#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 0.27 0.52 1.43 2.56 -1.26 -5.14 118.70 117.08 1g3i s GLU 3 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.97 54.75 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 -0.12 0.48 -1.33 -0.56 0.00 0.00 175.26 173.73 1g3i n MET 4 N -0.31 -1.82 -4.29 4.30 2.81 -1.26 -5.08 117.12 111.47 1g3i n MET 4 Ca -0.04 -0.76 -0.15 0.00 -1.81 0.00 0.00 57.70 54.93 1g3i n MET 4 Cb 0.61 -0.69 -0.10 0.00 -0.71 0.00 0.00 33.22 32.32 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 -1.89 0.54 0.00 2.03 -4.23 -1.26 -4.95 115.64 105.88 1g3i s THR 5 Ca 0.31 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1g3i s THR 5 Cb -0.03 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1g3i s THR 5 CO 0.23 -0.13 0.96 -2.65 -0.54 0.00 0.00 174.62 172.50 1g3i n PRO 6 N -0.39 0.00 -0.30 3.99 -0.02 -1.26 0.74 135.00 137.76 1g3i n PRO 6 Ca -0.02 0.91 -0.02 0.00 -2.02 0.00 0.00 63.50 62.36 1g3i n PRO 6 Cb 0.65 -1.46 0.15 0.00 -0.02 0.00 0.00 33.50 32.83 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 1.17 -0.93 -0.52 2.43 -1.97 -2.34 114.38 112.22 1g3i h ARG 7 Ca 0.00 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1g3i h ARG 7 Cb 0.00 -0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 29.24 1g3i h ARG 7 CO 0.00 0.81 0.60 1.49 -1.51 0.00 0.00 179.97 181.36 1g3i h GLU 8 N 1.19 1.01 0.03 0.20 4.81 -1.65 -2.22 114.58 117.95 1g3i h GLU 8 Ca 0.31 -0.06 -0.27 0.00 -0.13 0.00 0.00 59.36 59.21 1g3i h GLU 8 Cb -0.07 -0.23 0.02 0.00 0.63 0.00 0.00 28.75 29.11 1g3i h GLU 8 CO -0.06 0.67 -1.09 0.82 -0.73 0.00 0.00 179.01 178.62 1g3i h ILE 9 N 1.04 1.29 -0.08 2.32 2.04 0.76 -3.12 117.51 121.75 1g3i h ILE 9 Ca 0.41 -2.31 0.03 0.00 1.00 0.00 0.00 64.86 63.99 1g3i h ILE 9 Cb 0.23 2.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 1g3i h ILE 9 CO -0.16 0.71 -0.11 0.58 0.00 0.00 0.00 178.15 179.17 1g3i h VAL 10 N 0.36 0.71 0.00 1.67 2.07 -1.14 0.22 116.25 120.15 1g3i h VAL 10 Ca -0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1g3i h VAL 10 Cb 1.74 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1g3i h VAL 10 CO 0.21 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.60 1g3i n SER 11 N -5.24 0.00 -0.35 0.57 7.64 -0.86 0.10 113.62 115.47 1g3i n SER 11 Ca -0.04 0.99 0.10 0.00 1.01 0.00 0.00 58.87 60.93 1g3i n SER 11 Cb 0.17 -0.49 0.21 0.00 -1.01 0.00 0.00 64.21 63.09 1g3i n SER 11 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1g3i h GLU 12 N 0.00 0.00 -0.65 1.43 4.57 -1.41 0.39 114.58 118.91 1g3i h GLU 12 Ca 0.00 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1g3i h GLU 12 Cb 0.00 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1g3i h GLU 12 CO 0.00 0.00 0.17 -0.07 -1.18 0.00 0.00 179.01 177.93 1g3i h LEU 13 N 0.00 0.95 -2.32 1.64 3.38 0.15 -1.69 115.31 117.42 1g3i h LEU 13 Ca 0.54 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.35 1g3i h LEU 13 Cb 0.98 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1g3i h LEU 13 CO -0.98 0.91 0.11 0.44 0.09 0.00 0.00 178.44 179.01 1g3i h ASP 14 N 0.97 0.00 0.18 -0.43 3.32 0.38 0.08 116.42 120.92 1g3i h ASP 14 Ca 0.21 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1g3i h ASP 14 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1g3i h ASP 14 CO -0.00 0.00 -0.13 1.56 -1.72 0.00 0.00 179.24 178.95 1g3i h GLN 15 N 0.00 0.00 0.00 3.56 4.20 -0.54 -3.31 115.11 119.02 1g3i h GLN 15 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1g3i h GLN 15 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1g3i h GLN 15 CO -0.00 0.13 -0.76 0.72 -0.67 0.00 0.00 178.83 178.25 1g3i n HIS 16 N -4.14 0.00 -4.97 2.96 8.25 -0.12 -2.59 115.22 114.60 1g3i n HIS 16 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 1g3i n HIS 16 Cb 0.21 -0.03 -0.14 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.81 2.77 -0.25 1.59 1.09 -0.39 -4.87 121.20 119.32 1g3i s ILE 17 Ca -0.00 -0.88 -0.13 0.00 -1.10 0.00 0.00 60.65 58.53 1g3i s ILE 17 Cb 0.01 -2.07 -0.04 0.00 -1.06 0.00 0.00 42.46 39.30 1g3i s ILE 17 CO 0.07 0.56 0.30 -0.63 -0.10 0.00 0.00 174.94 175.14 1g3i s ILE 18 N -0.73 5.24 0.00 2.92 -1.09 -1.26 -4.50 121.20 121.78 1g3i s ILE 18 Ca 0.11 0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 1g3i s ILE 18 Cb -0.10 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 1g3i s ILE 18 CO 0.01 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 1g3i n GLY 19 N 4.50 0.25 3.65 6.18 0.00 -1.26 -4.94 105.19 113.56 1g3i n GLY 19 Ca -0.11 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 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 2.82 -1.51 -0.07 1.61 1.13 -1.26 -4.89 117.38 115.21 1g3i n GLN 20 Ca 0.00 0.91 -0.10 0.00 -1.94 0.00 0.00 57.00 55.87 1g3i n GLN 20 Cb 0.00 -2.95 -0.07 0.00 0.11 0.00 0.00 30.24 27.33 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 1.14 0.05 -0.96 -1.58 0.00 -1.92 -3.15 119.26 112.85 1g3i h ALA 21 Ca -0.51 -0.49 0.22 0.00 0.00 0.00 0.00 54.91 54.12 1g3i h ALA 21 Cb 1.33 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 1g3i h ALA 21 CO 0.35 0.21 0.53 -0.44 0.00 0.00 0.00 179.25 179.90 1g3i h ASP 22 N -1.00 0.59 0.54 0.00 3.32 -1.91 0.17 116.42 118.13 1g3i h ASP 22 Ca -0.07 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1g3i h ASP 22 Cb 0.69 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 1g3i h ASP 22 CO -0.04 0.12 -0.30 0.00 -1.72 0.00 0.00 179.24 177.30 1g3i h ALA 23 N 1.69 -0.79 -0.57 3.45 0.00 -1.78 -0.90 119.26 120.36 1g3i h ALA 23 Ca 0.59 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.44 1g3i h ALA 23 Cb 1.05 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 1g3i h ALA 23 CO -0.46 -0.95 0.09 0.87 0.00 0.00 0.00 179.25 178.80 1g3i h LYS 24 N -0.79 0.21 0.20 0.00 1.57 -0.72 -2.02 116.57 115.02 1g3i h LYS 24 Ca -0.07 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1g3i h LYS 24 Cb 0.63 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1g3i h LYS 24 CO 0.09 0.14 -0.25 -0.09 -0.57 0.00 0.00 179.45 178.76 1g3i h ARG 25 N 0.22 -0.49 -0.50 3.15 2.43 -0.80 -0.43 114.38 117.96 1g3i h ARG 25 Ca 0.30 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.57 1g3i h ARG 25 Cb 0.44 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.00 1g3i h ARG 25 CO -0.40 -0.33 -0.48 0.00 -1.51 0.00 0.00 179.97 177.25 1g3i h ALA 26 N 0.17 -0.49 0.00 2.80 0.00 -0.48 0.99 119.26 122.25 1g3i h ALA 26 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1g3i h ALA 26 Cb 0.50 1.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1g3i h ALA 26 CO -0.09 -0.91 -0.08 -0.39 0.00 0.00 0.00 179.25 177.78 1g3i h VAL 27 N -0.29 0.33 0.49 0.00 -1.51 -1.31 -1.26 116.25 112.69 1g3i h VAL 27 Ca 0.14 -0.51 -0.02 0.00 -1.23 0.00 0.00 66.70 65.07 1g3i h VAL 27 Cb 0.57 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1g3i h VAL 27 CO -0.64 0.08 -0.23 0.00 -1.23 0.00 0.00 177.57 175.54 1g3i h ALA 28 N 1.92 -0.77 -0.86 5.19 0.00 0.25 0.49 119.26 125.47 1g3i h ALA 28 Ca -0.00 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 54.94 1g3i h ALA 28 Cb 0.37 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1g3i h ALA 28 CO 0.01 -0.72 0.57 -0.84 0.00 0.00 0.00 179.25 178.26 1g3i h ILE 29 N -0.98 0.74 0.57 0.00 3.07 0.06 0.23 117.51 121.19 1g3i h ILE 29 Ca -0.07 -0.16 -0.03 0.00 1.55 0.00 0.00 64.86 66.16 1g3i h ILE 29 Cb 0.50 0.24 0.01 0.00 -0.27 0.00 0.00 36.82 37.30 1g3i h ILE 29 CO 0.11 0.08 -0.27 0.00 -1.05 0.00 0.00 178.15 177.02 1g3i h ALA 30 N 1.62 -0.77 -0.06 0.16 0.00 -1.03 -0.15 119.26 119.03 1g3i h ALA 30 Ca 0.44 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1g3i h ALA 30 Cb 1.01 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1g3i h ALA 30 CO -0.17 -0.78 0.07 1.25 0.00 0.00 0.00 179.25 179.63 1g3i h LEU 31 N -1.08 0.00 -0.30 0.00 5.85 0.88 -0.71 115.31 119.96 1g3i h LEU 31 Ca -0.08 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.45 1g3i h LEU 31 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1g3i h LEU 31 CO 0.13 0.00 -0.58 -0.09 -0.34 0.00 0.00 178.44 177.56 1g3i h ARG 32 N 0.00 0.84 -0.19 1.25 9.65 -0.01 -2.85 114.38 123.07 1g3i h ARG 32 Ca 0.03 -0.55 0.06 0.00 -1.10 0.00 0.00 59.98 58.41 1g3i h ARG 32 Cb 0.17 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 1g3i h ARG 32 CO -0.00 1.18 0.21 -0.91 2.80 0.00 0.00 179.97 183.25 1g3i h ASN 33 N 0.64 0.00 -0.16 -3.80 2.35 0.55 -0.70 115.58 114.45 1g3i h ASN 33 Ca 0.01 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1g3i h ASN 33 Cb 1.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.54 1g3i h ASN 33 CO 0.13 0.00 0.05 -0.09 -1.65 0.00 0.00 177.43 175.87 1g3i h ARG 34 N 0.00 0.13 -0.48 0.81 9.65 -1.40 -0.85 114.38 122.23 1g3i h ARG 34 Ca 0.09 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.86 1g3i h ARG 34 Cb 0.51 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1g3i h ARG 34 CO -0.00 0.08 -0.11 2.35 2.80 0.00 0.00 179.97 185.10 1g3i h TRP 35 N 0.13 0.97 0.75 2.20 7.01 -1.26 -3.17 115.95 122.58 1g3i h TRP 35 Ca 0.07 -0.19 -0.03 0.00 2.11 0.00 0.00 58.89 60.85 1g3i h TRP 35 Cb 0.04 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.86 1g3i h TRP 35 CO -0.11 0.93 -0.42 0.00 -2.79 0.00 0.00 178.44 176.05 1g3i h ARG 36 N 0.79 -1.04 -7.41 2.65 3.08 -1.10 -3.33 114.38 108.03 1g3i h ARG 36 Ca 0.13 0.07 -0.44 0.00 0.07 0.00 0.00 59.98 59.81 1g3i h ARG 36 Cb 0.62 0.24 0.17 0.00 0.08 0.00 0.00 29.97 31.08 1g3i h ARG 36 CO 0.04 -0.70 0.19 0.50 -1.07 0.00 0.00 179.97 178.94 1g3i s ARG 37 N -6.00 -0.04 -1.75 0.04 3.52 -0.38 -2.65 118.95 111.69 1g3i s ARG 37 Ca -0.18 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 1g3i s ARG 37 Cb 0.03 -1.71 0.00 0.00 -1.56 0.00 0.00 34.95 31.72 1g3i s ARG 37 CO 0.61 -2.99 0.00 -0.12 -0.81 0.00 0.00 175.30 171.99 1g3i n MET 38 N -4.31 -1.30 0.00 5.12 1.56 -1.26 -4.51 117.12 112.43 1g3i n MET 38 Ca 0.08 1.03 0.00 0.00 -0.27 0.00 0.00 57.70 58.54 1g3i n MET 38 Cb 0.58 -5.36 0.00 0.00 2.15 0.00 0.00 33.22 30.59 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 -2.39 2.12 -0.06 -1.08 -4.96 117.38 108.44 1g3i n GLN 39 Ca -0.19 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.56 1g3i n GLN 39 Cb 0.61 -0.02 0.10 0.00 -4.06 0.00 0.00 30.24 26.87 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 2.93 0.07 1.69 1.43 -1.23 -5.09 118.68 118.48 1g3i s LEU 40 Ca 0.00 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 1g3i s LEU 40 Cb 0.00 -2.39 -0.07 0.00 0.03 0.00 0.00 46.19 43.76 1g3i s LEU 40 CO 0.00 -1.87 0.54 -1.10 0.23 0.00 0.00 176.35 174.15 1g3i s GLN 41 N -5.25 