#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3i s GLU 3 N 0.00 0.46 0.57 1.43 2.56 -1.26 -5.15 118.70 117.32 1g3i s GLU 3 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.97 54.71 1g3i s GLU 3 Cb 0.00 0.21 0.14 0.00 2.00 0.00 0.00 34.13 36.49 1g3i s GLU 3 CO 0.00 -0.20 0.48 -1.33 -0.56 0.00 0.00 175.26 173.65 1g3i n MET 4 N -0.12 -2.20 -4.38 4.30 2.81 -1.26 -5.07 117.12 111.19 1g3i n MET 4 Ca -0.02 -0.77 -0.19 0.00 -1.81 0.00 0.00 57.70 54.91 1g3i n MET 4 Cb 0.59 -0.76 -0.10 0.00 -0.71 0.00 0.00 33.22 32.24 1g3i n MET 4 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1g3i s THR 5 N -1.83 1.05 0.00 2.03 -4.23 -1.26 -4.93 115.64 106.47 1g3i s THR 5 Ca 0.32 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1g3i s THR 5 Cb -0.04 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1g3i s THR 5 CO 0.25 -0.12 0.94 -2.65 -0.54 0.00 0.00 174.62 172.50 1g3i n PRO 6 N -0.55 0.00 -0.15 3.99 -0.02 -1.26 0.11 135.00 137.12 1g3i n PRO 6 Ca -0.03 0.91 0.02 0.00 -2.02 0.00 0.00 63.50 62.38 1g3i n PRO 6 Cb 0.65 -1.44 0.30 0.00 -0.02 0.00 0.00 33.50 32.99 1g3i n PRO 6 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1g3i h ARG 7 N 0.00 0.84 -0.22 -0.52 2.43 -1.97 -2.18 114.38 112.77 1g3i h ARG 7 Ca 0.00 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1g3i h ARG 7 Cb 0.00 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1g3i h ARG 7 CO 0.00 0.56 0.08 1.49 -1.51 0.00 0.00 179.97 180.60 1g3i h GLU 8 N 0.87 0.19 -0.50 0.20 4.81 -1.55 -1.76 114.58 116.84 1g3i h GLU 8 Ca 0.23 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1g3i h GLU 8 Cb -0.09 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1g3i h GLU 8 CO -0.05 0.12 -0.03 0.82 -0.73 0.00 0.00 179.01 179.15 1g3i h ILE 9 N 0.19 1.27 -0.61 2.32 2.04 0.14 -2.63 117.51 120.22 1g3i h ILE 9 Ca 0.09 -1.12 0.06 0.00 1.00 0.00 0.00 64.86 64.89 1g3i h ILE 9 Cb 0.05 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1g3i h ILE 9 CO -0.08 0.39 0.32 0.58 0.00 0.00 0.00 178.15 179.36 1g3i h VAL 10 N 0.76 0.94 -0.11 1.67 2.07 -1.10 -0.84 116.25 119.64 1g3i h VAL 10 Ca 0.14 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1g3i h VAL 10 Cb 0.55 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1g3i h VAL 10 CO 0.03 0.11 -0.28 0.28 0.02 0.00 0.00 177.57 177.73 1g3i h SER 11 N 0.60 -0.90 -1.20 0.57 0.02 -0.97 0.28 113.55 111.95 1g3i h SER 11 Ca 0.28 0.11 0.38 0.00 -0.84 0.00 0.00 61.79 61.72 1g3i h SER 11 Cb 0.19 0.36 -0.13 0.00 0.14 0.00 0.00 62.40 62.96 1g3i h SER 11 CO -0.19 -0.23 0.76 -0.08 -1.14 0.00 0.00 176.83 175.95 1g3i h GLU 12 N -0.27 0.17 -0.15 3.45 4.57 -1.16 0.42 114.58 121.61 1g3i h GLU 12 Ca 0.02 -0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 57.98 1g3i h GLU 12 Cb 0.33 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1g3i h GLU 12 CO -0.24 0.11 -0.75 -0.07 -1.18 0.00 0.00 179.01 176.87 1g3i h LEU 13 N 0.18 0.88 -2.39 1.64 3.38 0.80 -2.68 115.31 117.11 1g3i h LEU 13 Ca 0.76 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1g3i h LEU 13 Cb 2.22 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 1g3i h LEU 13 CO -0.43 1.36 0.18 0.44 0.09 0.00 0.00 178.44 180.07 1g3i h ASP 14 N 0.51 0.00 -0.33 -0.43 3.32 0.27 -0.19 116.42 119.57 1g3i h ASP 14 Ca -0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1g3i h ASP 14 Cb 1.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.90 1g3i h ASP 14 CO 0.15 0.00 0.04 1.56 -1.72 0.00 0.00 179.24 179.27 1g3i h GLN 15 N 0.00 0.66 0.00 3.56 4.20 -1.10 -3.33 115.11 119.10 1g3i h GLN 15 Ca 0.04 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1g3i h GLN 15 Cb 0.39 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1g3i h GLN 15 CO -0.00 0.66 -1.04 0.72 -0.67 0.00 0.00 178.83 178.50 1g3i n HIS 16 N -4.26 0.00 -5.16 2.96 8.25 -0.17 -2.51 115.22 114.32 1g3i n HIS 16 Ca 0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.17 1g3i n HIS 16 Cb 0.25 -0.13 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 1g3i n HIS 16 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1g3i s ILE 17 N -2.37 2.33 -0.23 1.59 1.09 -0.67 -4.82 121.20 118.12 1g3i s ILE 17 Ca -0.01 -0.98 -0.13 0.00 -1.10 0.00 0.00 60.65 58.44 1g3i s ILE 17 Cb 0.07 -1.86 -0.05 0.00 -1.06 0.00 0.00 42.46 39.56 1g3i s ILE 17 CO 0.41 0.57 0.26 -0.63 -0.10 0.00 0.00 174.94 175.45 1g3i s ILE 18 N -0.31 5.29 0.00 2.92 -1.09 -1.26 -4.46 121.20 122.28 1g3i s ILE 18 Ca 0.01 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 1g3i s ILE 18 Cb -0.13 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1g3i s ILE 18 CO 0.02 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1g3i n GLY 19 N 4.21 -0.41 3.68 6.18 0.00 -1.26 -4.97 105.19 112.62 1g3i n GLY 19 Ca -0.12 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 1g3i n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3i n GLN 20 N 0.00 -1.34 0.00 1.61 1.13 -1.26 -4.90 117.38 112.62 1g3i n GLN 20 Ca 0.00 0.80 -0.02 0.00 -1.94 0.00 0.00 57.00 55.84 1g3i n GLN 20 Cb 0.00 -3.09 -0.01 0.00 0.11 0.00 0.00 30.24 27.25 1g3i n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g3i h ALA 21 N 1.13 -0.12 -0.96 -1.58 0.00 -1.93 -3.09 119.26 112.72 1g3i h ALA 21 Ca -0.53 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 54.63 1g3i h ALA 21 Cb 1.33 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.98 1g3i h ALA 21 CO 0.38 -0.11 0.10 -0.44 0.00 0.00 0.00 179.25 179.18 1g3i h ASP 22 N -0.81 -0.33 0.23 0.00 3.32 -1.91 0.56 116.42 117.48 1g3i h ASP 22 Ca -0.01 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1g3i h ASP 22 Cb 0.08 0.43 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1g3i h ASP 22 CO 0.02 -0.32 -0.24 0.00 -1.72 0.00 0.00 179.24 176.98 1g3i h ALA 23 N 1.94 -0.48 -0.42 3.45 0.00 -1.76 -0.89 119.26 121.10 1g3i h ALA 23 Ca 0.60 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.53 1g3i h ALA 23 Cb 1.27 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 19.32 1g3i h ALA 23 CO -0.85 -0.80 -0.19 0.87 0.00 0.00 0.00 179.25 178.28 1g3i h LYS 24 N -0.50 -0.10 -0.15 0.00 1.57 0.17 -1.29 116.57 116.27 1g3i h LYS 24 Ca -0.00 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1g3i h LYS 24 Cb 0.47 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1g3i h LYS 24 CO -0.06 -0.07 -0.19 -0.09 -0.57 0.00 0.00 179.45 178.46 1g3i h ARG 25 N -0.11 -0.23 -0.28 3.15 2.43 -0.91 -0.17 114.38 118.27 1g3i h ARG 25 Ca 0.20 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1g3i h ARG 25 Cb 0.42 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1g3i h ARG 25 CO -0.49 -0.15 -0.31 0.00 -1.51 0.00 0.00 179.97 177.51 1g3i h ALA 26 N 0.80 -0.53 0.00 2.80 0.00 -0.07 1.26 119.26 123.52 1g3i h ALA 26 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1g3i h ALA 26 Cb 0.39 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1g3i h ALA 26 CO -0.29 -0.69 0.00 -0.39 0.00 0.00 0.00 179.25 177.88 1g3i h VAL 27 N -0.19 0.00 0.04 0.00 -1.51 -1.11 -1.08 116.25 112.40 1g3i h VAL 27 Ca 0.05 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1g3i h VAL 27 Cb 0.31 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1g3i h VAL 27 CO -0.36 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 175.96 1g3i h ALA 28 N 2.03 -0.05 -1.00 5.19 0.00 0.31 -0.41 119.26 125.32 1g3i h ALA 28 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.71 1g3i h ALA 28 Cb 0.09 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1g3i h ALA 28 CO 0.00 -0.08 0.64 -0.84 0.00 0.00 0.00 179.25 178.97 1g3i h ILE 29 N -0.95 1.02 0.57 0.00 3.07 0.52 0.13 117.51 121.87 1g3i h ILE 29 Ca -0.01 -0.38 -0.03 0.00 1.55 0.00 0.00 64.86 66.00 1g3i h ILE 29 Cb 0.59 -0.18 -0.00 0.00 -0.27 0.00 0.00 36.82 36.96 1g3i h ILE 29 CO 0.01 0.20 -0.35 0.00 -1.05 0.00 0.00 178.15 176.96 1g3i h ALA 30 N 1.49 -1.17 -0.07 0.16 0.00 -1.20 0.68 119.26 119.15 1g3i h ALA 30 Ca 0.46 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1g3i h ALA 30 Cb 0.30 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1g3i h ALA 30 CO -0.21 -1.14 0.12 1.25 0.00 0.00 0.00 179.25 179.28 1g3i h LEU 31 N -0.86 0.00 -0.04 0.00 5.85 -0.65 -0.96 115.31 118.65 1g3i h LEU 31 Ca -0.08 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.46 1g3i h LEU 31 Cb 0.69 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.73 1g3i h LEU 31 CO 0.08 0.00 -0.68 -0.09 -0.34 0.00 0.00 178.44 177.41 1g3i h ARG 32 N 0.00 0.54 -0.26 1.25 9.65 0.31 -3.05 114.38 122.82 1g3i h ARG 32 Ca 0.03 -0.52 0.08 0.00 -1.10 0.00 0.00 59.98 58.47 1g3i h ARG 32 Cb 0.28 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1g3i h ARG 32 CO -0.00 1.15 0.30 -0.91 2.80 0.00 0.00 179.97 183.31 1g3i h ASN 33 N 0.12 0.00 -0.19 -3.80 2.35 0.52 0.87 115.58 115.44 1g3i h ASN 33 Ca -0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1g3i h ASN 33 Cb 1.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.72 1g3i h ASN 33 CO 0.14 0.00 0.11 -0.09 -1.65 0.00 0.00 177.43 175.94 1g3i h ARG 34 N 0.00 0.26 -0.47 0.81 9.65 -1.41 -1.31 114.38 121.92 1g3i h ARG 34 Ca 0.12 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.89 1g3i h ARG 34 Cb 0.73 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 1g3i h ARG 34 CO -0.00 0.23 -0.06 2.35 2.80 0.00 0.00 179.97 185.28 1g3i h TRP 35 N 0.22 0.88 0.48 2.20 7.01 -0.94 -3.20 115.95 122.60 1g3i h TRP 35 Ca 0.07 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 1g3i h TRP 35 Cb 0.03 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.86 1g3i h TRP 35 CO -0.05 0.84 -0.23 0.00 -2.79 0.00 0.00 178.44 176.22 1g3i h ARG 36 N 0.75 -0.62 -7.48 2.65 3.08 -0.99 -3.36 114.38 108.41 1g3i h ARG 36 Ca 0.13 0.04 -0.43 0.00 0.07 0.00 0.00 59.98 59.79 1g3i h ARG 36 Cb 0.54 0.14 0.17 0.00 0.08 0.00 0.00 29.97 30.90 1g3i h ARG 36 CO 0.03 -0.40 0.22 0.50 -1.07 0.00 0.00 179.97 179.25 1g3i s ARG 37 N -5.99 -0.23 -1.86 0.04 3.52 -0.53 -2.64 118.95 111.25 1g3i s ARG 37 Ca -0.16 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1g3i s ARG 37 Cb 0.04 -1.70 0.00 0.00 -1.56 0.00 0.00 34.95 31.73 1g3i s ARG 37 CO 0.62 -3.07 0.00 -0.12 -0.81 0.00 0.00 175.30 171.92 1g3i n MET 38 N -4.33 -1.35 0.00 5.12 1.56 -1.26 -4.46 117.12 112.40 1g3i n MET 38 Ca 0.11 1.08 0.00 0.00 -0.27 0.00 0.00 57.70 58.62 1g3i n MET 38 Cb 0.59 -5.44 0.00 0.00 2.15 0.00 0.00 33.22 30.52 1g3i n MET 38 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1g3i n GLN 39 N -2.56 0.00 -2.78 2.12 -0.06 -1.08 -4.99 117.38 108.03 1g3i n GLN 39 Ca -0.20 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.60 1g3i n GLN 39 Cb 0.63 -0.13 0.05 0.00 -4.06 0.00 0.00 30.24 26.73 1g3i n GLN 39 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1g3i s LEU 40 N 0.00 3.26 0.04 1.69 1.43 -1.23 -5.08 118.68 118.78 1g3i s LEU 40 Ca 0.00 -0.34 -0.20 0.00 -1.03 0.00 0.00 54.13 52.56 1g3i s LEU 40 Cb 0.00 -2.39 -0.06 0.00 0.03 0.00 0.00 46.19 43.77 1g3i s LEU 40 CO 0.00 -1.27 0.58 -1.10 0.23 0.00 0.00 176.35 174.79 1g3i s GLN 41 N -4.74 4.26 0.00 1.70 -1.52 -1.26 -4.49 119.66 113.60 1g3i s GLN 41 Ca 0.60 0.74 0.00 0.00 -1.95 0.00 0.00 55.36 54.74 1g3i s GLN 41 Cb -0.08 -3.29 0.00 0.00 -0.22 0.00 0.00 33.01 29.42 1g3i s GLN 41 CO 0.39 0.52 0.00 -1.91 -0.25 0.00 0.00 175.29 174.03 1g3i n GLU 42 N 2.18 0.00 0.10 2.91 4.07 -1.26 -0.87 120.64 127.76 1g3i n GLU 42 Ca -0.09 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.89 1g3i n GLU 42 Cb 0.51 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.83 1g3i n GLU 42 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1g3i h PRO 43 N 0.00 -0.30 0.17 5.31 0.11 -2.01 -3.22 132.00 132.06 1g3i h PRO 43 Ca 0.00 0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.81 1g3i h PRO 43 Cb 0.00 0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.19 1g3i h PRO 43 CO 0.00 -0.20 -1.53 -0.07 -0.21 0.00 0.00 178.00 175.99 1g3i h LEU 44 N -0.31 0.55 -1.64 2.35 3.38 -1.38 -3.09 115.31 115.17 1g3i h LEU 44 Ca 0.02 -0.70 0.37 0.00 0.09 0.00 0.00 57.88 57.67 1g3i h LEU 44 Cb 0.33 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1g3i h LEU 44 CO -0.08 1.57 1.13 -0.09 0.09 0.00 0.00 178.44 181.05 1g3i h ARG 45 N 0.10 0.00 0.00 1.13 2.43 -1.50 0.38 114.38 116.92 1g3i h ARG 45 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1g3i h ARG 45 Cb 2.