0.34 -0.42 0.00 -0.16 0.00 0.00 57.90 56.99 3g4f n TYR 313 Cb 0.00 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 38.72 3g4f n TYR 313 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3g4f s ALA 314 N -1.72 3.79 0.37 -0.72 0.00 -1.26 -5.00 121.76 117.22 3g4f s ALA 314 Ca 0.23 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.66 3g4f s ALA 314 Cb 0.18 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3g4f s ALA 314 CO 0.07 -0.86 0.58 0.95 0.00 0.00 0.00 175.76 176.49 3g4f s THR 315 N 0.69 4.78 0.42 0.00 -4.23 -1.26 -4.96 115.64 111.08 3g4f s THR 315 Ca 0.68 -0.50 0.14 0.00 -1.18 0.00 0.00 61.69 60.84 3g4f s THR 315 Cb -0.46 -3.75 0.34 0.00 1.34 0.00 0.00 72.50 69.98 3g4f s THR 315 CO 0.37 -0.49 1.93 0.22 -0.54 0.00 0.00 174.62 176.11 3g4f h TYR 316 N 0.67 0.52 0.00 3.99 3.20 -1.94 -0.94 116.97 122.47 3g4f h TYR 316 Ca -0.49 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3g4f h TYR 316 Cb 1.23 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.33 3g4f h TYR 316 CO 0.49 0.21 0.00 0.93 -1.64 0.00 0.00 178.16 178.15 3g4f h GLU 317 N 0.46 0.00 0.08 1.82 3.07 -2.01 -1.65 114.58 116.35 3g4f h GLU 317 Ca 0.36 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.88 3g4f h GLU 317 Cb 0.75 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 3g4f h GLU 317 CO -0.12 0.00 -1.90 0.39 -1.40 0.00 0.00 179.01 175.98 3g4f n GLU 318 N -2.78 0.72 0.09 2.33 1.02 -0.41 -4.20 120.64 117.40 3g4f n GLU 318 Ca 0.01 0.27 0.02 0.00 -0.02 0.00 0.00 57.16 57.45 3g4f n GLU 318 Cb 0.30 -1.74 0.37 0.00 -0.02 0.00 0.00 31.44 30.35 3g4f n GLU 318 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3g4f h LEU 319 N 0.05 0.30 -0.28 -4.62 3.38 -0.77 -2.88 115.31 110.49 3g4f h LEU 319 Ca -0.38 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3g4f h LEU 319 Cb 2.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 3g4f h LEU 319 CO 0.09 0.42 -0.11 0.16 0.09 0.00 0.00 178.44 179.08 3g4f h ILE 320 N 0.31 1.29 -0.75 1.22 -0.00 -1.62 -0.78 117.51 117.17 3g4f h ILE 320 Ca 0.07 -1.18 0.09 0.00 -0.00 0.00 0.00 64.86 63.84 3g4f h ILE 320 Cb 0.33 1.47 -0.07 0.00 -0.00 0.00 0.00 36.82 38.55 3g4f h ILE 320 CO 0.02 0.37 0.40 -0.65 -0.00 0.00 0.00 178.15 178.29 3g4f h PRO 321 N 0.32 0.67 0.66 0.16 0.11 -1.76 0.13 132.00 132.29 3g4f h PRO 321 Ca 0.07 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3g4f h PRO 321 Cb 0.61 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3g4f h PRO 321 CO 0.04 0.44 -0.38 -0.92 -0.21 0.00 0.00 178.00 176.97 3g4f h TYR 322 N 0.69 -1.00 -0.84 0.65 3.20 -1.25 0.32 116.97 118.72 3g4f h TYR 322 Ca 0.37 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.30 3g4f h TYR 322 Cb 0.35 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 3g4f h TYR 322 CO -0.09 -0.59 0.55 1.15 -1.64 0.00 0.00 178.16 177.54 3g4f h THR 323 N -0.98 1.01 -0.68 1.81 2.02 -1.12 -0.64 112.91 114.34 3g4f h THR 323 Ca -0.08 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 3g4f h THR 323 Cb 0.78 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3g4f h THR 323 CO 0.10 0.16 0.27 -1.13 0.37 0.00 0.00 175.52 175.29 3g4f h ASN 324 N 0.87 0.94 1.19 4.18 -0.73 0.36 -0.31 115.58 122.07 3g4f h ASN 324 Ca 0.37 -0.17 -0.05 0.00 1.87 0.00 0.00 56.30 58.32 3g4f h ASN 324 Cb 0.32 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 3g4f h ASN 324 CO -0.14 0.86 -0.23 0.00 -0.37 0.00 0.00 177.43 177.54 3g4f h ALA 325 N 1.12 0.94 -0.03 1.57 0.00 0.86 -2.75 119.26 120.97 3g4f h ALA 325 Ca 0.23 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3g4f h ALA 325 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3g4f h ALA 325 CO -0.02 0.29 -0.22 0.82 0.00 0.00 0.00 179.25 180.12 3g4f h ILE 326 N 0.00 1.48 -1.01 0.00 2.04 -0.63 -1.22 117.51 118.18 3g4f h ILE 326 Ca -0.00 -1.73 0.23 0.00 1.00 0.00 0.00 64.86 64.35 3g4f h ILE 326 Cb 0.89 2.50 -0.11 0.00 -0.74 0.00 0.00 36.82 39.36 3g4f h ILE 326 CO 0.03 0.48 0.62 -0.33 0.00 0.00 0.00 178.15 178.95 3g4f h GLU 327 N -0.37 0.58 0.00 2.37 5.08 -0.89 -2.42 114.58 118.92 3g4f h GLU 327 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3g4f h GLU 327 Cb 0.90 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3g4f h GLU 327 CO 0.04 0.38 -0.98 0.54 -1.00 0.00 0.00 179.01 177.99 3g4f n ARG 328 N -4.76 0.46 -3.45 2.33 1.74 -1.05 -5.01 116.66 106.91 3g4f n ARG 328 Ca 0.25 0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 57.10 3g4f n ARG 328 Cb 0.71 -1.72 0.02 0.00 -1.02 0.00 0.00 32.46 30.45 3g4f n ARG 328 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 3g4f n TRP 329 N -2.35 -2.13 -3.68 -1.55 -0.00 -0.46 -4.98 117.44 102.29 3g4f n TRP 329 Ca 0.01 0.89 -0.14 0.00 -0.00 0.00 0.00 57.50 58.25 3g4f n TRP 329 Cb 0.50 -1.97 -0.08 0.00 -0.00 0.00 0.00 31.31 29.75 3g4f n TRP 329 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3g4f s ASP 330 N -2.04 -0.47 0.60 5.87 -1.08 -1.26 -5.03 116.67 113.26 3g4f s ASP 330 Ca 0.19 0.73 0.33 0.00 -0.52 0.00 0.00 52.55 53.27 3g4f s ASP 330 Cb -0.02 0.76 1.90 0.00 -1.46 0.00 0.00 42.92 44.10 3g4f s ASP 330 CO 0.80 -0.33 2.26 -0.29 0.52 0.00 0.00 175.17 178.12 3g4f h ILE 331 N 3.96 0.41 0.00 4.11 2.10 -1.97 -0.91 117.51 125.21 3g4f h ILE 331 Ca -0.28 -0.08 -0.01 0.00 1.08 0.00 0.00 64.86 65.57 3g4f h ILE 331 Cb 1.17 1.05 -0.00 0.00 -1.09 0.00 0.00 36.82 37.95 3g4f h ILE 331 CO 0.28 0.02 -0.06 0.11 -1.08 0.00 0.00 178.15 177.41 3g4f h LYS 332 N 0.00 0.00 0.00 2.19 1.57 -1.99 -1.66 116.57 116.68 3g4f h LYS 332 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g4f h LYS 332 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3g4f h LYS 332 CO 0.00 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 3g4f h ILE 334 N 0.00 0.65 -0.00 0.00 2.10 -1.44 -1.37 117.51 117.44 3g4f h ILE 334 Ca 0.00 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3g4f h ILE 334 Cb 0.35 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 3g4f h ILE 334 CO 0.00 0.08 -0.06 0.47 -1.08 0.00 0.00 178.15 177.55 3g4f n ASP 335 N -3.85 0.21 -0.94 2.19 8.00 -1.18 -3.76 116.55 117.21 3g4f n ASP 335 Ca -0.02 -0.31 0.10 0.00 0.71 0.00 0.00 54.79 55.26 3g4f n ASP 335 Cb 0.17 -0.19 0.17 0.00 -0.02 0.00 0.00 41.12 41.25 3g4f n ASP 335 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3g4f n GLU 336 N -1.16 2.20 -4.32 -1.24 -0.58 -0.52 -4.97 120.64 110.05 3g4f n GLU 336 Ca 0.14 -2.03 -0.28 0.00 -0.42 0.00 0.00 57.16 54.57 3g4f n GLU 336 Cb 0.26 -1.42 -0.11 0.00 -0.57 0.00 0.00 31.44 29.60 3g4f n GLU 336 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3g4f s ILE 337 N -1.36 2.81 0.42 -3.67 -4.36 -1.25 -4.87 121.20 108.91 3g4f s ILE 337 Ca 0.31 -1.64 -0.24 0.00 -0.26 0.00 0.00 60.65 58.82 3g4f s ILE 337 Cb 0.19 -2.32 -0.11 0.00 1.25 0.00 0.00 42.46 41.46 3g4f s ILE 337 CO 0.26 0.01 0.87 -2.65 0.24 0.00 0.00 174.94 173.68 3g4f n PRO 338 N 0.53 1.09 -0.27 0.37 -0.02 -1.26 -4.80 135.00 130.64 3g4f n PRO 338 Ca -0.14 0.39 0.08 0.00 -2.02 0.00 0.00 63.50 61.81 3g4f n PRO 338 Cb 0.54 -1.87 0.32 0.00 -0.02 0.00 0.00 33.50 32.47 3g4f n PRO 338 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3g4f h GLU 339 N 1.30 0.80 0.00 -0.52 4.57 -1.99 -0.37 114.58 118.38 3g4f h GLU 339 Ca -0.43 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3g4f h GLU 339 Cb 1.36 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3g4f h GLU 339 CO 0.55 0.53 0.00 2.48 -1.18 0.00 0.00 179.01 181.39 3g4f n TYR 340 N -4.53 0.33 0.77 0.92 4.11 -1.26 -2.10 117.16 115.39 3g4f n TYR 340 Ca 0.15 0.13 0.11 0.00 -0.00 0.00 0.00 57.90 58.29 3g4f n TYR 340 Cb 0.34 -0.72 -0.06 0.00 -0.00 0.00 0.00 39.34 38.90 3g4f n TYR 340 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 3g4f n MET 341 N -1.80 0.15 -0.26 -3.48 2.81 -0.15 -4.39 117.12 110.00 3g4f n MET 341 Ca 0.02 -0.03 -0.02 0.00 -1.81 0.00 0.00 57.70 55.86 3g4f n MET 341 Cb 0.17 -1.52 0.10 0.00 -0.71 0.00 0.00 33.22 31.26 3g4f n MET 341 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3g4f h LYS 342 N 0.00 0.81 0.00 0.03 1.57 -1.44 -2.06 116.57 115.49 3g4f h LYS 342 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3g4f