#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 0.28 0.89 1.43 2.56 -1.26 -5.14 118.70 117.46 1g3i s GLU 3 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 54.97 54.69 1g3i s GLU 3 Cb 0.00 0.10 0.13 0.00 2.00 0.00 0.00 34.13 36.36 1g3i s GLU 3 CO 0.00 -0.13 1.16 -1.64 -0.56 0.00 0.00 175.26 174.09 1g3i s MET 4 N -2.31 1.29 0.23 4.30 -1.94 -1.26 -5.08 119.30 114.52 1g3i s MET 4 Ca 0.14 0.17 0.08 0.00 -1.71 0.00 0.00 55.69 54.38 1g3i s MET 4 Cb 0.06 -1.87 -0.05 0.00 2.01 0.00 0.00 34.83 34.98 1g3i s MET 4 CO -0.05 -2.07 -0.15 0.95 -0.01 0.00 0.00 175.02 173.69 1g3i s THR 5 N -3.41 1.89 0.01 2.05 -4.23 -1.26 -4.89 115.64 105.80 1g3i s THR 5 Ca 0.64 -2.24 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1g3i s THR 5 Cb -0.13 -2.15 -0.00 0.00 1.34 0.00 0.00 72.50 71.56 1g3i s THR 5 CO 0.52 -0.52 0.78 -2.65 -0.54 0.00 0.00 174.62 172.22 1g3i n PRO 6 N -0.46 -0.03 0.13 3.99 -0.02 -1.26 0.41 135.00 137.77 1g3i n PRO 6 Ca -0.07 0.78 0.03 0.00 -2.02 0.00 0.00 63.50 62.22 1g3i n PRO 6 Cb 0.61 -1.17 0.40 0.00 -0.02 0.00 0.00 33.50 33.32 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 0.21 -0.65 -0.52 2.43 -1.97 -2.53 114.38 111.35 1g3i h ARG 7 Ca 0.01 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1g3i h ARG 7 Cb 0.02 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1g3i h ARG 7 CO -0.06 0.36 0.07 1.49 -1.51 0.00 0.00 179.97 180.32 1g3i h GLU 8 N 0.20 1.10 -0.06 0.20 4.81 -1.00 -2.78 114.58 117.04 1g3i h GLU 8 Ca 0.04 -0.32 -0.19 0.00 -0.13 0.00 0.00 59.36 58.76 1g3i h GLU 8 Cb 0.37 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.65 1g3i h GLU 8 CO 0.02 1.03 -0.71 0.82 -0.73 0.00 0.00 179.01 179.45 1g3i h ILE 9 N 1.02 1.34 -0.64 2.32 2.04 0.29 -3.07 117.51 120.82 1g3i h ILE 9 Ca 0.19 -2.01 0.11 0.00 1.00 0.00 0.00 64.86 64.15 1g3i h ILE 9 Cb 0.49 2.30 -0.08 0.00 -0.74 0.00 0.00 36.82 38.78 1g3i h ILE 9 CO 0.02 0.61 0.22 0.58 0.00 0.00 0.00 178.15 179.58 1g3i h VAL 10 N 0.21 0.71 -0.19 1.67 2.07 -1.44 -1.46 116.25 117.82 1g3i h VAL 10 Ca -0.07 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1g3i h VAL 10 Cb 1.37 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1g3i h VAL 10 CO 0.14 0.07 -0.36 0.28 0.02 0.00 0.00 177.57 177.72 1g3i h SER 11 N 0.38 -1.17 -0.71 0.57 0.02 -1.42 0.29 113.55 111.51 1g3i h SER 11 Ca 0.33 0.15 0.16 0.00 -0.84 0.00 0.00 61.79 61.59 1g3i h SER 11 Cb 0.45 0.47 -0.13 0.00 0.14 0.00 0.00 62.40 63.34 1g3i h SER 11 CO -0.35 -0.29 -0.04 -0.08 -1.14 0.00 0.00 176.83 174.94 1g3i h GLU 12 N -0.31 0.08 -0.62 3.45 4.57 -1.33 -0.42 114.58 119.99 1g3i h GLU 12 Ca 0.04 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1g3i h GLU 12 Cb 0.41 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1g3i h GLU 12 CO -0.34 0.05 0.18 -0.07 -1.18 0.00 0.00 179.01 177.65 1g3i h LEU 13 N 0.08 0.88 -2.12 1.64 3.38 -0.24 -1.61 115.31 117.32 1g3i h LEU 13 Ca 0.38 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1g3i h LEU 13 Cb 0.64 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1g3i h LEU 13 CO -0.65 0.83 0.02 0.44 0.09 0.00 0.00 178.44 179.17 1g3i h ASP 14 N 0.91 0.00 1.29 -0.43 3.32 0.13 0.34 116.42 121.98 1g3i h ASP 14 Ca 0.20 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1g3i h ASP 14 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1g3i h ASP 14 CO -0.01 0.00 -0.08 1.56 -1.72 0.00 0.00 179.24 178.99 1g3i h GLN 15 N 0.00 0.00 0.00 3.56 4.20 -1.02 -3.36 115.11 118.49 1g3i h GLN 15 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1g3i h GLN 15 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1g3i h GLN 15 CO 0.00 0.08 -0.79 0.72 -0.67 0.00 0.00 178.83 178.18 1g3i n HIS 16 N -3.17 0.00 -4.68 2.96 8.25 -0.04 -1.79 115.22 116.75 1g3i n HIS 16 Ca 0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.16 1g3i n HIS 16 Cb 0.42 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.61 2.92 -0.21 1.59 1.09 -0.35 -4.86 121.20 119.77 1g3i s ILE 17 Ca 0.00 -1.06 -0.09 0.00 -1.10 0.00 0.00 60.65 58.40 1g3i s ILE 17 Cb 0.00 -2.22 -0.04 0.00 -1.06 0.00 0.00 42.46 39.14 1g3i s ILE 17 CO 0.00 0.39 0.10 -0.63 -0.10 0.00 0.00 174.94 174.69 1g3i s ILE 18 N -0.90 4.95 0.00 2.92 -1.09 -1.26 -4.49 121.20 121.32 1g3i s ILE 18 Ca 0.14 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 1g3i s ILE 18 Cb -0.11 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1g3i s ILE 18 CO 0.05 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1g3i n GLY 19 N 3.95 0.54 3.81 6.18 0.00 -1.26 -4.92 105.19 113.49 1g3i n GLY 19 Ca -0.16 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 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 3.45 -0.89 0.02 1.61 1.13 -1.26 -4.89 117.38 116.55 1g3i n GLN 20 Ca 0.00 0.39 -0.09 0.00 -1.94 0.00 0.00 57.00 55.36 1g3i n GLN 20 Cb 0.00 -3.40 -0.07 0.00 0.11 0.00 0.00 30.24 26.88 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 1.16 -0.17 -0.79 -1.58 0.00 -1.92 -2.97 119.26 113.00 1g3i h ALA 21 Ca -0.65 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.21 1g3i h ALA 21 Cb 1.37 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.10 1g3i h ALA 21 CO 0.48 -0.21 0.20 -0.44 0.00 0.00 0.00 179.25 179.27 1g3i h ASP 22 N -0.93 0.01 -0.36 0.00 3.32 -1.91 0.12 116.42 116.67 1g3i h ASP 22 Ca -0.02 0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.25 1g3i h ASP 22 Cb 0.50 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 1g3i h ASP 22 CO 0.03 -0.07 0.08 0.00 -1.72 0.00 0.00 179.24 177.56 1g3i h ALA 23 N 1.67 0.39 -0.08 3.45 0.00 -1.80 0.12 119.26 123.01 1g3i h ALA 23 Ca 0.46 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1g3i h ALA 23 Cb 0.84 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1g3i h ALA 23 CO -0.56 -0.32 0.04 0.87 0.00 0.00 0.00 179.25 179.28 1g3i h LYS 24 N 0.21 0.09 -0.02 0.00 1.57 -0.66 -2.05 116.57 115.70 1g3i h LYS 24 Ca 0.17 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1g3i h LYS 24 Cb 0.19 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1g3i h LYS 24 CO -0.22 0.06 -0.19 -0.09 -0.57 0.00 0.00 179.45 178.44 1g3i h ARG 25 N 0.09 -0.29 -0.59 3.15 2.43 -0.63 -0.65 114.38 117.88 1g3i h ARG 25 Ca 0.03 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1g3i h ARG 25 Cb 0.00 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 29.51 1g3i h ARG 25 CO -0.02 -0.19 -0.39 0.00 -1.51 0.00 0.00 179.97 177.86 1g3i h ALA 26 N 0.62 -0.19 0.00 2.80 0.00 -0.45 0.89 119.26 122.93 1g3i h ALA 26 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1g3i h ALA 26 Cb 0.38 0.88 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1g3i h ALA 26 CO -0.19 -0.76 0.00 -0.39 0.00 0.00 0.00 179.25 177.91 1g3i h VAL 27 N -0.19 0.00 0.33 0.00 -1.51 -0.99 -2.02 116.25 111.87 1g3i h VAL 27 Ca 0.21 -0.41 -0.02 0.00 -1.23 0.00 0.00 66.70 65.25 1g3i h VAL 27 Cb 0.56 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1g3i h VAL 27 CO -0.69 0.00 -0.16 0.00 -1.23 0.00 0.00 177.57 175.49 1g3i h ALA 28 N 2.03 -0.59 -1.00 5.19 0.00 0.22 0.53 119.26 125.63 1g3i h ALA 28 Ca 0.00 -0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.05 1g3i h ALA 28 Cb 0.43 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 1g3i h ALA 28 CO 0.00 -0.56 0.60 -0.84 0.00 0.00 0.00 179.25 178.45 1g3i h ILE 29 N -0.81 0.57 0.29 0.00 3.07 -0.49 0.17 117.51 120.31 1g3i h ILE 29 Ca -0.05 -0.21 -0.01 0.00 1.55 0.00 0.00 64.86 66.14 1g3i h ILE 29 Cb 0.34 -0.10 0.00 0.00 -0.27 0.00 0.00 36.82 36.79 1g3i h ILE 29 CO 0.07 0.11 -0.14 0.00 -1.05 0.00 0.00 178.15 177.14 1g3i h ALA 30 N 1.72 -1.10 -0.53 0.16 0.00 -1.27 0.15 119.26 118.38 1g3i h ALA 30 Ca 0.63 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.61 1g3i h ALA 30 Cb 1.17 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1g3i h ALA 30 CO -0.46 -1.07 0.43 1.25 0.00 0.00 0.00 179.25 179.40 1g3i h LEU 31 N -0.40 0.00 -0.36 0.00 5.85 0.97 -0.87 115.31 120.50 1g3i h LEU 31 Ca -0.04 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 1g3i h LEU 31 Cb 0.31 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1g3i h LEU 31 CO 0.06 0.00 -0.46 -0.09 -0.34 0.00 0.00 178.44 177.61 1g3i h ARG 32 N 0.00 0.90 -0.23 1.25 9.65 -0.16 -2.68 114.38 123.11 1g3i h ARG 32 Ca 0.25 -0.52 0.07 0.00 -1.10 0.00 0.00 59.98 58.68 1g3i h ARG 32 Cb 1.11 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1g3i h ARG 32 CO -0.00 1.16 0.27 -0.91 2.80 0.00 0.00 179.97 183.29 1g3i h ASN 33 N 0.71 0.00 -0.73 -3.80 2.35 0.51 0.21 115.58 114.83 1g3i h ASN 33 Ca 0.04 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1g3i h ASN 33 Cb 1.06 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.40 1g3i h ASN 33 CO 0.11 0.00 0.23 -0.09 -1.65 0.00 0.00 177.43 176.03 1g3i h ARG 34 N 0.00 1.14 -0.04 0.81 9.65 -1.43 -1.14 114.38 123.37 1g3i h ARG 34 Ca 0.11 -0.24 -0.18 0.00 -1.10 0.00 0.00 59.98 58.57 1g3i h ARG 34 Cb 0.65 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1g3i h ARG 34 CO -0.00 0.97 -0.76 2.35 2.80 0.00 0.00 179.97 185.33 1g3i h TRP 35 N 1.08 0.36 0.66 2.20 7.01 -0.72 -3.31 115.95 123.23 1g3i h TRP 35 Ca 0.24 -0.17 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 1g3i h TRP 35 Cb 0.30 -0.05 0.01 0.00 -2.10 0.00 0.00 29.16 27.32 1g3i h TRP 35 CO 0.02 0.92 -0.32 0.00 -2.79 0.00 0.00 178.44 176.28 1g3i h ARG 36 N 0.17 -0.86 -7.27 2.65 3.08 -0.64 -3.37 114.38 108.14 1g3i h ARG 36 Ca -0.03 0.06 -0.43 0.00 0.07 0.00 0.00 59.98 59.65 1g3i h ARG 36 Cb 1.34 0.20 0.19 0.00 0.08 0.00 0.00 29.97 31.77 1g3i h ARG 36 CO 0.12 -0.57 0.09 0.50 -1.07 0.00 0.00 179.97 179.04 1g3i s ARG 37 N -4.75 -0.69 -1.33 0.04 3.52 -0.49 -2.60 118.95 112.65 1g3i s ARG 37 Ca -0.13 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 1g3i s ARG 37 Cb 0.01 -1.61 0.00 0.00 -1.56 0.00 0.00 34.95 31.79 1g3i s ARG 37 CO 0.39 -3.47 0.00 -0.12 -0.81 0.00 0.00 175.30 171.29 1g3i n MET 38 N -4.68 -1.04 0.00 5.12 1.56 -1.26 -4.51 117.12 112.31 1g3i n MET 38 Ca 0.06 0.83 0.00 0.00 -0.27 0.00 0.00 57.70 58.32 1g3i n MET 38 Cb 0.57 -5.01 0.00 0.00 2.15 0.00 0.00 33.22 30.93 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 -2.46 0.00 -2.85 2.12 -0.06 -1.07 -4.98 117.38 108.08 1g3i n GLN 39 Ca -0.15 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.64 1g3i n GLN 39 Cb 0.54 -0.04 0.02 0.00 -4.06 0.00 0.00 30.24 26.71 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 3.48 0.13 1.69 1.43 -1.23 -5.08 118.68 119.10 1g3i s LEU 40 Ca 0.00 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 1g3i s LEU 40 Cb 0.00 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.27 1g3i s LEU 40 CO 0.00 -0.92 0.74 -1.10 0.23 0.00 0.00 176.35 175.30 1g3i s GLN 41 N -4.59 4.50 0.00 1.70 -1.52 -1.26 -4.46 119.66 114.02 1g3i s GLN 41 Ca 0.54 1.07 0.00 0.00 -1.95 0.00 0.00 55.36 55.02 1g3i s GLN 41 Cb -0.10 -3.28 0.00 0.00 -0.22 0.00 0.00 33.01 29.41 1g3i s GLN 41 CO 0.37 0.52 0.00 -1.91 -0.25 0.00 0.00 175.29 174.02 1g3i n GLU 42 N 1.87 0.00 0.15 2.91 4.07 -1.26 -1.27 120.64 127.11 1g3i n GLU 42 Ca -0.06 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.88 1g3i n GLU 42 Cb 0.49 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.78 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 -0.74 0.06 5.31 0.11 -2.01 -3.10 132.00 131.63 1g3i h PRO 43 Ca 0.00 0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.92 1g3i h PRO 43 Cb 0.00 0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1g3i h PRO 43 CO 0.00 -0.49 -1.07 -0.07 -0.21 0.00 0.00 178.00 176.16 1g3i h LEU 44 N -0.76 0.39 -1.66 2.35 3.38 -1.55 -2.97 115.31 114.49 1g3i h LEU 44 Ca -0.01 -0.37 0.28 0.00 0.09 0.00 0.00 57.88 57.88 1g3i h LEU 44 Cb 0.75 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1g3i h LEU 44 CO -0.23 1.22 0.91 -0.09 0.09 0.00 0.00 178.44 180.34 1g3i h ARG 45 N 0.12 0.00 0.00 1.13 2.43 -1.40 0.46 114.38 117.11 1g3i h ARG 45 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1g3i h ARG 45 Cb 1.