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1g3i h ARG 45 CO 0.20 0.00 -0.69 1.58 -1.51 0.00 0.00 179.97 179.55 1g3i n HIS 46 N -3.69 0.00 0.08 2.20 -0.00 -1.22 -4.36 115.22 108.24 1g3i n HIS 46 Ca 0.29 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.45 1g3i n HIS 46 Cb 1.53 -0.06 -0.05 0.00 -0.12 0.00 0.00 29.99 31.30 1g3i n HIS 46 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1g3i h GLU 47 N 0.00 0.00 -6.22 1.57 4.39 -0.19 -3.45 114.58 110.69 1g3i h GLU 47 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 1g3i h GLU 47 Cb 0.26 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 1g3i h GLU 47 CO 0.00 0.58 0.02 0.54 -1.16 0.00 0.00 179.01 178.99 1g3i s VAL 48 N -2.86 4.76 0.10 3.13 0.11 -0.79 -5.06 120.40 119.78 1g3i s VAL 48 Ca 0.01 1.33 0.10 0.00 -2.93 0.00 0.00 61.98 60.49 1g3i s VAL 48 Cb 0.08 -3.96 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 1g3i s VAL 48 CO 0.78 0.48 -0.26 0.42 -3.33 0.00 0.00 175.10 173.19 1g3i s THR 49 N -0.64 2.17 0.69 5.04 -4.23 -1.26 -5.00 115.64 112.40 1g3i s THR 49 Ca 0.32 -1.62 -0.18 0.00 -1.18 0.00 0.00 61.69 59.03 1g3i s THR 49 Cb -0.20 -1.90 -0.14 0.00 1.34 0.00 0.00 72.50 71.60 1g3i s THR 49 CO 0.20 0.16 -0.31 -2.65 -0.54 0.00 0.00 174.62 171.48 1g3i n PRO 50 N 1.21 0.02 -2.29 3.99 -0.02 -1.26 -4.91 135.00 131.74 1g3i n PRO 50 Ca -0.18 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 60.99 1g3i n PRO 50 Cb 0.53 -1.06 0.01 0.00 -0.02 0.00 0.00 33.50 32.96 1g3i n PRO 50 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1g3i n LYS 51 N 1.68 3.21 0.00 -0.52 4.76 -1.26 -5.06 118.16 120.97 1g3i n LYS 51 Ca 0.05 -4.17 0.00 0.00 -2.87 0.00 0.00 58.31 51.32 1g3i n LYS 51 Cb 0.50 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 1g3i n LYS 51 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1g3i n ASN 52 N -0.49 0.00 -4.26 4.39 3.02 -1.26 -4.12 115.26 112.54 1g3i n ASN 52 Ca 0.44 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.73 1g3i n ASN 52 Cb 0.49 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.52 1g3i n ASN 52 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1g3i s ILE 53 N 0.00 1.74 -0.24 2.41 1.01 -0.71 -2.54 121.20 122.88 1g3i s ILE 53 Ca 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.47 1g3i s ILE 53 Cb 0.00 -1.51 0.05 0.00 0.01 0.00 0.00 42.46 41.01 1g3i s ILE 53 CO 0.00 0.25 -0.13 -0.22 0.00 0.00 0.00 174.94 174.84 1g3i s LEU 54 N -1.14 3.03 -0.19 2.97 2.96 -0.15 -0.17 118.68 125.99 1g3i s LEU 54 Ca 0.08 -1.18 -0.15 0.00 -0.22 0.00 0.00 54.13 52.65 1g3i s LEU 54 Cb -0.09 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1g3i s LEU 54 CO 0.02 -0.15 0.38 -0.04 -1.32 0.00 0.00 176.35 175.24 1g3i s MET 55 N 1.18 4.19 -0.15 1.98 -1.94 0.37 -2.17 119.30 122.76 1g3i s MET 55 Ca -0.05 0.18 -0.04 0.00 -1.71 0.00 0.00 55.69 54.06 1g3i s MET 55 Cb -0.18 -3.51 -0.03 0.00 2.01 0.00 0.00 34.83 33.11 1g3i s MET 55 CO -0.07 0.02 -0.00 0.42 -0.01 0.00 0.00 175.02 175.38 1g3i s ILE 56 N 1.12 4.22 0.11 2.53 1.09 0.19 -2.01 121.20 128.46 1g3i s ILE 56 Ca 0.19 -0.25 -0.20 0.00 -1.10 0.00 0.00 60.65 59.29 1g3i s ILE 56 Cb -0.14 -2.85 0.07 0.00 -1.06 0.00 0.00 42.46 38.47 1g3i s ILE 56 CO 0.07 0.50 0.94 0.61 -0.10 0.00 0.00 174.94 176.96 1g3i n GLY 57 N 3.29 0.58 0.62 6.18 0.00 -0.47 -1.11 105.19 114.28 1g3i n GLY 57 Ca -0.17 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.72 1g3i n GLY 57 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1g3i n PRO 58 N -0.66 -0.02 -2.65 1.61 -0.02 -1.26 -3.43 135.00 128.57 1g3i n PRO 58 Ca -0.00 -0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 60.72 1g3i n PRO 58 Cb 0.49 -0.19 -0.05 0.00 -0.02 0.00 0.00 33.50 33.73 1g3i n PRO 58 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1g3i s THR 59 N -1.16 3.91 -0.85 3.45 2.01 -1.26 -4.39 115.64 117.34 1g3i s THR 59 Ca 0.12 1.87 -0.16 0.00 0.31 0.00 0.00 61.69 63.83 1g3i s THR 59 Cb -0.00 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.34 1g3i s THR 59 CO 0.08 0.43 0.52 0.61 -0.69 0.00 0.00 174.62 175.57 1g3i n GLY 60 N 1.49 -0.85 0.00 4.40 0.00 -1.26 -3.64 105.19 105.34 1g3i n GLY 60 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1g3i n GLY 60 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g3i n VAL 61 N -3.40 0.90 0.00 1.61 0.24 -1.26 -1.61 118.33 114.80 1g3i n VAL 61 Ca -0.17 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.22 1g3i n VAL 61 Cb 0.50 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1g3i n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g3i n GLY 62 N -0.47 1.67 0.30 7.63 0.00 -1.26 -4.86 105.19 108.20 1g3i n GLY 62 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1g3i n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g3i n LYS 63 N 0.00 -0.15 0.01 1.61 5.02 -1.26 -0.96 118.16 122.43 1g3i n LYS 63 Ca 0.00 1.22 -0.18 0.00 -2.02 0.00 0.00 58.31 57.34 1g3i n LYS 63 Cb 0.00 -1.82 -0.11 0.00 -0.02 0.00 0.00 35.03 33.08 1g3i n LYS 63 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1g3i h THR 64 N 0.00 1.42 -0.20 -0.18 2.02 -1.99 -3.11 112.91 110.86 1g3i h THR 64 Ca 0.31 -2.11 0.04 0.00 0.77 0.00 0.00 66.41 65.42 1g3i h THR 64 Cb 0.51 2.60 -0.04 0.00 -1.74 0.00 0.00 68.15 69.48 1g3i h THR 64 CO -0.79 0.61 -0.04 -0.33 0.37 0.00 0.00 175.52 175.34 1g3i h GLU 65 N -0.08 0.01 -0.73 6.66 4.39 -1.60 0.40 114.58 123.62 1g3i h GLU 65 Ca -0.08 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.76 1g3i h GLU 65 Cb 1.35 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.90 1g3i h GLU 65 CO 0.13 0.01 0.26 0.82 -1.16 0.00 0.00 179.01 179.06 1g3i h ILE 66 N 0.01 0.63 -0.03 3.13 2.04 -1.16 0.59 117.51 122.72 1g3i h ILE 66 Ca 0.10 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1g3i h ILE 66 Cb 0.14 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1g3i h ILE 66 CO -0.20 0.07 -0.02 0.00 0.00 0.00 0.00 178.15 178.00 1g3i h ALA 67 N 1.55 0.04 -0.85 1.87 0.00 -1.14 0.48 119.26 121.21 1g3i h ALA 67 Ca 0.40 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1g3i h ALA 67 Cb 0.63 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1g3i h ALA 67 CO -0.42 -0.22 0.53 -0.09 0.00 0.00 0.00 179.25 179.04 1g3i h ARG 68 N -0.36 0.94 -0.02 0.00 2.43 0.64 -1.26 114.38 116.74 1g3i h ARG 68 Ca 0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1g3i h ARG 68 Cb 0.46 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1g3i h ARG 68 CO 0.00 0.62 -0.00 0.00 -1.51 0.00 0.00 179.97 179.09 1g3i h ARG 69 N 0.97 0.03 -0.54 0.20 2.47 0.23 -1.13 114.38 116.62 1g3i h ARG 69 Ca 0.37 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 59.16 1g3i h ARG 69 Cb 0.15 -0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.37 1g3i h ARG 69 CO -0.17 0.34 -0.46 1.25 0.56 0.00 0.00 179.97 181.50 1g3i h LEU 70 N -0.28 -1.56 -0.54 3.04 5.85 -0.39 0.58 115.31 122.01 1g3i h LEU 70 Ca 0.01 0.24 0.11 0.00 0.84 0.00 0.00 57.88 59.08 1g3i h LEU 70 Cb 0.33 0.69 -0.10 0.00 0.37 0.00 0.00 40.66 41.95 1g3i h LEU 70 CO 0.00 -0.35 -0.11 0.00 -0.34 0.00 0.00 178.44 177.64 1g3i h ALA 71 N 0.49 0.39 -0.03 1.25 0.00 -1.14 -1.88 119.26 118.34 1g3i h ALA 71 Ca 0.16 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1g3i h ALA 71 Cb 0.57 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1g3i h ALA 71 CO -0.67 -0.43 -0.02 -0.22 0.00 0.00 0.00 179.25 177.91 1g3i h LYS 72 N 0.02 -0.03 0.00 0.00 1.63 0.12 -0.44 116.57 117.87 1g3i h LYS 72 Ca 0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1g3i h LYS 72 Cb 0.40 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1g3i h LYS 72 CO -0.54 -0.02 0.00 1.47 -3.45 0.00 0.00 179.45 176.91 1g3i n LEU 73 N -5.13 0.00 -0.33 5.20 -0.00 0.14 -1.21 117.00 115.67 1g3i n LEU 73 Ca -0.06 0.23 0.04 0.00 -0.00 0.00 0.00 56.01 56.21 1g3i n LEU 73 Cb 0.06 -0.23 0.06 0.00 -0.00 0.00 0.00 43.42 43.31 1g3i n LEU 73 CO 0.31 -0.08 0.45 0.00 -0.00 0.00 0.00 177.39 178.06 1g3i n ALA 74 N -1.23 2.35 -3.83 1.47 0.00 -0.76 -4.98 120.51 113.53 1g3i n ALA 74 Ca 0.10 -0.76 -0.31 0.00 0.00 0.00 0.00 53.44 52.48 1g3i n ALA 74 Cb 0.13 -0.26 0.02 0.00 0.00 0.00 0.00 19.45 19.34 1g3i n ALA 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1g3i n ASN 75 N 0.31 -3.25 -4.37 0.00 5.15 -0.35 -4.94 115.26 107.81 1g3i n ASN 75 Ca 0.05 -1.05 -0.29 0.00 -0.60 0.00 0.00 54.58 52.69 1g3i n ASN 75 Cb 0.25 -3.04 -0.13 0.00 -0.53 0.00 0.00 39.78 36.32 1g3i n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1g3i s ALA 76 N -3.67 2.32 -0.11 5.20 0.00 -0.32 -5.04 121.76 120.14 1g3i s ALA 76 Ca 0.30 -1.40 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 1g3i s ALA 76 Cb -0.12 -0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.54 1g3i s ALA 76 CO 0.89 0.53 1.90 -2.14 0.00 0.00 0.00 175.76 176.94 1g3i s PRO 77 N -1.82 3.79 0.28 0.00 0.02 -1.23 -4.69 135.00 131.36 1g3i s PRO 77 Ca 0.13 2.15 0.12 0.00 0.02 0.00 0.00 61.00 63.42 1g3i s PRO 77 Cb -0.10 -4.16 -0.05 0.00 0.02 0.00 0.00 34.50 30.21 1g3i s PRO 77 CO 0.05 -1.34 -0.18 0.12 -0.33 0.00 0.00 177.00 175.32 1g3i s PHE 78 N 5.62 2.33 -0.28 6.54 5.36 -1.26 -1.42 117.98 134.86 1g3i s PHE 78 Ca 0.85 -0.33 -0.20 0.00 -0.96 0.00 0.00 56.93 56.30 1g3i s PHE 78 Cb -0.34 -1.02 0.12 0.00 -0.34 0.00 0.00 43.02 41.44 1g3i s PHE 78 CO 0.35 0.71 0.94 -1.50 -1.46 0.00 0.00 175.22 174.26 1g3i s ILE 79 N -2.50 0.00 0.04 3.12 1.10 -1.13 -4.89 121.20 116.95 1g3i s ILE 79 Ca 0.30 0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.49 1g3i s ILE 79 Cb -0.05 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.53 1g3i s ILE 79 CO 0.15 0.00 -0.09 -0.75 -2.11 0.00 0.00 174.94 172.14 1g3i s LYS 80 N 0.88 2.36 -0.10 3.50 2.20 -1.26 -0.77 119.74 126.55 1g3i s LYS 80 Ca -0.04 -0.85 -0.10 0.00 -0.36 0.00 0.00 55.97 54.62 1g3i s LYS 80 Cb -0.04 -2.40 0.03 0.00 -1.51 0.00 0.00 37.83 33.90 1g3i s LYS 80 CO -0.11 0.56 0.29 0.14 -0.36 0.00 0.00 175.35 175.87 1g3i s VAL 81 N -1.06 0.01 0.37 4.02 -7.23 -0.74 -4.96 120.40 110.81 1g3i s VAL 81 Ca 0.18 -0.05 -0.26 0.00 -1.81 0.00 0.00 61.98 60.04 1g3i s VAL 81 Cb -0.11 -0.42 -0.09 0.00 0.56 0.00 0.00 36.38 36.32 1g3i s VAL 81 CO 0.09 -0.03 1.16 -0.70 -0.31 0.00 0.00 175.10 175.32 1g3i s GLU 82 N 0.01 4.20 0.18 4.82 2.56 -1.26 -1.08 118.70 128.13 1g3i s GLU 82 Ca -0.01 1.85 -0.05 0.00 0.00 0.00 0.00 54.97 56.76 1g3i s GLU 82 Cb -0.02 -2.80 0.08 0.00 2.00 0.00 0.00 34.13 33.38 1g3i s GLU 82 CO 0.01 -0.20 1.49 0.00 -0.56 0.00 0.00 175.26 176.00 1g3i h ALA 83 N 2.92 0.66 0.00 6.30 0.00 -1.60 -2.67 119.26 124.87 1g3i h ALA 83 Ca -0.48 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1g3i h ALA 83 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1g3i h ALA 83 CO 0.64 0.69 0.00 0.25 0.00 0.00 0.00 179.25 180.82 1g3i n THR 84 N -3.97 0.79 0.25 0.00 -2.24 -1.26 -2.90 114.28 