h LYS 342 Cb 0.62 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3g4f h LYS 342 CO 0.00 0.54 -0.16 -1.35 -0.57 0.00 0.00 179.45 177.91 3g4f h PRO 343 N 0.84 0.00 0.14 3.15 0.11 -1.77 -0.27 132.00 134.21 3g4f h PRO 343 Ca 0.31 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.12 3g4f h PRO 343 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3g4f h PRO 343 CO -0.14 0.16 -1.43 0.66 -0.21 0.00 0.00 178.00 177.04 3g4f h SER 344 N 0.00 0.47 0.25 -2.05 4.64 -1.73 -2.71 113.55 112.43 3g4f h SER 344 Ca -0.00 -0.57 -0.01 0.00 -0.47 0.00 0.00 61.79 60.73 3g4f h SER 344 Cb 0.33 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3g4f h SER 344 CO 0.02 1.46 -0.13 0.22 -0.87 0.00 0.00 176.83 177.53 3g4f h TYR 345 N 0.08 -0.33 -0.57 4.77 3.20 -0.94 0.33 116.97 123.51 3g4f h TYR 345 Ca -0.21 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.66 3g4f h TYR 345 Cb 2.02 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 40.38 3g4f h TYR 345 CO 0.07 -0.21 0.38 -0.22 -1.64 0.00 0.00 178.16 176.54 3g4f h LYS 346 N -0.35 0.75 -0.41 1.82 1.63 -1.17 -0.52 116.57 118.31 3g4f h LYS 346 Ca -0.03 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.77 3g4f h LYS 346 Cb 0.28 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 3g4f h LYS 346 CO 0.05 0.49 0.16 0.00 -3.45 0.00 0.00 179.45 176.70 3g4f h ALA 347 N 1.21 0.49 -0.01 5.00 0.00 -1.35 -1.42 119.26 123.18 3g4f h ALA 347 Ca 0.21 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3g4f h ALA 347 Cb -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3g4f h ALA 347 CO -0.05 -0.23 -0.02 1.25 0.00 0.00 0.00 179.25 180.20 3g4f h LEU 348 N 0.33 -0.06 -1.57 0.00 5.85 -0.04 -0.86 115.31 118.94 3g4f h LEU 348 Ca 0.19 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3g4f h LEU 348 Cb 0.16 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3g4f h LEU 348 CO -0.18 -0.03 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.59 3g4f h LEU 349 N -0.03 0.00 -0.47 2.25 3.38 -1.06 -2.79 115.31 116.59 3g4f h LEU 349 Ca 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 3g4f h LEU 349 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3g4f h LEU 349 CO -0.03 0.22 -0.45 0.44 0.09 0.00 0.00 178.44 178.71 3g4f h ASP 350 N 0.00 0.83 -0.09 -0.43 3.32 -0.64 -1.92 116.42 117.49 3g4f h ASP 350 Ca -0.00 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.67 3g4f h ASP 350 Cb 0.42 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3g4f h ASP 350 CO 0.03 1.15 -0.04 0.58 -1.72 0.00 0.00 179.24 179.24 3g4f h VAL 351 N 0.61 0.86 -0.26 -1.35 2.07 -0.89 -0.67 116.25 116.63 3g4f h VAL 351 Ca 0.04 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.41 3g4f h VAL 351 Cb 1.02 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3g4f h VAL 351 CO 0.10 0.00 -0.46 1.88 0.02 0.00 0.00 177.57 179.11 3g4f h TYR 352 N -0.04 0.82 -0.69 1.57 0.05 -1.57 -0.35 116.97 116.75 3g4f h TYR 352 Ca 0.05 -0.26 0.01 0.00 0.05 0.00 0.00 58.73 58.58 3g4f h TYR 352 Cb 0.11 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3g4f h TYR 352 CO -0.16 1.01 0.46 1.49 -1.05 0.00 0.00 178.16 179.91 3g4f h GLU 353 N 0.54 0.91 -0.31 4.88 4.57 -1.17 -0.64 114.58 123.36 3g4f h GLU 353 Ca 0.03 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 3g4f h GLU 353 Cb 1.00 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 3g4f h GLU 353 CO 0.09 0.60 -0.20 1.49 -1.18 0.00 0.00 179.01 179.82 3g4f h GLU 354 N 0.94 0.68 -0.97 1.92 4.81 -0.60 -2.84 114.58 118.52 3g4f h GLU 354 Ca 0.26 -0.32 0.20 0.00 -0.13 0.00 0.00 59.36 59.36 3g4f h GLU 354 Cb -0.10 -0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.16 3g4f h GLU 354 CO -0.06 0.92 0.57 0.52 -0.73 0.00 0.00 179.01 180.23 3g4f h MET 355 N 0.44 0.67 -0.57 1.92 2.86 0.08 -0.36 114.93 119.97 3g4f h MET 355 Ca 0.06 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3g4f h MET 355 Cb 0.74 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 3g4f h MET 355 CO 0.05 0.44 0.23 0.28 1.06 0.00 0.00 176.91 178.98 3g4f h VAL 356 N 0.69 1.22 -0.56 -2.22 2.07 -0.94 -2.79 116.25 113.73 3g4f h VAL 356 Ca 0.57 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3g4f h VAL 356 Cb 0.93 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3g4f h VAL 356 CO -0.41 0.27 0.35 1.56 0.02 0.00 0.00 177.57 179.36 3g4f h GLN 357 N 0.78 0.75 0.00 1.57 7.50 -0.91 -1.17 115.11 123.63 3g4f h GLN 357 Ca 0.19 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.28 3g4f h GLN 357 Cb 0.19 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.56 3g4f h GLN 357 CO -0.02 0.53 0.00 -0.07 -1.50 0.00 0.00 178.83 177.77 3g4f h LEU 358 N 0.75 0.00 0.00 1.46 3.38 -1.08 -2.91 115.31 116.91 3g4f h LEU 358 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3g4f h LEU 358 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3g4f h LEU 358 CO -0.04 0.00 -0.54 0.52 0.09 0.00 0.00 178.44 178.47 3g4f n VAL 359 N -2.89 0.00 -0.09 1.22 0.31 -1.07 -4.49 118.33 111.32 3g4f n VAL 359 Ca 0.01 -0.30 0.19 0.00 -0.01 0.00 0.00 64.34 64.23 3g4f n VAL 359 Cb 0.27 0.86 0.61 0.00 -0.91 0.00 0.00 33.84 34.68 3g4f n VAL 359 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g4f h ALA 360 N 0.93 2.37 0.00 3.52 0.00 -0.99 -2.51 119.26 122.57 3g4f h ALA 360 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g4f h ALA 360 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g4f h ALA 360 CO 0.00 -0.56 0.00 -0.85 0.00 0.00 0.00 179.25 177.84 3g4f n GLU 361 N -4.41 0.05 -0.19 0.00 0.28 -1.26 -0.21 120.64 114.89 3g4f n GLU 361 Ca 0.13 0.29 0.07 0.00 -0.16 0.00 0.00 57.16 57.49 3g4f n GLU 361 Cb 0.62 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 32.08 3g4f n GLU 361 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3g4f n HIS 362 N -1.43 0.00 -3.70 -1.84 8.25 -1.06 -5.00 115.22 110.43 3g4f n HIS 362 Ca 0.03 -0.70 -0.26 0.00 -0.26 0.00 0.00 57.72 56.53 3g4f n HIS 362 Cb 0.10 -0.12 0.06 0.00 1.12 0.00 0.00 29.99 31.15 3g4f n HIS 362 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g4f n GLY 363 N -1.01 -0.52 1.53 -1.41 0.00 0.70 -4.86 105.19 99.62 3g4f n GLY 363 Ca 0.11 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.44 3g4f n GLY 363 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4f n ARG 364 N -4.86 4.09 -0.36 1.61 1.74 -0.97 -4.60 116.66 113.31 3g4f n ARG 364 Ca 0.01 -2.99 0.27 0.00 -0.77 0.00 0.00 57.85 54.36 3g4f n ARG 364 Cb 0.55 -2.05 0.52 0.00 -1.02 0.00 0.00 32.46 30.47 3g4f n ARG 364 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3g4f h GLN 365 N 3.37 0.29 0.00 5.56 7.50 -1.87 -2.02 115.11 127.93 3g4f h GLN 365 Ca 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 3g4f h GLN 365 Cb 1.70 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 29.16 3g4f h GLN 365 CO 0.35 0.19 0.00 0.10 -1.50 0.00 0.00 178.83 177.98 3g4f h TYR 366 N 0.30 0.00 0.00 2.96 -0.00 -1.97 0.12 116.97 118.38 3g4f h TYR 366 Ca 0.71 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 59.33 3g4f h TYR 366 Cb 1.83 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.54 3g4f h TYR 366 CO -0.01 0.00 -0.54 0.00 -0.00 0.00 0.00 178.16 177.62 3g4f h ARG 367 N 0.00 0.00 -0.23 0.10 3.08 -1.74 -3.32 114.38 112.27 3g4f h ARG 367 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3g4f h ARG 367 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3g4f h ARG 367 CO 0.00 0.54 -0.45 0.28 -1.07 0.00 0.00 179.97 179.27 3g4f h VAL 368 N 0.00 1.30 -0.75 2.04 2.07 -0.93 -2.62 116.25 117.37 3g4f h VAL 368 Ca -0.01 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 3g4f h VAL 368 Cb 1.00 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 3g4f h VAL 368 CO 0.07 0.52 0.45 -0.08 0.02 0.00 0.00 177.57 178.55 3g4f h GLU 369 N 0.47 1.02 -0.50 1.57 4.57 -1.70 0.17 114.58 120.18 3g4f h GLU 369 Ca 0.03 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 3g4f h GLU 369 Cb 0.97 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 3g4f h GLU 369 CO 0.09 0.72 0.16 1.88 -1.18 0.00 0.00 179.01 180.67 3g4f h TYR 370 N 1.04 0.75 -0.08 0.92 -1.99 -1.64 0.81 116.97 116.78 3g4f h TYR 370 Ca 0.27 -0.05 -0.23 0.00 