4.14 0.00 1.70 -1.52 -1.26 -4.54 119.66 112.92 1g3i s GLN 41 Ca 0.65 0.67 0.00 0.00 -1.95 0.00 0.00 55.36 54.73 1g3i s GLN 41 Cb -0.07 -3.21 0.00 0.00 -0.22 0.00 0.00 33.01 29.52 1g3i s GLN 41 CO 0.45 0.63 0.00 -1.91 -0.25 0.00 0.00 175.29 174.21 1g3i n GLU 42 N 1.64 0.00 0.11 2.91 4.07 -1.26 -0.93 120.64 127.19 1g3i n GLU 42 Ca -0.10 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.87 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 -0.41 0.14 5.31 0.11 -2.01 -3.22 132.00 131.93 1g3i h PRO 43 Ca 0.00 0.03 -0.31 0.00 0.11 0.00 0.00 66.00 65.83 1g3i h PRO 43 Cb 0.00 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1g3i h PRO 43 CO 0.00 -0.27 -1.49 -0.07 -0.21 0.00 0.00 178.00 175.96 1g3i h LEU 44 N -0.42 0.47 -1.68 2.35 3.38 -1.42 -3.07 115.31 114.93 1g3i h LEU 44 Ca 0.02 -0.61 0.28 0.00 0.09 0.00 0.00 57.88 57.67 1g3i h LEU 44 Cb 0.44 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1g3i h LEU 44 CO -0.12 1.50 0.91 -0.09 0.09 0.00 0.00 178.44 180.73 1g3i h ARG 45 N 0.08 0.00 0.00 1.13 2.43 -1.40 0.26 114.38 116.88 1g3i h ARG 45 Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1g3i h ARG 45 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1g3i h ARG 45 CO 0.19 0.00 -1.41 1.58 -1.51 0.00 0.00 179.97 178.81 1g3i n HIS 46 N -3.70 0.00 0.08 2.20 -0.00 -1.22 -4.40 115.22 108.18 1g3i n HIS 46 Ca 0.21 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.31 1g3i n HIS 46 Cb 1.23 -0.23 0.02 0.00 -0.12 0.00 0.00 29.99 30.89 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 0.23 -6.57 1.57 4.39 -0.85 -3.44 114.58 109.91 1g3i h GLU 47 Ca 0.00 -0.23 -0.52 0.00 0.34 0.00 0.00 59.36 58.95 1g3i h GLU 47 Cb 0.47 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1g3i h GLU 47 CO 0.00 0.93 0.34 0.54 -1.16 0.00 0.00 179.01 179.66 1g3i s VAL 48 N -3.35 4.46 0.19 3.13 0.11 -0.93 -5.06 120.40 118.96 1g3i s VAL 48 Ca -0.03 2.03 0.11 0.00 -2.93 0.00 0.00 61.98 61.15 1g3i s VAL 48 Cb 0.10 -4.30 -0.04 0.00 -1.53 0.00 0.00 36.38 30.61 1g3i s VAL 48 CO 0.83 0.35 -0.23 0.42 -3.33 0.00 0.00 175.10 173.14 1g3i s THR 49 N -0.20 2.43 0.76 5.04 -4.23 -1.26 -5.01 115.64 113.17 1g3i s THR 49 Ca 0.45 -2.01 -0.17 0.00 -1.18 0.00 0.00 61.69 58.78 1g3i s THR 49 Cb -0.23 -2.17 -0.11 0.00 1.34 0.00 0.00 72.50 71.32 1g3i s THR 49 CO 0.29 -0.12 -0.17 -2.65 -0.54 0.00 0.00 174.62 171.43 1g3i n PRO 50 N 0.22 0.05 -1.91 3.99 -0.02 -1.26 -4.93 135.00 131.14 1g3i n PRO 50 Ca -0.12 0.03 -0.31 0.00 -2.02 0.00 0.00 63.50 61.08 1g3i n PRO 50 Cb 0.56 -1.26 0.04 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 1.09 3.15 0.00 -0.52 4.76 -1.26 -5.06 118.16 120.33 1g3i n LYS 51 Ca 0.05 -3.88 0.00 0.00 -2.87 0.00 0.00 58.31 51.61 1g3i n LYS 51 Cb 0.51 -2.27 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 -0.68 0.00 -4.41 4.39 4.13 -1.26 -4.03 115.26 113.40 1g3i n ASN 52 Ca 0.50 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 56.44 1g3i n ASN 52 Cb 0.67 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.77 1g3i n ASN 52 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1g3i s ILE 53 N 0.00 2.64 -0.28 2.41 1.01 -0.67 -2.83 121.20 123.49 1g3i s ILE 53 Ca 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1g3i s ILE 53 Cb 0.00 -2.01 0.04 0.00 0.01 0.00 0.00 42.46 40.51 1g3i s ILE 53 CO 0.00 0.55 -0.04 -0.22 0.00 0.00 0.00 174.94 175.23 1g3i s LEU 54 N -0.79 3.57 -0.16 2.97 2.96 -0.52 -0.01 118.68 126.71 1g3i s LEU 54 Ca 0.11 -1.15 -0.15 0.00 -0.22 0.00 0.00 54.13 52.72 1g3i s LEU 54 Cb -0.10 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1g3i s LEU 54 CO 0.01 -0.20 0.36 -0.04 -1.32 0.00 0.00 176.35 175.15 1g3i s MET 55 N 1.25 4.27 -0.08 1.98 -1.94 0.13 -2.16 119.30 122.75 1g3i s MET 55 Ca -0.04 0.20 0.02 0.00 -1.71 0.00 0.00 55.69 54.17 1g3i s MET 55 Cb -0.19 -3.45 -0.02 0.00 2.01 0.00 0.00 34.83 33.19 1g3i s MET 55 CO -0.03 0.17 -0.15 0.42 -0.01 0.00 0.00 175.02 175.42 1g3i s ILE 56 N 0.65 2.95 0.01 2.53 1.09 -0.50 -2.14 121.20 125.79 1g3i s ILE 56 Ca 0.19 -0.73 -0.22 0.00 -1.10 0.00 0.00 60.65 58.79 1g3i s ILE 56 Cb -0.14 -2.18 0.07 0.00 -1.06 0.00 0.00 42.46 39.15 1g3i s ILE 56 CO 0.06 0.56 1.00 0.61 -0.10 0.00 0.00 174.94 177.07 1g3i n GLY 57 N 2.88 0.37 0.41 6.18 0.00 -0.95 -0.40 105.19 113.68 1g3i n GLY 57 Ca -0.18 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.71 0.13 -2.71 1.61 -0.02 -1.26 -3.40 135.00 128.63 1g3i n PRO 58 Ca 0.03 -0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 60.87 1g3i n PRO 58 Cb 0.47 -0.12 -0.06 0.00 -0.02 0.00 0.00 33.50 33.77 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 -0.84 3.99 -0.83 3.45 2.01 -1.26 -4.36 115.64 117.80 1g3i s THR 59 Ca 0.08 1.97 -0.09 0.00 0.31 0.00 0.00 61.69 63.96 1g3i s THR 59 Cb -0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.28 1g3i s THR 59 CO 0.05 0.44 0.54 0.61 -0.69 0.00 0.00 174.62 175.58 1g3i n GLY 60 N 1.36 -1.02 0.07 4.40 0.00 -1.26 -3.71 105.19 105.02 1g3i n GLY 60 Ca -0.01 0.46 0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.04 0.94 0.00 1.61 0.24 -1.26 -1.84 118.33 114.98 1g3i n VAL 61 Ca -0.23 -1.04 0.00 0.00 -2.04 0.00 0.00 64.34 61.03 1g3i n VAL 61 Cb 0.57 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 -0.60 2.00 0.34 7.63 0.00 -1.26 -4.89 105.19 108.41 1g3i n GLY 62 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1g3i n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g3i h LYS 63 N 0.00 0.01 0.22 1.61 1.57 -1.94 -0.44 116.57 117.59 1g3i h LYS 63 Ca 0.00 -0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1g3i h LYS 63 Cb 0.00 -0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.34 1g3i h LYS 63 CO 0.00 0.01 -1.34 1.15 -0.57 0.00 0.00 179.45 178.70 1g3i h THR 64 N 0.01 1.32 0.45 -0.16 2.02 -1.99 -3.19 112.91 111.36 1g3i h THR 64 Ca 0.49 -2.63 -0.01 0.00 0.77 0.00 0.00 66.41 65.03 1g3i h THR 64 Cb 0.83 3.01 -0.02 0.00 -1.74 0.00 0.00 68.15 70.24 1g3i h THR 64 CO -0.94 0.78 -0.37 -0.33 0.37 0.00 0.00 175.52 175.03 1g3i h GLU 65 N 0.09 -0.78 -0.91 6.66 4.39 -1.68 0.58 114.58 122.93 1g3i h GLU 65 Ca -0.23 0.05 0.18 0.00 0.34 0.00 0.00 59.36 59.71 1g3i h GLU 65 Cb 2.05 0.18 -0.17 0.00 -0.10 0.00 0.00 28.75 30.70 1g3i h GLU 65 CO 0.25 -0.52 -0.22 0.82 -1.16 0.00 0.00 179.01 178.19 1g3i h ILE 66 N -0.81 0.09 -0.07 3.13 2.04 -1.27 1.04 117.51 121.66 1g3i h ILE 66 Ca -0.04 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1g3i h ILE 66 Cb 0.70 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1g3i h ILE 66 CO -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 178.15 178.11 1g3i h ALA 67 N 1.91 0.10 -0.87 1.87 0.00 -1.32 0.30 119.26 121.24 1g3i h ALA 67 Ca 0.44 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1g3i h ALA 67 Cb 0.68 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1g3i h ALA 67 CO -0.93 -0.16 0.53 -0.09 0.00 0.00 0.00 179.25 178.60 1g3i h ARG 68 N -0.22 1.17 -0.20 0.00 2.43 0.20 -1.24 114.38 116.52 1g3i h ARG 68 Ca 0.02 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1g3i h ARG 68 Cb 0.45 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1g3i h ARG 68 CO 0.01 0.81 -0.01 0.00 -1.51 0.00 0.00 179.97 179.27 1g3i h ARG 69 N 1.19 0.36 -0.51 0.20 2.47 0.11 -0.35 114.38 117.85 1g3i h ARG 69 Ca 0.31 -0.12 0.10 0.00 -1.26 0.00 0.00 59.98 59.02 1g3i h ARG 69 Cb -0.07 -0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 28.12 1g3i h ARG 69 CO -0.06 0.57 -0.15 1.25 0.56 0.00 0.00 179.97 182.14 1g3i h LEU 70 N 0.12 -0.54 -0.13 3.04 5.85 -0.49 0.47 115.31 123.63 1g3i h LEU 70 Ca 0.06 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1g3i h LEU 70 Cb 0.41 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1g3i h LEU 70 CO 0.01 -0.19 -0.03 0.00 -0.34 0.00 0.00 178.44 177.89 1g3i h ALA 71 N 1.45 0.09 0.12 1.25 0.00 -1.08 -2.37 119.26 118.72 1g3i h ALA 71 Ca 0.25 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1g3i h ALA 71 Cb 0.40 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1g3i h ALA 71 CO -0.54 -0.48 -0.27 -0.22 0.00 0.00 0.00 179.25 177.74 1g3i h LYS 72 N 0.00 -0.46 0.00 0.00 1.63 0.12 0.11 116.57 117.97 1g3i h LYS 72 Ca 0.06 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1g3i h LYS 72 Cb 0.09 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1g3i h LYS 72 CO -0.13 -0.31 0.00 1.47 -3.45 0.00 0.00 179.45 177.03 1g3i n LEU 73 N -5.38 0.56 -0.81 5.20 -0.00 0.13 -0.23 117.00 116.47 1g3i n LEU 73 Ca -0.07 0.68 0.10 0.00 -0.00 0.00 0.00 56.01 56.72 1g3i n LEU 73 Cb 0.29 -0.65 0.10 0.00 -0.00 0.00 0.00 43.42 43.17 1g3i n LEU 73 CO 0.25 -0.66 0.57 0.00 -0.00 0.00 0.00 177.39 177.55 1g3i n ALA 74 N -1.74 2.45 -3.81 1.47 0.00 -0.64 -4.96 120.51 113.27 1g3i n ALA 74 Ca 0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 53.44 52.43 1g3i n ALA 74 Cb 0.15 -0.66 0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 1.10 -3.31 -4.47 0.00 5.15 0.69 -4.95 115.26 109.46 1g3i n ASN 75 Ca 0.12 -1.03 -0.29 0.00 -0.60 0.00 0.00 54.58 52.78 1g3i n ASN 75 Cb 0.49 -3.14 -0.11 0.00 -0.53 0.00 0.00 39.78 36.48 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 -3.65 2.64 -0.03 5.20 0.00 -0.40 -5.04 121.76 120.48 1g3i s ALA 76 Ca 0.30 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 1g3i s ALA 76 Cb -0.11 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.36 1g3i s ALA 76 CO 0.88 0.56 1.66 -2.14 0.00 0.00 0.00 175.76 176.72 1g3i s PRO 77 N -2.23 4.19 0.08 0.00 0.02 -1.20 -4.72 135.00 131.14 1g3i s PRO 77 Ca 0.18 2.22 0.06 0.00 0.02 0.00 0.00 61.00 63.48 1g3i s PRO 77 Cb -0.10 -3.92 -0.03 0.00 0.02 0.00 0.00 34.50 30.47 1g3i s PRO 77 CO 0.10 -0.82 -0.17 0.12 -0.33 0.00 0.00 177.00 175.89 1g3i s PHE 78 N 3.79 1.50 -0.23 6.54 5.36 -1.26 -1.31 117.98 132.37 1g3i s PHE 78 Ca 0.74 -0.42 -0.21 0.00 -0.96 0.00 0.00 56.93 56.08 1g3i s PHE 78 Cb -0.35 -0.84 0.06 0.00 -0.34 0.00 0.00 43.02 41.55 1g3i s PHE 78 CO 0.30 0.11 0.60 -1.50 -1.46 0.00 0.00 175.22 173.28 1g3i s ILE 79 N -1.12 -0.00 0.02 3.12 1.10 -1.04 -4.97 121.20 118.31 1g3i s ILE 79 Ca 0.03 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.22 1g3i s ILE 79 Cb -0.10 -0.84 -0.03 0.00 0.15 0.00 0.00 42.46 41.64 1g3i s ILE 79 CO 0.03 0.00 -0.15 -0.75 -2.11 0.00 0.00 174.94 171.96 1g3i s LYS 80 N 0.35 2.25 -0.04 3.50 2.20 -1.26 -0.15 119.74 126.60 1g3i s LYS 80 Ca -0.00 -0.87 -0.10 0.00 -0.36 0.00 0.00 55.97 54.63 1g3i s LYS 80 Cb -0.04 -2.29 0.02 0.00 -1.51 0.00 0.00 37.83 34.01 1g3i s LYS 80 CO 0.00 0.57 0.24 0.14 -0.36 0.00 0.00 175.35 175.94 1g3i s VAL 81 N -0.91 0.04 0.20 4.02 -7.23 -0.47 -4.95 120.40 111.10 1g3i s VAL 81 Ca 0.15 -0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 59.67 1g3i s VAL 81 Cb -0.11 -0.47 -0.08 0.00 0.56 0.00 0.00 36.38 36.29 1g3i s VAL 81 CO 0.05 -0.19 0.93 -0.70 -0.31 0.00 0.00 175.10 174.88 1g3i s GLU 82 N -0.77 4.79 0.15 4.82 2.56 -1.26 -0.23 118.70 128.77 1g3i s GLU 82 Ca -0.09 1.45 -0.10 0.00 0.00 0.00 0.00 54.97 56.23 1g3i s GLU 82 Cb -0.05 -3.31 -0.00 0.00 2.00 0.00 0.00 34.13 32.77 1g3i s GLU 82 CO 0.02 0.44 1.53 0.00 -0.56 0.00 0.00 175.26 176.69 1g3i h ALA 83 N 4.58 0.66 0.00 6.30 0.00 -1.56 -2.04 119.26 127.19 1g3i h ALA 83 Ca -0.45 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1g3i h ALA 83 Cb 1.