104.95 1g3i n THR 84 Ca -0.03 0.17 0.17 0.00 -2.27 0.00 0.00 64.05 62.09 1g3i n THR 84 Cb 0.60 -0.96 0.82 0.00 -2.10 0.00 0.00 70.33 68.69 1g3i n THR 84 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1g3i h LYS 85 N 0.00 0.00 -0.54 -0.78 3.64 -1.85 -1.93 116.57 115.11 1g3i h LYS 85 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1g3i h LYS 85 Cb 0.36 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.00 1g3i h LYS 85 CO 0.00 0.00 0.06 1.19 -2.27 0.00 0.00 179.45 178.43 1g3i n PHE 86 N -3.21 1.71 0.44 1.91 3.01 -1.14 -4.93 117.46 115.24 1g3i n PHE 86 Ca 0.01 -1.80 -0.04 0.00 1.01 0.00 0.00 57.45 56.63 1g3i n PHE 86 Cb 0.43 -0.63 0.06 0.00 -0.01 0.00 0.00 39.48 39.33 1g3i n PHE 86 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1g3i n THR 87 N -1.09 1.36 -2.49 4.37 -1.04 -0.73 -4.76 114.28 109.91 1g3i n THR 87 Ca 0.41 -0.47 -0.40 0.00 -2.04 0.00 0.00 64.05 61.55 1g3i n THR 87 Cb 1.13 -0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 68.85 1g3i n THR 87 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1g3i s GLU 95 N -1.02 3.19 0.49 -2.82 2.56 -1.26 -5.09 118.70 114.75 1g3i s GLU 95 Ca 0.15 -0.33 0.18 0.00 0.00 0.00 0.00 54.97 54.97 1g3i s GLU 95 Cb 0.12 -4.45 1.22 0.00 2.00 0.00 0.00 34.13 33.02 1g3i s GLU 95 CO 0.03 -2.25 2.04 -0.24 -0.56 0.00 0.00 175.26 174.28 1g3i h VAL 96 N 6.29 0.88 0.00 3.70 3.04 -1.97 -0.44 116.25 127.75 1g3i h VAL 96 Ca -0.18 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1g3i h VAL 96 Cb 1.05 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1g3i h VAL 96 CO 1.30 0.03 0.01 0.44 -1.01 0.00 0.00 177.57 178.34 1g3i h ASP 97 N 0.16 0.00 -0.90 3.17 3.32 -2.02 -2.01 116.42 118.14 1g3i h ASP 97 Ca 0.18 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.33 1g3i h ASP 97 Cb 0.52 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.00 1g3i h ASP 97 CO -0.03 0.00 0.54 0.77 -1.72 0.00 0.00 179.24 178.80 1g3i h SER 98 N 0.00 0.78 -0.78 6.45 4.64 -1.50 -1.55 113.55 121.59 1g3i h SER 98 Ca 0.00 0.05 0.17 0.00 -0.47 0.00 0.00 61.79 61.54 1g3i h SER 98 Cb 0.01 -0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 61.85 1g3i h SER 98 CO 0.00 0.44 -0.09 0.40 -0.87 0.00 0.00 176.83 176.71 1g3i h ILE 99 N 0.88 0.26 -0.15 0.95 2.04 -1.57 1.24 117.51 121.17 1g3i h ILE 99 Ca 0.43 -0.02 -0.15 0.00 1.00 0.00 0.00 64.86 66.13 1g3i h ILE 99 Cb 0.39 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1g3i h ILE 99 CO -0.25 0.01 -0.53 0.40 0.00 0.00 0.00 178.15 177.78 1g3i h ILE 100 N 0.05 1.34 0.88 -0.67 1.08 -1.50 -0.75 117.51 117.93 1g3i h ILE 100 Ca 0.41 -1.79 -0.04 0.00 -0.39 0.00 0.00 64.86 63.04 1g3i h ILE 100 Cb 0.69 1.80 0.01 0.00 -3.07 0.00 0.00 36.82 36.25 1g3i h ILE 100 CO -0.75 0.55 -0.42 -0.09 -0.69 0.00 0.00 178.15 176.74 1g3i h ARG 101 N 0.34 -1.14 -0.79 2.37 2.43 0.12 -1.18 114.38 116.52 1g3i h ARG 101 Ca 0.01 0.08 0.16 0.00 -0.81 0.00 0.00 59.98 59.42 1g3i h ARG 101 Cb 1.04 0.26 -0.10 0.00 -0.42 0.00 0.00 29.97 30.75 1g3i h ARG 101 CO 0.09 -0.76 0.31 -0.44 -1.51 0.00 0.00 179.97 177.67 1g3i h ASP 102 N -1.32 0.28 0.09 -3.80 3.45 0.12 -0.59 116.42 114.66 1g3i h ASP 102 Ca -0.12 0.12 0.02 0.00 0.43 0.00 0.00 57.03 57.48 1g3i h ASP 102 Cb 0.91 0.10 -0.05 0.00 -0.56 0.00 0.00 39.33 39.74 1g3i h ASP 102 CO 0.20 0.08 -0.40 0.25 -1.57 0.00 0.00 179.24 177.80 1g3i h LEU 103 N 0.43 -1.18 -0.84 1.55 5.85 -0.87 -0.11 115.31 120.15 1g3i h LEU 103 Ca 0.44 0.14 0.13 0.00 0.84 0.00 0.00 57.88 59.43 1g3i h LEU 103 Cb 0.72 0.45 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 1g3i h LEU 103 CO -0.44 -0.47 0.45 0.74 -0.34 0.00 0.00 178.44 178.38 1g3i h THR 104 N -0.62 0.80 -0.99 1.05 2.02 -0.23 0.16 112.91 115.09 1g3i h THR 104 Ca 0.03 -0.23 0.09 0.00 0.77 0.00 0.00 66.41 67.07 1g3i h THR 104 Cb 0.66 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.04 1g3i h THR 104 CO -0.25 0.12 0.63 -0.78 0.37 0.00 0.00 175.52 175.61 1g3i h ASP 105 N 0.68 0.96 -0.23 4.18 3.58 0.14 -0.54 116.42 125.18 1g3i h ASP 105 Ca 0.44 0.03 -0.19 0.00 0.42 0.00 0.00 57.03 57.73 1g3i h ASP 105 Cb 0.54 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1g3i h ASP 105 CO -0.32 0.56 -0.56 -1.28 -2.88 0.00 0.00 179.24 174.76 1g3i h SER 106 N 1.07 0.93 -0.47 2.28 0.87 0.96 -2.59 113.55 116.58 1g3i h SER 106 Ca 0.46 -0.51 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 1g3i h SER 106 Cb 0.33 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1g3i h SER 106 CO -0.22 1.30 0.32 0.00 -0.53 0.00 0.00 176.83 177.69 1g3i h ALA 107 N 0.72 1.87 0.06 6.23 0.00 0.23 -1.58 119.26 126.80 1g3i h ALA 107 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1g3i h ALA 107 Cb 1.17 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1g3i h ALA 107 CO 0.12 0.05 -0.06 0.52 0.00 0.00 0.00 179.25 179.89 1g3i h MET 108 N 0.45 -0.12 -0.87 0.00 2.07 -0.75 0.78 114.93 116.51 1g3i h MET 108 Ca 0.20 0.01 0.13 0.00 -2.07 0.00 0.00 59.70 57.97 1g3i h MET 108 Cb 0.23 0.03 -0.14 0.00 -1.87 0.00 0.00 31.60 29.85 1g3i h MET 108 CO -0.05 -0.08 -0.34 1.17 1.07 0.00 0.00 176.91 178.68 1g3i n LYS 109 N -2.62 -0.20 0.26 1.72 4.81 -0.92 0.16 118.16 121.36 1g3i n LYS 109 Ca -0.01 1.33 -0.14 0.00 -0.87 0.00 0.00 58.31 58.62 1g3i n LYS 109 Cb 0.06 -1.98 -0.07 0.00 0.02 0.00 0.00 35.03 33.05 1g3i n LYS 109 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1g3i h LEU 110 N 0.00 -0.98 -1.77 3.14 5.85 -0.75 0.24 115.31 121.03 1g3i h LEU 110 Ca 0.30 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.11 1g3i h LEU 110 Cb 0.52 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1g3i h LEU 110 CO -0.86 -0.52 0.19 0.58 -0.34 0.00 0.00 178.44 177.49 1g3i h VAL 111 N -0.81 1.02 0.00 1.05 2.07 0.27 -0.60 116.25 119.25 1g3i h VAL 111 Ca -0.06 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1g3i h VAL 111 Cb 0.68 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1g3i h VAL 111 CO 0.01 0.05 0.00 -1.14 0.02 0.00 0.00 177.57 176.51 1g3i n ARG 112 N -4.49 0.00 0.17 1.57 0.63 0.42 -3.18 116.66 111.77 1g3i n ARG 112 Ca 0.02 0.47 0.13 0.00 -0.92 0.00 0.00 57.85 57.55 1g3i n ARG 112 Cb 0.13 -1.22 0.39 0.00 0.45 0.00 0.00 32.46 32.22 1g3i n ARG 112 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1g3i h GLN 113 N 0.00 0.00 0.00 -0.14 4.15 -0.49 1.15 115.11 119.77 1g3i h GLN 113 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1g3i h GLN 113 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1g3i h GLN 113 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 177.94 1g3i n GLN 114 N -2.93 0.17 0.00 1.69 6.02 -0.24 -3.30 117.38 118.80 1g3i n GLN 114 Ca 0.06 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1g3i n GLN 114 Cb 0.94 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 30.45 1g3i n GLN 114 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1g3i n GLU 115 N -2.05 0.20 0.00 -1.09 1.02 0.39 -3.80 120.64 115.31 1g3i n GLU 115 Ca 0.04 -0.77 0.11 0.00 -0.02 0.00 0.00 57.16 56.52 1g3i n GLU 115 Cb 0.32 -0.98 0.05 0.00 -0.02 0.00 0.00 31.44 30.81 1g3i n GLU 115 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1g3i n ILE 116 N -0.14 0.02 0.09 -3.67 3.06 -1.06 -3.88 119.36 113.77 1g3i n ILE 116 Ca 0.00 -0.04 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 1g3i n ILE 116 Cb 0.09 0.57 0.00 0.00 0.54 0.00 0.00 39.64 40.84 1g3i n ILE 116 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1g3i n ALA 117 N -1.56 3.00 0.32 1.51 0.00 -1.25 -4.45 120.51 118.08 1g3i n ALA 117 Ca 0.04 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.67 1g3i n ALA 117 Cb 0.35 0.01 0.98 0.00 0.00 0.00 0.00 19.45 20.79 1g3i n ALA 117 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1g3i h LYS 118 N 0.00 0.00 0.00 0.00 3.11 -1.79 -0.75 116.57 117.14 1g3i h LYS 118 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1g3i h LYS 118 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1g3i h LYS 118 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 179.45 176.73 1g3i n ASN 119 N -3.09 1.02 0.00 4.20 3.02 -1.25 -5.03 115.26 114.13 1g3i n ASN 119 Ca -0.02 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1g3i n ASN 119 Cb 0.25 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1g3i n ASN 119 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1g3i n ARG 120 N -0.10 0.00 -0.39 3.52 1.85 -0.29 -4.95 116.66 116.30 1g3i n ARG 120 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1g3i n ARG 120 Cb 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.52 1g3i n ARG 120 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 1g3i n ILE 227 N 0.00 0.00 0.31 8.89 3.06 -1.26 -4.81 119.36 125.55 1g3i n ILE 227 Ca 0.00 0.00 0.21 0.00 -2.50 0.00 0.00 62.75 60.46 1g3i n ILE 227 Cb 0.00 -0.38 1.09 0.00 0.54 0.00 0.00 39.64 40.89 1g3i n ILE 227 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1g3i h ASP 228 N 0.00 0.00 0.69 9.51 3.45 -2.08 0.21 116.42 128.20 1g3i h ASP 228 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1g3i h ASP 228 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1g3i h ASP 228 CO 0.00 0.00 -0.04 -0.67 -1.57 0.00 0.00 179.24 176.96 1g3i n ASP 229 N -2.96 0.08 -4.63 6.45 -0.08 -1.26 -4.72 116.55 109.44 1g3i n ASP 229 Ca -0.02 0.03 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 1g3i n ASP 229 Cb 0.09 -0.31 -0.03 0.00 2.34 0.00 0.00 41.12 43.20 1g3i n ASP 229 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1g3i s GLU 230 N -2.74 4.08 0.00 -0.67 2.56 0.72 -4.70 118.70 117.95 1g3i s GLU 230 Ca 0.22 0.92 0.00 0.00 0.00 0.00 0.00 54.97 56.12 1g3i s GLU 230 Cb 0.20 -3.70 0.00 0.00 2.00 0.00 0.00 34.13 32.63 1g3i s GLU 230 CO 0.50 -0.71 0.00 0.00 -0.56 0.00 0.00 175.26 174.49 1g3i n ALA 231 N 6.38 0.00 -0.03 6.30 0.00 -1.26 -5.08 120.51 126.81 1g3i n ALA 231 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1g3i n ALA 231 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1g3i n ALA 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3i n ALA 232 N 0.00 0.57 1.15 0.00 0.00 -1.26 -4.96 120.51 116.02 1g3i n ALA 232 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1g3i n ALA 232 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 1g3i n ALA 232 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1g3i n LYS 233 N -2.45 1.75 -0.12 0.00 4.81 -1.26 -3.59 118.16 117.30 1g3i n LYS 233 Ca 0.00 -1.13 0.11 0.00 -0.87 0.00 0.00 58.31 56.42 1g3i n LYS 233 Cb 0.00 -1.37 0.28 0.00 0.02 0.00 0.00 35.03 33.96 1g3i n LYS 233 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1g3i n LEU 234 N 0.37 2.62 -0.08 3.14 -0.00 -1.26 -4.44 117.00 117.34 1g3i n LEU 234 Ca 0.15 -1.09 -0.08 0.00 -0.00 0.00 0.00 56.01 55.00 1g3i n LEU 234 Cb 0.32 -0.16 -0.03 0.00 -0.00 0.00 0.00 43.42 43.56 1g3i n LEU 234 CO 0.12 0.54 -0.58 -0.38 -0.00 0.00 0.00 177.39 177.10 1g3i n ILE 235 N 0.96 1.41 -1.33 1.47 5.41 -1.24 -5.08 119.36 120.96 1g3i n ILE 235 Ca 0.18 0.17 0.00 0.00 1.00 0.00 0.00 62.75 64.10 1g3i n ILE 235 Cb 0.48 -2.32 0.00 0.00 -0.71 0.00 0.00 39.64 37.10 1g3i n ILE 235 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1g3i n ASN 236 N -4.40 -1.78 -0.36 4.38 5.15 -1.26 -4.75 115.26 112.25 1g3i n ASN 236 Ca -0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 1g3i n ASN 236 Cb 0.44 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 1g3i n ASN 236 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1g3i n PRO 237 N -1.11 0.00 -0.01 1.20 -0.02 -1.26 0.42 135.00 134.22 1g3i n PRO 237 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 1g3i n PRO 