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 1g3i h ARG 45 CO 0.17 0.00 -1.18 1.58 -1.51 0.00 0.00 179.97 179.03 1g3i n HIS 46 N -3.66 0.00 0.07 2.20 -0.00 -1.19 -4.44 115.22 108.20 1g3i n HIS 46 Ca 0.21 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.32 1g3i n HIS 46 Cb 1.22 -0.17 -0.07 0.00 -0.12 0.00 0.00 29.99 30.85 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 0.01 -6.64 1.57 4.39 0.05 -3.45 114.58 110.50 1g3i h GLU 47 Ca 0.00 -0.01 -0.51 0.00 0.34 0.00 0.00 59.36 59.18 1g3i h GLU 47 Cb 0.41 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1g3i h GLU 47 CO 0.00 0.94 0.24 0.54 -1.16 0.00 0.00 179.01 179.58 1g3i s VAL 48 N -2.87 4.28 0.15 3.13 0.11 -0.67 -5.06 120.40 119.47 1g3i s VAL 48 Ca 0.00 1.79 0.09 0.00 -2.93 0.00 0.00 61.98 60.93 1g3i s VAL 48 Cb 0.10 -4.15 -0.04 0.00 -1.53 0.00 0.00 36.38 30.77 1g3i s VAL 48 CO 0.81 0.43 -0.20 0.42 -3.33 0.00 0.00 175.10 173.23 1g3i s THR 49 N -1.26 1.86 0.53 5.04 -4.23 -1.26 -5.00 115.64 111.32 1g3i s THR 49 Ca 0.40 -1.83 -0.18 0.00 -1.18 0.00 0.00 61.69 58.90 1g3i s THR 49 Cb -0.23 -1.81 -0.13 0.00 1.34 0.00 0.00 72.50 71.68 1g3i s THR 49 CO 0.27 -0.22 0.11 -2.65 -0.54 0.00 0.00 174.62 171.59 1g3i n PRO 50 N 0.51 0.18 -2.12 3.99 -0.02 -1.26 -4.91 135.00 131.36 1g3i n PRO 50 Ca -0.15 0.07 -0.34 0.00 -2.02 0.00 0.00 63.50 61.06 1g3i n PRO 50 Cb 0.56 -1.25 0.03 0.00 -0.02 0.00 0.00 33.50 32.81 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 0.94 3.05 0.00 -0.52 4.76 -1.26 -5.04 118.16 120.09 1g3i n LYS 51 Ca 0.09 -3.93 0.00 0.00 -2.87 0.00 0.00 58.31 51.60 1g3i n LYS 51 Cb 0.47 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 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 -0.54 0.00 -4.47 4.39 3.02 -1.26 -4.14 115.26 112.26 1g3i n ASN 52 Ca 0.48 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.72 1g3i n ASN 52 Cb 0.45 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.50 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 2.90 -0.25 2.41 1.01 -0.28 -2.87 121.20 124.12 1g3i s ILE 53 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1g3i s ILE 53 Cb 0.00 -2.21 0.06 0.00 0.01 0.00 0.00 42.46 40.33 1g3i s ILE 53 CO 0.00 0.39 -0.06 -0.22 0.00 0.00 0.00 174.94 175.06 1g3i s LEU 54 N -1.29 2.94 -0.03 2.97 2.96 -0.11 0.10 118.68 126.22 1g3i s LEU 54 Ca 0.14 -1.31 -0.15 0.00 -0.22 0.00 0.00 54.13 52.59 1g3i s LEU 54 Cb -0.11 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.23 1g3i s LEU 54 CO 0.05 -0.24 0.42 -0.04 -1.32 0.00 0.00 176.35 175.21 1g3i s MET 55 N 1.29 4.02 -0.18 1.98 -1.94 0.96 -2.35 119.30 123.07 1g3i s MET 55 Ca -0.05 0.40 -0.00 0.00 -1.71 0.00 0.00 55.69 54.33 1g3i s MET 55 Cb -0.19 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 33.39 1g3i s MET 55 CO -0.07 0.57 -0.15 0.42 -0.01 0.00 0.00 175.02 175.78 1g3i s ILE 56 N -0.68 2.49 0.05 2.53 1.09 -0.50 -2.21 121.20 123.98 1g3i s ILE 56 Ca 0.24 -0.80 -0.02 0.00 -1.10 0.00 0.00 60.65 58.96 1g3i s ILE 56 Cb -0.16 -2.07 0.01 0.00 -1.06 0.00 0.00 42.46 39.18 1g3i s ILE 56 CO 0.12 0.51 0.12 0.61 -0.10 0.00 0.00 174.94 176.20 1g3i n GLY 57 N 4.54 1.77 0.29 6.18 0.00 -0.67 -1.20 105.19 116.11 1g3i n GLY 57 Ca -0.20 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.08 0.57 -2.70 1.61 -0.02 -1.26 -3.66 135.00 129.45 1g3i n PRO 58 Ca -0.01 -0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 60.86 1g3i n PRO 58 Cb 0.08 -0.05 -0.05 0.00 -0.02 0.00 0.00 33.50 33.47 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 -0.00 4.32 -0.84 3.45 2.01 -1.26 -4.44 115.64 118.88 1g3i s THR 59 Ca 0.05 2.01 -0.01 0.00 0.31 0.00 0.00 61.69 64.05 1g3i s THR 59 Cb -0.00 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1g3i s THR 59 CO 0.03 0.35 0.60 0.61 -0.69 0.00 0.00 174.62 175.52 1g3i n GLY 60 N 2.06 -1.31 0.00 4.40 0.00 -1.26 -3.40 105.19 105.68 1g3i n GLY 60 Ca 0.01 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.72 0.37 0.00 1.61 0.24 -1.26 -1.42 118.33 115.15 1g3i n VAL 61 Ca -0.32 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1g3i n VAL 61 Cb 0.70 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.18 1.15 0.26 7.63 0.00 -1.26 -4.87 105.19 107.91 1g3i n GLY 62 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.06 -0.03 1.61 5.02 -1.26 -0.44 118.16 123.00 1g3i n LYS 63 Ca 0.00 1.11 -0.15 0.00 -2.02 0.00 0.00 58.31 57.24 1g3i n LYS 63 Cb 0.00 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 33.21 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 1.63 -0.29 -0.18 2.02 -1.99 -3.02 112.91 111.07 1g3i h THR 64 Ca 0.36 -2.17 0.06 0.00 0.77 0.00 0.00 66.41 65.43 1g3i h THR 64 Cb 0.58 3.06 -0.06 0.00 -1.74 0.00 0.00 68.15 69.99 1g3i h THR 64 CO -0.73 0.59 -0.13 -0.33 0.37 0.00 0.00 175.52 175.29 1g3i h GLU 65 N -0.67 -0.08 -0.74 6.66 4.39 -1.32 0.52 114.58 123.34 1g3i h GLU 65 Ca -0.04 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.83 1g3i h GLU 65 Cb 1.09 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.65 1g3i h GLU 65 CO 0.05 -0.05 0.14 0.82 -1.16 0.00 0.00 179.01 178.81 1g3i h ILE 66 N -0.08 0.47 0.24 3.13 2.04 -0.86 0.81 117.51 123.26 1g3i h ILE 66 Ca 0.15 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1g3i h ILE 66 Cb 0.31 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1g3i h ILE 66 CO -0.35 0.04 -0.11 0.00 0.00 0.00 0.00 178.15 177.73 1g3i h ALA 67 N 1.64 -0.32 -0.90 1.87 0.00 -0.68 -0.85 119.26 120.01 1g3i h ALA 67 Ca 0.42 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1g3i h ALA 67 Cb 0.73 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1g3i h ALA 67 CO -0.55 -0.47 0.58 -0.09 0.00 0.00 0.00 179.25 178.72 1g3i h ARG 68 N -0.75 0.75 -0.03 0.00 2.43 0.93 -1.04 114.38 116.67 1g3i h ARG 68 Ca -0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1g3i h ARG 68 Cb 0.50 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1g3i h ARG 68 CO 0.05 0.49 -0.04 0.00 -1.51 0.00 0.00 179.97 178.96 1g3i h ARG 69 N 0.77 0.08 -0.70 0.20 2.47 0.64 -1.40 114.38 116.44 1g3i h ARG 69 Ca 0.44 -0.05 0.15 0.00 -1.26 0.00 0.00 59.98 59.27 1g3i h ARG 69 Cb 0.62 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.82 1g3i h ARG 69 CO -0.21 0.61 -0.04 1.25 0.56 0.00 0.00 179.97 182.14 1g3i h LEU 70 N -0.45 -0.40 0.24 3.04 5.85 -0.24 0.70 115.31 124.05 1g3i h LEU 70 Ca 0.00 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1g3i h LEU 70 Cb 0.60 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1g3i h LEU 70 CO 0.01 -0.18 -0.16 0.00 -0.34 0.00 0.00 178.44 177.77 1g3i h ALA 71 N 1.66 -0.38 -0.21 1.25 0.00 -1.22 -0.92 119.26 119.45 1g3i h ALA 71 Ca 0.37 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1g3i h ALA 71 Cb 0.62 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1g3i h ALA 71 CO -0.64 -0.73 -0.16 -0.22 0.00 0.00 0.00 179.25 177.50 1g3i h LYS 72 N -0.40 -0.16 0.00 0.00 1.63 0.44 0.13 116.57 118.21 1g3i h LYS 72 Ca -0.02 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1g3i h LYS 72 Cb 0.34 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1g3i h LYS 72 CO 0.01 -0.11 0.00 1.37 -3.45 0.00 0.00 179.45 177.27 1g3i h LEU 73 N -0.17 0.00 -2.17 5.20 8.10 0.42 -0.91 115.31 125.78 1g3i h LEU 73 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.11 1g3i h LEU 73 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.57 1g3i h LEU 73 CO -0.31 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.02 1g3i n ALA 74 N -1.86 2.43 -3.90 0.17 0.00 -0.12 -4.93 120.51 112.30 1g3i n ALA 74 Ca 0.01 -0.88 -0.29 0.00 0.00 0.00 0.00 53.44 52.28 1g3i n ALA 74 Cb 0.22 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.41 -1.99 -4.51 0.00 5.15 0.26 -4.95 115.26 110.64 1g3i n ASN 75 Ca 0.17 -1.05 -0.31 0.00 -0.60 0.00 0.00 54.58 52.79 1g3i n ASN 75 Cb 0.60 -2.95 -0.12 0.00 -0.53 0.00 0.00 39.78 36.78 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 -3.80 2.75 0.10 5.20 0.00 -0.02 -5.03 121.76 120.95 1g3i s ALA 76 Ca 0.18 -1.19 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 1g3i s ALA 76 Cb -0.07 -0.82 -0.09 0.00 0.00 0.00 0.00 23.12 22.13 1g3i s ALA 76 CO 0.89 0.60 1.74 -2.14 0.00 0.00 0.00 175.76 176.85 1g3i s PRO 77 N -1.67 4.17 0.30 0.00 0.02 -1.24 -4.68 135.00 131.90 1g3i s PRO 77 Ca 0.17 2.47 0.06 0.00 0.02 0.00 0.00 61.00 63.71 1g3i s PRO 77 Cb -0.11 -3.60 -0.06 0.00 0.02 0.00 0.00 34.50 30.75 1g3i s PRO 77 CO 0.08 -0.79 -0.02 0.12 -0.33 0.00 0.00 177.00 176.06 1g3i s PHE 78 N 2.71 1.98 -0.29 6.54 5.36 -1.26 -1.26 117.98 131.76 1g3i s PHE 78 Ca 0.78 -0.77 -0.17 0.00 -0.96 0.00 0.00 56.93 55.80 1g3i s PHE 78 Cb -0.43 -1.20 0.17 0.00 -0.34 0.00 0.00 43.02 41.22 1g3i s PHE 78 CO 0.34 0.21 1.13 -1.50 -1.46 0.00 0.00 175.22 173.94 1g3i s ILE 79 N -3.08 0.00 0.09 3.12 1.10 -1.12 -4.89 121.20 116.42 1g3i s ILE 79 Ca 0.32 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.51 1g3i s ILE 79 Cb 0.06 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.63 1g3i s ILE 79 CO 0.13 0.00 -0.05 -0.75 -2.11 0.00 0.00 174.94 172.16 1g3i s LYS 80 N 1.05 2.36 -0.09 3.50 2.20 -1.26 -0.63 119.74 126.86 1g3i s LYS 80 Ca -0.07 -0.91 -0.13 0.00 -0.36 0.00 0.00 55.97 54.50 1g3i s LYS 80 Cb -0.03 -2.43 0.03 0.00 -1.51 0.00 0.00 37.83 33.89 1g3i s LYS 80 CO -0.12 0.53 0.33 0.14 -0.36 0.00 0.00 175.35 175.87 1g3i s VAL 81 N -1.25 0.02 0.23 4.02 -7.23 -0.25 -4.94 120.40 111.00 1g3i s VAL 81 Ca 0.23 -0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 59.97 1g3i s VAL 81 Cb -0.11 -0.52 -0.09 0.00 0.56 0.00 0.00 36.38 36.22 1g3i s VAL 81 CO 0.16 -0.08 1.04 -0.70 -0.31 0.00 0.00 175.10 175.21 1g3i s GLU 82 N -0.26 4.70 0.15 4.82 2.56 -1.26 -0.96 118.70 128.45 1g3i s GLU 82 Ca -0.04 1.66 -0.13 0.00 0.00 0.00 0.00 54.97 56.46 1g3i s GLU 82 Cb -0.03 -3.25 0.02 0.00 2.00 0.00 0.00 