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1g3i h ALA 83 CO 0.69 0.67 0.00 0.25 0.00 0.00 0.00 179.25 180.86 1g3i n THR 84 N -4.11 0.99 0.27 0.00 -2.24 -1.26 -2.55 114.28 105.38 1g3i n THR 84 Ca -0.00 0.25 0.17 0.00 -2.27 0.00 0.00 64.05 62.19 1g3i n THR 84 Cb 0.47 -1.04 0.89 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.34 -0.78 3.64 -1.75 -2.21 116.57 115.13 1g3i h LYS 85 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1g3i h LYS 85 Cb 0.18 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1g3i h LYS 85 CO 0.00 0.00 0.01 1.19 -2.27 0.00 0.00 179.45 178.38 1g3i n PHE 86 N -2.72 1.14 0.67 1.91 3.01 -1.06 -4.94 117.46 115.48 1g3i n PHE 86 Ca -0.02 -1.17 0.00 0.00 1.01 0.00 0.00 57.45 57.27 1g3i n PHE 86 Cb 0.15 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.20 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 -0.73 0.45 -2.48 4.37 -1.04 -0.83 -4.81 114.28 109.21 1g3i n THR 87 Ca 0.28 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.87 1g3i n THR 87 Cb 0.99 -0.67 -0.03 0.00 -1.82 0.00 0.00 70.33 68.80 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 -0.10 3.24 0.42 -2.82 2.56 -1.26 -5.10 118.70 115.64 1g3i s GLU 95 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 54.97 55.13 1g3i s GLU 95 Cb 0.00 -4.15 0.91 0.00 2.00 0.00 0.00 34.13 32.89 1g3i s GLU 95 CO 0.00 -2.06 2.07 -0.24 -0.56 0.00 0.00 175.26 174.47 1g3i h VAL 96 N 6.20 1.08 0.00 3.70 3.04 -1.97 -1.13 116.25 127.18 1g3i h VAL 96 Ca -0.27 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1g3i h VAL 96 Cb 1.07 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1g3i h VAL 96 CO 1.23 0.09 0.02 0.44 -1.01 0.00 0.00 177.57 178.34 1g3i h ASP 97 N 0.49 0.00 -0.82 3.17 3.32 -2.02 -1.96 116.42 118.61 1g3i h ASP 97 Ca 0.14 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.25 1g3i h ASP 97 Cb -0.03 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 1g3i h ASP 97 CO -0.03 0.00 0.50 0.77 -1.72 0.00 0.00 179.24 178.76 1g3i h SER 98 N 0.00 0.78 -0.71 6.45 4.64 -1.63 -2.14 113.55 120.93 1g3i h SER 98 Ca 0.00 0.02 0.12 0.00 -0.47 0.00 0.00 61.79 61.46 1g3i h SER 98 Cb 0.04 -0.14 -0.13 0.00 -0.31 0.00 0.00 62.40 61.86 1g3i h SER 98 CO 0.00 0.50 -0.32 0.40 -0.87 0.00 0.00 176.83 176.54 1g3i h ILE 99 N 0.91 0.14 -0.23 0.95 2.04 -1.56 0.82 117.51 120.58 1g3i h ILE 99 Ca 0.36 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.14 1g3i h ILE 99 Cb 0.17 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1g3i h ILE 99 CO -0.17 0.00 -0.19 0.40 0.00 0.00 0.00 178.15 178.19 1g3i h ILE 100 N -0.10 1.24 0.78 -0.67 1.08 -1.60 -1.03 117.51 117.21 1g3i h ILE 100 Ca 0.28 -1.10 -0.04 0.00 -0.39 0.00 0.00 64.86 63.62 1g3i h ILE 100 Cb 0.56 1.27 0.01 0.00 -3.07 0.00 0.00 36.82 35.60 1g3i h ILE 100 CO -0.77 0.35 -0.37 -0.09 -0.69 0.00 0.00 178.15 176.57 1g3i h ARG 101 N 0.38 -1.01 -0.94 2.37 2.43 0.91 -1.13 114.38 117.39 1g3i h ARG 101 Ca 0.06 0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.44 1g3i h ARG 101 Cb 0.55 0.23 -0.08 0.00 -0.42 0.00 0.00 29.97 30.25 1g3i h ARG 101 CO 0.04 -0.65 0.60 -0.44 -1.51 0.00 0.00 179.97 178.00 1g3i h ASP 102 N -1.17 0.75 0.68 -3.80 3.45 0.31 -0.34 116.42 116.30 1g3i h ASP 102 Ca -0.11 0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.37 1g3i h ASP 102 Cb 0.82 -0.10 0.01 0.00 -0.56 0.00 0.00 39.33 39.49 1g3i h ASP 102 CO 0.18 0.37 -0.33 0.25 -1.57 0.00 0.00 179.24 178.14 1g3i h LEU 103 N 0.79 -0.78 -0.68 1.55 5.85 -0.99 -1.04 115.31 120.01 1g3i h LEU 103 Ca 0.48 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.36 1g3i h LEU 103 Cb 0.67 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.80 1g3i h LEU 103 CO -0.24 -0.56 0.13 0.74 -0.34 0.00 0.00 178.44 178.18 1g3i h THR 104 N -0.92 0.54 -0.80 1.05 2.02 0.11 0.16 112.91 115.08 1g3i h THR 104 Ca -0.09 -0.08 0.14 0.00 0.77 0.00 0.00 66.41 67.15 1g3i h THR 104 Cb 0.70 0.28 -0.09 0.00 -1.74 0.00 0.00 68.15 67.30 1g3i h THR 104 CO 0.15 0.04 0.38 0.44 0.37 0.00 0.00 175.52 176.90 1g3i h ASP 105 N 0.24 0.42 0.03 4.18 5.19 -0.69 -0.76 116.42 125.03 1g3i h ASP 105 Ca 0.37 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.88 1g3i h ASP 105 Cb 0.61 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1g3i h ASP 105 CO -0.48 0.17 -0.01 -1.28 -3.12 0.00 0.00 179.24 174.52 1g3i h SER 106 N 0.55 -0.03 -0.64 6.45 0.87 0.60 -2.52 113.55 118.83 1g3i h SER 106 Ca 0.44 -0.16 0.12 0.00 -1.23 0.00 0.00 61.79 60.96 1g3i h SER 106 Cb 0.63 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1g3i h SER 106 CO -0.37 0.14 0.43 0.00 -0.53 0.00 0.00 176.83 176.49 1g3i h ALA 107 N 0.77 2.09 -0.56 6.23 0.00 -0.34 0.14 119.26 127.58 1g3i h ALA 107 Ca -0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1g3i h ALA 107 Cb 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1g3i h ALA 107 CO 0.01 -0.24 0.21 0.52 0.00 0.00 0.00 179.25 179.74 1g3i h MET 108 N 0.37 0.38 -0.21 0.00 2.07 -0.72 0.29 114.93 117.11 1g3i h MET 108 Ca 0.30 -0.02 -0.05 0.00 -2.07 0.00 0.00 59.70 57.86 1g3i h MET 108 Cb 0.67 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.31 1g3i h MET 108 CO -0.08 0.25 -0.06 -0.22 1.07 0.00 0.00 176.91 177.87 1g3i h LYS 109 N 0.39 0.42 -0.51 1.72 3.64 -0.95 -0.63 116.57 120.65 1g3i h LYS 109 Ca 0.28 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1g3i h LYS 109 Cb 0.32 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1g3i h LYS 109 CO -0.28 0.67 0.34 1.25 -2.27 0.00 0.00 179.45 179.16 1g3i h LEU 110 N 0.14 0.53 0.00 5.20 5.85 -0.98 0.17 115.31 126.22 1g3i h LEU 110 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1g3i h LEU 110 Cb 0.52 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1g3i h LEU 110 CO 0.02 0.37 -0.26 0.52 -0.34 0.00 0.00 178.44 178.75 1g3i n VAL 111 N -4.47 0.31 -0.03 1.05 0.31 0.98 -3.62 118.33 112.86 1g3i n VAL 111 Ca 0.05 -0.18 -0.01 0.00 -0.01 0.00 0.00 64.34 64.19 1g3i n VAL 111 Cb 0.12 -0.31 -0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1g3i n VAL 111 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1g3i h ARG 112 N 0.00 0.00 0.00 5.55 9.65 0.51 -3.16 114.38 126.93 1g3i h ARG 112 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1g3i h ARG 112 Cb 0.66 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 1g3i h ARG 112 CO 0.00 0.00 0.76 0.94 2.80 0.00 0.00 179.97 184.47 1g3i n GLN 113 N -3.60 0.02 -0.11 0.20 7.27 0.43 -0.15 117.38 121.45 1g3i n GLN 113 Ca -0.02 0.56 -0.21 0.00 0.07 0.00 0.00 57.00 57.40 1g3i n GLN 113 Cb 0.08 -2.18 -0.07 0.00 2.41 0.00 0.00 30.24 30.48 1g3i n GLN 113 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1g3i n GLN 114 N -1.83 0.50 0.00 3.69 6.02 -1.24 -4.34 117.38 120.18 1g3i n GLN 114 Ca 0.00 0.21 0.02 0.00 -0.01 0.00 0.00 57.00 57.22 1g3i n GLN 114 Cb 0.76 -1.35 0.07 0.00 1.02 0.00 0.00 30.24 30.73 1g3i n GLN 114 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1g3i n GLU 115 N -4.16 0.00 -0.01 -1.09 4.07 0.79 -0.93 120.64 119.31 1g3i n GLU 115 Ca -0.37 0.45 -0.22 0.00 -0.06 0.00 0.00 57.16 56.95 1g3i n GLU 115 Cb 0.73 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 30.47 1g3i n GLU 115 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1g3i n ILE 116 N -1.50 1.75 0.13 6.31 -6.64 -0.46 -3.96 119.36 114.98 1g3i n ILE 116 Ca 0.01 -0.56 0.00 0.00 -1.77 0.00 0.00 62.75 60.43 1g3i n ILE 116 Cb 0.04 -1.79 0.06 0.00 -1.44 0.00 0.00 39.64 36.50 1g3i n ILE 116 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1g3i h ALA 117 N -0.02 0.67 -0.78 -1.28 0.00 -1.58 -2.97 119.26 113.29 1g3i h ALA 117 Ca -0.41 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.02 1g3i h ALA 117 Cb 1.92 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 1g3i h ALA 117 CO 0.04 0.78 0.44 -0.22 0.00 0.00 0.00 179.25 180.29 1g3i h LYS 118 N 0.00 0.73 -4.57 0.00 1.63 -1.20 -3.27 116.57 109.89 1g3i h LYS 118 Ca -0.01 -0.04 -0.72 0.00 -0.85 0.00 0.00 60.65 59.03 1g3i h LYS 118 Cb 1.37 -0.17 -0.21 0.00 -0.60 0.00 0.00 32.23 32.63 1g3i h LYS 118 CO 0.08 0.48 0.13 -0.80 -3.45 0.00 0.00 179.45 175.89 1g3i s ASN 119 N -5.60 6.26 -0.25 4.20 0.01 -1.12 -5.11 114.94 113.33 1g3i s ASN 119 Ca -0.12 -1.63 0.18 0.00 -0.71 0.00 0.00 52.86 50.58 1g3i s ASN 119 Cb 0.18 -2.29 0.43 0.00 0.41 0.00 0.00 41.25 39.99 1g3i s ASN 119 CO 0.78 -1.04 1.27 -1.14 -1.51 0.00 0.00 177.10 175.46 1g3i n ARG 120 N 6.02 1.34 0.00 -0.60 3.00 -1.24 -4.87 116.66 120.31 1g3i n ARG 120 Ca -0.06 -2.36 0.00 0.00 -0.00 0.00 0.00 57.85 55.43 1g3i n ARG 120 Cb 0.43 -0.58 0.00 0.00 0.00 0.00 0.00 32.46 32.31 1g3i n ARG 120 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1g3i n ASN 236 N -0.83 0.00 0.00 6.15 5.15 -1.26 -5.18 115.26 119.29 1g3i n ASN 236 Ca -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 1g3i n ASN 236 Cb 0.85 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.10 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 0.00 0.00 0.00 1.20 -0.02 -1.26 -2.30 135.00 132.62 1g3i n PRO 237 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1g3i n PRO 237 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1g3i n PRO 237 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1g3i n GLU 238 N -1.76 0.00 -0.33 -0.52 -0.58 -1.26 0.28 120.64 116.47 1g3i n GLU 238 Ca 0.00 0.75 0.18 0.00 -0.42 0.00 0.00 57.16 57.67 1g3i n GLU 238 Cb 0.00 -1.14 0.34 0.00 -0.57 0.00 0.00 31.44 30.07 1g3i n GLU 238 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1g3i h GLU 239 N 0.00 0.02 0.00 3.49 4.57 -2.00 -1.98 114.58 118.69 1g3i h GLU 239 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1g3i h GLU 239 Cb 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1g3i h GLU 239 CO 0.00 0.01 0.00 -0.11 -1.18 0.00 0.00 179.01 177.73 1g3i n LEU 240 N -5.43 0.37 -0.26 1.64 7.94 0.14 0.55 117.00 121.96 1g3i n LEU 240 Ca 0.26 0.54 0.13 0.00 -1.11 0.00 0.00 56.01 55.83 1g3i n LEU 240 Cb 0.85 -0.13 0.25 0.00 0.53 0.00 0.00 