237 Cb 0.44 -0.83 -0.10 0.00 -0.02 0.00 0.00 33.50 33.00 1g3i n PRO 237 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1g3i n GLU 238 N 0.11 0.40 -0.10 -0.52 2.13 -1.26 -4.61 120.64 116.79 1g3i n GLU 238 Ca 0.00 -0.11 -0.17 0.00 0.66 0.00 0.00 57.16 57.54 1g3i n GLU 238 Cb 0.00 -1.29 -0.08 0.00 0.27 0.00 0.00 31.44 30.34 1g3i n GLU 238 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1g3i n GLU 239 N -1.93 0.53 -0.06 5.31 2.13 0.17 -4.25 120.64 122.53 1g3i n GLU 239 Ca -0.03 0.51 -0.02 0.00 0.66 0.00 0.00 57.16 58.28 1g3i n GLU 239 Cb 0.33 -1.68 -0.02 0.00 0.27 0.00 0.00 31.44 30.34 1g3i n GLU 239 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1g3i n LEU 240 N -4.46 -0.16 -0.26 4.31 7.94 -1.22 -0.76 117.00 122.38 1g3i n LEU 240 Ca -0.27 1.06 -0.07 0.00 -1.11 0.00 0.00 56.01 55.62 1g3i n LEU 240 Cb 0.58 -0.43 -0.06 0.00 0.53 0.00 0.00 43.42 44.04 1g3i n LEU 240 CO 0.15 -0.61 0.46 0.29 -1.11 0.00 0.00 177.39 176.56 1g3i n LYS 241 N -3.30 -0.28 -0.33 1.96 5.02 -1.26 0.12 118.16 120.09 1g3i n LYS 241 Ca 0.00 1.26 -0.02 0.00 -2.02 0.00 0.00 58.31 57.54 1g3i n LYS 241 Cb 0.04 -1.86 0.04 0.00 -0.02 0.00 0.00 35.03 33.23 1g3i n LYS 241 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1g3i h GLN 242 N 0.00 -0.04 -0.70 1.97 5.75 -1.30 1.60 115.11 122.39 1g3i h GLN 242 Ca 0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1g3i h GLN 242 Cb 0.26 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 1g3i h GLN 242 CO -0.59 -0.03 0.45 -0.22 -2.65 0.00 0.00 178.83 175.79 1g3i h LYS 243 N -0.05 0.93 0.00 1.69 3.64 0.23 0.34 116.57 123.34 1g3i h LYS 243 Ca 0.32 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1g3i h LYS 243 Cb 0.59 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1g3i h LYS 243 CO -0.90 0.63 -0.40 0.00 -2.27 0.00 0.00 179.45 176.51 1g3i h ALA 244 N 1.54 1.32 0.27 5.00 0.00 0.95 -0.38 119.26 127.96 1g3i h ALA 244 Ca 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1g3i h ALA 244 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1g3i h ALA 244 CO -0.05 0.50 -0.13 0.82 0.00 0.00 0.00 179.25 180.39 1g3i h ILE 245 N 0.00 0.69 -0.72 0.00 2.04 0.29 -2.27 117.51 117.54 1g3i h ILE 245 Ca -0.00 -0.80 0.15 0.00 1.00 0.00 0.00 64.86 65.20 1g3i h ILE 245 Cb 0.72 1.07 -0.14 0.00 -0.74 0.00 0.00 36.82 37.74 1g3i h ILE 245 CO 0.05 0.15 -0.17 0.44 0.00 0.00 0.00 178.15 178.62 1g3i h ASP 246 N -0.83 -0.65 -0.68 1.72 3.45 -0.74 0.89 116.42 119.57 1g3i h ASP 246 Ca -0.04 0.22 0.09 0.00 0.43 0.00 0.00 57.03 57.73 1g3i h ASP 246 Cb 0.51 0.44 -0.11 0.00 -0.56 0.00 0.00 39.33 39.61 1g3i h ASP 246 CO 0.06 -0.24 -0.49 0.00 -1.57 0.00 0.00 179.24 177.00 1g3i h ALA 247 N 1.72 -0.42 0.68 3.45 0.00 -0.93 1.30 119.26 125.07 1g3i h ALA 247 Ca 0.35 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 1g3i h ALA 247 Cb 0.54 1.10 0.01 0.00 0.00 0.00 0.00 17.79 19.43 1g3i h ALA 247 CO -0.74 -0.89 -0.33 0.28 0.00 0.00 0.00 179.25 177.58 1g3i h VAL 248 N -0.19 0.00 -1.03 0.00 2.07 0.25 -0.78 116.25 116.57 1g3i h VAL 248 Ca 0.17 -0.11 0.28 0.00 0.82 0.00 0.00 66.70 67.86 1g3i h VAL 248 Cb 0.54 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.19 1g3i h VAL 248 CO -0.76 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 177.12 1g3i h GLU 249 N -1.02 0.44 0.03 1.57 5.08 0.13 -2.30 114.58 118.50 1g3i h GLU 249 Ca -0.09 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.01 1g3i h GLU 249 Cb 0.70 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1g3i h GLU 249 CO 0.15 0.29 -1.24 1.96 -1.00 0.00 0.00 179.01 179.17 1g3i h GLN 250 N 0.45 0.07 -1.81 2.33 1.08 0.17 -3.39 115.11 114.01 1g3i h GLN 250 Ca 0.67 -0.12 -0.50 0.00 -1.45 0.00 0.00 58.65 57.25 1g3i h GLN 250 Cb 1.48 0.04 -0.41 0.00 -0.05 0.00 0.00 27.48 28.54 1g3i h GLN 250 CO -0.47 1.06 -0.98 0.09 -0.95 0.00 0.00 178.83 177.57 1g3i n ASN 251 N -4.26 2.52 -4.85 1.46 3.02 -0.30 -4.88 115.26 107.96 1g3i n ASN 251 Ca -0.29 -3.24 -0.37 0.00 -0.03 0.00 0.00 54.58 50.65 1g3i n ASN 251 Cb 0.74 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 1g3i n ASN 251 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g3i s GLY 252 N -3.02 2.39 -0.12 7.41 0.00 -0.87 -3.52 107.32 109.59 1g3i s GLY 252 Ca 0.41 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.82 1g3i s GLY 252 CO -0.09 -0.02 -0.21 -0.42 0.00 0.00 0.00 173.10 172.36 1g3i s ILE 253 N -1.11 2.23 -0.10 0.90 -1.09 -0.51 0.70 121.20 122.22 1g3i s ILE 253 Ca 0.23 -0.94 0.04 0.00 -2.23 0.00 0.00 60.65 57.74 1g3i s ILE 253 Cb -0.15 -1.88 -0.00 0.00 -1.58 0.00 0.00 42.46 38.85 1g3i s ILE 253 CO 0.12 0.55 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.45 1g3i s VAL 254 N 0.54 2.08 -0.38 2.92 1.01 0.67 -2.82 120.40 124.42 1g3i s VAL 254 Ca -0.13 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 1g3i s VAL 254 Cb -0.17 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.51 1g3i s VAL 254 CO 0.04 0.56 0.15 0.12 0.00 0.00 0.00 175.10 175.98 1g3i s PHE 255 N 0.32 3.44 -0.51 5.22 5.36 0.05 0.34 117.98 132.20 1g3i s PHE 255 Ca -0.18 -2.07 -0.23 0.00 -0.96 0.00 0.00 56.93 53.49 1g3i s PHE 255 Cb -0.18 -2.84 0.04 0.00 -0.34 0.00 0.00 43.02 39.70 1g3i s PHE 255 CO 0.09 -0.89 0.83 0.42 -1.46 0.00 0.00 175.22 174.21 1g3i s ILE 256 N 1.23 4.56 0.54 3.12 1.01 0.41 -1.79 121.20 130.29 1g3i s ILE 256 Ca 0.03 0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 1g3i s ILE 256 Cb -0.22 -4.43 -0.05 0.00 0.01 0.00 0.00 42.46 37.77 1g3i s ILE 256 CO -0.02 -0.93 0.94 -0.62 0.00 0.00 0.00 174.94 174.31 1g3i s ASP 257 N 2.58 6.38 -0.92 3.58 2.15 -0.24 -1.42 116.67 128.78 1g3i s ASP 257 Ca 0.27 1.33 -0.14 0.00 0.43 0.00 0.00 52.55 54.45 1g3i s ASP 257 Cb -0.14 -2.42 0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1g3i s ASP 257 CO 0.19 -0.68 0.26 -0.62 -0.17 0.00 0.00 175.17 174.15 1g3i n GLU 258 N -2.16 -0.68 0.23 4.34 1.02 -0.90 -1.97 120.64 120.51 1g3i n GLU 258 Ca 0.05 -0.05 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1g3i n GLU 258 Cb 0.54 -1.80 0.50 0.00 -0.02 0.00 0.00 31.44 30.66 1g3i n GLU 258 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1g3i h ILE 259 N -0.84 0.46 0.00 -3.67 2.10 -1.38 -1.71 117.51 112.47 1g3i h ILE 259 Ca -0.47 -1.00 0.00 0.00 1.08 0.00 0.00 64.86 64.47 1g3i h ILE 259 Cb 0.95 1.72 0.00 0.00 -1.09 0.00 0.00 36.82 38.39 1g3i h ILE 259 CO 0.41 0.18 0.00 -0.90 -1.08 0.00 0.00 178.15 176.76 1g3i n ASP 260 N -3.35 0.63 0.12 2.19 5.75 -1.26 -1.40 116.55 119.23 1g3i n ASP 260 Ca 0.00 0.73 0.00 0.00 -0.01 0.00 0.00 54.79 55.52 1g3i n ASP 260 Cb 0.41 -0.84 -0.01 0.00 -1.03 0.00 0.00 41.12 39.64 1g3i n ASP 260 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1g3i h LYS 261 N 0.00 0.00 -1.02 0.11 1.79 -1.65 -3.22 116.57 112.57 1g3i h LYS 261 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 1g3i h LYS 261 Cb 0.15 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.52 1g3i h LYS 261 CO 0.00 0.60 0.76 0.44 -1.08 0.00 0.00 179.45 180.18 1g3i n ILE 262 N -3.24 3.40 -3.21 1.86 -5.35 -0.50 -4.90 119.36 107.42 1g3i n ILE 262 Ca 0.01 -2.43 -0.13 0.00 -0.27 0.00 0.00 62.75 59.93 1g3i n ILE 262 Cb 0.79 -0.88 0.03 0.00 -1.74 0.00 0.00 39.64 37.84 1g3i n ILE 262 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g3i s LYS 264 N -3.57 3.34 0.00 0.00 3.01 -1.26 -4.60 119.74 116.66 1g3i s LYS 264 Ca 0.33 -0.80 0.00 0.00 -1.01 0.00 0.00 55.97 54.49 1g3i s LYS 264 Cb -0.03 -2.85 0.00 0.00 -1.01 0.00 0.00 37.83 33.95 1g3i s LYS 264 CO 0.21 0.28 0.00 0.36 0.51 0.00 0.00 175.35 176.71 1g3i n LYS 265 N -1.52 0.00 0.00 1.68 2.85 -1.26 -4.82 118.16 115.09 1g3i n LYS 265 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1g3i n LYS 265 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 1g3i n LYS 265 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1g3i n GLY 270 N 0.00 0.00 3.97 2.58 0.00 -1.26 -5.16 105.19 105.33 1g3i n GLY 270 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1g3i n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3i n ALA 271 N 0.00 0.00 -0.04 4.61 0.00 -1.26 -4.67 120.51 119.15 1g3i n ALA 271 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1g3i n ALA 271 Cb 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 1g3i n ALA 271 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1g3i n ASP 272 N 0.00 0.94 0.08 0.00 -0.08 -1.26 -3.66 116.55 112.56 1g3i n ASP 272 Ca 0.00 0.26 0.10 0.00 -1.51 0.00 0.00 54.79 53.64 1g3i n ASP 272 Cb 0.00 0.03 0.41 0.00 2.34 0.00 0.00 41.12 43.90 1g3i n ASP 272 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1g3i n VAL 273 N -3.06 0.93 0.12 5.18 0.24 -1.26 -0.37 118.33 120.10 1g3i n VAL 273 Ca -0.24 0.26 -0.03 0.00 -2.04 0.00 0.00 64.34 62.29 1g3i n VAL 273 Cb 1.07 -1.12 0.11 0.00 -1.47 0.00 0.00 33.84 32.43 1g3i n VAL 273 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1g3i h SER 274 N 0.00 0.02 0.02 -1.34 0.02 -1.94 -2.94 113.55 107.39 1g3i h SER 274 Ca 0.00 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.62 1g3i h SER 274 Cb 0.30 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1g3i h SER 274 CO 0.00 0.71 -1.75 0.54 -1.14 0.00 0.00 176.83 175.19 1g3i n ARG 275 N -3.72 0.61 0.00 3.45 1.74 -0.15 -3.87 116.66 114.72 1g3i n ARG 275 Ca -0.01 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1g3i n ARG 275 Cb 0.68 -1.67 0.02 0.00 -1.02 0.00 0.00 32.46 30.47 1g3i n ARG 275 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1g3i n GLU 276 N -4.17 0.14 -0.13 5.56 2.13 0.50 -0.55 120.64 124.12 1g3i n GLU 276 Ca -0.38 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.18 1g3i n GLU 276 Cb 0.81 -1.07 -0.11 0.00 0.27 0.00 0.00 31.44 31.34 1g3i n GLU 276 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1g3i n GLY 277 N -0.41 -0.44 0.42 8.31 0.00 -1.11 -4.19 105.19 107.77 1g3i n GLY 277 Ca 0.01 -0.14 0.23 0.00 0.00 0.00 0.00 46.02 46.12 1g3i n GLY 277 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1g3i h VAL 278 N -0.71 0.39 0.11 1.61 2.07 -0.94 0.20 116.25 118.98 1g3i h VAL 278 Ca -0.66 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1g3i h VAL 278 Cb 1.69 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1g3i h VAL 278 CO -0.32 0.00 -0.05 1.56 0.02 0.00 0.00 177.57 178.78 1g3i h GLN 279 N 0.00 -0.15 -0.09 1.57 4.20 -1.73 -0.83 115.11 118.09 1g3i h GLN 279 Ca 0.28 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.03 1g3i h GLN 279 Cb 1.41 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.22 1g3i h GLN 279 CO -0.00 0.18 0.07 0.00 -0.67 0.00 0.00 178.83 178.41 1g3i h ARG 280 N -0.49 0.00 -0.03 1.46 2.47 -0.85 -0.39 114.38 116.56 1g3i h ARG 280 Ca -0.02 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.55 1g3i h ARG 280 Cb 0.39 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1g3i h ARG 280 CO 0.03 0.00 -0.70 -0.44 0.56 0.00 0.00 179.97 179.42 1g3i h ASP 281 N 0.00 0.18 1.27 7.04 3.32 -0.70 -3.19 116.42 124.34 1g3i h ASP 281 Ca 0.04 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 1g3i h ASP 281 Cb 0.18 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1g3i h ASP 281 CO -0.00 0.82 -0.76 -0.07 -1.72 0.00 0.00 179.24 177.51 1g3i h LEU 282 N 0.10 0.00 -0.64 1.55 3.38 0.36 -3.39 115.31 116.67 1g3i h LEU 282 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1g3i h LEU 282 Cb 1.24 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 1g3i h LEU 282 CO 0.10 0.56 -0.38 0.18 0.09 0.00 0.00 178.44 179.00 1g3i n LEU 283 N -3.16 -0.68 -0.33 1.67 4.77 -0.67 -0.96 117.00 117.64 1g3i n LEU 283 Ca -0.01 1.35 0.24 0.00 -0.03 0.00 0.00 56.01 57.57 1g3i n LEU 283 Cb 0.78 -0.26 0.47 0.00 -2.33 0.00 0.00 43.42 42.09 1g3i n LEU 283 CO 0.42 -1.03 1.04 -0.65 -1.33 0.00 0.00 177.39 175.84 1g3i h PRO 284 N 0.00 0.16 0.25 3.23 0.11 -1.78 1.97 132.00 135.95 1g3i h PRO 284 Ca 0.10 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1g3i h PRO 284 Cb 0.