34.13 32.87 1g3i s GLU 82 CO 0.02 0.28 1.62 0.00 -0.56 0.00 0.00 175.26 176.61 1g3i h ALA 83 N 4.34 0.66 0.00 6.30 0.00 -1.61 -2.29 119.26 126.67 1g3i h ALA 83 Ca -0.45 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1g3i h ALA 83 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1g3i h ALA 83 CO 0.69 0.42 0.00 1.79 0.00 0.00 0.00 179.25 182.15 1g3i h THR 84 N 0.71 0.00 0.00 0.00 1.35 -1.83 -2.74 112.91 110.40 1g3i h THR 84 Ca 0.15 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1g3i h THR 84 Cb 0.45 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1g3i h THR 84 CO 0.02 0.00 0.23 1.17 -0.25 0.00 0.00 175.52 176.68 1g3i n LYS 85 N -2.62 0.03 -0.52 4.72 4.81 -0.86 -0.73 118.16 123.00 1g3i n LYS 85 Ca -0.00 0.40 0.05 0.00 -0.87 0.00 0.00 58.31 57.89 1g3i n LYS 85 Cb 0.16 -1.84 0.20 0.00 0.02 0.00 0.00 35.03 33.57 1g3i n LYS 85 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1g3i n PHE 86 N -1.58 0.34 0.81 5.64 3.01 -1.03 -4.91 117.46 119.73 1g3i n PHE 86 Ca -0.00 -1.36 0.00 0.00 1.01 0.00 0.00 57.45 57.09 1g3i n PHE 86 Cb 0.24 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 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 -1.14 0.59 -2.34 4.37 -1.04 0.09 -4.80 114.28 110.01 1g3i n THR 87 Ca 0.22 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.82 1g3i n THR 87 Cb 0.78 -0.77 -0.03 0.00 -1.82 0.00 0.00 70.33 68.50 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 -0.13 3.25 0.38 -2.82 2.56 -1.26 -5.10 118.70 115.57 1g3i s GLU 95 Ca 0.00 0.54 0.13 0.00 0.00 0.00 0.00 54.97 55.63 1g3i s GLU 95 Cb 0.00 -4.15 0.74 0.00 2.00 0.00 0.00 34.13 32.72 1g3i s GLU 95 CO 0.00 -1.99 1.84 -0.24 -0.56 0.00 0.00 175.26 174.31 1g3i h VAL 96 N 6.45 1.26 0.00 3.70 3.04 -1.97 -2.52 116.25 126.20 1g3i h VAL 96 Ca -0.27 -1.22 0.00 0.00 -1.01 0.00 0.00 66.70 64.20 1g3i h VAL 96 Cb 1.10 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 1g3i h VAL 96 CO 1.17 0.35 0.00 0.44 -1.01 0.00 0.00 177.57 178.52 1g3i h ASP 97 N 0.01 0.00 -0.69 3.17 3.32 -2.02 -1.89 116.42 118.33 1g3i h ASP 97 Ca -0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1g3i h ASP 97 Cb 0.63 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 1g3i h ASP 97 CO 0.05 0.00 0.45 0.77 -1.72 0.00 0.00 179.24 178.79 1g3i h SER 98 N 0.00 0.68 -0.35 6.45 4.64 -1.88 -2.19 113.55 120.91 1g3i h SER 98 Ca 0.00 -0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1g3i h SER 98 Cb 0.02 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 61.87 1g3i h SER 98 CO 0.00 0.46 -0.49 0.40 -0.87 0.00 0.00 176.83 176.33 1g3i h ILE 99 N 0.78 0.06 0.00 0.95 2.04 -1.55 1.22 117.51 121.01 1g3i h ILE 99 Ca 0.28 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.12 1g3i h ILE 99 Cb 0.13 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1g3i h ILE 99 CO -0.08 0.00 -0.09 0.40 0.00 0.00 0.00 178.15 178.38 1g3i h ILE 100 N -0.40 0.34 0.10 -0.67 1.08 -1.64 -0.36 117.51 115.96 1g3i h ILE 100 Ca 0.10 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 1g3i h ILE 100 Cb 0.61 1.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1g3i h ILE 100 CO -0.55 0.09 -0.05 -0.09 -0.69 0.00 0.00 178.15 176.85 1g3i h ARG 101 N 0.00 -0.13 -0.99 2.37 2.43 0.61 -2.59 114.38 116.07 1g3i h ARG 101 Ca -0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1g3i h ARG 101 Cb 0.38 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 1g3i h ARG 101 CO 0.01 0.37 0.65 -0.44 -1.51 0.00 0.00 179.97 179.05 1g3i h ASP 102 N -0.86 1.07 0.41 -3.80 3.45 0.15 -1.52 116.42 115.32 1g3i h ASP 102 Ca -0.01 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.43 1g3i h ASP 102 Cb 0.56 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 1g3i h ASP 102 CO 0.02 0.73 -0.38 0.25 -1.57 0.00 0.00 179.24 178.29 1g3i h LEU 103 N 1.24 -1.03 -1.00 1.55 5.85 -1.09 -0.73 115.31 120.10 1g3i h LEU 103 Ca 0.40 0.09 0.17 0.00 0.84 0.00 0.00 57.88 59.37 1g3i h LEU 103 Cb 0.03 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 41.31 1g3i h LEU 103 CO -0.13 -0.54 0.61 0.74 -0.34 0.00 0.00 178.44 178.78 1g3i h THR 104 N -0.81 0.77 -0.92 1.05 2.02 -1.04 0.14 112.91 114.13 1g3i h THR 104 Ca -0.04 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 66.91 1g3i h THR 104 Cb 0.71 -0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 1g3i h THR 104 CO -0.05 0.15 0.59 0.44 0.37 0.00 0.00 175.52 177.02 1g3i h ASP 105 N 0.83 0.95 0.07 4.18 5.19 -0.36 -0.35 116.42 126.93 1g3i h ASP 105 Ca 0.55 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.96 1g3i h ASP 105 Cb 0.76 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1g3i h ASP 105 CO -0.35 0.63 -0.03 -1.28 -3.12 0.00 0.00 179.24 175.09 1g3i h SER 106 N 1.10 -0.08 -0.84 6.45 0.87 0.66 -2.96 113.55 118.76 1g3i h SER 106 Ca 0.38 -0.36 0.18 0.00 -1.23 0.00 0.00 61.79 60.76 1g3i h SER 106 Cb 0.09 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 1g3i h SER 106 CO -0.15 0.33 0.56 0.00 -0.53 0.00 0.00 176.83 177.04 1g3i h ALA 107 N 0.36 2.17 -0.59 6.23 0.00 -0.94 0.16 119.26 126.65 1g3i h ALA 107 Ca -0.01 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1g3i h ALA 107 Cb 0.44 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1g3i h ALA 107 CO 0.02 -0.41 0.30 1.98 0.00 0.00 0.00 179.25 181.13 1g3i h MET 108 N 0.41 0.54 0.00 0.00 -1.53 -0.90 0.25 114.93 113.70 1g3i h MET 108 Ca 0.42 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.65 1g3i h MET 108 Cb 1.03 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.95 1g3i h MET 108 CO -0.15 0.36 0.00 1.17 0.14 0.00 0.00 176.91 178.43 1g3i n LYS 109 N -4.87 0.00 0.00 0.39 4.81 0.53 0.01 118.16 119.04 1g3i n LYS 109 Ca 0.07 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1g3i n LYS 109 Cb 0.18 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.74 1g3i n LYS 109 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1g3i n LEU 110 N -2.21 0.00 -0.28 3.14 7.94 -0.95 0.83 117.00 125.47 1g3i n LEU 110 Ca 0.00 0.68 -0.01 0.00 -1.11 0.00 0.00 56.01 55.57 1g3i n LEU 110 Cb 0.00 -0.33 0.06 0.00 0.53 0.00 0.00 43.42 43.68 1g3i n LEU 110 CO 0.00 -0.33 0.66 0.58 -1.11 0.00 0.00 177.39 177.18 1g3i h VAL 111 N 0.00 0.15 0.00 1.96 2.07 -0.50 -1.00 116.25 118.93 1g3i h VAL 111 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1g3i h VAL 111 Cb 0.00 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1g3i h VAL 111 CO 0.00 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.45 1g3i n ARG 112 N -5.49 0.00 0.00 1.57 3.00 0.24 -1.41 116.66 114.58 1g3i n ARG 112 Ca 0.09 0.40 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 1g3i n ARG 112 Cb 0.39 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.49 1g3i n ARG 112 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1g3i n GLN 113 N -1.66 0.00 -0.11 -0.14 7.27 0.16 -0.50 117.38 122.40 1g3i n GLN 113 Ca 0.00 0.18 -0.18 0.00 0.07 0.00 0.00 57.00 57.07 1g3i n GLN 113 Cb 0.00 -1.68 -0.12 0.00 2.41 0.00 0.00 30.24 30.84 1g3i n GLN 113 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1g3i n GLN 114 N -1.11 0.66 0.03 3.69 7.27 -0.39 -4.11 117.38 123.42 1g3i n GLN 114 Ca 0.00 0.16 0.13 0.00 0.07 0.00 0.00 57.00 57.36 1g3i n GLN 114 Cb 0.18 -1.54 0.42 0.00 2.41 0.00 0.00 30.24 31.72 1g3i n GLN 114 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1g3i n GLU 115 N -3.27 0.10 0.04 3.69 4.07 0.34 -2.53 120.64 123.08 1g3i n GLU 115 Ca -0.44 0.06 -0.20 0.00 -0.06 0.00 0.00 57.16 56.52 1g3i n GLU 115 Cb 1.00 -1.59 -0.15 0.00 -0.06 0.00 0.00 31.44 30.65 1g3i n GLU 115 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 1g3i h ILE 116 N 0.00 1.46 0.00 6.31 -0.00 -1.52 -3.08 117.51 120.68 1g3i h ILE 116 Ca 0.00 -2.52 0.00 0.00 -0.00 0.00 0.00 64.86 62.34 1g3i h ILE 116 Cb 0.58 3.15 0.00 0.00 -0.00 0.00 0.00 36.82 40.55 1g3i h ILE 116 CO 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 178.15 178.86 1g3i n ALA 117 N -2.71 1.90 0.04 0.16 0.00 -1.22 -1.79 120.51 116.89 1g3i n ALA 117 Ca -0.15 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 1g3i n ALA 117 Cb 0.83 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 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 0.70 -4.15 0.00 1.63 -1.46 -3.39 116.57 109.89 1g3i h LYS 118 Ca 0.00 -0.74 -0.73 0.00 -0.85 0.00 0.00 60.65 58.34 1g3i h LYS 118 Cb 0.37 0.21 -0.30 0.00 -0.60 0.00 0.00 32.23 31.90 1g3i h LYS 118 CO 0.00 1.31 -0.35 -0.80 -3.45 0.00 0.00 179.45 176.17 1g3i s ASN 119 N -7.27 5.72 0.00 4.20 0.01 -0.74 -4.71 114.94 112.15 1g3i s ASN 119 Ca -0.10 -2.15 0.00 0.00 -0.71 0.00 0.00 52.86 49.91 1g3i s ASN 119 Cb 0.07 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.73 1g3i s ASN 119 CO 0.92 -0.62 0.25 -1.14 -1.51 0.00 0.00 177.10 174.99 1g3i n ARG 120 N 4.57 -0.11 0.00 -0.60 0.63 -1.26 -4.86 116.66 115.04 1g3i n ARG 120 Ca -0.03 -0.27 0.00 0.00 -0.92 0.00 0.00 57.85 56.63 1g3i n ARG 120 Cb 0.41 -0.66 0.00 0.00 0.45 0.00 0.00 32.46 32.66 1g3i n ARG 120 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1g3i n ALA 121 N -0.03 1.97 0.00 5.13 0.00 -1.26 -5.19 120.51 121.13 1g3i n ALA 121 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1g3i n ALA 121 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1g3i n ALA 121 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1g3i n ASN 236 N -0.38 0.00 -0.06 0.00 5.15 -1.26 -5.23 115.26 113.48 1g3i n ASN 236 Ca 0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.84 1g3i n ASN 236 Cb 0.02 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.20 1g3i n ASN 236 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1g3i h PRO 237 N 0.00 0.54 -0.64 1.20 0.11 -2.06 -3.29 132.00 127.86 1g3i h PRO 237 Ca 0.00 -0.34 0.13 0.00 0.11 0.00 0.00 66.00 65.90 1g3i h PRO 237 Cb 0.00 0.04 -0.12 0.00 0.11 0.00 0.00 31.00 31.03 1g3i h PRO 237 CO 0.00 0.95 -0.11 0.93 -0.21 0.00 0.00 178.00 179.56 1g3i h GLU 238 N 0.19 0.03 -0.56 1.05 4.39 -2.04 0.62 114.58 118.27 1g3i h GLU 238 Ca 0.01 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1g3i h GLU 238 Cb 0.92 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1g3i h GLU 238 CO 0.07 0.02 -0.03 1.49 -1.16 0.00 0.00 179.01 179.41 1g3i h GLU 239 N 0.03 1.01 0.00 2.33 4.81 -1.99 -2.58 114.58 118.19 1g3i h GLU 239 Ca 0.32 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1g3i h GLU 239 Cb 0.50 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1g3i h GLU 239 CO -0.63 1.02 0.00 -0.11 -0.73 0.00 0.00 179.01 178.56 1g3i n LEU 240 N -4.21 0.00 -0.33 1.64 7.94 0.13 -0.34 117.00 121.82 1g3i n LEU 240 Ca 0.02 0.62 -0.08 0.00 -1.11 0.00 0.00 56.01 55.46 1g3i n LEU 240 Cb 0.35 -0.12 -0.07 0.00 0.53 0.00 0.00 43.42 44.11 1g3i n LEU 240 CO 0.44 -0.12 0.39 0.29 -1.11 0.00 0.00 177.39 177.27 1g3i n LYS 241 N -1.30 -0.34 -0.36 1.96 5.02 -0.69 0.23 118.16 122.69 1g3i n LYS 241 Ca 0.00 1.20 0.32 0.00 -2.02 