2.00 0.00 0.00 58.73 60.72 3g4f h TYR 370 Cb -0.03 -0.23 0.01 0.00 2.00 0.00 0.00 36.73 38.48 3g4f h TYR 370 CO 0.00 0.61 -0.85 0.00 -0.00 0.00 0.00 178.16 177.93 3g4f h ALA 371 N 1.45 0.21 -0.01 3.88 0.00 -1.04 -2.36 119.26 121.40 3g4f h ALA 371 Ca 0.17 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 54.48 3g4f h ALA 371 Cb 0.22 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3g4f h ALA 371 CO -0.01 0.64 -0.33 -0.22 0.00 0.00 0.00 179.25 179.33 3g4f h LYS 372 N 0.41 -0.46 -0.80 0.00 3.64 -0.28 -1.48 116.57 117.60 3g4f h LYS 372 Ca -0.08 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.47 3g4f h LYS 372 Cb 1.49 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.36 3g4f h LYS 372 CO 0.17 -0.31 0.53 -0.91 -2.27 0.00 0.00 179.45 176.66 3g4f h ASN 373 N -0.48 0.50 0.42 4.20 2.35 -0.79 0.20 115.58 121.98 3g4f h ASN 373 Ca 0.06 0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.67 3g4f h ASN 373 Cb 0.57 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3g4f h ASN 373 CO -0.28 0.26 -0.72 0.00 -1.65 0.00 0.00 177.43 175.05 3g4f h ALA 374 N 1.63 0.69 -0.05 -0.83 0.00 -0.83 -1.36 119.26 118.50 3g4f h ALA 374 Ca 0.39 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3g4f h ALA 374 Cb 0.76 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3g4f h ALA 374 CO -0.15 0.80 0.01 1.98 0.00 0.00 0.00 179.25 181.89 3g4f h MET 375 N 0.17 0.08 -0.55 0.00 1.85 0.33 -1.89 114.93 114.92 3g4f h MET 375 Ca -0.02 -0.02 0.09 0.00 -0.61 0.00 0.00 59.70 59.14 3g4f h MET 375 Cb 1.28 -0.01 -0.07 0.00 0.43 0.00 0.00 31.60 33.23 3g4f h MET 375 CO 0.11 0.30 0.15 0.82 -0.40 0.00 0.00 176.91 177.89 3g4f h ILE 376 N -0.15 0.73 -0.86 1.77 2.04 -1.02 -0.39 117.51 119.64 3g4f h ILE 376 Ca 0.02 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.89 3g4f h ILE 376 Cb 0.26 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.66 3g4f h ILE 376 CO 0.00 0.05 0.49 -0.09 0.00 0.00 0.00 178.15 178.60 3g4f h ARG 377 N 0.30 0.75 -0.49 2.37 9.65 -1.03 -1.08 114.38 124.85 3g4f h ARG 377 Ca 0.28 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 59.07 3g4f h ARG 377 Cb 0.37 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 3g4f h ARG 377 CO -0.33 0.50 0.14 1.25 2.80 0.00 0.00 179.97 184.33 3g4f h LEU 378 N 0.77 0.74 -1.48 3.80 6.46 -0.31 -2.32 115.31 122.98 3g4f h LEU 378 Ca 0.43 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.91 3g4f h LEU 378 Cb 0.46 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 3g4f h LEU 378 CO -0.28 0.76 -0.27 0.00 -0.62 0.00 0.00 178.44 178.04 3g4f h ALA 379 N 1.00 1.48 -0.23 1.25 0.00 -0.29 -2.26 119.26 120.20 3g4f h ALA 379 Ca 0.16 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3g4f h ALA 379 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3g4f h ALA 379 CO -0.00 0.33 -0.32 1.96 0.00 0.00 0.00 179.25 181.23 3g4f h GLN 380 N 0.00 0.48 0.00 0.00 4.20 -0.68 -2.39 115.11 116.73 3g4f h GLN 380 Ca -0.00 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3g4f h GLN 380 Cb 0.49 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3g4f h GLN 380 CO 0.03 0.75 -0.01 0.66 -0.67 0.00 0.00 178.83 179.59 3g4f h SER 381 N 0.42 0.00 -0.10 1.46 4.64 -1.15 -2.91 113.55 115.91 3g4f h SER 381 Ca 0.05 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 3g4f h SER 381 Cb 0.76 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3g4f h SER 381 CO 0.06 0.00 -0.48 1.88 -0.87 0.00 0.00 176.83 177.42 3g4f h TYR 382 N 0.00 0.68 -0.80 4.77 0.05 -1.06 -2.19 116.97 118.42 3g4f h TYR 382 Ca 0.00 -0.30 0.18 0.00 0.05 0.00 0.00 58.73 58.66 3g4f h TYR 382 Cb 0.88 -0.11 -0.11 0.00 1.01 0.00 0.00 36.73 38.40 3g4f h TYR 382 CO 0.00 1.07 0.27 1.25 -1.05 0.00 0.00 178.16 179.70 3g4f h LEU 383 N 0.09 0.17 -0.01 3.88 6.46 -1.25 0.47 115.31 125.12 3g4f h LEU 383 Ca -0.03 0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 57.78 3g4f h LEU 383 Cb 1.13 0.16 0.01 0.00 -0.73 0.00 0.00 40.66 41.22 3g4f h LEU 383 CO 0.10 -0.00 -0.34 0.58 -0.62 0.00 0.00 178.44 178.16 3g4f h VAL 384 N 0.35 1.50 -0.79 1.05 2.07 -1.43 -2.60 116.25 116.39 3g4f h VAL 384 Ca 0.47 -1.94 0.17 0.00 0.82 0.00 0.00 66.70 66.22 3g4f h VAL 384 Cb 0.83 2.65 -0.11 0.00 -1.52 0.00 0.00 31.29 33.14 3g4f h VAL 384 CO -0.51 0.54 0.29 -0.08 0.02 0.00 0.00 177.57 177.83 3g4f h GLU 385 N -0.35 0.37 -0.53 1.57 4.81 -0.93 -2.61 114.58 116.91 3g4f h GLU 385 Ca -0.04 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3g4f h GLU 385 Cb 1.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3g4f h GLU 385 CO 0.07 0.24 0.33 0.00 -0.73 0.00 0.00 179.01 178.92 3g4f h ALA 386 N 1.61 0.68 -0.61 2.92 0.00 -0.74 -1.50 119.26 121.63 3g4f h ALA 386 Ca 0.45 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.37 3g4f h ALA 386 Cb 0.76 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3g4f h ALA 386 CO -0.47 0.15 0.40 -0.22 0.00 0.00 0.00 179.25 179.11 3g4f h LYS 387 N 0.72 0.56 -0.36 0.00 3.64 -1.10 -0.09 116.57 119.94 3g4f h LYS 387 Ca 0.19 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3g4f h LYS 387 Cb -0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3g4f h LYS 387 CO -0.04 0.37 -0.32 -1.49 -2.27 0.00 0.00 179.45 175.71 3g4f h TRP 388 N 0.58 0.92 0.20 1.91 6.55 -1.00 -0.44 115.95 124.66 3g4f h TRP 388 Ca 0.26 -0.25 -0.34 0.00 0.95 0.00 0.00 58.89 59.52 3g4f h TRP 388 Cb 0.29 -0.21 0.02 0.00 -0.86 0.00 0.00 29.16 28.40 3g4f h TRP 388 CO -0.00 1.00 -1.60 1.79 -1.05 0.00 0.00 178.44 178.58 3g4f h THR 389 N 0.67 1.11 0.00 1.49 1.35 -1.06 -2.82 112.91 113.66 3g4f h THR 389 Ca 0.07 -2.65 -0.05 0.00 -0.55 0.00 0.00 66.41 63.23 3g4f h THR 389 Cb 0.86 2.86 -0.01 0.00 -1.73 0.00 0.00 68.15 70.13 3g4f h THR 389 CO 0.07 0.84 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.90 3g4f h LEU 390 N 0.11 0.00 -2.64 3.87 3.38 -1.09 -3.22 115.31 115.72 3g4f h LEU 390 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3g4f h LEU 390 Cb 2.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.85 3g4f h LEU 390 CO 0.21 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3g4f n GLN 391 N -3.20 2.51 -1.99 1.13 6.02 -0.18 -5.01 117.38 116.66 3g4f n GLN 391 Ca 0.02 -1.96 -0.15 0.00 -0.01 0.00 0.00 57.00 54.89 3g4f n GLN 391 Cb 0.56 -1.28 0.02 0.00 1.02 0.00 0.00 30.24 30.55 3g4f n GLN 391 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3g4f n ASN 392 N 0.63 -2.12 -4.03 1.08 4.05 -1.08 -4.92 115.26 108.87 3g4f n ASN 392 Ca 0.12 -0.07 -0.31 0.00 0.45 0.00 0.00 54.58 54.77 3g4f n ASN 392 Cb 0.42 -0.62 -0.16 0.00 1.23 0.00 0.00 39.78 40.65 3g4f n ASN 392 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3g4f s TYR 393 N -0.59 2.60 -0.33 1.20 5.04 -1.13 -5.07 117.35 119.08 3g4f s TYR 393 Ca 0.15 -1.70 -0.29 0.00 -2.44 0.00 0.00 57.07 52.79 3g4f s TYR 393 Cb -0.02 -1.73 0.02 0.00 0.35 0.00 0.00 41.96 40.58 3g4f s TYR 393 CO 0.34 -0.77 1.11 0.21 -1.34 0.00 0.00 175.55 175.10 3g4f s LYS 394 N 1.34 4.03 0.41 4.97 2.47 -1.26 -4.84 119.74 126.85 3g4f s LYS 394 Ca -0.01 1.06 -0.23 0.00 -1.56 0.00 0.00 55.97 55.23 3g4f s LYS 394 Cb -0.16 -3.76 -0.10 0.00 -1.46 0.00 0.00 37.83 32.35 3g4f s LYS 394 CO -0.09 -0.96 1.00 -2.14 0.16 0.00 0.00 175.35 173.32 3g4f s PRO 395 N 3.77 4.20 1.35 4.03 0.02 -1.26 -5.05 135.00 142.06 3g4f s PRO 395 Ca 0.47 1.32 -0.19 0.00 0.02 0.00 0.00 61.00 62.62 3g4f s PRO 395 Cb -0.12 -2.39 0.35 0.00 0.02 0.00 0.00 34.50 32.35 3g4f s PRO 395 CO 0.17 -0.08 0.95 -1.54 -0.33 0.00 0.00 177.00 176.17 3g4f s SER 396 N -1.85 -0.54 0.02 2.53 1.04 -1.26 -4.82 113.70 108.82 3g4f s SER 396 Ca 0.59 1.10 -0.24 0.00 0.48 0.00 0.00 55.95 57.88 3g4f s SER 396 Cb -0.16 -1.63 -0.18 0.00 0.10 0.00 0.00 66.02 64.15 3g4f s SER 396 CO 0.21 -5.08 1.43 0.15 0.98 0.00 0.00 173.24 170.93 3g4f h PHE 397 N -3.22 0.04 0.00 5.02 -0.00 -1.96 -2.81 116.94 113.99 3g4f h PHE 397 Ca -0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.46 3g4f h PHE 397 Cb 1.34 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 37.28 3g4f h PHE 397 CO -2.07 0.35 -0.06 1.05 -0.00 0.00 0.00 178.31 177.57 3g4f h GLU 398 N -0.29 0.00 -0.76 1.11 4.11 -1.98 0.29 114.58 117.07 