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1g3i h PRO 284 CO -0.60 0.11 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.11 1g3i h LEU 285 N 0.17 -0.29 -0.32 2.35 4.07 -1.31 0.67 115.31 120.65 1g3i h LEU 285 Ca 0.74 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.77 1g3i h LEU 285 Cb 1.76 0.07 -0.08 0.00 1.08 0.00 0.00 40.66 43.50 1g3i h LEU 285 CO -0.70 -0.10 -0.46 0.58 -1.08 0.00 0.00 178.44 176.68 1g3i h VAL 286 N -0.55 0.09 0.00 1.22 2.07 -0.88 -1.53 116.25 116.67 1g3i h VAL 286 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1g3i h VAL 286 Cb 0.26 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1g3i h VAL 286 CO 0.06 0.00 -0.00 -0.33 0.02 0.00 0.00 177.57 177.31 1g3i h GLU 287 N -0.40 0.00 0.00 1.57 5.08 0.30 -3.47 114.58 117.66 1g3i h GLU 287 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1g3i h GLU 287 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1g3i h GLU 287 CO -0.53 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 177.90 1g3i n GLY 288 N -1.33 1.60 0.00 -3.84 0.00 0.17 -4.93 105.19 96.86 1g3i n GLY 288 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1g3i n GLY 288 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g3i n SER 289 N 0.00 0.00 -4.12 1.61 3.41 -0.83 -4.85 113.62 108.83 1g3i n SER 289 Ca 0.00 -0.52 -0.22 0.00 -0.26 0.00 0.00 58.87 57.87 1g3i n SER 289 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1g3i n SER 289 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1g3i s THR 290 N -2.44 1.13 0.01 6.66 2.01 -1.26 -1.63 115.64 120.12 1g3i s THR 290 Ca 0.00 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1g3i s THR 290 Cb 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 1g3i s THR 290 CO 0.00 0.22 -0.06 0.68 -0.69 0.00 0.00 174.62 174.77 1g3i s VAL 291 N -0.50 0.45 0.04 3.82 -7.23 -0.80 -4.99 120.40 111.19 1g3i s VAL 291 Ca 0.04 -0.46 -0.25 0.00 -1.81 0.00 0.00 61.98 59.51 1g3i s VAL 291 Cb -0.06 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.40 1g3i s VAL 291 CO 0.00 -0.02 0.77 -0.55 -0.31 0.00 0.00 175.10 175.00 1g3i s SER 292 N -0.52 7.21 0.21 4.85 0.15 -1.26 -2.32 113.70 122.03 1g3i s SER 292 Ca -0.01 1.45 0.10 0.00 0.70 0.00 0.00 55.95 58.18 1g3i s SER 292 Cb -0.04 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 1g3i s SER 292 CO -0.00 -0.00 -0.19 0.42 1.20 0.00 0.00 173.24 174.67 1g3i s THR 293 N 0.02 2.07 -1.07 6.45 -4.23 0.13 -4.89 115.64 114.13 1g3i s THR 293 Ca 0.39 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1g3i s THR 293 Cb -0.20 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1g3i s THR 293 CO 0.23 -0.39 0.18 2.29 -0.54 0.00 0.00 174.62 176.39 1g3i n LYS 294 N -0.16 0.33 0.00 3.99 2.85 -1.26 0.55 118.16 124.46 1g3i n LYS 294 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1g3i n LYS 294 Cb 0.59 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.81 1g3i n LYS 294 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1g3i n HIS 295 N 0.28 0.00 0.00 5.58 8.25 -1.26 -5.13 115.22 122.94 1g3i n HIS 295 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1g3i n HIS 295 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1g3i n HIS 295 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g3i n GLY 296 N 0.32 0.79 3.68 -1.41 0.00 0.19 -4.67 105.19 104.09 1g3i n GLY 296 Ca 0.00 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 1g3i n GLY 296 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g3i s MET 297 N -1.10 4.21 0.10 1.61 -1.94 -1.26 0.23 119.30 121.14 1g3i s MET 297 Ca 0.00 0.30 0.10 0.00 -1.71 0.00 0.00 55.69 54.38 1g3i s MET 297 Cb 0.00 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 1g3i s MET 297 CO 0.00 -0.03 -0.26 0.14 -0.01 0.00 0.00 175.02 174.86 1g3i s VAL 298 N 1.26 2.26 -0.19 -6.03 -7.23 -0.98 -4.99 120.40 104.50 1g3i s VAL 298 Ca 0.22 -1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1g3i s VAL 298 Cb -0.15 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.83 1g3i s VAL 298 CO 0.09 0.20 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.42 1g3i s LYS 299 N -1.76 3.26 0.00 4.82 1.02 -1.26 -1.91 119.74 123.92 1g3i s LYS 299 Ca 0.13 -0.70 0.16 0.00 0.02 0.00 0.00 55.97 55.58 1g3i s LYS 299 Cb -0.10 -2.79 0.88 0.00 -0.52 0.00 0.00 37.83 35.30 1g3i s LYS 299 CO 0.05 -0.11 1.40 0.25 -0.92 0.00 0.00 175.35 176.02 1g3i n THR 300 N 4.46 0.24 -0.32 2.17 -2.24 -0.65 -3.76 114.28 114.19 1g3i n THR 300 Ca -0.19 0.06 0.19 0.00 -2.27 0.00 0.00 64.05 61.84 1g3i n THR 300 Cb 0.51 -0.81 0.39 0.00 -2.10 0.00 0.00 70.33 68.32 1g3i n THR 300 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1g3i h ASP 301 N 0.00 0.36 -0.26 3.42 5.19 -1.81 -2.55 116.42 120.77 1g3i h ASP 301 Ca 0.00 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1g3i h ASP 301 Cb 0.06 0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1g3i h ASP 301 CO 0.00 -0.10 0.00 1.41 -3.12 0.00 0.00 179.24 177.43 1g3i n HIS 302 N -5.09 0.34 -1.99 4.55 8.25 -1.25 -4.72 115.22 115.32 1g3i n HIS 302 Ca 0.27 -0.49 -0.41 0.00 -0.26 0.00 0.00 57.72 56.83 1g3i n HIS 302 Cb 0.83 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.89 1g3i n HIS 302 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1g3i s ILE 303 N -0.99 2.56 -0.08 1.59 -1.09 -0.96 -4.67 121.20 117.55 1g3i s ILE 303 Ca 0.17 0.50 -0.24 0.00 -2.23 0.00 0.00 60.65 58.85 1g3i s ILE 303 Cb 0.09 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 1g3i s ILE 303 CO 0.12 0.09 0.72 -0.22 -1.23 0.00 0.00 174.94 174.42 1g3i s LEU 304 N -0.85 4.30 -0.12 2.97 2.96 0.22 -4.86 118.68 123.30 1g3i s LEU 304 Ca 0.57 1.19 -0.02 0.00 -0.22 0.00 0.00 54.13 55.64 1g3i s LEU 304 Cb -0.42 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 1g3i s LEU 304 CO 0.48 -0.16 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.96 1g3i s PHE 305 N 0.99 3.05 -0.18 5.38 0.40 -1.26 -0.24 117.98 126.12 1g3i s PHE 305 Ca 0.38 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 1g3i s PHE 305 Cb -0.18 -1.86 0.04 0.00 0.51 0.00 0.00 43.02 41.53 1g3i s PHE 305 CO 0.18 0.18 -0.10 0.42 0.70 0.00 0.00 175.22 176.60 1g3i s ILE 306 N -0.23 1.51 0.09 0.64 1.01 0.15 -1.73 121.20 122.64 1g3i s ILE 306 Ca 0.04 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.90 1g3i s ILE 306 Cb -0.13 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1g3i s ILE 306 CO 0.02 0.23 0.05 0.00 0.00 0.00 0.00 174.94 175.25 1g3i s ALA 307 N 1.47 3.46 0.08 9.38 0.00 0.76 -0.44 121.76 136.46 1g3i s ALA 307 Ca 0.01 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 1g3i s ALA 307 Cb -0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 1g3i s ALA 307 CO -0.09 0.72 -0.02 -1.54 0.00 0.00 0.00 175.76 174.83 1g3i s SER 308 N -2.40 0.62 0.00 0.00 1.04 -0.50 -0.48 113.70 111.98 1g3i s SER 308 Ca 0.28 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1g3i s SER 308 Cb -0.12 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1g3i s SER 308 CO 0.21 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1g3i n GLY 309 N 0.04 0.98 0.07 7.32 0.00 -0.85 -1.30 105.19 111.45 1g3i n GLY 309 Ca -0.12 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1g3i n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3i h ALA 310 N 0.00 -0.01 -5.13 4.61 0.00 -1.87 -1.24 119.26 115.62 1g3i h ALA 310 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.28 1g3i h ALA 310 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 17.79 17.95 1g3i h ALA 310 CO 0.00 -0.12 -0.70 1.19 0.00 0.00 0.00 179.25 179.62 1g3i n PHE 311 N -4.72 -2.00 0.04 0.00 3.72 -1.26 -4.29 117.46 108.95 1g3i n PHE 311 Ca -0.09 0.78 -0.01 0.00 -0.05 0.00 0.00 57.45 58.08 1g3i n PHE 311 Cb 0.37 -4.33 -0.08 0.00 -0.94 0.00 0.00 39.48 34.51 1g3i n PHE 311 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1g3i h GLN 312 N -1.32 0.00 0.00 -1.08 3.07 -1.94 -3.41 115.11 110.43 1g3i h GLN 312 Ca -0.52 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 57.90 1g3i h GLN 312 Cb 1.28 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.79 1g3i h GLN 312 CO 0.41 0.33 -2.05 1.33 0.09 0.00 0.00 178.83 178.94 1g3i n VAL 313 N -2.93 1.22 -3.60 1.86 0.24 -1.26 -5.00 118.33 108.85 1g3i n VAL 313 Ca -0.09 -0.25 -0.31 0.00 -2.04 0.00 0.00 64.34 61.66 1g3i n VAL 313 Cb 0.85 -1.84 -0.04 0.00 -1.47 0.00 0.00 33.84 31.34 1g3i n VAL 313 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g3i s ALA 314 N -2.43 3.74 0.33 2.33 0.00 -1.26 -5.10 121.76 119.38 1g3i s ALA 314 Ca -0.29 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 1g3i s ALA 314 Cb 0.11 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1g3i s ALA 314 CO 0.37 0.56 0.55 1.03 0.00 0.00 0.00 175.76 178.28 1g3i s ARG 315 N -2.89 3.52 0.48 0.00 0.52 -1.26 -4.53 118.95 114.79 1g3i s ARG 315 Ca 0.42 -0.24 0.25 0.00 -0.52 0.00 0.00 55.73 55.64 1g3i s ARG 315 Cb -0.12 -2.65 1.19 0.00 0.52 0.00 0.00 34.95 33.89 1g3i s ARG 315 CO 0.25 0.16 1.96 -1.35 0.02 0.00 0.00 175.30 176.34 1g3i h PRO 316 N 0.98 0.00 -1.29 3.54 0.11 -1.99 -2.18 132.00 131.16 1g3i h PRO 316 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1g3i h PRO 316 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1g3i h PRO 316 CO 0.63 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.47 1g3i n SER 317 N -3.57 1.42 0.00 -2.05 3.41 -1.26 -0.81 113.62 110.76 1g3i n SER 317 Ca -0.01 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1g3i n SER 317 Cb 0.33 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1g3i n SER 317 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1g3i n ASP 318 N 0.64 0.66 -4.91 4.04 9.92 -0.82 -5.02 116.55 121.06 1g3i n ASP 318 Ca 0.00 -0.92 -0.27 0.00 -0.53 0.00 0.00 54.79 53.07 1g3i n ASP 318 Cb 0.24 0.10 0.06 0.00 -0.64 0.00 0.00 41.12 40.88 1g3i n ASP 318 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1g3i s LEU 319 N -0.20 2.91 0.18 0.64 1.43 0.01 -4.33 118.68 119.33 1g3i s LEU 319 Ca 0.00 0.71 -0.31 0.00 -1.03 0.00 0.00 54.13 53.50 1g3i s LEU 319 Cb 0.00 -3.42 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 1g3i s LEU 319 CO 0.00 -1.43 1.46 0.27 0.23 0.00 0.00 176.35 176.88 1g3i s ILE 320 N -3.24 2.86 0.30 -0.59 -4.36 -1.26 -4.70 121.20 110.21 1g3i s ILE 320 Ca 0.58 0.66 0.05 0.00 -0.26 0.00 0.00 60.65 61.68 1g3i s ILE 320 Cb -0.11 -3.42 0.31 0.00 1.25 0.00 0.00 42.46 40.49 1g3i s ILE 320 CO 0.47 0.07 1.66 -0.65 0.24 0.00 0.00 174.94 176.73 1g3i h PRO 321 N 6.11 0.27 -0.89 0.37 0.11 -1.95 0.29 132.00 136.30 1g3i h PRO 321 Ca -0.44 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 65.87 1g3i h PRO 321 Cb 1.21 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 1g3i h PRO 321 CO 0.85 0.18 0.40 0.93 -0.21 0.00 0.00 178.00 180.14 1g3i h GLU 322 N 0.28 0.41 0.05 1.05 3.07 -2.00 -2.25 114.58 115.18 1g3i h GLU 322 Ca 0.60 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.32 1g3i h GLU 322 Cb 1.24 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1g3i h GLU 322 CO -0.62 0.27 -0.55 1.25 -1.40 0.00 0.00 179.01 177.97 1g3i h LEU 323 N 0.42 0.15 0.00 1.33 5.85 -0.93 -3.30 115.31 118.84 1g3i h LEU 323 Ca 0.55 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1g3i h LEU 323 Cb 1.02 