0.00 0.00 58.31 57.82 1g3i n LYS 241 Cb 0.00 -1.77 0.59 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.05 0.07 1.97 5.75 -0.88 0.38 115.11 122.45 1g3i h GLN 242 Ca 0.13 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1g3i h GLN 242 Cb 0.33 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1g3i h GLN 242 CO -0.75 0.04 -0.03 0.87 -2.65 0.00 0.00 178.83 176.31 1g3i h LYS 243 N 0.06 -0.09 -1.03 1.69 1.57 0.59 -2.17 116.57 117.19 1g3i h LYS 243 Ca 0.84 0.01 0.26 0.00 -1.87 0.00 0.00 60.65 59.88 1g3i h LYS 243 Cb 2.28 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 34.50 1g3i h LYS 243 CO -0.67 0.49 0.64 0.00 -0.57 0.00 0.00 179.45 179.34 1g3i h ALA 244 N -0.06 2.02 0.62 3.86 0.00 -0.29 2.32 119.26 127.72 1g3i h ALA 244 Ca -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1g3i h ALA 244 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1g3i h ALA 244 CO 0.02 -0.47 -0.33 0.82 0.00 0.00 0.00 179.25 179.29 1g3i h ILE 245 N 0.48 0.33 0.02 0.00 2.04 -0.99 0.20 117.51 119.60 1g3i h ILE 245 Ca 0.62 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.51 1g3i h ILE 245 Cb 1.39 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1g3i h ILE 245 CO -0.39 0.00 -0.19 0.44 0.00 0.00 0.00 178.15 178.02 1g3i h ASP 246 N -0.87 -0.54 -0.96 1.72 3.45 0.12 0.74 116.42 120.08 1g3i h ASP 246 Ca -0.08 0.07 0.30 0.00 0.43 0.00 0.00 57.03 57.75 1g3i h ASP 246 Cb 0.68 0.22 -0.15 0.00 -0.56 0.00 0.00 39.33 39.52 1g3i h ASP 246 CO 0.12 -0.25 0.44 0.00 -1.57 0.00 0.00 179.24 177.98 1g3i h ALA 247 N 0.58 1.73 0.17 3.45 0.00 0.39 0.62 119.26 126.20 1g3i h ALA 247 Ca 0.05 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1g3i h ALA 247 Cb 0.37 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1g3i h ALA 247 CO -0.16 -0.56 -0.08 0.28 0.00 0.00 0.00 179.25 178.72 1g3i h VAL 248 N 0.26 0.00 -1.12 0.00 2.07 0.34 -2.58 116.25 115.21 1g3i h VAL 248 Ca 0.68 -0.71 0.32 0.00 0.82 0.00 0.00 66.70 67.82 1g3i h VAL 248 Cb 1.52 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.18 1g3i h VAL 248 CO -0.65 0.00 0.71 -0.33 0.02 0.00 0.00 177.57 177.32 1g3i h GLU 249 N -0.94 0.29 0.00 1.57 5.08 -0.04 -1.66 114.58 118.87 1g3i h GLU 249 Ca -0.02 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1g3i h GLU 249 Cb 0.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1g3i h GLU 249 CO 0.04 0.19 -0.77 1.96 -1.00 0.00 0.00 179.01 179.43 1g3i h GLN 250 N 0.30 0.00 -1.49 2.33 1.08 0.09 -3.39 115.11 114.03 1g3i h GLN 250 Ca 0.68 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 57.38 1g3i h GLN 250 Cb 1.84 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.86 1g3i h GLN 250 CO -0.38 0.71 -0.92 0.27 -0.95 0.00 0.00 178.83 177.56 1g3i n ASN 251 N -4.53 3.19 -4.84 1.46 6.94 -0.97 -4.86 115.26 111.63 1g3i n ASN 251 Ca -0.20 -3.30 -0.37 0.00 -0.02 0.00 0.00 54.58 50.69 1g3i n ASN 251 Cb 0.50 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 37.35 1g3i n ASN 251 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1g3i s GLY 252 N -3.28 2.45 -0.09 4.83 0.00 -0.64 -3.60 107.32 106.98 1g3i s GLY 252 Ca 0.40 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.91 1g3i s GLY 252 CO -0.09 0.08 -0.19 -0.42 0.00 0.00 0.00 173.10 172.48 1g3i s ILE 253 N -1.22 2.56 -0.17 0.90 -1.09 -0.39 -0.33 121.20 121.46 1g3i s ILE 253 Ca 0.29 -0.86 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 1g3i s ILE 253 Cb -0.16 -2.01 0.03 0.00 -1.58 0.00 0.00 42.46 38.73 1g3i s ILE 253 CO 0.16 0.55 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.57 1g3i s VAL 254 N 0.07 1.79 -0.27 2.92 1.01 0.03 -2.79 120.40 123.16 1g3i s VAL 254 Ca -0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 1g3i s VAL 254 Cb -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1g3i s VAL 254 CO 0.05 0.43 0.18 0.12 0.00 0.00 0.00 175.10 175.89 1g3i s PHE 255 N 1.39 3.23 -0.46 5.22 5.36 0.20 -0.69 117.98 132.23 1g3i s PHE 255 Ca 0.04 0.12 -0.08 0.00 -0.96 0.00 0.00 56.93 56.04 1g3i s PHE 255 Cb -0.14 -2.35 0.11 0.00 -0.34 0.00 0.00 43.02 40.31 1g3i s PHE 255 CO -0.11 -0.12 0.32 0.42 -1.46 0.00 0.00 175.22 174.27 1g3i s ILE 256 N 1.59 4.08 0.61 3.12 1.01 0.27 -1.09 121.20 130.78 1g3i s ILE 256 Ca 0.07 -1.78 -0.14 0.00 0.00 0.00 0.00 60.65 58.80 1g3i s ILE 256 Cb -0.15 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1g3i s ILE 256 CO 0.09 -0.73 1.04 -0.62 0.00 0.00 0.00 174.94 174.72 1g3i s ASP 257 N 2.49 5.95 -0.75 3.58 2.15 -0.14 -1.62 116.67 128.33 1g3i s ASP 257 Ca 0.06 1.63 -0.22 0.00 0.43 0.00 0.00 52.55 54.45 1g3i s ASP 257 Cb -0.25 -2.50 0.03 0.00 -0.30 0.00 0.00 42.92 39.89 1g3i s ASP 257 CO -0.01 -1.06 0.41 -0.62 -0.17 0.00 0.00 175.17 173.72 1g3i n GLU 258 N -2.37 -0.53 0.15 4.34 1.02 -0.87 -2.03 120.64 120.34 1g3i n GLU 258 Ca 0.07 -0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.17 1g3i n GLU 258 Cb 0.54 -1.15 0.39 0.00 -0.02 0.00 0.00 31.44 31.19 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 -0.45 0.00 0.00 -3.67 2.10 -1.42 -2.58 117.51 111.49 1g3i h ILE 259 Ca -0.44 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 64.95 1g3i h ILE 259 Cb 0.87 1.51 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 1g3i h ILE 259 CO 0.32 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.49 1g3i n ASP 260 N -2.49 0.28 0.13 2.19 5.75 -1.26 -2.64 116.55 118.51 1g3i n ASP 260 Ca 0.04 0.57 -0.24 0.00 -0.01 0.00 0.00 54.79 55.15 1g3i n ASP 260 Cb 0.41 -0.63 -0.16 0.00 -1.03 0.00 0.00 41.12 39.72 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 0.51 -1.26 0.11 1.79 -1.82 -3.28 116.57 112.63 1g3i h LYS 261 Ca 0.00 -0.88 -0.14 0.00 -2.18 0.00 0.00 60.65 57.45 1g3i h LYS 261 Cb 0.32 0.33 -0.08 0.00 -1.58 0.00 0.00 32.23 31.22 1g3i h LYS 261 CO 0.00 1.42 0.19 0.44 -1.08 0.00 0.00 179.45 180.41 1g3i n ILE 262 N -3.69 1.85 -2.74 1.86 -5.35 -1.08 -4.79 119.36 105.42 1g3i n ILE 262 Ca -0.18 -0.70 -0.04 0.00 -0.27 0.00 0.00 62.75 61.56 1g3i n ILE 262 Cb 1.10 -1.06 0.02 0.00 -1.74 0.00 0.00 39.64 37.96 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 -2.70 3.07 0.00 0.00 3.01 -1.26 -4.50 119.74 117.36 1g3i s LYS 264 Ca 0.13 -0.81 0.00 0.00 -1.01 0.00 0.00 55.97 54.28 1g3i s LYS 264 Cb -0.01 -2.73 0.00 0.00 -1.01 0.00 0.00 37.83 34.08 1g3i s LYS 264 CO 0.08 0.48 0.00 0.36 0.51 0.00 0.00 175.35 176.79 1g3i n LYS 265 N -0.54 0.00 0.00 1.68 2.85 -1.26 -4.84 118.16 116.05 1g3i n LYS 265 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1g3i n LYS 265 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 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 3.61 2.58 0.00 -1.26 -5.14 105.19 104.98 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 -0.10 4.61 0.00 -1.26 -4.69 120.51 119.06 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 -0.62 -0.15 0.00 0.00 0.00 0.00 19.45 18.68 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 0.33 0.01 0.00 -0.08 -1.26 -3.99 116.55 111.56 1g3i n ASP 272 Ca 0.00 -0.02 0.08 0.00 -1.51 0.00 0.00 54.79 53.34 1g3i n ASP 272 Cb 0.00 0.76 0.34 0.00 2.34 0.00 0.00 41.12 44.56 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 -2.84 0.94 0.14 5.18 0.24 -1.26 -0.49 118.33 120.24 1g3i n VAL 273 Ca -0.35 0.23 0.01 0.00 -2.04 0.00 0.00 64.34 62.20 1g3i n VAL 273 Cb 1.13 -0.99 0.10 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.00 0.00 -1.34 0.02 -1.95 -3.07 113.55 107.21 1g3i h SER 274 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1g3i h SER 274 Cb 0.27 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1g3i h SER 274 CO 0.00 0.57 -1.71 0.54 -1.14 0.00 0.00 176.83 175.08 1g3i n ARG 275 N -3.38 0.56 0.00 3.45 1.74 -0.06 -3.91 116.66 115.06 1g3i n ARG 275 Ca 0.01 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1g3i n ARG 275 Cb 0.70 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 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 -4.38 0.00 -0.12 5.56 2.13 0.36 0.12 120.64 124.30 1g3i n GLU 276 Ca -0.37 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.25 1g3i n GLU 276 Cb 0.71 -1.10 -0.10 0.00 0.27 0.00 0.00 31.44 31.22 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 -0.56 -0.35 0.40 8.31 0.00 -1.16 -4.18 105.19 107.64 1g3i n GLY 277 Ca 0.00 -0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.30 0.65 0.30 1.61 2.07 -0.44 -1.01 116.25 119.12 1g3i h VAL 278 Ca -0.56 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1g3i h VAL 278 Cb 1.73 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1g3i h VAL 278 CO -0.18 0.08 -0.28 1.56 0.02 0.00 0.00 177.57 178.77 1g3i h GLN 279 N 0.45 -0.55 -0.45 1.57 4.20 -1.73 0.27 115.11 118.87 1g3i h GLN 279 Ca 0.51 0.04 0.13 0.00 0.06 0.00 0.00 58.65 59.39 1g3i h GLN 279 Cb 1.23 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 1g3i h GLN 279 CO -0.22 -0.37 0.65 0.00 -0.67 0.00 0.00 178.83 178.22 1g3i h ARG 280 N -0.57 0.00 0.09 1.46 2.47 -1.39 0.81 114.38 117.24 1g3i h ARG 280 Ca -0.04 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.43 1g3i h ARG 280 Cb 0.49 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1g3i h ARG 280 CO -0.02 0.00 -1.16 -0.44 0.56 0.00 0.00 179.97 178.91 1g3i h ASP 281 N 0.00 0.37 1.34 7.04 3.32 0.27 -3.26 116.42 125.50 1g3i h ASP 281 Ca 0.21 -0.38 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 1g3i h ASP 281 Cb 1.52 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.94 1g3i h ASP 281 CO -0.00 1.27 -0.34 -0.07 -1.72 0.00 0.00 179.24 178.38 1g3i h LEU 282 N 0.08 0.00 -0.51 1.55 3.38 0.39 -3.37 115.31 116.83 1g3i h LEU 282 Ca -0.11 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1g3i h LEU 282 Cb 1.87 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.55 1g3i h LEU 282 CO 0.19 0.34 -0.43 -0.07 0.09 0.00 0.00 178.44 178.56 1g3i h LEU 283 N 0.00 -1.49 -1.11 1.67 3.38 -1.43 -0.19 115.31 116.14 1g3i h LEU 283 Ca -0.00 0.21 0.42 0.00 0.09 0.00 0.00 57.88 58.59 1g3i h LEU 283 Cb 1.11 0.64 -0.16 0.00 0.09 0.00 0.00 40.66 42.33 1g3i h LEU 283 CO 0.04 -0.24 0.63 -0.65 0.09 0.00 0.00 178.44 178.32 1g3i h PRO 284 N -0.16 0.06 0.15 1.13 0.11 -1.78 0.89 132.00 132.39 1g3i h PRO 284 Ca 0.08 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1g3i h PRO 284 Cb 0.38 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1g3i h PRO 284 CO -0.56 0.04 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.13 1g3i h LEU 285 N 0.06 -0.17 -0.47 2.35 4.07 -1.30 -1.02 115.31 118.83 1g3i h LEU 285 Ca 0.83 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.87 1g3i h LEU 285 Cb 2.29 0.04 -0.09 0.00 1.08 0.00 0.00 40.66 43.98 1g3i h LEU 285 CO -0.66 -0.03 -0.47 0.58 -1.08 0.00 0.00 178.44 176.78 1g3i h VAL 286 N -0.37 0.07 0.00 1.22 2.07 -0.80 0.14 116.25 118.58 1g3i h VAL 286 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1g3i h VAL 286 Cb 0.15 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1g3i