43.42 44.93 1g3i n LEU 240 CO -0.04 -0.13 0.64 0.29 -1.11 0.00 0.00 177.39 177.04 1g3i n LYS 241 N -0.88 -0.06 0.36 1.96 5.02 -0.76 0.20 118.16 124.00 1g3i n LYS 241 Ca 0.00 1.14 -0.14 0.00 -2.02 0.00 0.00 58.31 57.29 1g3i n LYS 241 Cb 0.00 -1.84 -0.07 0.00 -0.02 0.00 0.00 35.03 33.10 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 -0.89 -0.97 1.97 5.75 -1.38 0.29 115.11 119.88 1g3i h GLN 242 Ca 0.49 0.06 0.26 0.00 -0.15 0.00 0.00 58.65 59.31 1g3i h GLN 242 Cb 1.06 0.20 -0.13 0.00 1.07 0.00 0.00 27.48 29.68 1g3i h GLN 242 CO -0.71 -0.59 0.52 -0.22 -2.65 0.00 0.00 178.83 175.18 1g3i h LYS 243 N -1.05 0.44 0.48 1.69 3.64 0.78 0.37 116.57 122.92 1g3i h LYS 243 Ca -0.09 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1g3i h LYS 243 Cb 0.71 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1g3i h LYS 243 CO 0.15 0.29 -0.23 0.00 -2.27 0.00 0.00 179.45 177.40 1g3i h ALA 244 N 1.76 -0.64 -0.83 5.00 0.00 0.16 -2.91 119.26 121.79 1g3i h ALA 244 Ca 0.64 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 55.60 1g3i h ALA 244 Cb 1.28 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 19.18 1g3i h ALA 244 CO -0.53 -0.83 0.17 0.82 0.00 0.00 0.00 179.25 178.89 1g3i h ILE 245 N -0.70 0.36 -0.25 0.00 2.04 0.19 0.27 117.51 119.41 1g3i h ILE 245 Ca -0.07 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1g3i h ILE 245 Cb 0.52 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1g3i h ILE 245 CO 0.11 0.04 -0.06 0.44 0.00 0.00 0.00 178.15 178.67 1g3i h ASP 246 N 0.20 -0.23 -0.71 1.72 5.19 -1.15 0.94 116.42 122.37 1g3i h ASP 246 Ca 0.50 0.07 0.08 0.00 -0.62 0.00 0.00 57.03 57.06 1g3i h ASP 246 Cb 0.95 0.15 -0.11 0.00 0.18 0.00 0.00 39.33 40.51 1g3i h ASP 246 CO -0.63 -0.08 -0.54 0.00 -3.12 0.00 0.00 179.24 174.86 1g3i h ALA 247 N 1.25 -0.57 0.58 3.45 0.00 -0.28 0.99 119.26 124.68 1g3i h ALA 247 Ca 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1g3i h ALA 247 Cb 0.18 1.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1g3i h ALA 247 CO -0.25 -0.96 -0.42 0.28 0.00 0.00 0.00 179.25 177.89 1g3i h VAL 248 N -0.18 0.00 -1.01 0.00 2.07 -0.99 0.30 116.25 116.44 1g3i h VAL 248 Ca 0.14 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.90 1g3i h VAL 248 Cb 0.51 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.16 1g3i h VAL 248 CO -0.78 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.09 1g3i h GLU 249 N -0.96 0.57 0.00 1.57 5.08 0.10 -2.58 114.58 118.36 1g3i h GLU 249 Ca -0.08 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1g3i h GLU 249 Cb 0.79 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1g3i h GLU 249 CO 0.03 0.38 -0.54 1.96 -1.00 0.00 0.00 179.01 179.84 1g3i h GLN 250 N 0.58 0.00 -2.17 2.33 1.08 0.12 -3.37 115.11 113.69 1g3i h GLN 250 Ca 0.63 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 57.28 1g3i h GLN 250 Cb 1.22 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.24 1g3i h GLN 250 CO -0.45 0.61 -0.84 0.27 -0.95 0.00 0.00 178.83 177.47 1g3i n ASN 251 N -4.58 2.94 -4.80 1.46 6.94 0.10 -4.83 115.26 112.50 1g3i n ASN 251 Ca -0.15 -3.37 -0.33 0.00 -0.02 0.00 0.00 54.58 50.71 1g3i n ASN 251 Cb 0.42 -0.60 -0.07 0.00 -2.36 0.00 0.00 39.78 37.17 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 -2.82 2.03 -0.05 4.83 0.00 -0.97 -3.26 107.32 107.07 1g3i s GLY 252 Ca 0.44 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.38 1g3i s GLY 252 CO -0.10 -0.69 -0.23 -0.42 0.00 0.00 0.00 173.10 171.65 1g3i s ILE 253 N -1.17 2.24 -0.09 0.90 -1.09 -0.43 0.10 121.20 121.67 1g3i s ILE 253 Ca 0.22 -1.01 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1g3i s ILE 253 Cb -0.12 -1.82 0.02 0.00 -1.58 0.00 0.00 42.46 38.96 1g3i s ILE 253 CO 0.13 0.57 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.61 1g3i s VAL 254 N -0.31 1.13 -0.34 2.92 1.01 -0.20 -2.48 120.40 122.12 1g3i s VAL 254 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1g3i s VAL 254 Cb -0.13 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1g3i s VAL 254 CO 0.02 0.37 0.14 0.12 0.00 0.00 0.00 175.10 175.75 1g3i s PHE 255 N 1.04 3.22 -0.34 5.22 5.36 0.79 -0.60 117.98 132.68 1g3i s PHE 255 Ca -0.07 -1.09 -0.17 0.00 -0.96 0.00 0.00 56.93 54.64 1g3i s PHE 255 Cb -0.15 -2.33 -0.01 0.00 -0.34 0.00 0.00 43.02 40.19 1g3i s PHE 255 CO -0.01 -0.64 0.43 0.42 -1.46 0.00 0.00 175.22 173.96 1g3i s ILE 256 N 1.49 5.10 0.33 3.12 1.01 0.61 -1.37 121.20 131.50 1g3i s ILE 256 Ca 0.01 0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.87 1g3i s ILE 256 Cb -0.19 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1g3i s ILE 256 CO 0.04 -0.13 0.57 -0.62 0.00 0.00 0.00 174.94 174.81 1g3i s ASP 257 N 1.73 6.35 -1.35 3.58 2.15 0.68 -1.00 116.67 128.81 1g3i s ASP 257 Ca 0.15 0.60 -0.04 0.00 0.43 0.00 0.00 52.55 53.70 1g3i s ASP 257 Cb -0.16 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1g3i s ASP 257 CO 0.12 -0.28 0.07 -0.62 -0.17 0.00 0.00 175.17 174.29 1g3i n GLU 258 N -1.47 -0.87 0.27 4.34 1.02 -0.62 -1.72 120.64 121.59 1g3i n GLU 258 Ca -0.03 0.07 0.15 0.00 -0.02 0.00 0.00 57.16 57.33 1g3i n GLU 258 Cb 0.55 -3.07 0.68 0.00 -0.02 0.00 0.00 31.44 29.58 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 -1.56 0.24 0.00 -3.67 2.10 -1.43 -1.12 117.51 112.07 1g3i h ILE 259 Ca -0.60 -0.64 0.00 0.00 1.08 0.00 0.00 64.86 64.71 1g3i h ILE 259 Cb 1.25 1.51 0.00 0.00 -1.09 0.00 0.00 36.82 38.49 1g3i h ILE 259 CO 0.62 0.08 0.00 -2.24 -1.08 0.00 0.00 178.15 175.52 1g3i h ASP 260 N 0.00 0.00 0.89 2.19 2.03 -1.86 -1.24 116.42 118.43 1g3i h ASP 260 Ca -0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 1g3i h ASP 260 Cb 0.50 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.98 1g3i h ASP 260 CO 0.01 0.00 -1.06 0.11 -1.03 0.00 0.00 179.24 177.27 1g3i h LYS 261 N 0.00 0.08 -1.01 4.15 1.79 -1.55 -3.08 116.57 116.95 1g3i h LYS 261 Ca 0.00 -0.13 -0.33 0.00 -2.18 0.00 0.00 60.65 58.01 1g3i h LYS 261 Cb 0.16 0.05 -0.19 0.00 -1.58 0.00 0.00 32.23 30.66 1g3i h LYS 261 CO 0.00 1.06 0.42 0.44 -1.08 0.00 0.00 179.45 180.28 1g3i n ILE 262 N -3.41 2.40 -2.45 1.86 -5.35 -0.47 -4.84 119.36 107.10 1g3i n ILE 262 Ca -0.02 -1.22 -0.01 0.00 -0.27 0.00 0.00 62.75 61.22 1g3i n ILE 262 Cb 0.96 -0.68 0.01 0.00 -1.74 0.00 0.00 39.64 38.18 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 -2.41 2.99 0.00 0.00 3.01 -1.26 -4.54 119.74 117.52 1g3i s LYS 264 Ca 0.03 -1.08 0.00 0.00 -1.01 0.00 0.00 55.97 53.91 1g3i s LYS 264 Cb -0.00 -2.66 0.00 0.00 -1.01 0.00 0.00 37.83 34.16 1g3i s LYS 264 CO 0.02 0.20 0.00 0.36 0.51 0.00 0.00 175.35 176.44 1g3i n LYS 265 N -1.42 0.00 0.00 1.68 2.85 -1.26 -4.79 118.16 115.22 1g3i n LYS 265 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1g3i n LYS 265 Cb 0.58 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 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 3.73 2.58 0.00 -1.26 -5.16 105.19 105.08 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 -0.06 4.61 0.00 -1.26 -4.70 120.51 119.10 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 -0.15 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 0.68 0.03 0.00 -0.08 -1.26 -3.71 116.55 112.20 1g3i n ASP 272 Ca 0.00 0.16 0.08 0.00 -1.51 0.00 0.00 54.79 53.52 1g3i n ASP 272 Cb 0.00 0.32 0.35 0.00 2.34 0.00 0.00 41.12 44.13 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 -2.97 0.97 0.18 5.18 0.24 -1.26 -0.82 118.33 119.85 1g3i n VAL 273 Ca -0.28 0.25 0.05 0.00 -2.04 0.00 0.00 64.34 62.32 1g3i n VAL 273 Cb 1.09 -1.04 0.23 0.00 -1.47 0.00 0.00 33.84 32.65 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 -1.94 -2.74 113.55 107.55 1g3i h SER 274 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1g3i h SER 274 Cb 0.27 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 1g3i h SER 274 CO 0.00 0.39 -1.93 0.54 -1.14 0.00 0.00 176.83 174.69 1g3i n ARG 275 N -3.35 0.57 0.00 3.45 1.74 -0.27 -4.01 116.66 114.79 1g3i n ARG 275 Ca 0.01 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1g3i n ARG 275 Cb 0.59 -1.56 0.00 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 -4.34 0.04 -0.12 5.56 2.13 -0.00 0.25 120.64 124.15 1g3i n GLU 276 Ca -0.42 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.23 1g3i n GLU 276 Cb 0.76 -1.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.36 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 -0.40 -0.34 0.33 8.31 0.00 -1.03 -4.13 105.19 107.93 1g3i n GLY 277 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.06 0.96 0.85 1.61 2.07 -0.35 0.29 116.25 121.63 1g3i h VAL 278 Ca -0.54 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1g3i h VAL 278 Cb 1.81 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1g3i h VAL 278 CO -0.10 0.07 -0.42 1.56 0.02 0.00 0.00 177.57 178.70 1g3i h GLN 279 N 0.39 -1.12 -0.88 1.57 4.20 -1.73 0.12 115.11 117.66 1g3i h GLN 279 Ca 0.22 0.08 0.26 0.00 0.06 0.00 0.00 58.65 59.26 1g3i h GLN 279 Cb 0.34 0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1g3i h GLN 279 CO -0.05 -0.75 0.75 0.00 -0.67 0.00 0.00 178.83 178.12 1g3i h ARG 280 N -1.16 0.00 0.00 1.46 2.47 -1.41 0.63 114.38 116.37 1g3i h ARG 280 Ca -0.12 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.44 1g3i h ARG 280 Cb 0.89 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.19 1g3i h ARG 280 CO 0.18 0.00 -0.77 -0.44 0.56 0.00 0.00 179.97 179.50 1g3i h ASP 281 N 0.00 0.00 0.95 7.04 3.32 0.14 -3.27 116.42 124.59 1g3i h ASP 281 Ca 0.42 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.25 1g3i h ASP 281 Cb 1.92 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.44 1g3i h ASP 281 CO -0.00 0.77 -1.07 -0.07 -1.72 0.00 0.00 179.24 177.15 1g3i h LEU 282 N 0.00 0.00 -0.20 1.55 3.38 0.22 -3.40 115.31 116.86 1g3i h LEU 282 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1g3i h LEU 282 Cb 1.