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1g3i h LEU 323 CO -0.51 1.24 0.23 1.67 -0.34 0.00 0.00 178.44 180.73 1g3i n GLN 324 N -4.39 0.00 0.00 1.25 7.27 0.23 0.95 117.38 122.69 1g3i n GLN 324 Ca -0.16 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1g3i n GLN 324 Cb 0.64 -1.73 0.00 0.00 2.41 0.00 0.00 30.24 31.56 1g3i n GLN 324 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1g3i n GLY 325 N -1.16 -0.12 0.69 1.69 0.00 -0.97 -4.29 105.19 101.03 1g3i n GLY 325 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1g3i n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g3i n ARG 326 N -0.54 1.83 -3.78 1.61 5.12 0.27 -4.26 116.66 116.92 1g3i n ARG 326 Ca 0.00 -1.38 -0.28 0.00 -1.93 0.00 0.00 57.85 54.26 1g3i n ARG 326 Cb 0.00 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 29.72 1g3i n ARG 326 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1g3i n LEU 327 N 0.62 3.04 -0.03 0.55 4.77 -0.78 -4.33 117.00 120.85 1g3i n LEU 327 Ca 0.15 -5.23 -0.15 0.00 -0.03 0.00 0.00 56.01 50.75 1g3i n LEU 327 Cb 0.49 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 1g3i n LEU 327 CO 0.18 1.83 0.46 1.55 -1.33 0.00 0.00 177.39 180.08 1g3i h PRO 328 N 5.13 0.29 -6.58 3.23 0.14 -1.74 -3.44 132.00 129.03 1g3i h PRO 328 Ca 0.16 -0.23 -0.56 0.00 0.14 0.00 0.00 66.00 65.51 1g3i h PRO 328 Cb 0.74 0.05 -0.06 0.00 0.14 0.00 0.00 31.00 31.86 1g3i h PRO 328 CO 0.73 0.87 0.94 0.42 0.14 0.00 0.00 178.00 181.10 1g3i s ILE 329 N -3.64 4.20 -0.15 -3.56 1.01 -1.05 -5.01 121.20 113.00 1g3i s ILE 329 Ca -0.15 1.27 -0.06 0.00 0.00 0.00 0.00 60.65 61.72 1g3i s ILE 329 Cb 0.03 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1g3i s ILE 329 CO 0.76 -0.83 0.05 -0.13 0.00 0.00 0.00 174.94 174.78 1g3i s ARG 330 N 4.37 3.65 0.00 2.79 1.81 -1.26 -0.97 118.95 129.34 1g3i s ARG 330 Ca 0.50 -0.35 0.01 0.00 -1.72 0.00 0.00 55.73 54.18 1g3i s ARG 330 Cb -0.10 -3.08 -0.00 0.00 -0.45 0.00 0.00 34.95 31.31 1g3i s ARG 330 CO 0.28 0.43 -0.03 0.54 -0.68 0.00 0.00 175.30 175.84 1g3i s VAL 331 N -0.10 0.25 0.10 3.52 0.11 -0.92 -4.97 120.40 118.39 1g3i s VAL 331 Ca 0.06 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1g3i s VAL 331 Cb -0.12 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 1g3i s VAL 331 CO 0.01 0.02 0.10 -0.70 -3.33 0.00 0.00 175.10 171.20 1g3i s GLU 332 N -0.20 2.90 0.16 1.54 2.12 -1.26 -0.63 118.70 123.32 1g3i s GLU 332 Ca -0.00 -0.73 0.09 0.00 0.36 0.00 0.00 54.97 54.69 1g3i s GLU 332 Cb -0.02 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 1g3i s GLU 332 CO -0.00 0.55 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.55 1g3i s LEU 333 N -2.57 2.40 0.27 2.70 1.02 -0.27 -4.38 118.68 117.84 1g3i s LEU 333 Ca 0.30 -0.82 0.06 0.00 0.02 0.00 0.00 54.13 53.69 1g3i s LEU 333 Cb -0.12 -0.95 -0.03 0.00 0.02 0.00 0.00 46.19 45.12 1g3i s LEU 333 CO 0.22 0.04 0.33 0.42 0.02 0.00 0.00 176.35 177.38 1g3i s THR 334 N -1.70 4.73 0.61 5.49 -4.23 -1.26 -4.50 115.64 114.77 1g3i s THR 334 Ca 0.15 -1.12 -0.18 0.00 -1.18 0.00 0.00 61.69 59.35 1g3i s THR 334 Cb -0.07 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1g3i s THR 334 CO 0.07 -0.29 1.22 0.00 -0.54 0.00 0.00 174.62 175.08 1g3i s ALA 335 N -2.08 2.49 -0.05 3.99 0.00 -1.26 -4.79 121.76 120.07 1g3i s ALA 335 Ca 0.36 1.04 -0.21 0.00 0.00 0.00 0.00 51.96 53.15 1g3i s ALA 335 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1g3i s ALA 335 CO 0.28 -1.29 0.62 -0.51 0.00 0.00 0.00 175.76 174.87 1g3i s LEU 336 N -4.19 4.35 0.43 0.00 1.02 -1.26 -5.05 118.68 113.98 1g3i s LEU 336 Ca 0.78 1.12 0.01 0.00 0.02 0.00 0.00 54.13 56.07 1g3i s LEU 336 Cb -0.32 -2.96 -0.00 0.00 0.02 0.00 0.00 46.19 42.93 1g3i s LEU 336 CO 0.35 -0.01 0.63 -0.55 0.02 0.00 0.00 176.35 176.80 1g3i s SER 337 N 0.37 5.85 0.08 2.29 0.15 -1.26 -4.89 113.70 116.29 1g3i s SER 337 Ca 0.33 0.19 -0.25 0.00 0.70 0.00 0.00 55.95 56.92 1g3i s SER 337 Cb -0.17 -1.47 -0.10 0.00 -1.71 0.00 0.00 66.02 62.57 1g3i s SER 337 CO 0.16 -0.66 1.40 0.00 1.20 0.00 0.00 173.24 175.35 1g3i h ALA 338 N 0.49 -0.78 -1.00 5.45 0.00 -1.97 1.12 119.26 122.57 1g3i h ALA 338 Ca -0.46 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 54.62 1g3i h ALA 338 Cb 1.25 0.89 -0.12 0.00 0.00 0.00 0.00 17.79 19.81 1g3i h ALA 338 CO 0.56 -0.92 0.61 0.00 0.00 0.00 0.00 179.25 179.50 1g3i h ALA 339 N -0.62 1.74 -0.24 0.00 0.00 -1.96 0.32 119.26 118.49 1g3i h ALA 339 Ca 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1g3i h ALA 339 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1g3i h ALA 339 CO -0.31 -0.16 0.10 -0.44 0.00 0.00 0.00 179.25 178.44 1g3i h ASP 340 N 0.67 0.33 -0.57 0.00 3.32 -0.61 -2.25 116.42 117.32 1g3i h ASP 340 Ca 0.61 -0.16 0.11 0.00 0.02 0.00 0.00 57.03 57.61 1g3i h ASP 340 Cb 1.06 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 40.44 1g3i h ASP 340 CO -0.43 0.40 0.07 -0.26 -1.72 0.00 0.00 179.24 177.30 1g3i h PHE 341 N 0.24 0.09 -1.06 4.55 0.04 0.48 0.13 116.94 121.42 1g3i h PHE 341 Ca 0.08 0.04 0.39 0.00 2.80 0.00 0.00 57.97 61.28 1g3i h PHE 341 Cb 0.17 0.05 -0.16 0.00 2.20 0.00 0.00 35.95 38.21 1g3i h PHE 341 CO -0.01 -0.08 0.61 0.93 -0.60 0.00 0.00 178.31 179.16 1g3i h GLU 342 N 0.19 0.12 0.11 1.51 5.08 -0.59 0.40 114.58 121.40 1g3i h GLU 342 Ca 0.29 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.41 1g3i h GLU 342 Cb 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1g3i h GLU 342 CO -0.42 0.08 -1.15 0.00 -1.00 0.00 0.00 179.01 176.51 1g3i h ARG 343 N 0.12 0.24 -0.10 2.33 3.08 -0.69 -3.15 114.38 116.21 1g3i h ARG 343 Ca 0.81 -0.41 0.03 0.00 0.07 0.00 0.00 59.98 60.48 1g3i h ARG 343 Cb 2.12 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 32.32 1g3i h ARG 343 CO -0.65 1.19 0.15 0.82 -1.07 0.00 0.00 179.97 180.41 1g3i h ILE 344 N -0.39 0.33 -0.48 2.04 1.08 0.06 0.24 117.51 120.38 1g3i h ILE 344 Ca -0.24 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.17 1g3i h ILE 344 Cb 1.67 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 36.27 1g3i h ILE 344 CO 0.07 0.00 0.06 0.25 -0.69 0.00 0.00 178.15 177.84 1g3i h LEU 345 N 0.00 0.72 0.00 1.44 5.85 -0.27 -3.41 115.31 119.64 1g3i h LEU 345 Ca 0.05 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1g3i h LEU 345 Cb 0.34 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1g3i h LEU 345 CO -0.00 0.75 -0.53 0.35 -0.34 0.00 0.00 178.44 178.68 1g3i n THR 346 N -4.25 0.00 0.30 1.05 -2.24 -0.10 -3.44 114.28 105.59 1g3i n THR 346 Ca 0.03 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 1g3i n THR 346 Cb 0.26 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 67.91 1g3i n THR 346 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1g3i h GLU 347 N 0.00 -0.76 -5.58 -0.78 5.08 -1.31 -3.43 114.58 107.79 1g3i h GLU 347 Ca 0.00 0.05 -0.65 0.00 -1.00 0.00 0.00 59.36 57.76 1g3i h GLU 347 Cb 0.53 0.17 0.09 0.00 0.50 0.00 0.00 28.75 30.04 1g3i h GLU 347 CO 0.00 -0.46 -0.37 -2.30 -1.00 0.00 0.00 179.01 174.88 1g3i n PRO 348 N -5.32 0.00 -1.61 2.33 -0.02 -1.26 -4.77 135.00 124.35 1g3i n PRO 348 Ca -0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.94 1g3i n PRO 348 Cb 0.34 -1.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.75 1g3i n PRO 348 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1g3i n HIS 349 N 0.32 2.02 -1.91 6.00 8.25 -1.04 -1.61 115.22 127.25 1g3i n HIS 349 Ca 0.17 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1g3i n HIS 349 Cb 0.20 -2.74 0.00 0.00 1.12 0.00 0.00 29.99 28.57 1g3i n HIS 349 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g3i n ALA 350 N 11.28 0.00 -0.69 -1.41 0.00 -1.26 -4.98 120.51 123.45 1g3i n ALA 350 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 1g3i n ALA 350 Cb 0.44 -0.44 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1g3i n ALA 350 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1g3i s SER 351 N -2.80 0.63 0.07 0.00 1.04 -0.63 -4.69 113.70 107.32 1g3i s SER 351 Ca 0.00 1.12 -0.36 0.00 0.48 0.00 0.00 55.95 57.18 1g3i s SER 351 Cb 0.00 -1.70 -0.19 0.00 0.10 0.00 0.00 66.02 64.24 1g3i s SER 351 CO 0.00 -4.36 1.57 -0.07 0.98 0.00 0.00 173.24 171.36 1g3i h LEU 352 N -2.74 -1.23 -0.11 2.42 3.38 -1.79 -0.59 115.31 114.66 1g3i h LEU 352 Ca -0.54 0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.55 1g3i h LEU 352 Cb 1.33 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 42.40 1g3i h LEU 352 CO 0.44 -0.73 -0.19 0.71 0.09 0.00 0.00 178.44 178.76 1g3i h THR 353 N -1.16 0.53 -0.58 0.22 1.35 -1.92 1.25 112.91 112.60 1g3i h THR 353 Ca -0.10 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 65.93 1g3i h THR 353 Cb 0.94 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 1g3i h THR 353 CO 0.08 0.00 0.77 -0.33 -0.25 0.00 0.00 175.52 175.80 1g3i h GLU 354 N -0.25 0.00 0.00 4.72 5.08 -1.75 -0.42 114.58 121.96 1g3i h GLU 354 Ca 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1g3i h GLU 354 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1g3i h GLU 354 CO -0.25 0.00 -0.42 1.96 -1.00 0.00 0.00 179.01 179.30 1g3i h GLN 355 N 0.00 0.00 -0.04 2.33 4.20 0.31 -3.07 115.11 118.84 1g3i h GLN 355 Ca 0.28 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.01 1g3i h GLN 355 Cb 1.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.57 1g3i h GLN 355 CO -0.00 0.65 -0.11 1.88 -0.67 0.00 0.00 178.83 180.58 1g3i h TYR 356 N -1.00 -0.28 -0.53 2.96 -1.99 0.46 0.35 116.97 116.93 1g3i h TYR 356 Ca -0.10 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.70 1g3i h TYR 356 Cb 0.81 0.13 -0.07 0.00 2.00 0.00 0.00 36.73 39.60 1g3i h TYR 356 CO 0.10 -0.17 -0.39 0.87 -0.00 0.00 0.00 178.16 178.57 1g3i h LYS 357 N -0.17 -0.09 -0.91 4.88 1.57 -1.30 1.05 116.57 121.59 1g3i h LYS 357 Ca 0.05 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.09 1g3i h LYS 357 Cb 0.25 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1g3i h LYS 357 CO -0.14 -0.06 0.64 0.00 -0.57 0.00 0.00 179.45 179.32 1g3i h ALA 358 N -0.15 2.66 0.06 3.86 0.00 -1.25 0.13 119.26 124.56 1g3i h ALA 358 Ca 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1g3i h ALA 358 Cb 0.32 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1g3i h ALA 358 CO -0.55 -0.93 -0.38 -0.07 0.00 0.00 0.00 179.25 177.32 1g3i h LEU 359 N 0.12 0.23 -1.50 0.00 -0.00 0.49 -3.27 115.31 111.39 1g3i h LEU 359 Ca 0.45 -0.95 -0.05 0.00 -0.00 0.00 0.00 57.88 57.33 1g3i h LEU 359 Cb 1.57 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 42.15 1g3i h LEU 359 CO -0.07 1.16 -0.22 0.24 -0.00 0.00 0.00 178.44 179.56 1g3i h MET 360 N -0.66 0.00 -0.23 1.13 2.86 0.24 -2.91 114.93 115.35 1g3i h MET 360 Ca -0.06 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1g3i h MET 360 Cb 1.28 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.86 1g3i h MET 360 CO 0.07 0.22 -0.32 0.00 1.06 0.00 0.00 176.91 177.94 1g3i h ALA 361 N 1.78 -0.29 -1.05 6.32 0.00 -0.81 -1.16 119.26 124.05 1g3i h ALA 361 Ca -0.00 0.05 0.28 0.00 0.00 0.00 0.00 54.91 55.24 1g3i h ALA 361 Cb 0.55 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 1g3i h ALA 361 CO 0.03 -0.76 0.69 1.15 0.00 0.00 0.00 179.25 180.36 1g3i h THR 362 N -0.33 0.51 -0.07 0.00 2.02 -1.58 0.96 112.91 114.42 1g3i h THR 362 Ca 0.12 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1g3i h THR 362 Cb 0.53 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1g3i h THR 362 CO -0.42 0.06 0.00 -0.62 0.37 0.00 0.00 175.52 174.91 1g3i n GLU 363 N -4.55 1.35 -0.18 6.66 -0.58 -0.64 -4.87 120.64 117.82 1g3i n GLU 363 Ca 0.25 -0.52 