h VAL 286 CO 0.03 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.00 1g3i n GLU 287 N -5.40 0.15 -0.35 1.57 1.02 0.30 -4.88 120.64 113.06 1g3i n GLU 287 Ca -0.01 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1g3i n GLU 287 Cb 0.35 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1g3i n GLU 287 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g3i n GLY 288 N -1.01 -0.43 0.28 0.62 0.00 0.49 -4.92 105.19 100.23 1g3i n GLY 288 Ca -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.13 -4.34 1.61 3.41 -0.88 -4.80 113.62 108.48 1g3i n SER 289 Ca 0.00 -1.14 -0.28 0.00 -0.26 0.00 0.00 58.87 57.19 1g3i n SER 289 Cb 0.00 0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.64 2.05 -0.00 6.66 2.01 -1.26 -0.51 115.64 121.94 1g3i s THR 290 Ca 0.02 -1.59 0.00 0.00 0.31 0.00 0.00 61.69 60.44 1g3i s THR 290 Cb -0.00 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1g3i s THR 290 CO 0.01 0.11 -0.01 0.68 -0.69 0.00 0.00 174.62 174.73 1g3i s VAL 291 N -1.01 0.11 -0.14 3.82 -7.23 -0.47 -4.97 120.40 110.51 1g3i s VAL 291 Ca 0.11 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.96 1g3i s VAL 291 Cb -0.10 -0.12 -0.01 0.00 0.56 0.00 0.00 36.38 36.71 1g3i s VAL 291 CO 0.04 0.05 1.00 -0.55 -0.31 0.00 0.00 175.10 175.33 1g3i s SER 292 N 0.13 7.19 0.24 4.85 0.15 -1.26 -2.52 113.70 122.48 1g3i s SER 292 Ca -0.01 1.47 0.10 0.00 0.70 0.00 0.00 55.95 58.21 1g3i s SER 292 Cb -0.03 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1g3i s SER 292 CO -0.00 -0.49 -0.09 0.42 1.20 0.00 0.00 173.24 174.28 1g3i s THR 293 N 2.26 3.08 -2.00 6.45 -4.23 0.27 -4.95 115.64 116.52 1g3i s THR 293 Ca 0.47 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1g3i s THR 293 Cb -0.17 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.08 1g3i s THR 293 CO 0.15 -0.30 0.17 2.29 -0.54 0.00 0.00 174.62 176.40 1g3i n LYS 294 N -0.52 0.12 0.00 3.99 2.85 -1.26 -0.26 118.16 123.09 1g3i n LYS 294 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1g3i n LYS 294 Cb 0.58 -1.04 0.00 0.00 -0.65 0.00 0.00 35.03 33.92 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 -0.54 0.00 0.00 5.58 8.25 -1.26 -5.12 115.22 122.13 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 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.60 0.86 3.68 -1.41 0.00 0.64 -4.77 105.19 104.79 1g3i n GLY 296 Ca 0.00 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.43 4.14 0.10 1.61 -1.94 -1.26 -0.57 119.30 119.95 1g3i s MET 297 Ca 0.00 -0.03 0.09 0.00 -1.71 0.00 0.00 55.69 54.04 1g3i s MET 297 Cb 0.00 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 1g3i s MET 297 CO 0.00 0.06 -0.23 0.14 -0.01 0.00 0.00 175.02 174.98 1g3i s VAL 298 N 1.04 2.49 -0.23 -6.03 -7.23 -1.05 -4.98 120.40 104.40 1g3i s VAL 298 Ca 0.13 -1.52 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 1g3i s VAL 298 Cb -0.14 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 1g3i s VAL 298 CO 0.05 0.19 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.47 1g3i s LYS 299 N -1.82 3.35 0.00 4.82 1.02 -1.26 -1.37 119.74 124.47 1g3i s LYS 299 Ca 0.15 -0.65 0.11 0.00 0.02 0.00 0.00 55.97 55.60 1g3i s LYS 299 Cb -0.10 -3.09 0.58 0.00 -0.52 0.00 0.00 37.83 34.69 1g3i s LYS 299 CO 0.06 -0.24 1.23 0.25 -0.92 0.00 0.00 175.35 175.73 1g3i n THR 300 N 4.81 0.61 -0.31 2.17 -2.24 0.33 -3.86 114.28 115.80 1g3i n THR 300 Ca -0.17 0.15 0.03 0.00 -2.27 0.00 0.00 64.05 61.78 1g3i n THR 300 Cb 0.50 -0.97 0.10 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.88 -0.53 3.42 5.19 -1.80 -2.46 116.42 119.36 1g3i h ASP 301 Ca 0.00 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1g3i h ASP 301 Cb 0.09 0.56 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1g3i h ASP 301 CO 0.00 -0.29 0.00 1.41 -3.12 0.00 0.00 179.24 177.24 1g3i n HIS 302 N -5.54 0.91 -2.21 4.55 8.25 -1.25 -4.70 115.22 115.22 1g3i n HIS 302 Ca 0.12 -0.56 -0.40 0.00 -0.26 0.00 0.00 57.72 56.62 1g3i n HIS 302 Cb 0.43 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 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 -1.37 2.93 -0.15 1.59 -1.09 -0.93 -4.72 121.20 117.46 1g3i s ILE 303 Ca 0.40 0.92 -0.20 0.00 -2.23 0.00 0.00 60.65 59.54 1g3i s ILE 303 Cb 0.23 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 1g3i s ILE 303 CO 0.23 0.21 0.57 -0.22 -1.23 0.00 0.00 174.94 174.50 1g3i s LEU 304 N -1.76 4.22 -0.15 2.97 2.96 0.55 -4.83 118.68 122.63 1g3i s LEU 304 Ca 0.48 0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 55.21 1g3i s LEU 304 Cb -0.37 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 1g3i s LEU 304 CO 0.49 -0.14 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.99 1g3i s PHE 305 N 1.26 3.03 -0.21 5.38 0.40 -1.26 -0.79 117.98 125.79 1g3i s PHE 305 Ca 0.28 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 1g3i s PHE 305 Cb -0.16 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.46 1g3i s PHE 305 CO 0.11 -0.01 -0.16 0.42 0.70 0.00 0.00 175.22 176.28 1g3i s ILE 306 N 0.30 2.07 0.05 0.64 1.01 0.13 -1.13 121.20 124.27 1g3i s ILE 306 Ca -0.03 -1.18 0.01 0.00 0.00 0.00 0.00 60.65 59.45 1g3i s ILE 306 Cb -0.14 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1g3i s ILE 306 CO 0.03 0.32 0.11 0.00 0.00 0.00 0.00 174.94 175.40 1g3i s ALA 307 N 1.23 3.68 0.07 9.38 0.00 0.28 -0.57 121.76 135.83 1g3i s ALA 307 Ca -0.00 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1g3i s ALA 307 Cb -0.16 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1g3i s ALA 307 CO -0.10 0.75 -0.06 -1.54 0.00 0.00 0.00 175.76 174.81 1g3i s SER 308 N -2.20 0.86 -0.28 0.00 1.04 -0.64 -0.03 113.70 112.45 1g3i s SER 308 Ca 0.28 -0.91 -0.33 0.00 0.48 0.00 0.00 55.95 55.47 1g3i s SER 308 Cb -0.12 0.12 0.17 0.00 0.10 0.00 0.00 66.02 66.29 1g3i s SER 308 CO 0.21 -0.45 1.36 -0.83 0.98 0.00 0.00 173.24 174.50 1g3i s GLY 309 N -2.70 -0.06 -0.09 7.32 0.00 -0.94 -1.49 107.32 109.37 1g3i s GLY 309 Ca 0.06 2.37 -0.26 0.00 0.00 0.00 0.00 44.72 46.89 1g3i s GLY 309 CO -0.05 0.88 0.87 0.00 0.00 0.00 0.00 173.10 174.79 1g3i h ALA 310 N 2.03 -0.02 -5.03 3.20 0.00 -1.88 -1.78 119.26 115.78 1g3i h ALA 310 Ca -0.06 -0.55 -0.26 0.00 0.00 0.00 0.00 54.91 54.05 1g3i h ALA 310 Cb 1.16 0.03 0.15 0.00 0.00 0.00 0.00 17.79 19.13 1g3i h ALA 310 CO 0.21 0.12 -0.65 1.19 0.00 0.00 0.00 179.25 180.11 1g3i n PHE 311 N -4.45 -1.86 0.07 0.00 3.72 -1.26 -4.21 117.46 109.46 1g3i n PHE 311 Ca -0.11 0.77 0.01 0.00 -0.05 0.00 0.00 57.45 58.07 1g3i n PHE 311 Cb 0.58 -4.44 -0.05 0.00 -0.94 0.00 0.00 39.48 34.64 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 -1.45 0.00 0.00 -1.08 3.07 -1.94 -3.39 115.11 110.31 1g3i h GLN 312 Ca -0.49 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 57.98 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 0.37 -1.97 1.33 0.09 0.00 0.00 178.83 179.05 1g3i n VAL 313 N -3.00 0.97 -3.96 1.86 0.24 -1.26 -5.02 118.33 108.16 1g3i n VAL 313 Ca -0.05 -0.33 -0.24 0.00 -2.04 0.00 0.00 64.34 61.68 1g3i n VAL 313 Cb 0.80 -1.32 -0.03 0.00 -1.47 0.00 0.00 33.84 31.83 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 -2.33 3.94 0.12 2.33 0.00 -1.26 -5.11 121.76 119.44 1g3i s ALA 314 Ca -0.23 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.62 1g3i s ALA 314 Cb 0.07 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1g3i s ALA 314 CO 0.36 0.41 0.24 1.03 0.00 0.00 0.00 175.76 177.81 1g3i s ARG 315 N -3.54 3.39 0.49 0.00 0.52 -1.26 -4.56 118.95 113.98 1g3i s ARG 315 Ca 0.34 -0.56 0.19 0.00 -0.52 0.00 0.00 55.73 55.18 1g3i s ARG 315 Cb -0.10 -2.97 1.20 0.00 0.52 0.00 0.00 34.95 33.61 1g3i s ARG 315 CO 0.29 0.55 2.05 -1.35 0.02 0.00 0.00 175.30 176.86 1g3i h PRO 316 N 2.52 0.00 -0.53 3.54 0.11 -2.00 -0.63 132.00 135.01 1g3i h PRO 316 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1g3i h PRO 316 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1g3i h PRO 316 CO 0.71 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.50 1g3i n SER 317 N -4.18 0.41 -0.12 -2.05 3.41 -1.26 -0.89 113.62 108.94 1g3i n SER 317 Ca -0.02 -0.62 0.02 0.00 -0.26 0.00 0.00 58.87 57.98 1g3i n SER 317 Cb 0.21 -0.15 0.01 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 0.43 1.11 -4.69 4.04 9.92 -0.25 -5.01 116.55 122.10 1g3i n ASP 318 Ca 0.00 -1.06 -0.28 0.00 -0.53 0.00 0.00 54.79 52.92 1g3i n ASP 318 Cb 0.09 0.16 0.11 0.00 -0.64 0.00 0.00 41.12 40.84 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 -0.58 2.66 0.27 0.64 1.43 -0.07 -4.32 118.68 118.71 1g3i s LEU 319 Ca 0.04 0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 53.35 1g3i s LEU 319 Cb 0.03 -2.91 -0.10 0.00 0.03 0.00 0.00 46.19 43.25 1g3i s LEU 319 CO 0.06 -2.05 1.26 0.27 0.23 0.00 0.00 176.35 176.11 1g3i s ILE 320 N -3.56 3.09 0.23 -0.59 -4.36 -1.26 -4.74 121.20 110.00 1g3i s ILE 320 Ca 0.65 1.01 -0.09 0.00 -0.26 0.00 0.00 60.65 61.95 1g3i s ILE 320 Cb -0.09 -3.64 0.23 0.00 1.25 0.00 0.00 42.46 40.21 1g3i s ILE 320 CO 0.49 0.21 1.65 -0.65 0.24 0.00 0.00 174.94 176.87 1g3i h PRO 321 N 4.26 0.10 -0.92 0.37 0.11 -1.96 0.25 132.00 134.21 1g3i h PRO 321 Ca -0.47 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.80 1g3i h PRO 321 Cb 1.22 -0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.14 1g3i h PRO 321 CO 0.70 0.07 -0.30 0.93 -0.21 0.00 0.00 178.00 179.19 1g3i h GLU 322 N 0.11 -0.02 0.01 1.05 3.07 -2.01 -1.56 114.58 115.23 1g3i h GLU 322 Ca 0.36 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.17 1g3i h GLU 322 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1g3i h GLU 322 CO -0.59 -0.01 -0.21 1.25 -1.40 0.00 0.00 179.01 178.05 1g3i h LEU 323 N -0.02 0.16 -0.69 1.33 5.85 -1.53 -3.29 115.31 117.13 1g3i h LEU 323 Ca 0.39 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1g3i h LEU 323 Cb 0.64 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1g3i h LEU 323 CO -0.95 0.97 0.59 -0.61 -0.34 0.00 0.00 178.44 178.11 1g3i h GLN 324 N -0.63 0.00 0.00 1.25 4.15 0.40 1.62 115.11 121.91 1g3i h GLN 324 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1g3i h GLN 324 Cb 1.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1g3i h GLN 324 CO 0.04 0.00 -0.68 0.41 -1.93 0.00 0.00 178.83 176.67 1g3i n GLY 325 N -1.31 -0.27 0.72 2.39 0.00 -0.89 -4.05 105.19 101.79 1g3i n GLY 325 Ca -0.01 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.35 1.98 -3.64 1.61 5.12 0.55 -4.18 116.66 116.74 1g3i n ARG 326 Ca 0.02 -1.44 -0.27 0.00 -1.93 0.00 0.00 57.85 54.23 1g3i n ARG 326 Cb 0.21 -1.46 -0.10 0.00 -1.16 0.00 0.00 32.46 29.96 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 0.70 2.99 0.29 0.55 4.77 -0.83 -4.37 117.00 121.11 1g3i n LEU 327 Ca 0.17 -5.24 -0.16 0.00 -0.03 0.00 0.00 56.01 50.76 1g3i n LEU 327 Cb 0.45 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 1g3i n LEU 327 CO 0.15 1.90 0.59 -0.65 -1.33 0.00 0.00 177.39 178.05 1g3i h PRO 328 N 4.83 -0.71 -6.65 3.23 0.11 -1.72 -3.43 132.00 127.66 1g3i h PRO 328 Ca 0.17 0.05 -0.56 0.00 0.11 0.00 0.00 66.00 65.77 1g3i h PRO 328 Cb 0.73 0.16 -0.07 0.00 0.11 0.00 0.00 31.00 31.93 1g3i h PRO 328 CO 0.74 -0.42 0.95 0.42 -0.21 0.00 0.00 178.00 179.48 1g3i s ILE 329 N -5.45 4.17 -0.15 4.15 1.01 -1.14 -5.02 121.20 118.78 1g3i s ILE 329 Ca -0.16 1.