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1g3i h LEU 282 CO 0.10 1.00 -0.12 0.18 0.09 0.00 0.00 178.44 179.69 1g3i n LEU 283 N -3.32 -0.21 -0.35 1.67 4.77 -0.87 -0.24 117.00 118.46 1g3i n LEU 283 Ca -0.02 0.87 0.33 0.00 -0.03 0.00 0.00 56.01 57.16 1g3i n LEU 283 Cb 0.95 -0.30 0.60 0.00 -2.33 0.00 0.00 43.42 42.34 1g3i n LEU 283 CO 0.47 -0.54 1.09 -0.65 -1.33 0.00 0.00 177.39 176.43 1g3i h PRO 284 N 0.00 0.02 0.41 3.23 0.11 -1.80 1.79 132.00 135.76 1g3i h PRO 284 Ca 0.03 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1g3i h PRO 284 Cb 0.08 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1g3i h PRO 284 CO -0.18 0.01 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.35 1g3i h LEU 285 N 0.02 -0.46 0.25 2.35 4.07 -0.88 0.16 115.31 120.81 1g3i h LEU 285 Ca 0.85 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.83 1g3i h LEU 285 Cb 2.32 0.12 -0.04 0.00 1.08 0.00 0.00 40.66 44.14 1g3i h LEU 285 CO -0.71 -0.12 -0.44 0.58 -1.08 0.00 0.00 178.44 176.67 1g3i h VAL 286 N -0.97 0.13 -0.07 1.22 2.07 -0.31 -1.74 116.25 116.57 1g3i h VAL 286 Ca -0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1g3i h VAL 286 Cb 0.42 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1g3i h VAL 286 CO 0.09 0.00 0.13 -0.33 0.02 0.00 0.00 177.57 177.49 1g3i h GLU 287 N -0.76 0.00 -0.25 1.57 5.08 0.25 -3.46 114.58 117.01 1g3i h GLU 287 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1g3i h GLU 287 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1g3i h GLU 287 CO -0.18 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.24 1g3i n GLY 288 N -1.27 0.34 0.00 -3.84 0.00 0.49 -4.89 105.19 96.02 1g3i n GLY 288 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -4.17 1.61 3.41 -0.75 -4.79 113.62 108.93 1g3i n SER 289 Ca 0.00 -0.06 -0.22 0.00 -0.26 0.00 0.00 58.87 58.33 1g3i n SER 289 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 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 -2.66 1.26 0.02 6.66 2.01 -1.26 -1.30 115.64 120.36 1g3i s THR 290 Ca 0.00 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 61.00 1g3i s THR 290 Cb 0.00 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 1g3i s THR 290 CO 0.00 0.09 -0.07 0.68 -0.69 0.00 0.00 174.62 174.63 1g3i s VAL 291 N -0.79 0.51 -0.13 3.82 -7.23 -0.72 -4.99 120.40 110.87 1g3i s VAL 291 Ca 0.03 -0.65 -0.23 0.00 -1.81 0.00 0.00 61.98 59.32 1g3i s VAL 291 Cb -0.08 -0.50 -0.03 0.00 0.56 0.00 0.00 36.38 36.33 1g3i s VAL 291 CO 0.01 -0.12 0.72 -0.55 -0.31 0.00 0.00 175.10 174.86 1g3i s SER 292 N -0.84 6.91 0.21 4.85 0.15 -1.26 -2.14 113.70 121.58 1g3i s SER 292 Ca -0.04 1.10 0.11 0.00 0.70 0.00 0.00 55.95 57.82 1g3i s SER 292 Cb -0.06 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1g3i s SER 292 CO 0.00 -0.23 -0.16 0.42 1.20 0.00 0.00 173.24 174.47 1g3i s THR 293 N 1.44 2.76 -1.86 6.45 -4.23 0.69 -4.90 115.64 115.99 1g3i s THR 293 Ca 0.36 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1g3i s THR 293 Cb -0.17 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1g3i s THR 293 CO 0.15 -0.20 0.13 2.29 -0.54 0.00 0.00 174.62 176.45 1g3i n LYS 294 N -0.10 0.14 0.00 3.99 2.85 -1.26 -0.03 118.16 123.75 1g3i n LYS 294 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1g3i n LYS 294 Cb 0.57 -1.01 0.00 0.00 -0.65 0.00 0.00 35.03 33.94 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 -0.37 0.00 0.00 5.58 8.25 -1.26 -5.12 115.22 122.30 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 0.68 0.90 3.67 -1.41 0.00 0.96 -4.69 105.19 105.30 1g3i n GLY 296 Ca 0.00 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.61 4.10 0.15 1.61 -1.94 -1.26 -0.22 119.30 120.12 1g3i s MET 297 Ca 0.00 -0.25 0.09 0.00 -1.71 0.00 0.00 55.69 53.82 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 0.11 -0.14 0.14 -0.01 0.00 0.00 175.02 175.12 1g3i s VAL 298 N 0.92 3.00 -0.19 -6.03 -7.23 -0.91 -4.98 120.40 104.99 1g3i s VAL 298 Ca 0.08 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1g3i s VAL 298 Cb -0.13 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1g3i s VAL 298 CO 0.03 -0.01 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.13 1g3i s LYS 299 N -2.51 3.18 0.00 4.82 1.02 -1.26 -1.76 119.74 123.23 1g3i s LYS 299 Ca 0.22 -0.74 0.14 0.00 0.02 0.00 0.00 55.97 55.61 1g3i s LYS 299 Cb -0.10 -2.73 0.83 0.00 -0.52 0.00 0.00 37.83 35.31 1g3i s LYS 299 CO 0.13 -0.15 1.32 0.25 -0.92 0.00 0.00 175.35 175.98 1g3i n THR 300 N 4.53 0.18 -0.29 2.17 -2.24 -0.42 -3.85 114.28 114.36 1g3i n THR 300 Ca -0.20 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.75 1g3i n THR 300 Cb 0.51 -0.82 0.28 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.00 -0.17 3.42 5.19 -1.81 -2.80 116.42 120.24 1g3i h ASP 301 Ca 0.00 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1g3i h ASP 301 Cb 0.04 0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1g3i h ASP 301 CO 0.00 -0.15 0.00 1.41 -3.12 0.00 0.00 179.24 177.38 1g3i n HIS 302 N -5.22 0.22 -1.81 4.55 8.25 -1.25 -4.71 115.22 115.25 1g3i n HIS 302 Ca 0.21 -0.24 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 1g3i n HIS 302 Cb 0.66 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.75 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 -0.95 2.13 -0.08 1.59 -1.09 -1.06 -4.74 121.20 116.99 1g3i s ILE 303 Ca 0.18 0.11 -0.24 0.00 -2.23 0.00 0.00 60.65 58.47 1g3i s ILE 303 Cb 0.10 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.88 1g3i s ILE 303 CO 0.15 0.02 0.72 -0.22 -1.23 0.00 0.00 174.94 174.37 1g3i s LEU 304 N -0.75 4.29 -0.09 2.97 2.96 0.11 -4.86 118.68 123.32 1g3i s LEU 304 Ca 0.61 1.18 -0.01 0.00 -0.22 0.00 0.00 54.13 55.69 1g3i s LEU 304 Cb -0.47 -3.10 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1g3i s LEU 304 CO 0.50 -0.16 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.96 1g3i s PHE 305 N 1.03 3.01 -0.12 5.38 0.40 -1.26 -1.03 117.98 125.40 1g3i s PHE 305 Ca 0.37 0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.73 1g3i s PHE 305 Cb -0.18 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.61 1g3i s PHE 305 CO 0.17 0.32 -0.09 0.42 0.70 0.00 0.00 175.22 176.74 1g3i s ILE 306 N -0.66 1.12 -0.01 0.64 1.01 0.24 -1.66 121.20 121.86 1g3i s ILE 306 Ca 0.10 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1g3i s ILE 306 Cb -0.12 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 1g3i s ILE 306 CO 0.02 0.38 -0.06 0.00 0.00 0.00 0.00 174.94 175.28 1g3i s ALA 307 N 1.61 3.04 0.18 9.38 0.00 0.99 -0.29 121.76 136.66 1g3i s ALA 307 Ca 0.04 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.08 1g3i s ALA 307 Cb -0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1g3i s ALA 307 CO -0.08 0.61 -0.13 -1.54 0.00 0.00 0.00 175.76 174.62 1g3i s SER 308 N -1.28 2.26 0.00 0.00 1.04 -0.17 0.17 113.70 115.72 1g3i s SER 308 Ca 0.16 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1g3i s SER 308 Cb -0.11 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1g3i s SER 308 CO 0.06 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1g3i n GLY 309 N -0.21 1.77 0.09 7.32 0.00 -0.91 -1.38 105.19 111.88 1g3i n GLY 309 Ca -0.10 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 0.11 -5.43 4.61 0.00 -1.87 -2.51 119.26 114.16 1g3i h ALA 310 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 1g3i h ALA 310 Cb 0.00 -0.02 0.19 0.00 0.00 0.00 0.00 17.79 17.95 1g3i h ALA 310 CO 0.00 -0.09 -0.81 1.19 0.00 0.00 0.00 179.25 179.54 1g3i n PHE 311 N -4.72 -2.32 0.33 0.00 3.72 -1.26 -4.21 117.46 108.99 1g3i n PHE 311 Ca -0.07 0.86 0.11 0.00 -0.05 0.00 0.00 57.45 58.30 1g3i n PHE 311 Cb 0.29 -4.36 0.01 0.00 -0.94 0.00 0.00 39.48 34.48 1g3i n PHE 311 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1g3i n GLN 312 N -3.44 0.45 -0.03 -1.08 10.64 -1.26 -4.55 117.38 118.11 1g3i n GLN 312 Ca -0.13 0.03 -0.08 0.00 -1.83 0.00 0.00 57.00 54.98 1g3i n GLN 312 Cb 0.63 -1.68 -0.03 0.00 -0.86 0.00 0.00 30.24 28.31 1g3i n GLN 312 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1g3i n VAL 313 N -2.27 0.79 -3.31 -0.39 0.24 -1.26 -5.03 118.33 107.09 1g3i n VAL 313 Ca 0.01 0.01 -0.30 0.00 -2.04 0.00 0.00 64.34 62.02 1g3i n VAL 313 Cb 0.50 -1.70 -0.04 0.00 -1.47 0.00 0.00 33.84 31.13 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 -2.22 3.58 0.39 2.33 0.00 -1.26 -5.09 121.76 119.49 1g3i s ALA 314 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1g3i s ALA 314 Cb 0.04 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 1g3i s ALA 314 CO 0.16 0.28 0.61 1.03 0.00 0.00 0.00 175.76 177.85 1g3i s ARG 315 N -3.40 3.34 0.46 0.00 0.52 -1.26 -4.58 118.95 114.04 1g3i s ARG 315 Ca 0.45 -0.36 0.24 0.00 -0.52 0.00 0.00 55.73 55.55 1g3i s ARG 315 Cb -0.11 -2.61 1.11 0.00 0.52 0.00 0.00 34.95 33.87 1g3i s ARG 315 CO 0.28 -0.03 1.92 -1.35 0.02 0.00 0.00 175.30 176.15 1g3i h PRO 316 N 0.59 0.00 -1.39 3.54 0.11 -1.98 -2.46 132.00 130.40 1g3i h PRO 316 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1g3i h PRO 316 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1g3i h PRO 316 CO 0.60 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.47 1g3i n SER 317 N -3.57 1.34 0.00 -2.05 3.41 -1.26 -1.35 113.62 110.13 1g3i n SER 317 Ca -0.01 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 1g3i n SER 317 Cb 0.35 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.70 0.68 -4.91 4.04 9.92 -0.93 -5.03 116.55 121.03 1g3i n ASP 318 Ca 0.00 -0.96 -0.28 0.00 -0.53 0.00 0.00 54.79 53.02 1g3i n ASP 318 Cb 0.23 0.04 0.04 0.00 -0.64 0.00 0.00 41.12 40.79 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 -0.09 3.05 0.23 0.64 1.43 -0.46 -4.30 118.68 119.18 1g3i s LEU 319 Ca 0.00 0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 53.61 1g3i s LEU 319 Cb 0.00 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 1g3i s LEU 319 CO 0.00 -1.24 1.53 0.27 0.23 0.00 0.00 176.35 177.14 1g3i s ILE 320 N -3.16 2.47 0.26 -0.59 -4.36 -1.26 -4.70 121.20 109.87 1g3i s ILE 320 Ca 0.56 0.37 -0.06 0.00 -0.26 0.00 0.00 60.65 61.26 1g3i s ILE 320 Cb -0.11 -3.24 0.34 0.00 1.25 0.00 0.00 42.46 40.71 1g3i s ILE 320 CO 0.47 0.05 1.60 -0.65 0.24 0.00 0.00 174.94 176.65 1g3i h PRO 321 N 5.69 0.04 -0.78 0.37 0.11 -1.96 0.29 132.00 135.76 1g3i h PRO 321 Ca -0.45 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.84 1g3i h PRO 321 Cb 1.21 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 1g3i h PRO 321 CO 0.84 0.03 -0.05 0.93 -0.21 0.00 0.00 178.00 179.54 1g3i h GLU 322 N 0.04 0.06 0.08 1.05 3.07 -2.00 -1.38 114.58 115.50 1g3i h GLU 322 Ca 0.45 -0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 59.09 1g3i h GLU 322 Cb 0.80 -0.01 0.02 0.00 -0.84 0.00 0.00 28.75 28.72 1g3i h GLU 322 CO -0.80 0.04 -0.90 1.25 -1.40 0.00 0.00 179.01 177.20 1g3i h LEU 323 N 0.07 0.65 -1.70 1.33 5.85 -0.92 -3.25 115.31 117.34 1g3i h LEU 323 Ca 0.42 -0.83 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1g3i h LEU 323 Cb 0.73 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1g3i h LEU 323 CO -0.73 1.42 0.47 -0.61 -0.34 0.00 0.00 178.44 178.65 1g3i h GLN 324 N -0.02 0.00 0.00 1.25 4.15 0.19 0.45 115.11 121.13 1g3i h GLN 324 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1g3i h GLN 324 Cb 1.