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 1g3i n GLU 363 Cb 0.93 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.44 1g3i n GLU 363 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1g3i n GLY 364 N 0.97 1.22 3.75 0.62 0.00 0.33 -4.24 105.19 107.84 1g3i n GLY 364 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1g3i n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3i s VAL 365 N -2.68 4.65 -0.30 1.61 1.01 -0.53 -2.59 120.40 121.56 1g3i s VAL 365 Ca 0.00 1.71 -0.11 0.00 0.00 0.00 0.00 61.98 63.58 1g3i s VAL 365 Cb 0.00 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1g3i s VAL 365 CO 0.00 0.38 0.18 0.21 0.00 0.00 0.00 175.10 175.86 1g3i s ASN 366 N -0.18 5.77 0.20 3.32 3.84 -0.97 -2.81 114.94 124.10 1g3i s ASN 366 Ca 0.40 -0.32 0.09 0.00 0.21 0.00 0.00 52.86 53.23 1g3i s ASN 366 Cb -0.21 -2.06 -0.04 0.00 -0.55 0.00 0.00 41.25 38.38 1g3i s ASN 366 CO 0.24 -0.15 -0.05 -0.51 -2.79 0.00 0.00 177.10 173.84 1g3i s ILE 367 N 1.68 3.37 -0.20 -5.21 2.07 -1.26 -1.12 121.20 120.52 1g3i s ILE 367 Ca 0.06 -1.66 -0.14 0.00 -1.41 0.00 0.00 60.65 57.50 1g3i s ILE 367 Cb -0.17 -2.70 0.06 0.00 0.13 0.00 0.00 42.46 39.78 1g3i s ILE 367 CO 0.08 -0.17 0.50 0.00 -1.91 0.00 0.00 174.94 173.45 1g3i s ALA 368 N -1.85 -1.29 -0.19 1.50 0.00 -0.99 -4.92 121.76 114.01 1g3i s ALA 368 Ca 0.27 1.66 -0.08 0.00 0.00 0.00 0.00 51.96 53.81 1g3i s ALA 368 Cb -0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1g3i s ALA 368 CO 0.17 -0.28 0.08 -0.06 0.00 0.00 0.00 175.76 175.67 1g3i s PHE 369 N 0.98 3.27 0.20 0.00 0.40 -1.26 -1.01 117.98 120.55 1g3i s PHE 369 Ca -0.06 0.09 -0.16 0.00 -0.60 0.00 0.00 56.93 56.20 1g3i s PHE 369 Cb -0.06 -2.11 -0.08 0.00 0.51 0.00 0.00 43.02 41.28 1g3i s PHE 369 CO -0.09 0.13 0.63 0.95 0.70 0.00 0.00 175.22 177.55 1g3i s THR 370 N 0.50 4.75 0.09 0.64 -4.23 -0.46 -4.91 115.64 112.01 1g3i s THR 370 Ca 0.04 0.96 -0.18 0.00 -1.18 0.00 0.00 61.69 61.34 1g3i s THR 370 Cb -0.12 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 1g3i s THR 370 CO 0.01 0.16 1.23 0.41 -0.54 0.00 0.00 174.62 175.89 1g3i n THR 371 N 0.57 -0.38 0.18 3.99 -1.04 -1.26 0.29 114.28 116.61 1g3i n THR 371 Ca -0.03 1.91 0.18 0.00 -2.04 0.00 0.00 64.05 64.07 1g3i n THR 371 Cb 0.52 -2.42 0.70 0.00 -1.82 0.00 0.00 70.33 67.31 1g3i n THR 371 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1g3i h ASP 372 N 0.00 0.00 -0.01 8.00 3.32 -1.94 0.38 116.42 126.17 1g3i h ASP 372 Ca 0.09 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1g3i h ASP 372 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1g3i h ASP 372 CO -0.53 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 176.92 1g3i h ALA 373 N 1.25 0.02 1.00 3.45 0.00 0.40 -0.94 119.26 124.44 1g3i h ALA 373 Ca 0.13 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1g3i h ALA 373 Cb 1.14 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1g3i h ALA 373 CO -0.00 -0.08 -0.49 0.28 0.00 0.00 0.00 179.25 178.96 1g3i h VAL 374 N -0.60 0.01 -0.99 0.00 2.07 0.51 0.76 116.25 118.01 1g3i h VAL 374 Ca -0.01 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.87 1g3i h VAL 374 Cb 0.76 0.01 -0.18 0.00 -1.52 0.00 0.00 31.29 30.36 1g3i h VAL 374 CO 0.01 0.00 0.35 0.50 0.02 0.00 0.00 177.57 178.45 1g3i h LYS 375 N -1.35 0.03 -0.06 1.57 3.64 -0.73 0.13 116.57 119.80 1g3i h LYS 375 Ca -0.14 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1g3i h LYS 375 Cb 1.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1g3i h LYS 375 CO 0.22 0.02 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.05 1g3i h LYS 376 N 0.03 0.20 -0.49 1.90 1.63 0.45 -1.50 116.57 118.79 1g3i h LYS 376 Ca 0.74 -0.14 0.10 0.00 -0.85 0.00 0.00 60.65 60.50 1g3i h LYS 376 Cb 1.82 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 33.38 1g3i h LYS 376 CO -0.81 0.75 -0.07 0.82 -3.45 0.00 0.00 179.45 176.68 1g3i h ILE 377 N -0.31 0.55 0.20 2.00 2.04 0.29 0.31 117.51 122.59 1g3i h ILE 377 Ca -0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1g3i h ILE 377 Cb 0.75 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1g3i h ILE 377 CO 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 178.15 178.09 1g3i h ALA 378 N 1.47 -0.98 -1.90 1.87 0.00 -1.05 -0.63 119.26 118.05 1g3i h ALA 378 Ca 0.24 -0.06 0.55 0.00 0.00 0.00 0.00 54.91 55.65 1g3i h ALA 378 Cb 0.37 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1g3i h ALA 378 CO -0.47 -0.96 1.36 0.93 0.00 0.00 0.00 179.25 180.11 1g3i h GLU 379 N -0.28 0.00 -0.04 0.00 3.07 -1.15 0.66 114.58 116.84 1g3i h GLU 379 Ca -0.03 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1g3i h GLU 379 Cb 0.20 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1g3i h GLU 379 CO 0.04 0.00 -0.11 0.00 -1.40 0.00 0.00 179.01 177.54 1g3i h ALA 380 N 1.06 0.06 0.68 3.43 0.00 0.00 0.83 119.26 125.33 1g3i h ALA 380 Ca 0.91 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 1g3i h ALA 380 Cb 3.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 21.41 1g3i h ALA 380 CO -0.03 -0.04 -0.36 0.00 0.00 0.00 0.00 179.25 178.81 1g3i h ALA 381 N 0.42 -0.97 -0.29 0.00 0.00 0.18 -2.26 119.26 116.33 1g3i h ALA 381 Ca -0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1g3i h ALA 381 Cb 0.73 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1g3i h ALA 381 CO 0.02 -1.05 -0.50 0.35 0.00 0.00 0.00 179.25 178.07 1g3i h PHE 382 N -0.96 -1.50 -0.50 0.00 -0.00 -1.26 -1.30 116.94 111.43 1g3i h PHE 382 Ca -0.09 0.07 0.04 0.00 -0.00 0.00 0.00 57.97 57.99 1g3i h PHE 382 Cb 0.76 0.69 -0.06 0.00 -0.00 0.00 0.00 35.95 37.34 1g3i h PHE 382 CO -0.06 -0.50 -0.29 -2.13 -0.00 0.00 0.00 178.31 175.33 1g3i n ARG 383 N -5.41 -0.22 0.12 1.11 3.00 0.29 -0.97 116.66 114.58 1g3i n ARG 383 Ca -0.04 0.96 -0.14 0.00 -0.00 0.00 0.00 57.85 58.64 1g3i n ARG 383 Cb 0.36 -1.42 -0.08 0.00 0.00 0.00 0.00 32.46 31.33 1g3i n ARG 383 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 1g3i h VAL 384 N 0.00 0.84 -0.92 5.15 3.04 -0.78 -2.33 116.25 121.26 1g3i h VAL 384 Ca 0.08 -0.09 0.18 0.00 -1.01 0.00 0.00 66.70 65.86 1g3i h VAL 384 Cb 0.20 0.90 -0.17 0.00 -2.01 0.00 0.00 31.29 30.21 1g3i h VAL 384 CO -0.47 0.02 -0.24 0.78 -1.01 0.00 0.00 177.57 176.66 1g3i h ASN 385 N -0.29 -0.89 -0.36 3.17 4.21 0.06 0.63 115.58 122.11 1g3i h ASN 385 Ca -0.02 0.28 -0.00 0.00 1.21 0.00 0.00 56.30 57.76 1g3i h ASN 385 Cb 0.22 0.58 -0.02 0.00 -1.12 0.00 0.00 38.32 37.98 1g3i h ASN 385 CO 0.04 -0.30 0.22 -0.08 -1.29 0.00 0.00 177.43 176.02 1g3i h GLU 386 N -0.00 0.48 0.00 0.81 4.81 -0.89 -3.02 114.58 116.77 1g3i h GLU 386 Ca 0.44 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1g3i h GLU 386 Cb 0.67 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1g3i h GLU 386 CO -0.95 0.36 -0.13 0.87 -0.73 0.00 0.00 179.01 178.43 1g3i h LYS 387 N 0.47 0.00 0.00 1.92 1.79 0.63 -3.47 116.57 117.91 1g3i h LYS 387 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1g3i h LYS 387 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1g3i h LYS 387 CO -0.02 0.13 0.00 0.25 -1.08 0.00 0.00 179.45 178.73 1g3i n THR 388 N -3.36 0.00 -2.84 -0.16 -2.24 0.57 -4.87 114.28 101.38 1g3i n THR 388 Ca -0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1g3i n THR 388 Cb 0.33 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 1g3i n THR 388 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1g3i s GLU 389 N 3.55 3.23 -0.68 -0.78 2.56 -1.26 -4.92 118.70 120.39 1g3i s GLU 389 Ca 0.00 -0.98 -0.26 0.00 0.00 0.00 0.00 54.97 53.73 1g3i s GLU 389 Cb 0.00 -4.41 -0.10 0.00 2.00 0.00 0.00 34.13 31.62 1g3i s GLU 389 CO 0.00 -1.85 2.35 1.21 -0.56 0.00 0.00 175.26 176.41 1g3i s ASN 390 N 3.74 4.23 -0.29 -1.70 3.84 -1.19 -4.78 114.94 118.80 1g3i s ASN 390 Ca 0.26 0.39 0.04 0.00 0.21 0.00 0.00 52.86 53.76 1g3i s ASN 390 Cb -0.13 -2.53 0.47 0.00 -0.55 0.00 0.00 41.25 38.50 1g3i s ASN 390 CO 0.06 -3.37 1.59 2.30 -2.79 0.00 0.00 177.10 174.88 1g3i n ILE 391 N 8.36 2.41 -3.46 -5.21 -5.35 -1.26 -4.75 119.36 110.10 1g3i n ILE 391 Ca 0.41 -1.25 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 1g3i n ILE 391 Cb 0.48 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.78 1g3i n ILE 391 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g3i n GLY 392 N -0.48 2.80 0.12 3.28 0.00 -1.24 -2.64 105.19 107.04 1g3i n GLY 392 Ca 0.38 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1g3i n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3i n ALA 393 N 9.69 1.94 0.20 4.61 0.00 -0.63 -2.75 120.51 133.58 1g3i n ALA 393 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.54 1g3i n ALA 393 Cb 0.00 -1.43 0.57 0.00 0.00 0.00 0.00 19.45 18.59 1g3i n ALA 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3i h ARG 394 N 0.00 0.11 -0.23 0.00 2.47 -1.74 -1.10 114.38 113.89 1g3i h ARG 394 Ca 0.00 -0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.78 1g3i h ARG 394 Cb 0.54 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1g3i h ARG 394 CO 0.00 0.11 0.33 -0.09 0.56 0.00 0.00 179.97 180.88 1g3i h ARG 395 N 0.11 0.00 0.14 0.04 9.65 -1.67 -0.38 114.38 122.27 1g3i h ARG 395 Ca 0.03 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1g3i h ARG 395 Cb 0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1g3i h ARG 395 CO -0.00 0.00 -0.07 -0.07 2.80 0.00 0.00 179.97 182.63 1g3i h LEU 396 N 0.00 -0.16 -1.23 3.80 3.38 -1.44 0.16 115.31 119.81 1g3i h LEU 396 Ca 0.11 -0.37 0.25 0.00 0.09 0.00 0.00 57.88 57.97 1g3i h LEU 396 Cb 0.76 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 1g3i h LEU 396 CO -0.00 0.33 0.64 0.45 0.09 0.00 0.00 178.44 179.95 1g3i h HIS 397 N -0.72 0.80 0.04 1.13 3.86 -1.22 0.59 115.15 119.62 1g3i h HIS 397 Ca -0.02 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1g3i h HIS 397 Cb 0.52 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1g3i h HIS 397 CO 0.08 0.08 -0.02 1.15 0.86 0.00 0.00 177.93 180.08 1g3i h THR 398 N 0.48 1.21 -0.25 2.45 2.02 -1.15 -1.89 112.91 115.78 1g3i h THR 398 Ca 0.61 -0.81 -0.15 0.00 0.77 0.00 0.00 66.41 66.83 1g3i h THR 398 Cb 1.37 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 1g3i h THR 398 CO -0.36 0.21 -0.44 0.58 0.37 0.00 0.00 175.52 175.88 1g3i h VAL 399 N -0.41 1.30 0.48 3.16 2.07 0.69 -2.62 116.25 120.93 1g3i h VAL 399 Ca -0.01 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 1g3i h VAL 399 Cb 0.38 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1g3i h VAL 399 CO 0.01 0.52 -0.23 0.24 0.02 0.00 0.00 177.57 178.12 1g3i h MET 400 N 0.52 -0.62 -0.03 1.57 2.86 0.06 -0.70 114.93 118.58 1g3i h MET 400 Ca 0.04 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1g3i h MET 400 Cb 0.97 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1g3i h MET 400 CO 0.09 -0.39 0.10 1.49 1.06 0.00 0.00 176.91 179.26 1g3i h GLU 401 N -0.70 0.00 0.06 1.72 4.57 -1.34 0.35 114.58 119.24 1g3i h GLU 401 Ca -0.07 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.87 1g3i h GLU 401 Cb 0.52 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1g3i h GLU 401 CO 0.11 0.00 -1.13 -0.09 -1.18 0.00 0.00 179.01 176.72 1g3i h ARG 402 N 0.00 0.13 0.00 1.92 2.43 -0.98 -3.20 114.38 114.69 1g3i h ARG 402 Ca 0.02 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 1g3i h ARG 402 Cb 0.22 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1g3i h ARG 402 CO -0.00 1.11 -0.32 1.25 -1.51 0.00 0.00 179.97 180.50 1g3i h LEU 403 N 0.04 0.00 0.00 3.80 6.46 0.56 -3.28 115.31 122.88 1g3i h LEU 403 Ca -0.07 -0.70 0.00 0.00 -0.12 0.00 0.00 57.88 56.99 1g3i h LEU 403 Cb 1.87 