3g4f h GLU 398 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.47 3g4f h GLU 398 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3g4f h GLU 398 CO 0.00 0.00 0.48 1.49 0.07 0.00 0.00 179.01 181.05 3g4f h GLU 399 N 0.00 0.91 0.00 1.06 4.81 -1.93 -0.30 114.58 119.13 3g4f h GLU 399 Ca 0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3g4f h GLU 399 Cb 0.99 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3g4f h GLU 399 CO 0.00 0.60 -0.00 0.35 -0.73 0.00 0.00 179.01 179.23 3g4f h PHE 400 N 0.94 -0.00 -0.81 0.92 3.57 -1.10 -3.06 116.94 117.40 3g4f h PHE 400 Ca 0.30 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.98 3g4f h PHE 400 Cb 0.01 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 38.60 3g4f h PHE 400 CO -0.03 0.71 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.43 3g4f h LYS 401 N -0.72 0.03 0.00 1.11 3.64 -0.41 -2.08 116.57 118.15 3g4f h LYS 401 Ca -0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3g4f h LYS 401 Cb 0.71 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3g4f h LYS 401 CO 0.00 0.02 -0.10 0.00 -2.27 0.00 0.00 179.45 177.10 3g4f h ALA 402 N 1.79 1.07 -0.01 5.00 0.00 -0.98 -3.27 119.26 122.87 3g4f h ALA 402 Ca 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3g4f h ALA 402 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3g4f h ALA 402 CO -0.79 0.12 -0.14 0.09 0.00 0.00 0.00 179.25 178.54 3g4f n ASN 403 N -3.31 1.46 -0.00 0.00 4.13 -0.82 -4.72 115.26 112.00 3g4f n ASN 403 Ca -0.00 -1.23 -0.22 0.00 1.68 0.00 0.00 54.58 54.81 3g4f n ASN 403 Cb 0.31 0.31 -0.14 0.00 -1.54 0.00 0.00 39.78 38.73 3g4f n ASN 403 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g4f h ALA 404 N 1.91 0.26 -0.77 5.41 0.00 -1.52 -3.38 119.26 121.16 3g4f h ALA 404 Ca 0.00 -1.19 0.04 0.00 0.00 0.00 0.00 54.91 53.76 3g4f h ALA 404 Cb 0.39 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3g4f h ALA 404 CO 0.00 0.96 0.51 -0.07 0.00 0.00 0.00 179.25 180.65 3g4f h LEU 405 N -0.25 0.79 -0.62 0.00 3.38 -1.85 -2.37 115.31 114.39 3g4f h LEU 405 Ca -0.35 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3g4f h LEU 405 Cb 1.81 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3g4f h LEU 405 CO 0.04 0.53 0.00 -2.65 0.09 0.00 0.00 178.44 176.46 3g4f n PRO 406 N -4.46 1.29 -0.10 1.13 -0.02 -1.26 -3.03 135.00 128.56 3g4f n PRO 406 Ca 0.10 -0.35 0.11 0.00 -2.02 0.00 0.00 63.50 61.34 3g4f n PRO 406 Cb 0.15 -1.22 0.32 0.00 -0.02 0.00 0.00 33.50 32.73 3g4f n PRO 406 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g4f n THR 407 N -0.14 0.26 0.07 3.45 -2.24 -0.89 -4.46 114.28 110.32 3g4f n THR 407 Ca 0.03 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 3g4f n THR 407 Cb 0.16 0.62 -0.15 0.00 -2.10 0.00 0.00 70.33 68.86 3g4f n THR 407 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g4f n GLY 409 N 1.63 0.46 0.11 0.00 0.00 -1.26 -4.89 105.19 101.24 3g4f n GLY 409 Ca -0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 3g4f n GLY 409 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g4f h TYR 410 N 0.00 0.00 -0.31 1.61 -1.99 -1.92 -1.28 116.97 113.07 3g4f h TYR 410 Ca -0.00 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 3g4f h TYR 410 Cb 0.08 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 3g4f h TYR 410 CO 0.05 0.73 -0.02 0.00 -0.00 0.00 0.00 178.16 178.92 3g4f h ALA 411 N 1.27 0.43 -0.87 3.88 0.00 -1.90 -0.68 119.26 121.39 3g4f h ALA 411 Ca -0.01 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3g4f h ALA 411 Cb 1.48 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 3g4f h ALA 411 CO 0.09 0.20 0.55 1.98 0.00 0.00 0.00 179.25 182.07 3g4f h MET 412 N 0.36 1.01 0.07 0.00 1.85 -1.86 -1.13 114.93 115.23 3g4f h MET 412 Ca 0.09 -0.06 -0.29 0.00 -0.61 0.00 0.00 59.70 58.83 3g4f h MET 412 Cb 0.47 -0.23 0.03 0.00 0.43 0.00 0.00 31.60 32.30 3g4f h MET 412 CO 0.02 0.67 -1.16 -0.07 -0.40 0.00 0.00 176.91 175.97 3g4f h LEU 413 N 1.04 0.90 0.57 3.39 3.38 -1.15 -1.75 115.31 121.70 3g4f h LEU 413 Ca 0.36 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 3g4f h LEU 413 Cb 0.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3g4f h LEU 413 CO -0.14 1.58 -0.33 0.00 0.09 0.00 0.00 178.44 179.65 3g4f h ALA 414 N 0.34 -1.18 -0.82 1.53 0.00 -0.97 0.80 119.26 118.97 3g4f h ALA 414 Ca -0.16 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.74 3g4f h ALA 414 Cb 1.82 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 19.88 3g4f h ALA 414 CO 0.22 -1.14 -0.14 0.82 0.00 0.00 0.00 179.25 179.02 3g4f h ILE 415 N -0.83 0.20 0.00 0.00 2.04 -1.30 0.13 117.51 117.74 3g4f h ILE 415 Ca -0.08 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 3g4f h ILE 415 Cb 0.66 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3g4f h ILE 415 CO 0.09 0.00 -0.36 0.74 0.00 0.00 0.00 178.15 178.62 3g4f h THR 416 N 0.02 1.00 0.00 -0.27 2.02 -1.16 -2.43 112.91 112.10 3g4f h THR 416 Ca 0.41 -1.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.16 3g4f h THR 416 Cb 0.68 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3g4f h THR 416 CO -0.81 0.36 -0.27 0.77 0.37 0.00 0.00 175.52 175.94 3g4f h SER 417 N 0.00 0.00 0.77 4.18 4.64 0.18 -1.47 113.55 121.84 3g4f h SER 417 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3g4f h SER 417 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3g4f h SER 417 CO 0.05 0.27 -0.16 -0.26 -0.87 0.00 0.00 176.83 175.85 3g4f h PHE 418 N 0.00 0.00 -0.65 4.77 0.05 -1.15 -3.21 116.94 116.75 3g4f h PHE 418 Ca -0.00 0.00 0.08 0.00 3.82 0.00 0.00 57.97 61.87 3g4f h PHE 418 Cb 0.47 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.38 3g4f h PHE 418 CO 0.00 0.16 0.43 0.28 -0.18 0.00 0.00 178.31 179.00 3g4f h VAL 419 N 0.00 0.95 -0.28 -0.55 2.07 -1.32 -2.54 116.25 114.58 3g4f h VAL 419 Ca -0.00 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3g4f h VAL 419 Cb 0.59 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3g4f h VAL 419 CO 0.02 0.10 -0.01 0.61 0.02 0.00 0.00 177.57 178.31 3g4f n GLY 420 N -1.49 4.36 3.77 2.17 0.00 -1.21 -4.96 105.19 107.84 3g4f n GLY 420 Ca 0.10 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 3g4f n GLY 420 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g4f n MET 421 N -0.77 -0.20 0.00 1.61 2.00 -0.96 -4.11 117.12 114.69 3g4f n MET 421 Ca 0.25 -2.58 0.00 0.00 0.00 0.00 0.00 57.70 55.37 3g4f n MET 421 Cb 0.93 -0.71 0.00 0.00 0.00 0.00 0.00 33.22 33.44 3g4f n MET 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3g4f n GLY 422 N -2.55 1.39 0.31 3.03 0.00 -1.26 -4.90 105.19 101.21 3g4f n GLY 422 Ca 0.16 -1.83 0.20 0.00 0.00 0.00 0.00 46.02 44.55 3g4f n GLY 422 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g4f h ASP 423 N 0.00 0.00 0.00 1.61 3.32 -2.00 -1.71 116.42 117.64 3g4f h ASP 423 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g4f h ASP 423 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g4f h ASP 423 CO 0.00 0.00 0.05 -0.29 -1.72 0.00 0.00 179.24 177.28 3g4f h ILE 424 N 0.00 0.00 -3.35 0.35 6.09 -2.02 -3.40 117.51 115.18 3g4f h ILE 424 Ca 0.00 0.00 -0.68 0.00 -1.37 0.00 0.00 64.86 62.81 3g4f h ILE 424 Cb 0.07 0.53 -0.15 0.00 0.47 0.00 0.00 36.82 37.74 3g4f h ILE 424 CO 0.00 0.00 -0.63 -0.69 -3.07 0.00 0.00 178.15 173.76 3g4f s VAL 425 N -3.62 4.27 0.13 2.19 1.01 -0.65 -4.89 120.40 118.84 3g4f s VAL 425 Ca -0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 3g4f s VAL 425 Cb 0.07 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.66 3g4f s VAL 425 CO 0.22 0.60 0.27 0.28 0.00 0.00 0.00 175.10 176.47 3g4f s THR 426 N -0.88 0.10 0.43 3.92 -1.32 -1.26 -4.95 115.64 111.67 3g4f s THR 426 Ca 0.13 -1.17 0.13 0.00 -1.21 0.00 0.00 61.69 59.57 3g4f s THR 426 Cb -0.11 -1.53 0.32 0.00 -1.51 0.00 0.00 72.50 69.67 3g4f s THR 426 CO 0.02 -0.44 1.98 -0.65 -2.21 0.00 0.00 174.62 173.33 3g4f h PRO 427 N 2.59 0.43 0.00 7.08 0.11 -1.98 0.77 132.00 141.00 3g4f h PRO 427 Ca -0.33 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 3g4f h PRO 427 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3g4f h PRO 427 CO 0.51 0.28 -0.01 0.93 -0.21 0.00 0.00 178.00 179.51 