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.65 1g3i s ILE 329 Cb 0.03 -4.51 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 1g3i s ILE 329 CO 0.57 -0.92 -0.00 -0.13 0.00 0.00 0.00 174.94 174.46 1g3i s ARG 330 N 4.49 3.59 0.02 2.79 1.81 -1.26 -0.94 118.95 129.46 1g3i s ARG 330 Ca 0.50 -0.44 0.02 0.00 -1.72 0.00 0.00 55.73 54.09 1g3i s ARG 330 Cb -0.09 -2.97 -0.02 0.00 -0.45 0.00 0.00 34.95 31.43 1g3i s ARG 330 CO 0.31 0.36 -0.07 0.54 -0.68 0.00 0.00 175.30 175.76 1g3i s VAL 331 N 0.06 0.54 -0.07 3.52 0.11 -0.99 -4.98 120.40 118.59 1g3i s VAL 331 Ca 0.02 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1g3i s VAL 331 Cb -0.13 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1g3i s VAL 331 CO 0.02 -0.13 -0.12 -0.70 -3.33 0.00 0.00 175.10 170.84 1g3i s GLU 332 N -0.92 2.79 0.16 1.54 2.12 -1.26 -1.40 118.70 121.73 1g3i s GLU 332 Ca -0.04 -0.65 0.06 0.00 0.36 0.00 0.00 54.97 54.70 1g3i s GLU 332 Cb -0.06 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.78 1g3i s GLU 332 CO 0.00 0.53 0.06 -0.51 -0.54 0.00 0.00 175.26 174.80 1g3i s LEU 333 N -0.48 3.55 0.17 2.70 1.02 -0.34 -4.56 118.68 120.73 1g3i s LEU 333 Ca 0.06 -0.25 0.03 0.00 0.02 0.00 0.00 54.13 54.00 1g3i s LEU 333 Cb -0.12 -2.19 -0.03 0.00 0.02 0.00 0.00 46.19 43.87 1g3i s LEU 333 CO 0.02 0.09 0.28 0.42 0.02 0.00 0.00 176.35 177.18 1g3i s THR 334 N -1.69 5.22 0.60 5.49 -4.23 -1.26 -4.48 115.64 115.30 1g3i s THR 334 Ca 0.29 -0.80 -0.19 0.00 -1.18 0.00 0.00 61.69 59.81 1g3i s THR 334 Cb -0.10 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 1g3i s THR 334 CO 0.21 -0.15 1.27 0.00 -0.54 0.00 0.00 174.62 175.41 1g3i s ALA 335 N -1.80 2.53 0.04 3.99 0.00 -1.26 -4.82 121.76 120.45 1g3i s ALA 335 Ca 0.34 1.16 -0.21 0.00 0.00 0.00 0.00 51.96 53.25 1g3i s ALA 335 Cb -0.10 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 1g3i s ALA 335 CO 0.28 -1.38 0.62 -0.51 0.00 0.00 0.00 175.76 174.77 1g3i s LEU 336 N -4.07 4.47 0.45 0.00 1.02 -1.26 -5.07 118.68 114.22 1g3i s LEU 336 Ca 0.78 1.26 0.08 0.00 0.02 0.00 0.00 54.13 56.28 1g3i s LEU 336 Cb -0.35 -2.97 0.02 0.00 0.02 0.00 0.00 46.19 42.91 1g3i s LEU 336 CO 0.39 0.16 0.59 -0.55 0.02 0.00 0.00 176.35 176.96 1g3i s SER 337 N -0.57 5.49 0.07 2.29 0.15 -1.26 -4.91 113.70 114.96 1g3i s SER 337 Ca 0.31 -0.54 -0.26 0.00 0.70 0.00 0.00 55.95 56.17 1g3i s SER 337 Cb -0.19 -0.46 -0.11 0.00 -1.71 0.00 0.00 66.02 63.55 1g3i s SER 337 CO 0.19 -0.87 1.41 0.00 1.20 0.00 0.00 173.24 175.17 1g3i h ALA 338 N 0.59 -0.91 -0.91 5.45 0.00 -1.96 0.91 119.26 122.42 1g3i h ALA 338 Ca -0.38 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 54.66 1g3i h ALA 338 Cb 1.28 0.75 -0.13 0.00 0.00 0.00 0.00 17.79 19.70 1g3i h ALA 338 CO 0.45 -0.99 0.42 0.00 0.00 0.00 0.00 179.25 179.13 1g3i h ALA 339 N -0.87 1.49 -0.03 0.00 0.00 -1.95 0.29 119.26 118.20 1g3i h ALA 339 Ca -0.01 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1g3i h ALA 339 Cb 0.57 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1g3i h ALA 339 CO -0.18 -0.34 0.01 -0.44 0.00 0.00 0.00 179.25 178.30 1g3i h ASP 340 N 0.42 0.04 -0.59 0.00 3.32 -1.40 -2.79 116.42 115.41 1g3i h ASP 340 Ca 0.57 -0.17 0.12 0.00 0.02 0.00 0.00 57.03 57.57 1g3i h ASP 340 Cb 1.10 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 1g3i h ASP 340 CO -0.53 0.20 0.07 -0.26 -1.72 0.00 0.00 179.24 177.00 1g3i h PHE 341 N -0.12 0.09 -1.26 4.55 0.04 0.43 0.36 116.94 121.02 1g3i h PHE 341 Ca 0.01 0.04 0.37 0.00 2.80 0.00 0.00 57.97 61.18 1g3i h PHE 341 Cb 0.17 0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.32 1g3i h PHE 341 CO -0.02 -0.09 0.91 0.93 -0.60 0.00 0.00 178.31 179.44 1g3i h GLU 342 N 0.19 0.00 0.01 1.51 5.08 -0.71 0.30 114.58 120.96 1g3i h GLU 342 Ca 0.31 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.47 1g3i h GLU 342 Cb 0.49 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1g3i h GLU 342 CO -0.45 0.00 -1.07 0.00 -1.00 0.00 0.00 179.01 176.49 1g3i h ARG 343 N 0.00 0.03 -0.14 2.33 3.08 -0.26 -3.31 114.38 116.11 1g3i h ARG 343 Ca 0.60 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.64 1g3i h ARG 343 Cb 2.41 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 32.47 1g3i h ARG 343 CO -0.01 1.02 0.17 0.82 -1.07 0.00 0.00 179.97 180.91 1g3i h ILE 344 N -0.91 0.41 0.00 2.04 1.08 -0.40 0.27 117.51 120.01 1g3i h ILE 344 Ca -0.29 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.11 1g3i h ILE 344 Cb 1.31 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 1g3i h ILE 344 CO -0.14 0.00 -0.34 0.25 -0.69 0.00 0.00 178.15 177.23 1g3i h LEU 345 N 0.00 0.00 0.00 1.44 5.85 -0.54 -3.41 115.31 118.65 1g3i h LEU 345 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1g3i h LEU 345 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1g3i h LEU 345 CO -0.00 0.34 -0.09 0.35 -0.34 0.00 0.00 178.44 178.70 1g3i n THR 346 N -3.83 0.00 0.07 1.05 -2.24 0.64 -3.44 114.28 106.53 1g3i n THR 346 Ca -0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1g3i n THR 346 Cb 0.41 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.27 -4.58 -0.78 5.08 -0.95 -3.45 114.58 109.63 1g3i h GLU 347 Ca 0.00 0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 57.86 1g3i h GLU 347 Cb 0.03 0.06 0.08 0.00 0.50 0.00 0.00 28.75 29.42 1g3i h GLU 347 CO 0.00 0.00 -0.39 -2.30 -1.00 0.00 0.00 179.01 175.32 1g3i n PRO 348 N -4.95 0.00 -1.75 2.33 -0.02 -1.26 -4.80 135.00 124.55 1g3i n PRO 348 Ca -0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.00 1g3i n PRO 348 Cb 0.20 -0.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.87 1g3i n PRO 348 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1g3i s HIS 349 N -0.74 2.80 -0.93 6.00 3.76 -0.74 -2.37 115.29 123.06 1g3i s HIS 349 Ca 0.49 0.31 -0.04 0.00 -0.15 0.00 0.00 55.06 55.68 1g3i s HIS 349 Cb -0.72 -4.12 -0.05 0.00 1.11 0.00 0.00 32.58 28.80 1g3i s HIS 349 CO 0.43 -4.31 0.80 0.00 -0.85 0.00 0.00 174.74 170.81 1g3i n ALA 350 N 4.27 -2.11 -1.34 -1.40 0.00 -1.26 -4.94 120.51 113.73 1g3i n ALA 350 Ca 0.16 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 1g3i n ALA 350 Cb 0.36 -4.44 0.24 0.00 0.00 0.00 0.00 19.45 15.61 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 -3.51 1.30 0.03 0.00 1.04 -1.00 -4.75 113.70 106.82 1g3i s SER 351 Ca 0.31 0.41 -0.20 0.00 0.48 0.00 0.00 55.95 56.94 1g3i s SER 351 Cb -0.04 -0.50 -0.11 0.00 0.10 0.00 0.00 66.02 65.47 1g3i s SER 351 CO 0.63 -3.87 1.31 -0.07 0.98 0.00 0.00 173.24 172.22 1g3i h LEU 352 N -2.41 -0.63 -0.51 2.42 3.38 -1.79 0.06 115.31 115.83 1g3i h LEU 352 Ca -0.43 0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.66 1g3i h LEU 352 Cb 1.26 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 42.07 1g3i h LEU 352 CO 0.30 -0.44 -0.33 0.71 0.09 0.00 0.00 178.44 178.77 1g3i h THR 353 N -0.73 0.19 -0.96 0.22 1.35 -1.93 0.93 112.91 111.99 1g3i h THR 353 Ca -0.07 0.00 0.26 0.00 -0.55 0.00 0.00 66.41 66.04 1g3i h THR 353 Cb 0.56 0.19 -0.05 0.00 -1.73 0.00 0.00 68.15 67.12 1g3i h THR 353 CO 0.11 0.00 0.66 -0.33 -0.25 0.00 0.00 175.52 175.72 1g3i h GLU 354 N -0.20 0.16 0.10 4.72 5.08 -1.80 0.22 114.58 122.86 1g3i h GLU 354 Ca 0.21 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1g3i h GLU 354 Cb 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1g3i h GLU 354 CO -0.62 0.11 -0.05 1.96 -1.00 0.00 0.00 179.01 179.41 1g3i h GLN 355 N 0.17 -0.13 -0.41 2.33 4.20 0.28 -2.79 115.11 118.76 1g3i h GLN 355 Ca 0.48 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.25 1g3i h GLN 355 Cb 1.61 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.37 1g3i h GLN 355 CO -0.10 0.34 0.14 1.88 -0.67 0.00 0.00 178.83 180.42 1g3i h TYR 356 N -0.92 0.26 -0.19 2.96 -1.99 -0.02 0.27 116.97 117.34 1g3i h TYR 356 Ca -0.01 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.76 1g3i h TYR 356 Cb 0.53 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 39.16 1g3i h TYR 356 CO 0.11 0.10 -0.33 0.87 -0.00 0.00 0.00 178.16 178.91 1g3i h LYS 357 N 0.31 -0.26 -1.04 4.88 1.57 -1.11 0.35 116.57 121.26 1g3i h LYS 357 Ca 0.19 0.02 0.32 0.00 -1.87 0.00 0.00 60.65 59.31 1g3i h LYS 357 Cb 0.18 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.41 1g3i h LYS 357 CO -0.20 -0.18 0.61 0.00 -0.57 0.00 0.00 179.45 179.12 1g3i h ALA 358 N -0.63 2.06 0.10 3.86 0.00 -1.09 0.31 119.26 123.88 1g3i h ALA 358 Ca 0.03 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1g3i h ALA 358 Cb 0.37 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1g3i h ALA 358 CO -0.32 -0.65 -0.05 -0.07 0.00 0.00 0.00 179.25 178.16 1g3i h LEU 359 N 0.32 -0.11 -1.65 0.00 -0.00 0.29 -3.19 115.31 110.96 1g3i h LEU 359 Ca 0.73 -0.46 -0.02 0.00 -0.00 0.00 0.00 57.88 58.12 1g3i h LEU 359 Cb 1.73 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 42.41 1g3i h LEU 359 CO -0.55 0.47 -0.02 0.24 -0.00 0.00 0.00 178.44 178.58 1g3i h MET 360 N -0.77 0.18 -0.76 1.13 2.86 -0.08 -2.18 114.93 115.30 1g3i h MET 360 Ca -0.01 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.69 1g3i h MET 360 Cb 0.57 -0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.08 1g3i h MET 360 CO 0.02 0.23 -0.51 0.00 1.06 0.00 0.00 176.91 177.71 1g3i h ALA 361 N 1.80 -0.44 -0.98 6.32 0.00 -0.80 0.17 119.26 125.32 1g3i h ALA 361 Ca 0.04 0.11 0.31 0.00 0.00 0.00 0.00 54.91 55.38 1g3i h ALA 361 Cb 0.17 1.