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.31 1g3i h GLN 324 CO 0.17 0.00 -0.99 0.41 -1.93 0.00 0.00 178.83 176.49 1g3i n GLY 325 N -1.32 -0.88 0.76 2.39 0.00 -0.69 -3.93 105.19 101.52 1g3i n GLY 325 Ca 0.01 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.51 2.05 -3.50 1.61 5.12 0.15 -4.21 116.66 116.37 1g3i n ARG 326 Ca 0.03 -1.53 -0.27 0.00 -1.93 0.00 0.00 57.85 54.16 1g3i n ARG 326 Cb 0.32 -1.47 -0.09 0.00 -1.16 0.00 0.00 32.46 30.07 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 0.83 3.34 0.44 0.55 4.77 -0.85 -4.39 117.00 121.70 1g3i n LEU 327 Ca 0.17 -5.34 -0.18 0.00 -0.03 0.00 0.00 56.01 50.62 1g3i n LEU 327 Cb 0.49 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 1g3i n LEU 327 CO 0.15 2.00 0.52 -0.65 -1.33 0.00 0.00 177.39 178.08 1g3i h PRO 328 N 4.42 -1.07 -6.36 3.23 0.11 -1.73 -3.43 132.00 127.17 1g3i h PRO 328 Ca 0.18 0.07 -0.56 0.00 0.11 0.00 0.00 66.00 65.80 1g3i h PRO 328 Cb 0.70 0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.01 1g3i h PRO 328 CO 0.79 -0.70 1.19 0.42 -0.21 0.00 0.00 178.00 179.48 1g3i s ILE 329 N -5.57 3.65 -0.18 4.15 1.01 -1.13 -4.99 121.20 118.14 1g3i s ILE 329 Ca -0.18 0.64 -0.07 0.00 0.00 0.00 0.00 60.65 61.04 1g3i s ILE 329 Cb 0.02 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1g3i s ILE 329 CO 0.55 -0.66 0.05 -0.13 0.00 0.00 0.00 174.94 174.76 1g3i s ARG 330 N 5.50 3.93 0.00 2.79 1.81 -1.26 -1.43 118.95 130.29 1g3i s ARG 330 Ca 0.69 -0.37 0.02 0.00 -1.72 0.00 0.00 55.73 54.36 1g3i s ARG 330 Cb -0.17 -3.19 -0.01 0.00 -0.45 0.00 0.00 34.95 31.13 1g3i s ARG 330 CO 0.31 0.25 -0.07 0.54 -0.68 0.00 0.00 175.30 175.65 1g3i s VAL 331 N 0.43 0.54 -0.00 3.52 0.11 -0.92 -5.00 120.40 119.08 1g3i s VAL 331 Ca 0.02 -0.38 0.02 0.00 -2.93 0.00 0.00 61.98 58.71 1g3i s VAL 331 Cb -0.13 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1g3i s VAL 331 CO 0.01 0.09 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.17 1g3i s GLU 332 N -0.32 2.77 0.15 1.54 2.12 -1.26 -1.42 118.70 122.28 1g3i s GLU 332 Ca 0.01 -0.62 0.08 0.00 0.36 0.00 0.00 54.97 54.81 1g3i s GLU 332 Cb -0.03 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 1g3i s GLU 332 CO -0.00 0.62 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.72 1g3i s LEU 333 N -1.53 2.94 0.41 2.70 1.02 0.46 -4.46 118.68 120.22 1g3i s LEU 333 Ca 0.19 -0.52 0.07 0.00 0.02 0.00 0.00 54.13 53.89 1g3i s LEU 333 Cb -0.11 -1.69 0.01 0.00 0.02 0.00 0.00 46.19 44.42 1g3i s LEU 333 CO 0.10 0.14 0.57 0.42 0.02 0.00 0.00 176.35 177.59 1g3i s THR 334 N -1.45 3.26 0.65 5.49 -4.23 -1.26 -4.46 115.64 113.63 1g3i s THR 334 Ca 0.22 -0.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.62 1g3i s THR 334 Cb -0.10 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 1g3i s THR 334 CO 0.14 -0.05 1.13 0.00 -0.54 0.00 0.00 174.62 175.30 1g3i s ALA 335 N -2.35 2.47 -0.14 3.99 0.00 -1.26 -4.73 121.76 119.73 1g3i s ALA 335 Ca 0.53 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 1g3i s ALA 335 Cb -0.10 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1g3i s ALA 335 CO 0.33 -1.26 0.38 -0.51 0.00 0.00 0.00 175.76 174.70 1g3i s LEU 336 N -4.69 4.26 0.53 0.00 1.02 -1.26 -5.07 118.68 113.47 1g3i s LEU 336 Ca 0.69 0.65 0.03 0.00 0.02 0.00 0.00 54.13 55.52 1g3i s LEU 336 Cb -0.23 -2.53 0.03 0.00 0.02 0.00 0.00 46.19 43.49 1g3i s LEU 336 CO 0.39 0.05 0.74 -0.55 0.02 0.00 0.00 176.35 177.00 1g3i s SER 337 N 0.56 5.32 0.12 2.29 0.15 -1.26 -4.89 113.70 115.99 1g3i s SER 337 Ca 0.21 -0.11 -0.30 0.00 0.70 0.00 0.00 55.95 56.46 1g3i s SER 337 Cb -0.14 -0.80 -0.08 0.00 -1.71 0.00 0.00 66.02 63.29 1g3i s SER 337 CO 0.07 -1.09 1.59 0.00 1.20 0.00 0.00 173.24 175.01 1g3i h ALA 338 N 0.17 -0.65 -0.65 5.45 0.00 -1.96 0.77 119.26 122.39 1g3i h ALA 338 Ca -0.41 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1g3i h ALA 338 Cb 1.29 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 19.70 1g3i h ALA 338 CO 0.50 -0.94 0.21 0.00 0.00 0.00 0.00 179.25 179.03 1g3i h ALA 339 N -0.01 0.84 -0.11 0.00 0.00 -1.96 -0.52 119.26 117.49 1g3i h ALA 339 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1g3i h ALA 339 Cb 0.64 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1g3i h ALA 339 CO -0.29 -0.24 0.06 -0.44 0.00 0.00 0.00 179.25 178.34 1g3i h ASP 340 N 0.37 0.10 -0.41 0.00 3.32 -1.45 -2.66 116.42 115.68 1g3i h ASP 340 Ca 0.34 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.48 1g3i h ASP 340 Cb 0.49 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.92 1g3i h ASP 340 CO -0.37 0.08 -0.27 -0.26 -1.72 0.00 0.00 179.24 176.70 1g3i h PHE 341 N 0.13 -0.72 -1.46 4.55 0.04 0.20 0.21 116.94 119.89 1g3i h PHE 341 Ca 0.04 0.05 0.48 0.00 2.80 0.00 0.00 57.97 61.34 1g3i h PHE 341 Cb -0.00 0.38 -0.12 0.00 2.20 0.00 0.00 35.95 38.40 1g3i h PHE 341 CO -0.08 -0.34 0.97 0.93 -0.60 0.00 0.00 178.31 179.19 1g3i h GLU 342 N -0.19 0.03 0.07 1.51 5.08 -0.81 0.42 114.58 120.68 1g3i h GLU 342 Ca 0.19 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.34 1g3i h GLU 342 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1g3i h GLU 342 CO -0.52 0.02 -1.05 0.00 -1.00 0.00 0.00 179.01 176.46 1g3i h ARG 343 N 0.03 0.15 0.00 2.33 3.08 -0.98 -3.21 114.38 115.78 1g3i h ARG 343 Ca 0.87 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.65 1g3i h ARG 343 Cb 2.90 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 33.05 1g3i h ARG 343 CO -0.36 1.13 -0.01 0.82 -1.07 0.00 0.00 179.97 180.47 1g3i h ILE 344 N -0.59 0.07 0.00 2.04 1.08 -0.44 0.35 117.51 120.02 1g3i h ILE 344 Ca -0.24 -0.21 -0.12 0.00 -0.39 0.00 0.00 64.86 63.91 1g3i h ILE 344 Cb 1.51 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 36.43 1g3i h ILE 344 CO 0.00 0.01 -0.56 0.25 -0.69 0.00 0.00 178.15 177.16 1g3i h LEU 345 N 0.00 0.00 0.00 1.44 5.85 -0.24 -3.41 115.31 118.95 1g3i h LEU 345 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1g3i h LEU 345 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1g3i h LEU 345 CO 0.00 0.56 -0.29 0.35 -0.34 0.00 0.00 178.44 178.72 1g3i n THR 346 N -3.82 0.00 0.01 1.05 -2.24 -0.08 -3.47 114.28 105.72 1g3i n THR 346 Ca -0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1g3i n THR 346 Cb 0.58 -0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.07 -6.33 -0.78 5.08 -0.65 -3.44 114.58 108.39 1g3i h GLU 347 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1g3i h GLU 347 Cb 0.22 0.02 0.13 0.00 0.50 0.00 0.00 28.75 29.62 1g3i h GLU 347 CO 0.00 0.45 -0.26 -2.30 -1.00 0.00 0.00 179.01 175.90 1g3i n PRO 348 N -4.86 0.72 -1.85 2.33 -0.02 -1.26 -4.84 135.00 125.22 1g3i n PRO 348 Ca -0.09 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1g3i n PRO 348 Cb 0.28 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 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 -1.29 2.39 -0.71 6.00 3.76 -1.07 -2.09 115.29 122.28 1g3i s HIS 349 Ca 0.62 0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 55.75 1g3i s HIS 349 Cb -0.67 -4.04 -0.01 0.00 1.11 0.00 0.00 32.58 28.97 1g3i s HIS 349 CO 0.58 -4.20 0.59 0.00 -0.85 0.00 0.00 174.74 170.87 1g3i n ALA 350 N 5.46 -1.32 -1.16 -1.40 0.00 -1.26 -4.97 120.51 115.85 1g3i n ALA 350 Ca 0.16 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 1g3i n ALA 350 Cb 0.39 -2.09 0.20 0.00 0.00 0.00 0.00 19.45 17.96 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 -3.70 1.95 0.06 0.00 1.04 -0.89 -4.74 113.70 107.42 1g3i s SER 351 Ca 0.06 0.92 -0.30 0.00 0.48 0.00 0.00 55.95 57.11 1g3i s SER 351 Cb -0.01 -1.41 -0.15 0.00 0.10 0.00 0.00 66.02 64.55 1g3i s SER 351 CO 0.44 -3.52 1.46 -0.07 0.98 0.00 0.00 173.24 172.53 1g3i h LEU 352 N -2.16 -1.06 -0.27 2.42 3.38 -1.78 0.11 115.31 115.94 1g3i h LEU 352 Ca -0.51 0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.60 1g3i h LEU 352 Cb 1.32 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 42.32 1g3i h LEU 352 CO 0.49 -0.60 -0.24 0.71 0.09 0.00 0.00 178.44 178.89 1g3i h THR 353 N -0.94 0.38 -1.10 0.22 1.35 -1.93 1.66 112.91 112.56 1g3i h THR 353 Ca -0.08 0.00 0.31 0.00 -0.55 0.00 0.00 66.41 66.09 1g3i h THR 353 Cb 0.77 0.38 -0.11 0.00 -1.73 0.00 0.00 68.15 67.47 1g3i h THR 353 CO 0.04 0.00 0.70 -0.33 -0.25 0.00 0.00 175.52 175.68 1g3i h GLU 354 N -0.23 0.32 -0.05 4.72 5.08 -1.76 -1.16 114.58 121.50 1g3i h GLU 354 Ca 0.15 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1g3i h GLU 354 Cb 0.46 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1g3i h GLU 354 CO -0.41 0.21 -0.10 1.96 -1.00 0.00 0.00 179.01 179.67 1g3i h GLN 355 N 0.33 0.15 -0.42 2.33 4.20 0.51 -2.49 115.11 119.72 1g3i h GLN 355 Ca 0.65 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 59.25 1g3i h GLN 355 Cb 1.74 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.51 1g3i h GLN 355 CO -0.35 0.69 0.20 1.88 -0.67 0.00 0.00 178.83 180.58 1g3i h TYR 356 N -0.36 0.60 -0.08 2.96 -1.99 -0.02 0.56 116.97 118.63 1g3i h TYR 356 Ca 0.00 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.71 1g3i h TYR 356 Cb 0.68 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 1g3i h TYR 356 CO 0.12 0.49 -0.12 0.87 -0.00 0.00 0.00 178.16 179.52 1g3i h LYS 357 N 0.53 -0.09 -1.25 4.88 1.57 -1.29 0.36 116.57 121.28 1g3i h LYS 357 Ca 0.14 0.01 0.40 0.00 -1.87 0.00 0.00 60.65 59.33 1g3i h LYS 357 Cb 0.11 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.32 1g3i h LYS 357 CO -0.02 -0.06 0.80 0.00 -0.57 0.00 0.00 179.45 179.60 1g3i h ALA 358 N -1.05 2.59 0.11 3.86 0.00 -1.15 0.44 119.26 124.06 1g3i h ALA 358 Ca 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1g3i h ALA 358 Cb 0.13 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1g3i h ALA 358 CO -0.13 -1.20 -0.05 -0.07 0.00 0.00 0.00 179.25 177.80 1g3i h LEU 359 N 0.14 -0.13 -1.87 0.00 -0.00 0.17 -3.28 115.31 110.35 1g3i h LEU 359 Ca 0.78 -0.31 0.11 0.00 -0.00 0.00 0.00 57.88 58.46 1g3i h LEU 359 Cb 2.35 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 43.02 1g3i h LEU 359 CO -0.43 0.48 0.34 0.24 -0.00 0.00 0.00 178.44 179.07 1g3i h MET 360 N -0.97 0.14 -0.48 1.13 2.86 0.06 -0.85 114.93 116.82 1g3i h MET 360 Ca -0.02 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.71 1g3i h MET 360 Cb 0.43 -0.03 -0.10 0.00 0.06 0.00 0.00 31.60 31.97 1g3i h MET 360 CO 0.03 0.09 -0.19 0.00 1.06 0.00 0.00 176.91 177.89 1g3i h ALA 361 N 1.76 0.18 -0.96 6.32 0.00 -0.63 -0.98 119.26 124.94 1g3i h ALA 361 Ca 0.23 0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.52 1g3i h ALA 361 Cb 0.72 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 1g3i h ALA 361 CO -0.03 -0.53 0.54 1.15 0.00 0.00 0.00 179.25 180.38 1g3i h THR 362 N -0.09 0.60 0.00 0.00 2.02 -1.21 0.79 112.91 115.03 1g3i h THR 362 