3g4f h GLU 428 N 0.44 0.00 -0.35 1.05 3.07 -1.99 -2.05 114.58 114.75 3g4f h GLU 428 Ca 0.27 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.10 3g4f h GLU 428 Cb 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3g4f h GLU 428 CO -0.08 0.01 0.10 1.15 -1.40 0.00 0.00 179.01 178.79 3g4f h THR 429 N 0.00 1.22 0.00 1.13 2.02 0.18 -1.65 112.91 115.81 3g4f h THR 429 Ca -0.00 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 3g4f h THR 429 Cb 0.01 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3g4f h THR 429 CO 0.00 0.25 -0.14 -0.26 0.37 0.00 0.00 175.52 175.73 3g4f h PHE 430 N 0.42 0.00 0.00 3.16 0.04 -1.31 -1.21 116.94 118.04 3g4f h PHE 430 Ca 0.11 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.73 3g4f h PHE 430 Cb 0.28 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 3g4f h PHE 430 CO 0.01 0.14 -0.73 -0.22 -0.60 0.00 0.00 178.31 176.92 3g4f h LYS 431 N 0.00 0.00 0.04 1.51 1.63 -0.76 -2.55 116.57 116.44 3g4f h LYS 431 Ca -0.00 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 3g4f h LYS 431 Cb 0.59 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.23 3g4f h LYS 431 CO 0.02 0.73 -0.81 2.35 -3.45 0.00 0.00 179.45 178.29 3g4f h TRP 432 N 0.00 0.75 -0.58 1.91 7.01 -0.90 -3.20 115.95 120.93 3g4f h TRP 432 Ca -0.01 -0.43 -0.05 0.00 2.11 0.00 0.00 58.89 60.51 3g4f h TRP 432 Cb 1.30 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 28.26 3g4f h TRP 432 CO 0.00 1.27 0.17 0.00 -2.79 0.00 0.00 178.44 177.09 3g4f h ALA 433 N 0.30 1.21 0.00 2.65 0.00 -1.23 -2.68 119.26 119.51 3g4f h ALA 433 Ca -0.11 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3g4f h ALA 433 Cb 1.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3g4f h ALA 433 CO 0.16 0.55 -0.37 0.00 0.00 0.00 0.00 179.25 179.58 3g4f h ALA 434 N 1.34 1.28 0.00 0.00 0.00 -1.54 -3.05 119.26 117.28 3g4f h ALA 434 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3g4f h ALA 434 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g4f h ALA 434 CO -0.01 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 3g4f n SER 435 N -3.94 0.00 -2.34 0.00 3.41 -1.01 -4.94 113.62 104.80 3g4f n SER 435 Ca -0.02 -1.19 -0.06 0.00 -0.26 0.00 0.00 58.87 57.34 3g4f n SER 435 Cb 0.43 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3g4f n SER 435 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3g4f n ASP 436 N -0.86 -4.42 -4.81 4.04 2.03 -1.15 -5.02 116.55 106.35 3g4f n ASP 436 Ca 0.16 -0.28 -0.30 0.00 0.52 0.00 0.00 54.79 54.89 3g4f n ASP 436 Cb 0.07 -2.90 0.08 0.00 -0.72 0.00 0.00 41.12 37.66 3g4f n ASP 436 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3g4f s PRO 437 N -3.54 2.32 0.47 -0.67 0.05 -1.26 -4.65 135.00 127.72 3g4f s PRO 437 Ca 0.18 0.69 0.15 0.00 0.05 0.00 0.00 61.00 62.07 3g4f s PRO 437 Cb -0.02 -1.94 1.13 0.00 0.05 0.00 0.00 34.50 33.71 3g4f s PRO 437 CO 0.37 -1.47 2.06 0.87 0.05 0.00 0.00 177.00 178.87 3g4f h LYS 438 N -0.98 0.24 -0.08 4.56 6.56 -1.96 -0.96 116.57 123.95 3g4f h LYS 438 Ca -0.46 -0.01 -0.18 0.00 -1.06 0.00 0.00 60.65 58.93 3g4f h LYS 438 Cb 1.26 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.86 3g4f h LYS 438 CO 0.59 0.16 -0.72 0.97 -2.06 0.00 0.00 179.45 178.39 3g4f h ILE 439 N 0.25 1.38 -0.23 1.86 2.10 -1.92 0.13 117.51 121.08 3g4f h ILE 439 Ca 0.15 -2.13 -0.16 0.00 1.08 0.00 0.00 64.86 63.81 3g4f h ILE 439 Cb 0.30 2.10 -0.01 0.00 -1.09 0.00 0.00 36.82 38.13 3g4f h ILE 439 CO -0.03 0.64 -0.51 0.40 -1.08 0.00 0.00 178.15 177.57 3g4f h ILE 440 N 0.27 1.31 0.57 2.19 2.04 -1.61 -2.73 117.51 119.55 3g4f h ILE 440 Ca -0.03 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.09 3g4f h ILE 440 Cb 1.29 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 3g4f h ILE 440 CO 0.12 0.55 -0.43 1.56 0.00 0.00 0.00 178.15 179.95 3g4f h GLN 441 N 0.50 -0.94 -0.75 2.37 4.20 -0.98 -0.65 115.11 118.86 3g4f h GLN 441 Ca 0.02 0.06 0.17 0.00 0.06 0.00 0.00 58.65 58.96 3g4f h GLN 441 Cb 1.06 0.21 -0.12 0.00 0.30 0.00 0.00 27.48 28.93 3g4f h GLN 441 CO 0.10 -0.62 0.14 0.00 -0.67 0.00 0.00 178.83 177.78 3g4f h ALA 442 N -0.72 0.94 0.00 3.87 0.00 -1.00 0.10 119.26 122.45 3g4f h ALA 442 Ca -0.07 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3g4f h ALA 442 Cb 0.82 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3g4f h ALA 442 CO 0.01 -0.37 -0.44 0.66 0.00 0.00 0.00 179.25 179.11 3g4f h SER 443 N 0.22 0.00 0.24 0.00 4.64 -1.21 -0.78 113.55 116.66 3g4f h SER 443 Ca 0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 3g4f h SER 443 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3g4f h SER 443 CO -0.56 0.44 -0.12 0.74 -0.87 0.00 0.00 176.83 176.46 3g4f h THR 444 N 0.00 0.78 -0.84 2.95 2.02 0.69 0.37 112.91 118.87 3g4f h THR 444 Ca -0.00 -0.78 0.12 0.00 0.77 0.00 0.00 66.41 66.52 3g4f h THR 444 Cb 0.78 1.18 -0.13 0.00 -1.74 0.00 0.00 68.15 68.24 3g4f h THR 444 CO 0.06 0.15 -0.43 0.40 0.37 0.00 0.00 175.52 176.07 3g4f h ILE 445 N -0.77 0.04 -0.50 3.11 1.08 -0.79 0.24 117.51 119.93 3g4f h ILE 445 Ca -0.03 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 3g4f h ILE 445 Cb 0.50 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 34.24 3g4f h ILE 445 CO 0.05 0.00 0.20 0.40 -0.69 0.00 0.00 178.15 178.12 3g4f h ILE 446 N -0.08 0.87 0.51 -0.67 2.04 -1.03 0.96 117.51 120.12 3g4f h ILE 446 Ca 0.26 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 3g4f h ILE 446 Cb 0.55 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3g4f h ILE 446 CO -0.87 0.07 -0.25 0.00 0.00 0.00 0.00 178.15 177.11 3g4f h ARG 448 N -0.78 0.51 0.00 0.00 9.65 -0.49 -0.61 114.38 122.66 3g4f h ARG 448 Ca -0.07 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.65 3g4f h ARG 448 Cb 0.53 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 3g4f h ARG 448 CO 0.12 0.34 -0.59 0.74 2.80 0.00 0.00 179.97 183.37 3g4f h PHE 449 N 0.52 0.00 0.08 2.20 -1.00 -0.83 -2.62 116.94 115.30 3g4f h PHE 449 Ca 0.46 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.97 3g4f h PHE 449 Cb 0.69 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.24 3g4f h PHE 449 CO -0.13 0.59 -1.30 0.52 -1.61 0.00 0.00 178.31 176.38 3g4f h MET 450 N 0.00 0.18 0.00 1.51 2.86 -0.85 -3.16 114.93 115.47 3g4f h MET 450 Ca -0.01 -0.31 -0.09 0.00 -2.06 0.00 0.00 59.70 57.23 3g4f h MET 450 Cb 1.28 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.04 3g4f h MET 450 CO 0.08 1.08 -0.44 0.22 1.06 0.00 0.00 176.91 178.91 3g4f h ASP 451 N 0.05 0.00 0.13 1.22 -0.00 -1.15 -1.64 116.42 115.03 3g4f h ASP 451 Ca -0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 56.88 3g4f h ASP 451 Cb 1.94 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.27 3g4f h ASP 451 CO 0.16 0.44 -0.06 0.44 -0.00 0.00 0.00 179.24 180.22 3g4f h ASP 452 N 0.00 -0.15 -0.70 2.28 3.32 -1.55 -2.91 116.42 116.72 3g4f h ASP 452 Ca -0.00 -0.05 0.14 0.00 0.02 0.00 0.00 57.03 57.14 3g4f h ASP 452 Cb 0.80 0.04 -0.13 0.00 0.22 0.00 0.00 39.33 40.26 3g4f h ASP 452 CO 0.06 0.35 -0.19 0.58 -1.72 0.00 0.00 179.24 178.32 3g4f h VAL 453 N -1.04 0.28 -0.14 -1.35 2.07 -1.62 0.08 116.25 114.53 3g4f h VAL 453 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3g4f h VAL 453 Cb 0.19 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3g4f h VAL 453 CO 0.03 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.69 3g4f h ALA 454 N 1.65 1.87 0.20 1.67 0.00 -1.40 0.32 119.26 123.58 3g4f h ALA 454 Ca 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3g4f h ALA 454 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3g4f h ALA 454 CO -0.73 0.11 -0.10 0.93 0.00 0.00 0.00 179.25 179.47 3g4f h GLU 455 N 0.18 -0.26 0.16 0.00 5.08 -0.80 -2.81 114.58 116.14 3g4f h GLU 455 Ca 0.05 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3g4f h GLU 455 Cb 0.01 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3g4f h GLU 455 CO -0.01 -0.04 -0.34 1.25 -1.00 0.00 0.00 179.01 178.87 3g4f h HIS 456 N -1.03 -0.92 0.00 4.33 2.76 -1.14 -3.28 115.15 115.87 3g4f h HIS 456 Ca -0.03 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3g4f h HIS 456 Cb 0.34 0.38 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 