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.98 1g3i h ALA 361 CO 0.01 -0.90 0.52 1.15 0.00 0.00 0.00 179.25 180.02 1g3i h THR 362 N -0.14 0.31 -0.00 0.00 2.02 -1.40 1.49 112.91 115.18 1g3i h THR 362 Ca 0.17 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1g3i h THR 362 Cb 0.52 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1g3i h THR 362 CO -0.81 0.06 -0.01 -0.62 0.37 0.00 0.00 175.52 174.51 1g3i n GLU 363 N -5.07 0.75 -0.08 6.66 -0.58 0.53 -4.89 120.64 117.95 1g3i n GLU 363 Ca 0.30 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1g3i n GLU 363 Cb 0.93 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 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 1.15 0.78 3.79 0.62 0.00 0.51 -4.38 105.19 107.66 1g3i n GLY 364 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.37 4.43 -0.33 1.61 1.01 -0.98 -2.78 120.40 121.00 1g3i s VAL 365 Ca 0.00 1.57 -0.08 0.00 0.00 0.00 0.00 61.98 63.47 1g3i s VAL 365 Cb 0.00 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1g3i s VAL 365 CO 0.00 0.43 0.13 0.21 0.00 0.00 0.00 175.10 175.87 1g3i s ASN 366 N -1.29 5.37 0.14 3.32 3.84 -1.04 -2.88 114.94 122.41 1g3i s ASN 366 Ca 0.38 -0.84 0.04 0.00 0.21 0.00 0.00 52.86 52.65 1g3i s ASN 366 Cb -0.21 -1.93 -0.04 0.00 -0.55 0.00 0.00 41.25 38.52 1g3i s ASN 366 CO 0.24 -0.27 0.14 -0.51 -2.79 0.00 0.00 177.10 173.92 1g3i s ILE 367 N 1.51 4.59 -0.12 -5.21 2.07 -1.26 -1.37 121.20 121.40 1g3i s ILE 367 Ca 0.02 -0.97 -0.06 0.00 -1.41 0.00 0.00 60.65 58.22 1g3i s ILE 367 Cb -0.18 -3.32 0.05 0.00 0.13 0.00 0.00 42.46 39.14 1g3i s ILE 367 CO 0.04 -0.06 0.28 0.00 -1.91 0.00 0.00 174.94 173.29 1g3i s ALA 368 N -1.68 -0.66 -0.14 1.50 0.00 -0.77 -4.93 121.76 115.08 1g3i s ALA 368 Ca 0.31 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.31 1g3i s ALA 368 Cb -0.11 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1g3i s ALA 368 CO 0.24 -0.21 0.05 -0.06 0.00 0.00 0.00 175.76 175.78 1g3i s PHE 369 N 1.22 3.27 0.25 0.00 0.40 -1.26 -0.81 117.98 121.05 1g3i s PHE 369 Ca -0.09 0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 56.34 1g3i s PHE 369 Cb -0.09 -1.96 -0.06 0.00 0.51 0.00 0.00 43.02 41.41 1g3i s PHE 369 CO -0.09 0.34 0.54 0.95 0.70 0.00 0.00 175.22 177.66 1g3i s THR 370 N -0.25 4.99 0.00 0.64 -4.23 -0.60 -4.93 115.64 111.26 1g3i s THR 370 Ca 0.08 0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 60.83 1g3i s THR 370 Cb -0.12 -3.67 -0.00 0.00 1.34 0.00 0.00 72.50 70.05 1g3i s THR 370 CO 0.02 -0.18 1.01 0.74 -0.54 0.00 0.00 174.62 175.66 1g3i h THR 371 N 1.70 0.00 -1.06 3.99 2.02 -1.98 0.56 112.91 118.13 1g3i h THR 371 Ca -0.47 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.02 1g3i h THR 371 Cb 1.18 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1g3i h THR 371 CO 0.68 0.00 0.99 0.44 0.37 0.00 0.00 175.52 178.00 1g3i h ASP 372 N -0.01 0.00 0.06 4.18 3.32 -1.95 0.28 116.42 122.30 1g3i h ASP 372 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1g3i h ASP 372 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1g3i h ASP 372 CO -0.01 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 177.48 1g3i h ALA 373 N 1.02 -0.08 -0.14 3.45 0.00 -0.19 0.48 119.26 123.80 1g3i h ALA 373 Ca 0.50 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1g3i h ALA 373 Cb 2.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.29 1g3i h ALA 373 CO -0.01 -0.32 0.06 0.28 0.00 0.00 0.00 179.25 179.27 1g3i h VAL 374 N -0.54 1.14 -0.70 0.00 2.07 0.55 0.60 116.25 119.37 1g3i h VAL 374 Ca -0.01 -0.41 0.15 0.00 0.82 0.00 0.00 66.70 67.25 1g3i h VAL 374 Cb 0.47 1.15 -0.12 0.00 -1.52 0.00 0.00 31.29 31.27 1g3i h VAL 374 CO 0.01 0.13 0.00 0.50 0.02 0.00 0.00 177.57 178.24 1g3i h LYS 375 N 0.09 0.11 0.32 1.57 3.64 -0.96 0.26 116.57 121.59 1g3i h LYS 375 Ca 0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1g3i h LYS 375 Cb 0.15 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1g3i h LYS 375 CO -0.00 0.07 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.87 1g3i h LYS 376 N 0.11 -0.41 -0.26 1.90 1.63 0.28 0.17 116.57 119.99 1g3i h LYS 376 Ca 0.38 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.27 1g3i h LYS 376 Cb 0.64 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 32.29 1g3i h LYS 376 CO -0.61 -0.22 -0.30 0.82 -3.45 0.00 0.00 179.45 175.69 1g3i h ILE 377 N -0.51 0.29 0.58 2.00 2.04 0.16 0.89 117.51 122.96 1g3i h ILE 377 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1g3i h ILE 377 Cb 0.38 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1g3i h ILE 377 CO 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 177.94 1g3i h ALA 378 N 0.65 -0.79 -1.03 1.87 0.00 -0.46 -0.08 119.26 119.42 1g3i h ALA 378 Ca 0.14 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.14 1g3i h ALA 378 Cb 0.52 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 1g3i h ALA 378 CO -0.43 -0.94 0.64 1.49 0.00 0.00 0.00 179.25 180.00 1g3i h GLU 379 N -0.79 0.45 -0.09 0.00 4.57 -0.40 -0.08 114.58 118.25 1g3i h GLU 379 Ca -0.08 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1g3i h GLU 379 Cb 0.61 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1g3i h GLU 379 CO 0.12 0.30 0.02 0.00 -1.18 0.00 0.00 179.01 178.27 1g3i h ALA 380 N 1.68 0.11 0.30 2.92 0.00 0.15 0.23 119.26 124.65 1g3i h ALA 380 Ca 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1g3i h ALA 380 Cb 1.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1g3i h ALA 380 CO -0.39 -0.26 -0.22 0.00 0.00 0.00 0.00 179.25 178.38 1g3i h ALA 381 N 0.80 -0.50 -0.39 0.00 0.00 0.73 -2.28 119.26 117.63 1g3i h ALA 381 Ca 0.03 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1g3i h ALA 381 Cb 0.25 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1g3i h ALA 381 CO 0.00 -0.80 0.00 0.35 0.00 0.00 0.00 179.25 178.80 1g3i h PHE 382 N -0.51 -0.02 -0.60 0.00 -0.00 -1.21 -2.30 116.94 112.30 1g3i h PHE 382 Ca -0.02 0.03 0.06 0.00 -0.00 0.00 0.00 57.97 58.03 1g3i h PHE 382 Cb 0.45 0.07 -0.08 0.00 -0.00 0.00 0.00 35.95 36.39 1g3i h PHE 382 CO -0.12 -0.07 -0.40 -0.09 -0.00 0.00 0.00 178.31 177.63 1g3i h ARG 383 N 0.11 -0.05 0.38 1.11 9.65 0.02 -0.85 114.38 124.74 1g3i h ARG 383 Ca 0.19 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 1g3i h ARG 383 Cb 0.27 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1g3i h ARG 383 CO -0.31 -0.03 -0.18 -0.24 2.80 0.00 0.00 179.97 182.00 1g3i h VAL 384 N -0.05 0.63 -0.90 0.20 3.04 -1.25 -1.92 116.25 116.00 1g3i h VAL 384 Ca 0.10 -0.07 0.17 0.00 -1.01 0.00 0.00 66.70 65.88 1g3i h VAL 384 Cb 0.30 0.67 -0.16 0.00 -2.01 0.00 0.00 31.29 30.09 1g3i h VAL 384 CO -0.60 0.01 -0.26 0.59 -1.01 0.00 0.00 177.57 176.31 1g3i n ASN 385 N -5.29 -0.39 -0.23 3.17 4.13 -0.88 0.16 115.26 115.91 1g3i n ASN 385 Ca -0.11 1.55 -0.06 0.00 1.68 0.00 0.00 54.58 57.64 1g3i n ASN 385 Cb 0.23 -0.44 0.04 0.00 -1.54 0.00 0.00 39.78 38.07 1g3i n ASN 385 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1g3i h GLU 386 N 0.00 0.89 0.00 3.52 4.81 -0.71 -2.86 114.58 120.23 1g3i h GLU 386 Ca 0.40 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1g3i h GLU 386 Cb 0.62 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1g3i h GLU 386 CO -0.92 0.65 0.00 0.87 -0.73 0.00 0.00 179.01 178.88 1g3i h LYS 387 N 0.88 0.00 0.00 1.92 1.79 0.23 -3.47 116.57 117.92 1g3i h LYS 387 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 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 -0.04 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.58 1g3i n THR 388 N -2.69 0.00 -2.73 -0.16 -2.24 0.13 -5.07 114.28 101.53 1g3i n THR 388 Ca 0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1g3i n THR 388 Cb 0.36 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 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 4.01 3.47 -0.44 -0.78 2.56 -1.26 -4.89 118.70 121.38 1g3i s GLU 389 Ca 0.00 -1.19 -0.27 0.00 0.00 0.00 0.00 54.97 53.51 1g3i s GLU 389 Cb 0.00 -4.89 -0.07 0.00 2.00 0.00 0.00 34.13 31.17 1g3i s GLU 389 CO 0.00 -1.99 2.38 -1.71 -0.56 0.00 0.00 175.26 173.38 1g3i n ASN 390 N 7.96 2.47 -2.06 -1.70 2.85 -1.16 -4.77 115.26 118.85 1g3i n ASN 390 Ca 0.21 -0.30 -0.14 0.00 -0.11 0.00 0.00 54.58 54.23 1g3i n ASN 390 Cb 0.49 -1.55 0.24 0.00 1.24 0.00 0.00 39.78 40.20 1g3i n ASN 390 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1g3i n ILE 391 N 7.92 3.05 -4.61 -1.44 -5.35 -1.26 -4.82 119.36 112.84 1g3i n ILE 391 Ca 0.36 -1.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.02 1g3i n ILE 391 Cb 0.50 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 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 -0.66 0.96 0.16 3.28 0.00 -1.22 -3.02 105.19 104.70 1g3i n GLY 392 Ca 0.49 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1g3i n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3i h ALA 393 N -0.61 1.00 -0.78 4.61 0.00 -1.45 -2.73 119.26 119.30 1g3i h ALA 393 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1g3i h ALA 393 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1g3i h ALA 393 CO 0.00 0.00 0.51 0.00 0.00 0.00 0.00 179.25 179.76 1g3i h ARG 394 N 0.00 0.74 0.00 0.00 2.47 -1.78 0.23 114.38 116.04 1g3i h ARG 394 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1g3i h ARG 394 Cb 0.34 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1g3i h ARG 394 CO 0.00 0.49 0.25 -2.13 0.56 0.00 0.00 179.97 179.14 1g3i n ARG 395 N -4.49 0.03 -0.08 0.04 3.00 -1.03 -0.70 116.66 113.42 1g3i n ARG 395 Ca 0.12 0.37 -0.15 0.00 -0.00 0.00 0.00 57.85 58.19 1g3i n ARG 395 Cb 0.28 -1.83 -0.12 0.00 0.00 0.00 0.00 32.46 30.79 1g3i n ARG 395 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1g3i h LEU 396 N 0.00 0.00 -0.98 6.15 3.38 -0.79 -1.88 115.31 121.19 1g3i h LEU 396 Ca 0.00 -0.83 0.17 0.00 0.09 0.00 0.00 57.88 57.31 1g3i h LEU 396 Cb 0.50 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 1g3i h LEU 396 CO 0.00 1.06 0.59 0.45 0.09 0.00 0.00 178.44 180.63 1g3i h HIS 397 N -1.00 1.04 0.00 1.13 3.86 -1.03 0.59 115.15 119.74 1g3i h HIS 397 Ca -0.07 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1g3i h HIS 397 Cb 0.99 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1g3i h HIS 397 CO 0.22 0.26 0.00 2.41 0.86 0.00 0.00 177.93 181.68 1g3i n THR 398 N -4.76 0.00 -0.34 2.45 -1.04 -0.76 -1.50 114.28 108.33 1g3i n THR 398 Ca 0.22 1.36 0.18 0.00 -2.04 0.00 0.00 64.05 63.76 1g3i n THR 398 Cb 0.52 -2.32 0.39 0.00 -1.82 0.00 0.00 70.33 67.10 1g3i n THR 398 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1g3i h VAL 399 N 0.00 0.49 0.52 12.58 2.07 -0.89 -0.39 116.25 130.63 1g3i h VAL 399 Ca 0.00 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1g3i h VAL 399 Cb 0.00 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.70 1g3i h VAL 399 CO 0.00 0.09 -0.29 0.24 0.02 0.00 0.00 177.57 177.64 1g3i h MET 400 N 0.51 -0.73 -0.25 1.57 2.86 0.24 -0.98 114.93 118.15 1g3i h MET 400 Ca 0.65 0.05 0.07 0.00 -2.06 0.00 0.00 59.70 58.41 1g3i h MET 400 Cb 1.27 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 1g3i h MET 400 CO -0.51 -0.48 0.19 1.49 1.06 0.00 0.00 176.91 178.66 1g3i h GLU 401 N -0.75 0.00 -0.14 1.72 4.57 -0.01 0.30 114.58 120.26 1g3i h GLU 401 Ca -0.07 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.97 1g3i h GLU 401 Cb 0.60 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1g3i h GLU 401 CO 0.09 0.00 -0.52 -0.09 -1.18 0.00 0.00 179.01 177.31 1g3i h ARG 402 N 0.00 0.39 0.00 1.92 2.43 -0.52 -3.05 114.38 115.55 1g3i h ARG 402 Ca 0.12 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1g3i h ARG 402 Cb 0.49 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1g3i h ARG 402 CO -0.00 0.82 -0.24 1.25 -1.51 0.00 0.00 179.97 180.29 1g3i h LEU 403 N 0.31 0.00 0.00 3.80 6.46 0.78 -3.29 115.31 123.37 1g3i h LEU 403 Ca 0.01 -0.72 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1g3i h LEU 403 Cb 1.