Ca 0.23 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1g3i h THR 362 Cb 0.44 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1g3i h THR 362 CO -0.54 0.11 0.00 -0.62 0.37 0.00 0.00 175.52 174.84 1g3i n GLU 363 N -4.87 0.89 0.00 6.66 -0.58 -0.47 -4.86 120.64 117.41 1g3i n GLU 363 Ca 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1g3i n GLU 363 Cb 0.63 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 0.93 0.89 3.74 0.62 0.00 0.27 -4.30 105.19 107.35 1g3i n GLY 364 Ca 0.22 0.00 -0.40 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 -2.23 4.52 -0.22 1.61 1.01 -0.61 -2.56 120.40 121.92 1g3i s VAL 365 Ca 0.00 1.91 -0.09 0.00 0.00 0.00 0.00 61.98 63.79 1g3i s VAL 365 Cb 0.00 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1g3i s VAL 365 CO 0.00 0.37 0.12 0.21 0.00 0.00 0.00 175.10 175.79 1g3i s ASN 366 N -0.22 5.85 0.21 3.32 3.84 -1.02 -2.52 114.94 124.39 1g3i s ASN 366 Ca 0.43 0.07 0.11 0.00 0.21 0.00 0.00 52.86 53.68 1g3i s ASN 366 Cb -0.23 -2.04 -0.05 0.00 -0.55 0.00 0.00 41.25 38.39 1g3i s ASN 366 CO 0.28 0.09 -0.23 -0.51 -2.79 0.00 0.00 177.10 173.93 1g3i s ILE 367 N 0.90 2.36 -0.16 -5.21 2.07 -1.26 -0.63 121.20 119.26 1g3i s ILE 367 Ca 0.06 -2.10 -0.07 0.00 -1.41 0.00 0.00 60.65 57.13 1g3i s ILE 367 Cb -0.13 -2.15 0.06 0.00 0.13 0.00 0.00 42.46 40.37 1g3i s ILE 367 CO 0.03 -0.17 0.36 0.00 -1.91 0.00 0.00 174.94 173.25 1g3i s ALA 368 N -1.83 -0.91 -0.08 1.50 0.00 -0.60 -4.93 121.76 114.90 1g3i s ALA 368 Ca 0.22 1.35 -0.08 0.00 0.00 0.00 0.00 51.96 53.45 1g3i s ALA 368 Cb -0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1g3i s ALA 368 CO 0.11 -0.41 0.21 -0.06 0.00 0.00 0.00 175.76 175.61 1g3i s PHE 369 N 1.77 3.62 0.09 0.00 0.40 -1.26 -1.70 117.98 120.89 1g3i s PHE 369 Ca -0.06 0.61 -0.05 0.00 -0.60 0.00 0.00 56.93 56.82 1g3i s PHE 369 Cb -0.10 -2.00 -0.05 0.00 0.51 0.00 0.00 43.02 41.37 1g3i s PHE 369 CO -0.11 0.70 0.33 0.95 0.70 0.00 0.00 175.22 177.79 1g3i s THR 370 N -1.09 5.22 0.07 0.64 -4.23 -0.64 -4.95 115.64 110.66 1g3i s THR 370 Ca 0.19 0.07 -0.13 0.00 -1.18 0.00 0.00 61.69 60.64 1g3i s THR 370 Cb -0.13 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 1g3i s THR 370 CO 0.08 0.17 1.17 0.41 -0.54 0.00 0.00 174.62 175.91 1g3i n THR 371 N 0.49 -0.28 -0.14 3.99 -1.04 -1.26 0.13 114.28 116.17 1g3i n THR 371 Ca -0.06 1.80 0.28 0.00 -2.04 0.00 0.00 64.05 64.03 1g3i n THR 371 Cb 0.52 -2.31 0.71 0.00 -1.82 0.00 0.00 70.33 67.44 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 0.13 8.00 3.32 -1.96 0.34 116.42 126.25 1g3i h ASP 372 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1g3i h ASP 372 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1g3i h ASP 372 CO -0.39 0.00 -0.06 0.00 -1.72 0.00 0.00 179.24 177.07 1g3i h ALA 373 N 1.41 -0.18 -0.41 3.45 0.00 0.84 0.40 119.26 124.76 1g3i h ALA 373 Ca 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1g3i h ALA 373 Cb 1.78 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1g3i h ALA 373 CO -0.00 -0.43 0.26 0.28 0.00 0.00 0.00 179.25 179.36 1g3i h VAL 374 N -0.52 1.12 -0.95 0.00 2.07 0.88 0.36 116.25 119.21 1g3i h VAL 374 Ca -0.02 -0.24 0.17 0.00 0.82 0.00 0.00 66.70 67.43 1g3i h VAL 374 Cb 0.41 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 30.61 1g3i h VAL 374 CO 0.03 0.12 0.54 0.50 0.02 0.00 0.00 177.57 178.78 1g3i h LYS 375 N 0.56 0.70 0.59 1.57 3.64 -0.37 -1.13 116.57 122.12 1g3i h LYS 375 Ca 0.15 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1g3i h LYS 375 Cb -0.04 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1g3i h LYS 375 CO -0.03 0.47 -0.28 -0.22 -2.27 0.00 0.00 179.45 177.11 1g3i h LYS 376 N 0.73 -0.76 -0.79 1.90 1.63 0.24 0.05 116.57 119.56 1g3i h LYS 376 Ca 0.53 0.05 0.13 0.00 -0.85 0.00 0.00 60.65 60.51 1g3i h LYS 376 Cb 0.78 0.17 -0.14 0.00 -0.60 0.00 0.00 32.23 32.45 1g3i h LYS 376 CO -0.37 -0.51 -0.37 0.82 -3.45 0.00 0.00 179.45 175.57 1g3i h ILE 377 N -1.18 0.08 0.80 2.00 2.04 0.08 0.17 117.51 121.49 1g3i h ILE 377 Ca -0.08 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1g3i h ILE 377 Cb 0.61 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1g3i h ILE 377 CO 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.90 1g3i h ALA 378 N 1.15 -1.21 -1.31 1.87 0.00 -1.28 0.16 119.26 118.63 1g3i h ALA 378 Ca 0.28 -0.24 0.46 0.00 0.00 0.00 0.00 54.91 55.42 1g3i h ALA 378 Cb 0.57 0.42 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 1g3i h ALA 378 CO -0.83 -1.14 0.82 -1.91 0.00 0.00 0.00 179.25 176.19 1g3i n GLU 379 N -5.06 -0.04 0.21 0.00 4.07 0.00 -0.17 120.64 119.65 1g3i n GLU 379 Ca -0.13 1.26 -0.13 0.00 -0.06 0.00 0.00 57.16 58.10 1g3i n GLU 379 Cb 0.42 -2.45 -0.07 0.00 -0.06 0.00 0.00 31.44 29.29 1g3i n GLU 379 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1g3i h ALA 380 N 1.64 -0.56 -0.14 4.31 0.00 0.18 0.18 119.26 124.86 1g3i h ALA 380 Ca 0.87 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.61 1g3i h ALA 380 Cb 2.72 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 20.69 1g3i h ALA 380 CO -0.51 -0.62 -0.22 0.00 0.00 0.00 0.00 179.25 177.90 1g3i h ALA 381 N -0.60 -0.50 -0.75 0.00 0.00 0.14 -0.10 119.26 117.45 1g3i h ALA 381 Ca -0.06 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1g3i h ALA 381 Cb 0.56 0.86 -0.13 0.00 0.00 0.00 0.00 17.79 19.08 1g3i h ALA 381 CO 0.09 -0.60 -0.42 0.35 0.00 0.00 0.00 179.25 178.68 1g3i h PHE 382 N -0.16 -1.21 -0.53 0.00 -0.00 -1.29 -1.81 116.94 111.93 1g3i h PHE 382 Ca 0.03 0.09 0.05 0.00 -0.00 0.00 0.00 57.97 58.14 1g3i h PHE 382 Cb 0.24 0.64 -0.06 0.00 -0.00 0.00 0.00 35.95 36.76 1g3i h PHE 382 CO -0.63 -0.40 -0.32 -2.13 -0.00 0.00 0.00 178.31 174.83 1g3i n ARG 383 N -5.42 -0.24 0.07 1.11 3.00 0.61 -1.27 116.66 114.53 1g3i n ARG 383 Ca 0.05 1.06 -0.13 0.00 -0.00 0.00 0.00 57.85 58.83 1g3i n ARG 383 Cb 0.36 -1.56 -0.08 0.00 0.00 0.00 0.00 32.46 31.18 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 0.98 -0.94 5.15 3.04 -0.51 -1.72 116.25 122.26 1g3i h VAL 384 Ca 0.09 -0.22 0.18 0.00 -1.01 0.00 0.00 66.70 65.73 1g3i h VAL 384 Cb 0.22 1.13 -0.17 0.00 -2.01 0.00 0.00 31.29 30.45 1g3i h VAL 384 CO -0.50 0.06 -0.26 0.78 -1.01 0.00 0.00 177.57 176.64 1g3i h ASN 385 N -0.21 -0.95 -0.43 3.17 4.21 -0.66 0.81 115.58 121.51 1g3i h ASN 385 Ca -0.01 0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.78 1g3i h ASN 385 Cb 0.17 0.60 -0.02 0.00 -1.12 0.00 0.00 38.32 37.96 1g3i h ASN 385 CO 0.02 -0.31 0.27 -0.08 -1.29 0.00 0.00 177.43 176.04 1g3i h GLU 386 N -0.00 0.57 0.00 0.81 4.81 -0.72 -2.76 114.58 117.29 1g3i h GLU 386 Ca 0.43 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1g3i h GLU 386 Cb 0.67 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1g3i h GLU 386 CO -0.96 0.40 0.00 0.87 -0.73 0.00 0.00 179.01 178.59 1g3i h LYS 387 N 0.58 0.00 0.00 1.92 1.79 0.12 -3.48 116.57 117.50 1g3i h LYS 387 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1g3i h LYS 387 Cb -0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1g3i h LYS 387 CO -0.03 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.59 1g3i n THR 388 N -2.81 0.00 -2.67 -0.16 -2.24 0.19 -4.81 114.28 101.79 1g3i n THR 388 Ca 0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 1g3i n THR 388 Cb 0.35 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 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 3.98 3.54 -0.65 -0.78 2.56 -1.26 -4.89 118.70 121.19 1g3i s GLU 389 Ca 0.00 -1.20 -0.26 0.00 0.00 0.00 0.00 54.97 53.51 1g3i s GLU 389 Cb 0.00 -5.09 -0.12 0.00 2.00 0.00 0.00 34.13 30.92 1g3i s GLU 389 CO 0.00 -2.07 2.44 -1.71 -0.56 0.00 0.00 175.26 173.36 1g3i n ASN 390 N 8.26 1.75 -1.92 -1.70 2.85 -1.17 -4.74 115.26 118.59 1g3i n ASN 390 Ca 0.26 -0.70 -0.12 0.00 -0.11 0.00 0.00 54.58 53.91 1g3i n ASN 390 Cb 0.50 -1.48 0.21 0.00 1.24 0.00 0.00 39.78 40.25 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 8.03 2.70 -2.75 -1.44 -5.35 -1.26 -4.77 119.36 114.52 1g3i n ILE 391 Ca 0.45 -1.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.45 1g3i n ILE 391 Cb 0.44 -0.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 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 -0.44 2.66 0.20 3.28 0.00 -1.24 -2.94 105.19 106.71 1g3i n GLY 392 Ca 0.42 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.79 1.00 -0.54 4.61 0.00 -1.58 -2.86 119.26 119.11 1g3i h ALA 393 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1g3i h ALA 393 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1g3i h ALA 393 CO 0.00 0.00 0.36 0.00 0.00 0.00 0.00 179.25 179.61 1g3i h ARG 394 N 0.00 0.44 0.00 0.00 2.47 -1.77 0.03 114.38 115.55 1g3i h ARG 394 Ca 0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1g3i h ARG 394 Cb 0.67 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1g3i h ARG 394 CO 0.00 0.29 0.39 -0.09 0.56 0.00 0.00 179.97 181.12 1g3i h ARG 395 N 0.46 0.00 0.09 0.04 9.65 -1.67 0.53 114.38 123.47 1g3i h ARG 395 Ca 0.24 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.98 1g3i h ARG 395 Cb 0.34 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1g3i h ARG 395 CO -0.06 0.00 -0.60 -0.07 2.80 0.00 0.00 179.97 182.04 1g3i h LEU 396 N 0.00 0.29 -1.89 3.80 3.38 -1.22 -1.80 115.31 117.88 1g3i h LEU 396 Ca 0.00 -0.95 0.11 0.00 0.09 0.00 0.00 57.88 57.13 1g3i h LEU 396 Cb 0.78 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1g3i h LEU 396 CO 0.00 1.28 0.33 0.45 0.09 0.00 0.00 178.44 180.59 1g3i h HIS 397 N -0.59 0.13 0.42 1.13 3.86 -0.07 0.20 115.15 120.23 1g3i h HIS 397 Ca -0.11 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 1g3i h HIS 397 Cb 1.43 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.86 1g3i h HIS 397 CO 0.22 0.06 -0.20 1.15 0.86 0.00 0.00 177.93 180.02 1g3i h THR 398 N 0.12 0.00 -0.92 2.45 2.02 -1.32 -2.64 112.91 112.62 1g3i h THR 398 Ca 0.22 -0.37 0.06 0.00 0.77 0.00 0.00 66.41 67.09 1g3i h THR 398 Cb 0.71 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 1g3i h THR 398 CO -0.03 0.00 0.59 0.58 0.37 0.00 0.00 175.52 177.03 1g3i h VAL 399 N -0.93 1.08 0.50 3.16 2.07 -0.96 -1.26 116.25 119.91 1g3i h VAL 399 Ca -0.06 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1g3i h VAL 399 Cb 0.43 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1g3i h VAL 399 CO 0.09 0.20 -0.34 0.24 0.02 0.00 0.00 177.57 177.78 1g3i h MET 400 N 1.08 -0.77 -1.00 1.57 2.86 -0.71 -0.39 114.93 117.57 1g3i h MET 400 Ca 0.40 0.05 0.28 0.00 -2.06 0.00 0.00 59.70 58.37 1g3i h MET 400 Cb 0.14 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1g3i h MET 400 CO -0.16 -0.51 