3g4f h HIS 456 CO 0.03 -0.45 -0.03 -0.22 -1.30 0.00 0.00 177.93 175.96 3g4f h LYS 457 N -0.59 -0.04 -0.03 5.26 3.64 -0.51 -3.51 116.57 120.78 3g4f h LYS 457 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3g4f h LYS 457 Cb 0.60 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3g4f h LYS 457 CO -0.17 -0.03 0.00 1.19 -2.27 0.00 0.00 179.45 178.17 3g4f n PHE 458 N -2.66 0.01 0.00 1.91 3.72 -1.06 -5.08 117.46 114.30 3g4f n PHE 458 Ca -0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3g4f n PHE 458 Cb 0.02 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 3g4f n PHE 458 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3g4f n ASP 465 N 0.70 0.00 -3.06 4.37 8.00 -1.26 -5.02 116.55 120.27 3g4f n ASP 465 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 3g4f n ASP 465 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 3g4f n ASP 465 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g4f s SER 467 N -0.31 1.90 0.27 0.00 0.15 -1.26 -5.03 113.70 109.43 3g4f s SER 467 Ca 0.00 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.34 3g4f s SER 467 Cb 0.00 -0.87 0.39 0.00 -1.71 0.00 0.00 66.02 63.83 3g4f s SER 467 CO 0.00 0.04 1.74 0.00 1.20 0.00 0.00 173.24 176.21 3g4f h ALA 468 N 7.01 1.11 0.13 5.45 0.00 -1.95 -1.83 119.26 129.18 3g4f h ALA 468 Ca -0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3g4f h ALA 468 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3g4f h ALA 468 CO 0.47 0.55 -0.06 0.82 0.00 0.00 0.00 179.25 181.03 3g4f h ILE 469 N 0.54 1.04 -0.89 0.00 1.08 -1.96 -0.30 117.51 117.02 3g4f h ILE 469 Ca 0.09 -0.83 0.22 0.00 -0.39 0.00 0.00 64.86 63.95 3g4f h ILE 469 Cb 0.58 1.54 -0.12 0.00 -3.07 0.00 0.00 36.82 35.75 3g4f h ILE 469 CO 0.04 0.19 0.38 -0.08 -0.69 0.00 0.00 178.15 177.99 3g4f h GLU 470 N -0.58 0.38 -0.22 2.37 4.57 -1.94 0.57 114.58 119.73 3g4f h GLU 470 Ca -0.02 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 3g4f h GLU 470 Cb 0.45 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 3g4f h GLU 470 CO 0.03 0.25 -0.24 0.00 -1.18 0.00 0.00 179.01 177.87 3g4f h TYR 472 N 0.25 1.05 -0.09 0.00 3.20 0.36 -1.33 116.97 120.41 3g4f h TYR 472 Ca 0.03 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.96 3g4f h TYR 472 Cb 0.79 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 3g4f h TYR 472 CO 0.08 0.60 -0.08 0.52 -1.64 0.00 0.00 178.16 177.65 3g4f h MET 473 N 1.09 -0.09 -0.76 1.82 2.86 -0.85 -2.25 114.93 116.75 3g4f h MET 473 Ca 0.35 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.99 3g4f h MET 473 Cb 0.01 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 3g4f h MET 473 CO -0.12 -0.06 0.44 0.93 1.06 0.00 0.00 176.91 179.16 3g4f h GLU 474 N -0.09 1.04 -0.04 1.72 5.08 -1.21 0.39 114.58 121.46 3g4f h GLU 474 Ca 0.06 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 3g4f h GLU 474 Cb 0.18 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3g4f h GLU 474 CO -0.15 0.75 -0.63 1.49 -1.00 0.00 0.00 179.01 179.48 3g4f h GLU 475 N 1.04 0.16 0.00 2.33 4.57 -0.95 -3.28 114.58 118.45 3g4f h GLU 475 Ca 0.27 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3g4f h GLU 475 Cb -0.01 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3g4f h GLU 475 CO -0.05 0.73 0.00 0.66 -1.18 0.00 0.00 179.01 179.18 3g4f n TYR 476 N -3.84 0.00 -3.37 0.92 4.01 -0.87 -5.04 117.16 108.97 3g4f n TYR 476 Ca -0.02 -0.01 -0.14 0.00 -0.16 0.00 0.00 57.90 57.56 3g4f n TYR 476 Cb 0.63 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.68 3g4f n TYR 476 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g4f n GLY 477 N -0.01 -1.18 0.78 2.72 0.00 0.13 -5.02 105.19 102.60 3g4f n GLY 477 Ca 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 46.02 46.47 3g4f n GLY 477 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3g4f n VAL 478 N -2.75 0.00 -3.84 1.61 0.24 -1.06 -5.05 118.33 107.48 3g4f n VAL 478 Ca -0.09 -0.55 -0.21 0.00 -2.04 0.00 0.00 64.34 61.44 3g4f n VAL 478 Cb 0.58 0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 33.10 3g4f n VAL 478 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3g4f s THR 479 N -1.88 3.34 0.18 3.34 -4.23 -1.26 -4.69 115.64 110.44 3g4f s THR 479 Ca 0.05 -1.43 -0.19 0.00 -1.18 0.00 0.00 61.69 58.94 3g4f s THR 479 Cb 0.00 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.83 3g4f s THR 479 CO 0.03 -0.16 1.62 0.00 -0.54 0.00 0.00 174.62 175.57 3g4f h ALA 480 N 1.28 0.05 0.42 3.99 0.00 -1.98 0.16 119.26 123.18 3g4f h ALA 480 Ca -0.44 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3g4f h ALA 480 Cb 1.25 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 3g4f h ALA 480 CO 0.59 -0.60 -0.38 0.37 0.00 0.00 0.00 179.25 179.23 3g4f h GLN 481 N -0.15 -0.79 -0.38 0.00 5.75 -1.99 0.29 115.11 117.85 3g4f h GLN 481 Ca 0.21 0.05 0.11 0.00 -0.15 0.00 0.00 58.65 58.87 3g4f h GLN 481 Cb 0.48 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 3g4f h GLN 481 CO -0.54 -0.52 0.43 0.93 -2.65 0.00 0.00 178.83 176.47 3g4f h GLU 482 N -0.81 0.00 0.10 1.69 5.08 -1.83 0.32 114.58 119.12 3g4f h GLU 482 Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3g4f h GLU 482 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3g4f h GLU 482 CO -0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 177.92 3g4f h ALA 483 N 1.50 -0.13 -0.90 3.43 0.00 0.74 -2.90 119.26 120.99 3g4f h ALA 483 Ca 0.18 -0.16 0.24 0.00 0.00 0.00 0.00 54.91 55.18 3g4f h ALA 483 Cb 1.04 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.73 3g4f h ALA 483 CO -0.00 -0.14 0.11 1.88 0.00 0.00 0.00 179.25 181.09 3g4f h TYR 484 N -1.00 0.11 -0.28 0.00 0.99 0.51 0.21 116.97 117.52 3g4f h TYR 484 Ca -0.01 0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.83 3g4f h TYR 484 Cb 0.35 0.10 -0.08 0.00 1.00 0.00 0.00 36.73 38.10 3g4f h TYR 484 CO 0.07 -0.32 -0.42 -0.44 -0.00 0.00 0.00 178.16 177.04 3g4f h ASP 485 N 0.09 -1.37 -0.12 3.88 5.19 -0.42 -1.16 116.42 122.51 3g4f h ASP 485 Ca 0.55 0.20 -0.11 0.00 -0.62 0.00 0.00 57.03 57.05 3g4f h ASP 485 Cb 1.12 0.58 -0.01 0.00 0.18 0.00 0.00 39.33 41.20 3g4f h ASP 485 CO -0.78 -0.39 -0.27 0.58 -3.12 0.00 0.00 179.24 175.26 3g4f h VAL 486 N -0.40 1.27 0.11 -1.35 2.07 -0.44 -1.22 116.25 116.30 3g4f h VAL 486 Ca 0.11 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 3g4f h VAL 486 Cb 0.60 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3g4f h VAL 486 CO -0.49 0.43 -0.05 -0.26 0.02 0.00 0.00 177.57 177.22 3g4f h PHE 487 N 0.50 -0.14 -0.98 1.57 -1.00 -0.73 -2.05 116.94 114.12 3g4f h PHE 487 Ca 0.07 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.90 3g4f h PHE 487 Cb 0.74 0.05 -0.06 0.00 3.61 0.00 0.00 35.95 40.28 3g4f h PHE 487 CO 0.03 0.23 0.63 -0.91 -1.61 0.00 0.00 178.31 176.68 3g4f h ASN 488 N -0.54 1.01 -0.32 2.17 2.35 -1.22 0.16 115.58 119.19 3g4f h ASN 488 Ca -0.02 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3g4f h ASN 488 Cb 0.43 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3g4f h ASN 488 CO 0.03 0.65 0.28 0.11 -1.65 0.00 0.00 177.43 176.85 3g4f h LYS 489 N 1.16 0.00 0.17 0.81 1.57 -0.96 -0.89 116.57 118.42 3g4f h LYS 489 Ca 0.42 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.86 3g4f h LYS 489 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.46 3g4f h LYS 489 CO -0.17 0.00 -1.64 0.45 -0.57 0.00 0.00 179.45 177.52 3g4f h HIS 490 N 0.00 0.66 0.00 -1.35 3.86 -0.05 -3.09 115.15 115.19 3g4f h HIS 490 Ca 0.15 -0.48 0.03 0.00 -1.16 0.00 0.00 60.37 58.91 3g4f h HIS 490 Cb 0.72 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 29.12 3g4f h HIS 490 CO 0.00 1.56 -0.27 0.28 0.86 0.00 0.00 177.93 180.36 3g4f h VAL 491 N 0.10 0.40 -0.64 2.45 2.07 -0.19 0.44 116.25 120.88 3g4f h VAL 491 Ca -0.30 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.35 3g4f h VAL 491 Cb 2.08 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3g4f h VAL 491 CO 0.18 0.00 0.44 -0.33 0.02 0.00 0.00 177.57 177.88 3g4f h GLU 492 N -0.41 0.32 0.17 1.57 4.39 -1.29 0.21 114.58 119.53 3g4f h GLU 492 Ca 0.06 -0.02 -0.27 0.00 0.34 0.00 0.00 59.36 59.47 3g4f h GLU 492 Cb 0.49 -0.07 0.03 