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.80 1g3i h LEU 403 CO 0.17 1.03 0.00 0.23 -0.62 0.00 0.00 178.44 179.25 1g3i n MET 404 N -4.59 0.34 0.00 1.25 2.81 0.10 -4.19 117.12 112.84 1g3i n MET 404 Ca -0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1g3i n MET 404 Cb 0.45 -1.06 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 1g3i n MET 404 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1g3i n ASP 405 N -0.56 0.00 -0.07 7.83 -0.08 -1.21 -1.22 116.55 121.24 1g3i n ASP 405 Ca 0.01 0.37 -0.03 0.00 -1.51 0.00 0.00 54.79 53.63 1g3i n ASP 405 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1g3i n ASP 405 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1g3i h LYS 406 N 0.00 -0.04 -0.95 -0.67 6.56 -1.87 -0.95 116.57 118.66 1g3i h LYS 406 Ca 0.00 0.00 0.23 0.00 -1.06 0.00 0.00 60.65 59.83 1g3i h LYS 406 Cb 0.00 0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 31.54 1g3i h LYS 406 CO 0.00 -0.02 0.49 0.82 -2.06 0.00 0.00 179.45 178.67 1g3i h ILE 407 N -0.04 0.50 -0.24 1.86 2.04 -1.85 0.28 117.51 120.06 1g3i h ILE 407 Ca 0.03 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.79 1g3i h ILE 407 Cb 0.11 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1g3i h ILE 407 CO -0.19 0.09 0.23 -1.28 0.00 0.00 0.00 178.15 176.99 1g3i h SER 408 N 0.48 0.00 0.00 1.72 0.87 0.27 0.60 113.55 117.49 1g3i h SER 408 Ca 0.60 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 1g3i h SER 408 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1g3i h SER 408 CO -0.51 0.00 -0.02 0.15 -0.53 0.00 0.00 176.83 175.92 1g3i h PHE 409 N 0.00 0.00 0.00 2.24 3.57 -0.35 -3.39 116.94 119.00 1g3i h PHE 409 Ca 0.11 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1g3i h PHE 409 Cb 0.56 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1g3i h PHE 409 CO 0.00 0.00 -0.14 0.77 -2.23 0.00 0.00 178.31 176.71 1g3i h SER 410 N -0.24 0.00 -0.76 0.41 0.02 -1.48 -3.19 113.55 108.31 1g3i h SER 410 Ca 0.00 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 61.17 1g3i h SER 410 Cb 0.02 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1g3i h SER 410 CO 0.00 0.14 1.15 0.00 -1.14 0.00 0.00 176.83 176.98 1g3i h ALA 411 N 1.86 2.71 0.45 3.77 0.00 0.02 0.65 119.26 128.72 1g3i h ALA 411 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1g3i h ALA 411 Cb 0.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1g3i h ALA 411 CO 0.02 -1.54 -0.22 1.03 0.00 0.00 0.00 179.25 178.54 1g3i h SER 412 N 0.00 -0.51 -0.48 0.00 0.87 -1.79 -3.20 113.55 108.43 1g3i h SER 412 Ca 0.36 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1g3i h SER 412 Cb 2.65 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 64.74 1g3i h SER 412 CO -0.00 -0.13 0.02 -0.90 -0.53 0.00 0.00 176.83 175.29 1g3i n ASP 413 N -5.22 4.79 -1.19 6.23 3.85 0.13 -3.94 116.55 121.20 1g3i n ASP 413 Ca -0.10 -2.78 0.06 0.00 -0.71 0.00 0.00 54.79 51.26 1g3i n ASP 413 Cb 0.30 -0.66 0.29 0.00 -1.35 0.00 0.00 41.12 39.70 1g3i n ASP 413 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99 1g3i n MET 414 N 0.44 3.27 -1.14 0.11 1.56 -0.63 -5.04 117.12 115.69 1g3i n MET 414 Ca 0.24 -2.95 -0.37 0.00 -0.27 0.00 0.00 57.70 54.34 1g3i n MET 414 Cb 1.04 -1.96 0.03 0.00 2.15 0.00 0.00 33.22 34.48 1g3i n MET 414 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1g3i n ASN 415 N -0.32 -4.47 0.00 6.12 2.85 -1.25 -3.33 115.26 114.85 1g3i n ASN 415 Ca 0.25 0.45 0.00 0.00 -0.11 0.00 0.00 54.58 55.17 1g3i n ASN 415 Cb 1.00 -0.84 0.00 0.00 1.24 0.00 0.00 39.78 41.18 1g3i n ASN 415 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1g3i n GLY 416 N 2.85 0.93 3.03 8.20 0.00 -1.07 -4.92 105.19 114.20 1g3i n GLY 416 Ca 0.04 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1g3i n GLY 416 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3i n GLN 417 N 0.00 -0.10 -4.13 1.61 6.02 -1.21 -4.47 117.38 115.10 1g3i n GLN 417 Ca 0.00 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 1g3i n GLN 417 Cb 0.00 -1.06 -0.17 0.00 1.02 0.00 0.00 30.24 30.03 1g3i n GLN 417 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1g3i s THR 418 N -2.02 0.69 -0.14 5.09 -4.23 -1.26 -2.28 115.64 111.49 1g3i s THR 418 Ca 0.39 -0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 1g3i s THR 418 Cb -0.01 -0.72 -0.05 0.00 1.34 0.00 0.00 72.50 73.07 1g3i s THR 418 CO 0.72 0.28 0.21 -0.69 -0.54 0.00 0.00 174.62 174.59 1g3i s VAL 419 N 1.17 5.38 -0.67 2.29 1.01 -0.28 -4.98 120.40 124.33 1g3i s VAL 419 Ca -0.07 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1g3i s VAL 419 Cb -0.14 -3.51 0.17 0.00 0.00 0.00 0.00 36.38 32.90 1g3i s VAL 419 CO -0.01 0.51 0.49 0.21 0.00 0.00 0.00 175.10 176.29 1g3i s ASN 420 N -0.31 5.28 -0.54 3.32 3.84 -1.26 -2.35 114.94 122.91 1g3i s ASN 420 Ca 0.14 -3.04 -0.27 0.00 0.21 0.00 0.00 52.86 49.91 1g3i s ASN 420 Cb -0.13 -1.85 -0.01 0.00 -0.55 0.00 0.00 41.25 38.72 1g3i s ASN 420 CO 0.03 -0.32 1.67 -0.63 -2.79 0.00 0.00 177.10 175.06 1g3i s ILE 421 N -0.33 3.55 0.43 -5.21 1.01 -0.18 -4.89 121.20 115.57 1g3i s ILE 421 Ca 0.19 0.43 0.06 0.00 0.00 0.00 0.00 60.65 61.33 1g3i s ILE 421 Cb -0.18 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.12 1g3i s ILE 421 CO -0.05 -0.94 0.03 1.51 0.00 0.00 0.00 174.94 175.49 1g3i s ASP 422 N 6.24 3.98 0.30 3.58 3.84 -1.26 -1.35 116.67 131.99 1g3i s ASP 422 Ca 0.63 -1.38 0.02 0.00 -0.00 0.00 0.00 52.55 51.82 1g3i s ASP 422 Cb -0.14 -0.26 0.73 0.00 -1.38 0.00 0.00 42.92 41.87 1g3i s ASP 422 CO 0.24 -0.53 1.61 0.00 -0.00 0.00 0.00 175.17 176.50 1g3i h ALA 423 N 1.66 1.22 -0.23 2.11 0.00 -1.88 0.26 119.26 122.41 1g3i h ALA 423 Ca -0.44 0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1g3i h ALA 423 Cb 1.25 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1g3i h ALA 423 CO 0.79 -0.53 -0.07 0.00 0.00 0.00 0.00 179.25 179.43 1g3i h ALA 424 N 1.87 0.13 0.17 0.00 0.00 -1.95 0.58 119.26 120.06 1g3i h ALA 424 Ca 0.57 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.57 1g3i h ALA 424 Cb 1.18 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1g3i h ALA 424 CO -0.77 -0.49 -0.45 -0.92 0.00 0.00 0.00 179.25 176.63 1g3i h TYR 425 N -0.02 -1.28 0.30 0.00 -0.00 -0.86 -1.86 116.97 113.24 1g3i h TYR 425 Ca 0.11 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.88 1g3i h TYR 425 Cb 0.19 0.54 -0.03 0.00 -0.00 0.00 0.00 36.73 37.43 1g3i h TYR 425 CO -0.25 -0.52 -0.39 0.28 -0.00 0.00 0.00 178.16 177.28 1g3i h VAL 426 N -0.69 0.21 -1.18 1.81 2.07 -1.05 0.14 116.25 117.57 1g3i h VAL 426 Ca -0.02 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.85 1g3i h VAL 426 Cb 0.67 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1g3i h VAL 426 CO -0.21 0.00 1.05 0.00 0.02 0.00 0.00 177.57 178.43 1g3i h ALA 427 N -0.29 3.06 0.00 1.67 0.00 0.37 -0.66 119.26 123.41 1g3i h ALA 427 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1g3i h ALA 427 Cb 0.69 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1g3i h ALA 427 CO -0.12 -1.65 -0.11 -3.47 0.00 0.00 0.00 179.25 173.90 1g3i n ASP 428 N -3.69 0.38 -0.36 0.00 -0.08 -0.45 -3.87 116.55 108.48 1g3i n ASP 428 Ca 0.26 0.32 0.34 0.00 -1.51 0.00 0.00 54.79 54.20 1g3i n ASP 428 Cb 1.42 -0.58 0.52 0.00 2.34 0.00 0.00 41.12 44.82 1g3i n ASP 428 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g3i n ALA 429 N -2.55 1.20 0.09 -1.67 0.00 0.35 0.18 120.51 118.10 1g3i n ALA 429 Ca -0.02 0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.93 1g3i n ALA 429 Cb 0.06 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1g3i n ALA 429 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1g3i n LEU 430 N -3.29 0.84 0.00 0.00 4.77 -0.36 -4.66 117.00 114.29 1g3i n LEU 430 Ca 0.28 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1g3i n LEU 430 Cb 1.55 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.61 1g3i n LEU 430 CO 0.28 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1g3i n GLY 431 N 1.23 -1.19 3.92 -0.72 0.00 0.47 -4.88 105.19 104.02 1g3i n GLY 431 Ca -0.02 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 1g3i n GLY 431 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g3i s GLU 432 N 0.00 3.57 0.36 1.61 2.02 -1.26 -4.93 118.70 120.07 1g3i s GLU 432 Ca 0.00 -0.11 -0.25 0.00 0.02 0.00 0.00 54.97 54.63 1g3i s GLU 432 Cb 0.00 -2.65 -0.10 0.00 0.10 0.00 0.00 34.13 31.48 1g3i s GLU 432 CO 0.00 0.18 0.97 0.08 0.02 0.00 0.00 175.26 176.51 1g3i s VAL 433 N -2.18 4.12 0.34 2.63 1.01 -1.26 -5.08 120.40 119.98 1g3i s VAL 433 Ca 0.42 1.65 0.08 0.00 0.00 0.00 0.00 61.98 64.13 1g3i s VAL 433 Cb -0.10 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1g3i s VAL 433 CO 0.33 0.03 0.25 -0.69 0.00 0.00 0.00 175.10 175.02 1g3i s VAL 434 N -1.72 3.28 -0.15 2.92 1.01 -1.26 -5.14 120.40 119.35 1g3i s VAL 434 Ca 0.54 -1.48 -0.34 0.00 0.00 0.00 0.00 61.98 60.69 1g3i s VAL 434 Cb -0.18 -3.10 0.14 0.00 0.00 0.00 0.00 36.38 33.24 1g3i s VAL 434 CO 0.23 -0.16 1.33 -0.70 0.00 0.00 0.00 175.10 175.79 1g3i s GLU 435 N -3.95 0.19 -1.86 2.72 2.12 -1.26 -5.02 118.70 111.64 1g3i s GLU 435 Ca 0.40 -0.09 -0.23 0.00 0.36 0.00 0.00 54.97 55.41 1g3i s GLU 435 Cb -0.04 0.08 0.22 0.00 0.26 0.00 0.00 34.13 34.65 1g3i s GLU 435 CO 0.25 -0.09 0.62 0.09 -0.54 0.00 0.00 175.26 175.59 1g3i n ASN 436 N -0.27 -1.99 -0.18 -1.70 3.02 -1.26 -4.83 115.26 108.05 1g3i n ASN 436 Ca -0.03 -1.22 -0.06 0.00 -0.03 0.00 0.00 54.58 53.24 1g3i n ASN 436 Cb 0.60 -1.76 -0.05 0.00 -0.61 0.00 0.00 39.78 37.96 1g3i n ASN 436 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1g3i h GLU 437 N -0.97 -0.04 0.00 3.52 4.81 -2.00 -3.35 114.58 116.55 1g3i h GLU 437 Ca -0.60 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 1g3i h GLU 437 Cb 1.39 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1g3i h GLU 437 CO 0.88 -0.03 0.00 -0.40 -0.73 0.00 0.00 179.01 178.73 1g3i n ASP 438 N -4.13 0.00 0.00 1.04 5.75 -1.26 -4.62 116.55 113.33 1g3i n ASP 438 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1g3i n ASP 438 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1g3i n ASP 438 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1g3i n LEU 439 N 0.00 0.00 0.00 -2.12 4.77 -1.26 -4.04 117.00 114.35 1g3i n LEU 439 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1g3i n LEU 439 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1g3i n LEU 439 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.52 1g3i n SER 440 N 0.05 0.00 -0.07 -1.43 3.41 -1.26 -0.92 113.62 113.40 1g3i n SER 440 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1g3i n SER 440 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 1g3i n SER 440 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1g3i n ARG 441 N -0.00 0.01 -0.02 4.33 5.12 -1.26 0.17 116.66 125.01 1g3i n ARG 441 Ca 0.00 0.53 0.03 0.00 -1.93 0.00 0.00 57.85 56.48 1g3i n ARG 441 Cb 0.00 -1.34 0.04 0.00 -1.16 0.00 0.00 32.46 29.99 1g3i n ARG 441 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1g3i n PHE 442 N -2.20 0.05 -4.41 -1.55 3.72 -0.10 -5.04 117.46 107.93 1g3i n PHE 442 Ca 0.10 -0.12 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 1g3i n PHE 442 Cb 0.77 -0.01 -0.12 0.00 -0.94 0.00 0.00 39.48 39.18 1g3i n PHE 442 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1g3i s ILE 443 N -0.58 2.75 -0.13 4.37 1.01 0.44 -5.08 121.20 123.98 1g3i s ILE 443 Ca 0.08 -1.45 0.01 0.00 0.00 0.00 0.00 60.65 59.28 1g3i s ILE 443 Cb 0.05 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.30 1g3i s ILE 443 CO 0.07 0.16 0.53 -0.11 0.00 0.00 0.00 174.94 175.59