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.94 1g3i h LEU 403 CO 0.09 1.00 0.00 0.23 -0.62 0.00 0.00 178.44 179.13 1g3i n MET 404 N -4.61 0.36 0.00 1.25 2.81 0.17 -4.22 117.12 112.88 1g3i n MET 404 Ca -0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1g3i n MET 404 Cb 0.43 -1.06 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 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 -0.04 7.83 -0.08 -1.15 -1.07 116.55 121.47 1g3i n ASP 405 Ca 0.01 0.50 -0.04 0.00 -1.51 0.00 0.00 54.79 53.76 1g3i n ASP 405 Cb 0.01 -0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 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 -0.10 -1.15 -0.67 6.56 -1.87 -1.14 116.57 118.20 1g3i h LYS 406 Ca 0.00 0.01 0.33 0.00 -1.06 0.00 0.00 60.65 59.92 1g3i h LYS 406 Cb 0.00 0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 31.59 1g3i h LYS 406 CO 0.00 -0.06 0.76 0.82 -2.06 0.00 0.00 179.45 178.91 1g3i h ILE 407 N -0.10 0.40 -0.06 1.86 2.04 -1.84 0.13 117.51 119.94 1g3i h ILE 407 Ca 0.02 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1g3i h ILE 407 Cb 0.16 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1g3i h ILE 407 CO -0.17 0.04 -0.21 -1.28 0.00 0.00 0.00 178.15 176.53 1g3i h SER 408 N 0.24 0.09 0.00 1.72 0.87 0.22 0.50 113.55 117.19 1g3i h SER 408 Ca 0.65 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1g3i h SER 408 Cb 1.95 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.88 1g3i h SER 408 CO -0.27 0.31 -0.00 0.15 -0.53 0.00 0.00 176.83 176.49 1g3i h PHE 409 N 0.09 -0.00 -0.02 2.24 3.57 -0.64 -3.37 116.94 118.80 1g3i h PHE 409 Ca 0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1g3i h PHE 409 Cb 0.43 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1g3i h PHE 409 CO 0.00 -0.00 0.04 0.77 -2.23 0.00 0.00 178.31 176.89 1g3i h SER 410 N -0.04 0.00 -1.44 0.41 0.02 -1.58 -3.04 113.55 107.89 1g3i h SER 410 Ca -0.00 0.00 0.44 0.00 -0.84 0.00 0.00 61.79 61.39 1g3i h SER 410 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 1g3i h SER 410 CO 0.00 0.00 0.98 0.00 -1.14 0.00 0.00 176.83 176.67 1g3i h ALA 411 N 1.94 3.05 -0.29 3.77 0.00 -0.15 -1.04 119.26 126.54 1g3i h ALA 411 Ca 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1g3i h ALA 411 Cb 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1g3i h ALA 411 CO -0.00 -1.59 0.17 1.03 0.00 0.00 0.00 179.25 178.86 1g3i h SER 412 N 0.08 0.36 -0.56 0.00 0.87 -1.78 -2.77 113.55 109.75 1g3i h SER 412 Ca 0.79 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.28 1g3i h SER 412 Cb 2.73 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 64.60 1g3i h SER 412 CO -0.23 0.31 0.00 -0.90 -0.53 0.00 0.00 176.83 175.48 1g3i n ASP 413 N -4.84 4.18 -1.69 6.23 3.85 -0.60 -4.25 116.55 119.43 1g3i n ASP 413 Ca -0.02 -2.34 0.08 0.00 -0.71 0.00 0.00 54.79 51.80 1g3i n ASP 413 Cb 0.06 -0.49 0.37 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 0.92 4.17 -1.15 0.11 1.56 -0.49 -5.01 117.12 117.23 1g3i n MET 414 Ca 0.22 -2.87 -0.36 0.00 -0.27 0.00 0.00 57.70 54.43 1g3i n MET 414 Cb 0.76 -2.06 0.01 0.00 2.15 0.00 0.00 33.22 34.08 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 0.84 -3.31 0.00 6.12 2.85 -1.25 -3.06 115.26 117.44 1g3i n ASN 415 Ca 0.26 0.61 0.00 0.00 -0.11 0.00 0.00 54.58 55.34 1g3i n ASN 415 Cb 1.01 -0.78 0.00 0.00 1.24 0.00 0.00 39.78 41.25 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 2.28 1.39 3.10 8.20 0.00 -1.12 -4.94 105.19 114.11 1g3i n GLY 416 Ca 0.07 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.07 -4.33 1.61 6.02 -1.17 -4.50 117.38 114.93 1g3i n GLN 417 Ca 0.00 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.71 1g3i n GLN 417 Cb 0.00 -1.20 -0.17 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.09 1.22 -0.13 5.09 -4.23 -1.26 -2.50 115.64 111.74 1g3i s THR 418 Ca 0.44 -0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 60.36 1g3i s THR 418 Cb -0.19 -1.15 -0.05 0.00 1.34 0.00 0.00 72.50 72.46 1g3i s THR 418 CO 0.79 0.39 0.25 -0.69 -0.54 0.00 0.00 174.62 174.82 1g3i s VAL 419 N 1.08 5.33 -0.76 2.29 1.01 -0.47 -4.97 120.40 123.90 1g3i s VAL 419 Ca -0.06 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 1g3i s VAL 419 Cb -0.14 -3.56 0.19 0.00 0.00 0.00 0.00 36.38 32.87 1g3i s VAL 419 CO -0.02 0.49 0.61 0.21 0.00 0.00 0.00 175.10 176.40 1g3i s ASN 420 N -0.21 5.62 -0.54 3.32 3.84 -1.26 -1.85 114.94 123.86 1g3i s ASN 420 Ca 0.16 -3.31 -0.27 0.00 0.21 0.00 0.00 52.86 49.65 1g3i s ASN 420 Cb -0.13 -1.88 -0.04 0.00 -0.55 0.00 0.00 41.25 38.65 1g3i s ASN 420 CO 0.05 -0.27 2.04 -0.63 -2.79 0.00 0.00 177.10 175.49 1g3i s ILE 421 N -0.73 3.24 0.54 -5.21 1.01 0.01 -4.89 121.20 115.17 1g3i s ILE 421 Ca 0.22 0.16 0.04 0.00 0.00 0.00 0.00 60.65 61.07 1g3i s ILE 421 Cb -0.13 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.78 1g3i s ILE 421 CO -0.08 -0.55 0.27 1.51 0.00 0.00 0.00 174.94 176.08 1g3i s ASP 422 N 9.25 4.45 0.24 3.58 3.84 -1.26 -1.56 116.67 135.22 1g3i s ASP 422 Ca 0.79 -1.42 -0.05 0.00 -0.00 0.00 0.00 52.55 51.87 1g3i s ASP 422 Cb -0.15 0.53 0.46 0.00 -1.38 0.00 0.00 42.92 42.38 1g3i s ASP 422 CO 0.24 -1.05 1.69 0.00 -0.00 0.00 0.00 175.17 176.04 1g3i h ALA 423 N 0.93 0.95 0.45 2.11 0.00 -1.90 -0.69 119.26 121.11 1g3i h ALA 423 Ca -0.39 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1g3i h ALA 423 Cb 1.31 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1g3i h ALA 423 CO 0.63 -0.33 -0.43 0.00 0.00 0.00 0.00 179.25 179.11 1g3i h ALA 424 N 1.61 -0.96 -0.53 0.00 0.00 -1.95 0.16 119.26 117.59 1g3i h ALA 424 Ca 0.41 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1g3i h ALA 424 Cb 0.70 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1g3i h ALA 424 CO -0.51 -1.08 -0.54 -0.92 0.00 0.00 0.00 179.25 176.21 1g3i h TYR 425 N -0.89 -1.66 0.52 0.00 -0.00 -1.50 0.30 116.97 113.74 1g3i h TYR 425 Ca -0.05 0.09 -0.01 0.00 -0.00 0.00 0.00 58.73 58.76 1g3i h TYR 425 Cb 0.78 0.79 -0.02 0.00 -0.00 0.00 0.00 36.73 38.29 1g3i h TYR 425 CO -0.22 -0.43 -0.45 0.28 -0.00 0.00 0.00 178.16 177.34 1g3i h VAL 426 N -0.28 0.10 -0.10 1.81 2.07 -1.25 0.66 116.25 119.26 1g3i h VAL 426 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1g3i h VAL 426 Cb 0.52 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1g3i h VAL 426 CO -0.65 0.00 0.65 0.00 0.02 0.00 0.00 177.57 177.60 1g3i h ALA 427 N -0.72 1.76 -0.22 1.67 0.00 0.00 -1.97 119.26 119.77 1g3i h ALA 427 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1g3i h ALA 427 Cb 0.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1g3i h ALA 427 CO -0.02 -0.70 0.00 -3.47 0.00 0.00 0.00 179.25 175.05 1g3i n ASP 428 N -2.83 0.00 0.21 0.00 -0.08 0.03 -3.94 116.55 109.95 1g3i n ASP 428 Ca 0.01 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 1g3i n ASP 428 Cb 0.71 -0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.71 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 -2.18 0.00 -0.13 -1.67 0.00 0.09 -1.35 120.51 115.27 1g3i n ALA 429 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1g3i n ALA 429 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.94 1.97 0.00 0.00 4.77 -0.79 -4.63 117.00 116.38 1g3i n LEU 430 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1g3i n LEU 430 Cb 0.81 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1g3i n LEU 430 CO 0.00 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1g3i n GLY 431 N 1.34 -0.16 3.53 -0.72 0.00 -0.45 -4.94 105.19 103.79 1g3i n GLY 431 Ca -0.48 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 43.73 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 1.92 0.86 1.61 2.02 -1.26 -4.96 118.70 118.88 1g3i s GLU 432 Ca 0.00 -1.41 -0.11 0.00 0.02 0.00 0.00 54.97 53.46 1g3i s GLU 432 Cb 0.00 -2.04 0.11 0.00 0.10 0.00 0.00 34.13 32.30 1g3i s GLU 432 CO 0.00 0.40 1.09 0.54 0.02 0.00 0.00 175.26 177.32 1g3i s VAL 433 N -1.89 2.87 0.03 2.63 0.11 -1.26 -5.04 120.40 117.84 1g3i s VAL 433 Ca 0.26 0.28 -0.00 0.00 -2.93 0.00 0.00 61.98 59.58 1g3i s VAL 433 Cb -0.08 -2.73 -0.02 0.00 -1.53 0.00 0.00 36.38 32.02 1g3i s VAL 433 CO 0.15 -0.37 -0.03 0.68 -3.33 0.00 0.00 175.10 172.20 1g3i s VAL 434 N -2.89 0.13 0.02 2.04 -7.23 -1.26 -5.10 120.40 106.12 1g3i s VAL 434 Ca 0.63 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 1g3i s VAL 434 Cb -0.18 -0.48 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1g3i s VAL 434 CO 0.57 -0.59 0.00 -0.62 -0.31 0.00 0.00 175.10 174.15 1g3i n GLU 435 N 1.34 -0.50 -2.67 4.82 1.02 -1.26 -4.98 120.64 118.41 1g3i n GLU 435 Ca -0.22 0.36 -0.09 0.00 -0.02 0.00 0.00 57.16 57.19 1g3i n GLU 435 Cb 0.56 -0.84 0.03 0.00 -0.02 0.00 0.00 31.44 31.17 1g3i n GLU 435 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1g3i n ASN 436 N 1.29 1.94 -0.35 1.62 2.85 -1.26 -4.96 115.26 116.39 1g3i n ASN 436 Ca 0.00 -2.65 0.27 0.00 -0.11 0.00 0.00 54.58 52.08 1g3i n ASN 436 Cb 0.00 -0.50 0.56 0.00 1.24 0.00 0.00 39.78 41.08 1g3i n ASN 436 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1g3i h GLU 437 N 2.81 0.29 0.00 1.20 9.09 -1.99 -3.20 114.58 122.78 1g3i h GLU 437 Ca -0.05 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.34 1g3i h GLU 437 Cb 1.20 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1g3i h GLU 437 CO 0.45 0.19 0.00 -0.25 0.05 0.00 0.00 179.01 179.45 1g3i n ASP 438 N -4.60 0.00 0.00 3.06 8.00 -1.26 0.56 116.55 122.30 1g3i n ASP 438 Ca 0.28 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1g3i n ASP 438 Cb 1.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 1g3i n ASP 438 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1g3i n LEU 439 N -3.85 0.00 0.00 0.64 4.77 -1.21 -3.95 117.00 113.39 1g3i n LEU 439 Ca 0.00 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1g3i n LEU 439 Cb 0.00 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1g3i n LEU 439 CO 0.00 -0.28 0.00 -1.54 -1.33 0.00 0.00 177.39 174.24 1g3i n SER 440 N -2.21 0.00 0.00 -1.43 3.41 0.19 -3.17 113.62 110.41 1g3i n SER 440 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1g3i n SER 440 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 -0.05 4.33 5.12 -1.26 -1.88 116.66 122.92 1g3i n ARG 441 Ca 0.00 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.03 1g3i n ARG 441 Cb 0.00 0.00 0.45 0.00 -1.16 0.00 0.00 32.46 31.75 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 0.00 0.13 -4.59 -1.55 3.72 -1.25 -4.91 117.46 109.01 1g3i n PHE 442 Ca 0.00 -0.07 -0.29 0.00 -0.05 0.00 0.00 57.45 57.05 1g3i n PHE 442 Cb 0.00 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 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 -1.87 2.13 0.00 4.37 1.01 -0.79 -5.09 121.20 120.96 1g3i s ILE 443 Ca 0.33 -1.57 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1g3i s ILE 443 Cb 0.18 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1g3i s ILE 443 CO 0.27 0.19 0.33 -0.11 0.00 0.00 0.00 174.94 175.62