0.00 -0.10 0.00 0.00 28.75 29.10 3g4f h GLU 492 CO -0.23 0.21 -1.16 1.03 -1.16 0.00 0.00 179.01 177.70 3g4f h SER 493 N 0.33 0.73 -0.62 1.42 0.87 -1.35 -2.15 113.55 112.78 3g4f h SER 493 Ca 0.31 -0.89 0.13 0.00 -1.23 0.00 0.00 61.79 60.11 3g4f h SER 493 Cb 0.75 -0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 62.37 3g4f h SER 493 CO -0.08 1.56 0.01 0.00 -0.53 0.00 0.00 176.83 177.78 3g4f h ALA 494 N 0.18 0.62 -0.67 6.23 0.00 -0.36 -0.95 119.26 124.31 3g4f h ALA 494 Ca -0.19 0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3g4f h ALA 494 Cb 1.88 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 3g4f h ALA 494 CO 0.22 -0.39 0.44 -1.49 0.00 0.00 0.00 179.25 178.03 3g4f h TRP 495 N 0.12 0.78 -0.56 0.00 4.06 -0.47 -1.46 115.95 118.41 3g4f h TRP 495 Ca 0.33 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 61.21 3g4f h TRP 495 Cb 0.53 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 3g4f h TRP 495 CO -0.36 0.46 0.02 0.87 -3.56 0.00 0.00 178.44 175.87 3g4f h LYS 496 N 0.82 0.95 -0.66 0.49 1.57 -0.69 -1.89 116.57 117.17 3g4f h LYS 496 Ca 0.26 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3g4f h LYS 496 Cb 0.04 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3g4f h LYS 496 CO -0.07 0.93 0.31 -0.44 -0.57 0.00 0.00 179.45 179.61 3g4f h ASP 497 N 0.88 0.84 0.72 0.86 3.32 -0.35 -1.95 116.42 120.74 3g4f h ASP 497 Ca 0.17 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3g4f h ASP 497 Cb 0.48 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.83 3g4f h ASP 497 CO 0.02 0.72 -0.35 0.25 -1.72 0.00 0.00 179.24 178.16 3g4f h LEU 498 N 0.93 -0.82 -0.89 1.55 6.46 -0.80 -1.30 115.31 120.43 3g4f h LEU 498 Ca 0.23 0.03 0.23 0.00 -0.12 0.00 0.00 57.88 58.25 3g4f h LEU 498 Cb 0.10 0.21 -0.16 0.00 -0.73 0.00 0.00 40.66 40.09 3g4f h LEU 498 CO -0.03 -0.49 0.08 0.78 -0.62 0.00 0.00 178.44 178.16 3g4f h ASN 499 N -1.17 -0.31 -0.84 1.25 2.35 -1.36 -0.78 115.58 114.72 3g4f h ASN 499 Ca -0.10 0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3g4f h ASN 499 Cb 0.75 0.39 -0.04 0.00 0.05 0.00 0.00 38.32 39.46 3g4f h ASN 499 CO 0.16 -0.25 0.43 -0.61 -1.65 0.00 0.00 177.43 175.51 3g4f h GLN 500 N 0.09 1.20 0.00 0.81 5.75 -1.02 -1.47 115.11 120.46 3g4f h GLN 500 Ca 0.54 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.88 3g4f h GLN 500 Cb 1.06 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.39 3g4f h GLN 500 CO -0.78 0.90 0.00 0.39 -2.65 0.00 0.00 178.83 176.69 3g4f n GLU 501 N -4.32 0.06 0.02 1.69 -0.58 -0.30 -1.24 120.64 115.97 3g4f n GLU 501 Ca 0.09 0.56 0.11 0.00 -0.42 0.00 0.00 57.16 57.49 3g4f n GLU 501 Cb 0.12 -1.69 -0.05 0.00 -0.57 0.00 0.00 31.44 29.25 3g4f n GLU 501 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3g4f n PHE 502 N -1.82 0.22 -1.99 -0.32 3.01 -0.56 -4.65 117.46 111.35 3g4f n PHE 502 Ca -0.01 0.06 -0.42 0.00 1.01 0.00 0.00 57.45 58.10 3g4f n PHE 502 Cb 0.01 -0.44 -0.03 0.00 -0.01 0.00 0.00 39.48 39.02 3g4f n PHE 502 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3g4f s LEU 503 N -4.07 4.35 0.39 4.37 1.43 -0.37 -4.25 118.68 120.52 3g4f s LEU 503 Ca 0.01 2.39 -0.27 0.00 -1.03 0.00 0.00 54.13 55.23 3g4f s LEU 503 Cb 0.14 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.70 3g4f s LEU 503 CO 0.84 -0.86 1.41 -0.54 0.23 0.00 0.00 176.35 177.42 3g4f s LYS 504 N 2.72 4.04 0.43 1.70 1.02 -0.26 -4.26 119.74 125.12 3g4f s LYS 504 Ca 0.72 2.39 -0.11 0.00 0.02 0.00 0.00 55.97 59.00 3g4f s LYS 504 Cb -0.38 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 33.99 3g4f s LYS 504 CO 0.31 -0.52 0.80 -1.25 -0.92 0.00 0.00 175.35 173.76 3g4f s PRO 505 N -2.14 3.77 0.28 -1.68 0.05 -1.26 -4.89 135.00 129.13 3g4f s PRO 505 Ca 0.55 0.49 0.10 0.00 0.05 0.00 0.00 61.00 62.19 3g4f s PRO 505 Cb -0.43 -2.36 -0.05 0.00 0.05 0.00 0.00 34.50 31.72 3g4f s PRO 505 CO 0.57 -0.09 -0.02 0.95 0.05 0.00 0.00 177.00 178.46 3g4f s THR 506 N -2.45 3.17 -0.50 1.26 -4.23 -1.26 -5.00 115.64 106.63 3g4f s THR 506 Ca 0.52 -1.98 0.26 0.00 -1.18 0.00 0.00 61.69 59.30 3g4f s THR 506 Cb -0.10 -2.77 0.30 0.00 1.34 0.00 0.00 72.50 71.27 3g4f s THR 506 CO 0.33 -0.34 1.75 -0.33 -0.54 0.00 0.00 174.62 175.49 3g4f h GLU 507 N 1.91 0.00 -3.14 3.99 5.08 -1.94 -3.47 114.58 117.01 3g4f h GLU 507 Ca -0.43 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 3g4f h GLU 507 Cb 1.25 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.37 3g4f h GLU 507 CO 0.61 0.00 0.02 -1.64 -1.00 0.00 0.00 179.01 177.01 3g4f s MET 508 N -3.25 1.11 0.77 2.33 -1.94 -1.26 -5.13 119.30 111.93 3g4f s MET 508 Ca 0.07 -0.53 -0.15 0.00 -1.71 0.00 0.00 55.69 53.38 3g4f s MET 508 Cb 0.10 0.50 0.05 0.00 2.01 0.00 0.00 34.83 37.49 3g4f s MET 508 CO 0.56 -0.44 1.16 -2.30 -0.01 0.00 0.00 175.02 174.00 3g4f n PRO 509 N -0.09 0.40 -0.35 2.03 -0.02 -1.26 -4.72 135.00 130.99 3g4f n PRO 509 Ca -0.17 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.61 3g4f n PRO 509 Cb 0.63 -2.41 0.29 0.00 -0.02 0.00 0.00 33.50 31.99 3g4f n PRO 509 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3g4f h THR 510 N -0.54 0.84 0.00 3.45 2.02 -1.99 0.28 112.91 116.97 3g4f h THR 510 Ca -0.47 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3g4f h THR 510 Cb 1.31 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3g4f h THR 510 CO 0.47 0.16 0.00 -0.33 0.37 0.00 0.00 175.52 176.19 3g4f h GLU 511 N 0.88 0.00 0.18 6.66 4.39 -1.98 -0.32 114.58 124.38 3g4f h GLU 511 Ca 0.52 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.97 3g4f h GLU 511 Cb 0.66 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.33 3g4f h GLU 511 CO -0.29 0.00 -1.12 0.28 -1.16 0.00 0.00 179.01 176.72 3g4f h VAL 512 N 0.00 1.37 -0.48 3.13 2.07 -1.29 -3.34 116.25 117.71 3g4f h VAL 512 Ca 0.00 -2.58 -0.10 0.00 0.82 0.00 0.00 66.70 64.84 3g4f h VAL 512 Cb 0.44 3.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 3g4f h VAL 512 CO 0.00 0.75 -0.11 -0.07 0.02 0.00 0.00 177.57 178.16 3g4f h LEU 513 N -0.18 0.88 -2.01 2.57 3.38 -0.93 -3.15 115.31 115.87 3g4f h LEU 513 Ca -0.20 -0.28 0.14 0.00 0.09 0.00 0.00 57.88 57.63 3g4f h LEU 513 Cb 1.85 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 3g4f h LEU 513 CO 0.19 1.00 0.36 0.78 0.09 0.00 0.00 178.44 180.86 3g4f h ASN 514 N 0.79 0.00 -0.93 -0.43 2.35 -1.20 0.24 115.58 116.40 3g4f h ASN 514 Ca 0.13 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.96 3g4f h ASN 514 Cb 0.63 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.93 3g4f h ASN 514 CO 0.04 0.00 0.58 0.03 -1.65 0.00 0.00 177.43 176.43 3g4f h ARG 515 N 0.00 0.99 0.04 0.81 -0.00 -1.68 0.30 114.38 114.84 3g4f h ARG 515 Ca 0.23 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.98 59.53 3g4f h ARG 515 Cb 0.95 -0.22 0.01 0.00 0.00 0.00 0.00 29.97 30.71 3g4f h ARG 515 CO -0.00 0.65 -0.49 0.77 0.00 0.00 0.00 179.97 180.90 3g4f h SER 516 N 1.02 0.36 -0.52 7.04 0.02 -0.72 -2.36 113.55 118.39 3g4f h SER 516 Ca 0.42 -0.85 0.10 0.00 -0.84 0.00 0.00 61.79 60.62 3g4f h SER 516 Cb 0.26 -0.11 -0.11 0.00 0.14 0.00 0.00 62.40 62.58 3g4f h SER 516 CO -0.20 1.17 -0.27 0.25 -1.14 0.00 0.00 176.83 176.64 3g4f h LEU 517 N -0.40 -0.93 -1.66 5.07 5.85 -1.20 -1.21 115.31 120.84 3g4f h LEU 517 Ca -0.07 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3g4f h LEU 517 Cb 1.28 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 3g4f h LEU 517 CO 0.09 -0.28 -0.09 0.78 -0.34 0.00 0.00 178.44 178.61 3g4f h ASN 518 N -0.14 0.10 -0.29 1.25 2.35 -0.30 0.19 115.58 118.73 3g4f h ASN 518 Ca 0.23 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.81 3g4f h ASN 518 Cb 0.51 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 3g4f h ASN 518 CO -0.61 0.20 -0.45 -0.07 -1.65 0.00 0.00 177.43 174.86 3g4f h LEU 519 N 0.11 0.90 -1.01 1.61 3.38 -0.82 0.35 115.31 119.83 3g4f h LEU 519 Ca 0.02 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.49 3g4f h LEU 519 Cb 0.22 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3g4f h LEU 519 CO 0.01 1.24 0.65 0.00 0.09 0.00 0.00 178.44 180.43 3g4f h ALA 520 N 0.69 1.27 -0.48 1.53 0.00 -0.11 -2.58 119.26 119.57 3g4f h ALA 520 Ca 0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3g4f h ALA 520 Cb 1.05 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3g4f h ALA 520 CO 0.10 0.67 0.04 0.00 0.00 0.00 0.00 179.25 180.06 3g4f h ARG 521 N 1.35 0.77 -0.95 0.00 3.08 -0.21 -2.64 114.38 115.79 3g4f h ARG 521 Ca 0.36 -0.19 0.08 0.00 0.07 0.00 0.00 59.98 60.31 3g4f h ARG 521 Cb -0.14 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 29.74 3g4f h ARG 521 CO -0.08 0.76 0.59 0.28 -1.07 0.00 0.00 179.97 180.45 3g4f h VAL 522 N 0.73 1.01 0.58 2.04 2.07 -0.54 -1.95 116.25 120.19 3g4f h VAL 522 Ca 0.15 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3g4f h VAL 522 Cb 0.39 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3g4f h VAL 522 CO 0.01 0.19 -0.28 0.24 0.02 0.00 0.00 177.57 177.75 3g4f h MET 523 N 1.03 -0.75 -0.73 1.57 2.86 -1.32 0.92 114.93 118.51 3g4f h MET 523 Ca 0.43 0.05 0.15 0.00 -2.06 0.00 0.00 59.70 58.28 3g4f h MET 523 Cb 0.28 0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 3g4f h MET 523 CO -0.21 -0.44 0.49 0.22 1.06 0.00 0.00 176.91 178.03 3g4f h ASP 524 N -0.94 0.34 0.24 1.22 1.82 -1.20 0.45 116.42 118.35 3g4f h ASP 524 Ca -0.08 0.02 -0.34 0.00 -0.39 0.00 0.00 57.03 56.24 3g4f h ASP 524 Cb 0.65 -0.05 0.03 0.00 0.68 0.00 0.00 39.33 40.63 3g4f h ASP 524 CO 0.13 0.17 -1.60 0.58 -1.61 0.00 0.00 179.24 176.91 3g4f h VAL 525 N 0.36 1.13 0.00 2.25 2.07 -1.34 -3.41 116.25 117.31 3g4f h VAL 525 Ca 0.36 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 65.25 3g4f h VAL 525 Cb 0.89 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 3g4f h VAL 525 CO -0.10 0.83 -1.28 0.18 0.02 0.00 0.00 177.57 177.22 3g4f n LEU 526 N -3.66 0.65 -2.75 2.57 4.32 0.31 -4.63 117.00 113.82 3g4f n LEU 526 Ca -0.20 -0.34 -0.20 0.00 -0.02 0.00 0.00 56.01 55.25 3g4f n LEU 526 Cb 1.09 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.89 3g4f n LEU 526 CO 0.57 0.16 0.01 -1.22 -1.22 0.00 0.00 177.39 175.69 3g4f n TYR 527 N -1.72 2.22 -4.30 -1.77 4.02 0.15 -4.97 117.16 110.79 3g4f n TYR 527 Ca 0.01 -3.29 -0.16 0.00 -0.01 0.00 0.00 57.90 54.46 3g4f n TYR 527 Cb 0.39 -0.31 -0.10 0.00 -0.02 0.00 0.00 39.34 39.30 3g4f n TYR 527 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 3g4f s ARG 528 N -3.20 1.37 -0.41 -0.72 1.70 -1.26 -4.80 118.95 111.63 3g4f s ARG 528 Ca 0.40 -1.73 -0.14 0.00 -0.47 0.00 0.00 55.73 53.78 3g4f s ARG 528 Cb 0.39 -0.18 -0.14 0.00 -0.57 0.00 0.00 34.95 34.45 3g4f s ARG 528 CO -0.09 -0.30 1.44 0.39 -1.08 0.00 0.00 175.30 175.66 3g4f n GLU 529 N -0.43 0.03 0.00 3.89 4.71 -1.26 -5.11 120.64 122.48 3g4f n GLU 529 Ca 0.00 -0.79 0.00 0.00 -0.01 0.00 0.00 57.16 56.37 3g4f n GLU 529 Cb 0.66 -2.33 0.00 0.00 -1.01 0.00 0.00 31.44 28.76 3g4f n GLU 529 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3g4f n TYR 535 N 10.92 0.00 -0.05 -0.32 4.02 -1.26 -5.16 117.16 125.31 3g4f n TYR 535 Ca 0.22 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.16 3g4f n TYR 535 Cb 0.45 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.89 3g4f n TYR 535 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3g4f n VAL 536 N 0.00 0.80 0.00 -0.72 0.24 -1.26 -5.01 118.33 112.38 3g4f n VAL 536 Ca 0.00 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 3g4f n VAL 536 Cb 0.00 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 3g4f n VAL 536 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g4f n GLY 537 N 0.50 1.82 0.31 7.63 0.00 -1.26 -4.15 105.19 110.04 3g4f n GLY 537 Ca 0.10 -1.56 0.18 0.00 0.00 0.00 0.00 46.02 44.75 3g4f n GLY 537 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4f h LYS 538 N 0.00 0.00 -0.02 1.61 6.56 -1.97 -0.79 116.57 121.95 3g4f h LYS 538 Ca 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.45 3g4f h LYS 538 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.67 3g4f h LYS 538 CO 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 179.45 176.87 3g4f h ALA 539 N 2.00 0.09 -0.01 3.86 0.00 -1.93 0.12 119.26 123.39 3g4f h ALA 539 Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3g4f h ALA 539 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3g4f h ALA 539 CO 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 179.25 179.38 3g4f h ALA 540 N 0.35 0.04 -0.23 0.00 0.00 -1.65 -2.10 119.26 115.67 3g4f h ALA 540 Ca -0.06 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.46 3g4f h ALA 540 Cb 1.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3g4f h ALA 540 CO 0.10 0.03 0.04 -0.22 0.00 0.00 0.00 179.25 179.21 3g4f h LYS 541 N -0.50 0.13 -0.72 0.00 3.64 -1.28 0.11 116.57 117.94 3g4f h LYS 541 Ca -0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3g4f h LYS 541 Cb 0.90 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 3g4f h LYS 541 CO 0.04 0.08 0.44 0.78 -2.27 0.00 0.00 179.45 178.52 3g4f h GLY 542 N 0.13 1.03 1.23 5.01 0.00 -0.79 -2.41 103.07 107.28 3g4f h GLY 542 Ca 0.11 -0.41 -0.32 0.00 0.00 0.00 0.00 47.33 46.70 3g4f h GLY 542 CO -0.14 0.40 -1.53 -1.33 0.00 0.00 0.00 176.54 173.95 3g4f h GLY 543 N 1.01 0.44 1.33 4.60 0.00 -1.19 -3.08 103.07 106.18 3g4f h GLY 543 Ca 0.26 -1.11 0.07 0.00 0.00 0.00 0.00 47.33 46.55 3g4f h GLY 543 CO -0.05 0.98 0.29 -2.22 0.00 0.00 0.00 176.54 175.53 3g4f h ILE 544 N 0.10 0.93 0.00 2.60 2.04 -0.83 -1.63 117.51 120.72 3g4f h ILE 544 Ca -0.25 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 3g4f h ILE 544 Cb 2.08 0.63 0.01 0.00 -0.74 0.00 0.00 36.82 38.80 3g4f h ILE 544 CO 0.21 0.05 -0.36 0.74 0.00 0.00 0.00 178.15 178.79 3g4f h THR 545 N 0.27 1.52 0.00 -0.27 2.02 -1.46 -1.45 112.91 113.54 3g4f h THR 545 Ca 0.19 -2.02 -0.13 0.00 0.77 0.00 0.00 66.41 65.23 3g4f h THR 545 Cb 0.40 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 3g4f h THR 545 CO -0.04 0.56 -0.61 0.77 0.37 0.00 0.00 175.52 176.57 3g4f h SER 546 N -0.41 0.00 0.75 4.18 4.64 -1.42 -0.65 113.55 120.65 3g4f h SER 546 Ca -0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3g4f h SER 546 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3g4f h SER 546 CO 0.07 0.61 -1.27 0.18 -0.87 0.00 0.00 176.83 175.55 3g4f n LEU 547 N -3.73 0.68 0.00 5.97 4.77 -0.63 -4.57 117.00 119.49 3g4f n LEU 547 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3g4f n LEU 547 Cb 0.62 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3g4f n LEU 547 CO 0.42 -0.09 -0.50 0.18 -1.33 0.00 0.00 177.39 176.07 3g4f n LEU 548 N -2.64 0.27 -0.10 2.23 4.77 -0.55 -4.75 117.00 116.23 3g4f n LEU 548 Ca -0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.79 3g4f n LEU 548 Cb 0.61 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3g4f n LEU 548 CO 0.42 0.04 -0.87 -0.38 -1.33 0.00 0.00 177.39 175.27 3g4f n ILE 549 N -2.04 1.50 -2.98 -0.08 5.41 -0.45 -4.92 119.36 115.81 3g4f n ILE 549 Ca 0.00 -0.03 -0.42 0.00 1.00 0.00 0.00 62.75 63.30 3g4f n ILE 549 Cb 0.50 -2.18 -0.05 0.00 -0.71 0.00 0.00 39.64 37.19 3g4f n ILE 549 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3g4f s GLU 550 N -2.66 3.62 1.08 0.38 2.02 -0.38 -5.04 118.70 117.72 3g4f s GLU 550 Ca -0.30 0.13 -0.18 0.00 0.02 0.00 0.00 54.97 54.64 3g4f s GLU 550 Cb 0.07 -3.86 0.24 0.00 0.10 0.00 0.00 34.13 30.69 3g4f s GLU 550 CO 0.44 -0.93 1.22 -1.25 0.02 0.00 0.00 175.26 174.76 3g4f s PRO 551 N 3.13 -0.28 -0.16 0.39 0.04 -1.26 -4.73 135.00 132.12 3g4f s PRO 551 Ca 0.30 -0.26 -0.05 0.00 0.04 0.00 0.00 61.00 61.03 3g4f s PRO 551 Cb -0.13 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 3g4f s PRO 551 CO 0.19 -3.05 0.01 0.42 0.04 0.00 0.00 177.00 174.60 3g4f s ILE 552 N -3.48 4.29 -0.38 0.56 1.01 -1.26 -5.05 121.20 116.88 3g4f s ILE 552 Ca 0.73 -0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.88 3g4f s ILE 552 Cb -0.06 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 3g4f s ILE 552 CO 0.54 0.49 1.68 0.00 0.00 0.00 0.00 174.94 177.65 3g4f s ALA 553 N 0.26 2.86 -1.29 9.38 0.00 -1.26 -4.98 121.76 126.73 3g4f s ALA 553 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3g4f s ALA 553 Cb -0.13 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 18.97 3g4f s ALA 553 CO 0.02 -2.67 0.32 1.28 0.00 0.00 0.00 175.76 174.71