0.71 1.49 1.06 0.00 0.00 176.91 179.49 1g3i h GLU 401 N -0.80 0.07 -0.42 1.72 4.57 -1.10 1.03 114.58 119.64 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 0.65 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1g3i h GLU 401 CO 0.05 0.05 -0.28 -0.09 -1.18 0.00 0.00 179.01 177.55 1g3i h ARG 402 N 0.08 0.92 0.14 1.92 2.43 -0.57 -2.98 114.38 116.31 1g3i h ARG 402 Ca 0.49 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1g3i h ARG 402 Cb 1.81 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 1g3i h ARG 402 CO -0.05 1.08 -0.07 1.25 -1.51 0.00 0.00 179.97 180.67 1g3i h LEU 403 N 0.78 -0.16 -0.40 3.80 6.46 0.27 -3.23 115.31 122.83 1g3i h LEU 403 Ca 0.09 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1g3i h LEU 403 Cb 0.85 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1g3i h LEU 403 CO 0.08 0.42 0.00 0.23 -0.62 0.00 0.00 178.44 178.54 1g3i n MET 404 N -4.88 0.34 0.00 1.25 2.81 0.19 -4.24 117.12 112.59 1g3i n MET 404 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1g3i n MET 404 Cb 0.21 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 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 -0.17 0.00 -0.14 7.83 -0.08 -1.12 -1.17 116.55 121.69 1g3i n ASP 405 Ca 0.00 0.29 -0.05 0.00 -1.51 0.00 0.00 54.79 53.52 1g3i n ASP 405 Cb 0.03 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.45 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 -0.05 -0.89 -0.67 6.56 -1.86 -0.15 116.57 119.51 1g3i h LYS 406 Ca 0.00 0.00 0.17 0.00 -1.06 0.00 0.00 60.65 59.76 1g3i h LYS 406 Cb 0.00 0.01 -0.17 0.00 -0.57 0.00 0.00 32.23 31.51 1g3i h LYS 406 CO 0.00 -0.03 -0.26 0.82 -2.06 0.00 0.00 179.45 177.92 1g3i h ILE 407 N -0.05 0.09 -0.69 1.86 2.04 -1.85 0.18 117.51 119.09 1g3i h ILE 407 Ca 0.06 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.12 1g3i h ILE 407 Cb 0.20 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1g3i h ILE 407 CO -0.36 0.00 0.55 -1.28 0.00 0.00 0.00 178.15 177.07 1g3i h SER 408 N -0.01 0.00 0.00 1.72 0.87 0.51 1.09 113.55 117.73 1g3i h SER 408 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1g3i h SER 408 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1g3i h SER 408 CO -0.92 0.00 -0.19 0.15 -0.53 0.00 0.00 176.83 175.34 1g3i h PHE 409 N 0.00 0.00 0.00 2.24 3.57 -0.59 -3.38 116.94 118.77 1g3i h PHE 409 Ca 0.33 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 1g3i h PHE 409 Cb 1.43 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 1g3i h PHE 409 CO 0.00 0.00 -0.21 0.77 -2.23 0.00 0.00 178.31 176.64 1g3i h SER 410 N -0.96 0.00 -0.46 0.41 0.02 -1.12 -3.14 113.55 108.30 1g3i h SER 410 Ca 0.00 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 1g3i h SER 410 Cb 0.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1g3i h SER 410 CO 0.00 0.21 0.98 0.00 -1.14 0.00 0.00 176.83 176.88 1g3i h ALA 411 N 1.79 2.35 0.11 3.77 0.00 0.11 -1.26 119.26 126.12 1g3i h ALA 411 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1g3i h ALA 411 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1g3i h ALA 411 CO 0.03 -1.22 -0.05 1.03 0.00 0.00 0.00 179.25 179.04 1g3i h SER 412 N 0.00 -0.13 -0.57 0.00 0.87 -1.80 -3.26 113.55 108.66 1g3i h SER 412 Ca 0.22 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1g3i h SER 412 Cb 2.18 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 64.17 1g3i h SER 412 CO -0.00 0.34 0.00 -0.90 -0.53 0.00 0.00 176.83 175.74 1g3i n ASP 413 N -4.94 5.63 -1.24 6.23 3.85 -0.54 -4.16 116.55 121.38 1g3i n ASP 413 Ca -0.09 -2.91 0.06 0.00 -0.71 0.00 0.00 54.79 51.14 1g3i n ASP 413 Cb 0.26 -0.68 0.29 0.00 -1.35 0.00 0.00 41.12 39.64 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 0.61 3.36 -1.15 0.11 1.56 -0.81 -5.04 117.12 115.76 1g3i n MET 414 Ca 0.28 -2.97 -0.37 0.00 -0.27 0.00 0.00 57.70 54.37 1g3i n MET 414 Cb 1.17 -1.98 0.04 0.00 2.15 0.00 0.00 33.22 34.60 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 -0.28 -3.92 0.00 6.12 2.85 -1.26 -3.04 115.26 115.73 1g3i n ASN 415 Ca 0.26 0.46 0.00 0.00 -0.11 0.00 0.00 54.58 55.19 1g3i n ASN 415 Cb 1.02 -0.91 0.00 0.00 1.24 0.00 0.00 39.78 41.14 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 2.63 0.77 3.07 8.20 0.00 -1.06 -4.91 105.19 113.90 1g3i n GLY 416 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.36 -3.78 1.61 6.02 -1.17 -4.59 117.38 115.11 1g3i n GLN 417 Ca 0.00 -0.10 -0.19 0.00 -0.01 0.00 0.00 57.00 56.70 1g3i n GLN 417 Cb 0.00 -1.17 -0.17 0.00 1.02 0.00 0.00 30.24 29.92 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 -2.06 0.07 -0.17 5.09 -4.23 -1.26 -2.45 115.64 110.63 1g3i s THR 418 Ca 0.41 0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 61.01 1g3i s THR 418 Cb 0.04 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.60 1g3i s THR 418 CO 0.67 0.17 0.35 -0.69 -0.54 0.00 0.00 174.62 174.58 1g3i s VAL 419 N 1.62 5.25 -0.97 2.29 1.01 0.20 -4.98 120.40 124.82 1g3i s VAL 419 Ca -0.02 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1g3i s VAL 419 Cb -0.13 -3.69 0.24 0.00 0.00 0.00 0.00 36.38 32.81 1g3i s VAL 419 CO -0.03 0.33 0.90 -3.20 0.00 0.00 0.00 175.10 173.09 1g3i n ASN 420 N 3.96 4.63 -4.55 3.32 2.85 -1.26 -1.56 115.26 122.65 1g3i n ASN 420 Ca -0.10 -3.11 -0.31 0.00 -0.11 0.00 0.00 54.58 50.95 1g3i n ASN 420 Cb 0.52 -1.15 -0.04 0.00 1.24 0.00 0.00 39.78 40.34 1g3i n ASN 420 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1g3i s ILE 421 N -1.39 3.20 0.14 -1.44 1.01 -0.69 -4.85 121.20 117.18 1g3i s ILE 421 Ca 0.29 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.95 1g3i s ILE 421 Cb -0.08 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.90 1g3i s ILE 421 CO -0.11 -0.49 0.13 -0.90 0.00 0.00 0.00 174.94 173.57 1g3i n ASP 422 N 15.05 1.24 0.02 3.58 3.85 -1.26 -1.62 116.55 137.40 1g3i n ASP 422 Ca 0.34 -1.46 0.00 0.00 -0.71 0.00 0.00 54.79 52.96 1g3i n ASP 422 Cb 0.50 -0.03 0.32 0.00 -1.35 0.00 0.00 41.12 40.56 1g3i n ASP 422 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1g3i h ALA 423 N 0.66 1.40 0.32 2.12 0.00 -1.90 -0.73 119.26 121.13 1g3i h ALA 423 Ca -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1g3i h ALA 423 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1g3i h ALA 423 CO 0.13 0.42 -0.16 0.00 0.00 0.00 0.00 179.25 179.64 1g3i h ALA 424 N 1.53 -0.43 0.08 0.00 0.00 -1.95 0.36 119.26 118.85 1g3i h ALA 424 Ca 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1g3i h ALA 424 Cb 0.33 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1g3i h ALA 424 CO 0.01 -0.66 -0.43 -0.92 0.00 0.00 0.00 179.25 177.25 1g3i h TYR 425 N -0.59 -1.22 0.56 0.00 -0.00 -1.75 -0.33 116.97 113.63 1g3i h TYR 425 Ca -0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.70 1g3i h TYR 425 Cb 0.43 0.52 -0.01 0.00 -0.00 0.00 0.00 36.73 37.68 1g3i h TYR 425 CO -0.01 -0.52 -0.39 0.28 -0.00 0.00 0.00 178.16 177.51 1g3i h VAL 426 N -0.64 0.20 -0.95 1.81 2.07 -1.08 -0.41 116.25 117.24 1g3i h VAL 426 Ca 0.03 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.82 1g3i h VAL 426 Cb 0.68 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1g3i h VAL 426 CO -0.27 0.00 0.91 0.00 0.02 0.00 0.00 177.57 178.23 1g3i h ALA 427 N -0.61 2.81 -0.48 1.67 0.00 0.06 -2.25 119.26 120.46 1g3i h ALA 427 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1g3i h ALA 427 Cb 0.77 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1g3i h ALA 427 CO 0.03 -1.41 0.00 -3.47 0.00 0.00 0.00 179.25 174.41 1g3i n ASP 428 N -3.65 0.00 -0.05 0.00 -0.08 -0.16 -3.60 116.55 109.02 1g3i n ASP 428 Ca 0.21 0.37 0.18 0.00 -1.51 0.00 0.00 54.79 54.04 1g3i n ASP 428 Cb 1.23 -0.42 0.27 0.00 2.34 0.00 0.00 41.12 44.54 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 -1.83 0.64 -0.08 -1.67 0.00 -0.45 -0.45 120.51 116.67 1g3i n ALA 429 Ca 0.00 0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 1g3i n ALA 429 Cb 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.95 1g3i n ALA 429 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1g3i h LEU 430 N 0.00 0.07 -2.46 0.00 3.38 -1.58 -3.43 115.31 111.29 1g3i h LEU 430 Ca 0.31 -0.61 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1g3i h LEU 430 Cb 2.43 -0.02 0.04 0.00 0.09 0.00 0.00 40.66 43.20 1g3i h LEU 430 CO -0.00 1.50 -0.18 0.61 0.09 0.00 0.00 178.44 180.45 1g3i n GLY 431 N 1.52 -1.07 1.10 0.83 0.00 0.40 -4.93 105.19 103.03 1g3i n GLY 431 Ca -0.30 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1g3i n GLY 431 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g3i n GLU 432 N -2.00 -0.66 0.00 1.61 1.02 -1.26 -5.09 120.64 114.26 1g3i n GLU 432 Ca -0.01 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1g3i n GLU 432 Cb 0.53 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1g3i n GLU 432 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1g3i n VAL 433 N -1.11 0.00 -3.77 2.62 3.14 -1.26 -5.17 118.33 112.77 1g3i n VAL 433 Ca 0.00 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.13 1g3i n VAL 433 Cb 0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1g3i n VAL 433 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1g3i s VAL 434 N 0.00 5.23 0.66 1.55 1.01 -1.26 -4.98 120.40 122.61 1g3i s VAL 434 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1g3i s VAL 434 Cb 0.00 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1g3i s VAL 434 CO 0.00 -0.27 1.06 -1.83 0.00 0.00 0.00 175.10 174.06 1g3i s GLU 435 N -3.67 3.08 0.00 2.72 1.03 -1.26 -4.85 118.70 115.75 1g3i s GLU 435 Ca 0.37 1.02 0.00 0.00 0.03 0.00 0.00 54.97 56.39 1g3i s GLU 435 Cb -0.10 -2.01 0.00 0.00 -0.80 0.00 0.00 34.13 31.22 1g3i s GLU 435 CO 0.30 -0.99 0.00 0.09 -1.33 0.00 0.00 175.26 173.33 1g3i n ASN 436 N -2.77 0.00 0.00 0.83 3.02 -1.26 -5.07 115.26 110.01 1g3i n ASN 436 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1g3i n ASN 436 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1g3i n ASN 436 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1g3i n GLU 437 N 0.00 0.00 -0.04 3.52 2.13 -1.26 -4.72 120.64 120.27 1g3i n GLU 437 Ca 0.00 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.29 1g3i n GLU 437 Cb 0.00 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 30.71 1g3i n GLU 437 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1g3i n ASP 438 N -0.96 -0.10 -1.01 4.31 10.43 -1.26 -4.77 116.55 123.19 1g3i n ASP 438 Ca 0.00 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.39 1g3i n ASP 438 Cb 0.00 -0.03 -0.01 0.00 1.84 0.00 0.00 41.12 42.93 1g3i n ASP 438 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1g3i n LEU 439 N 0.00 0.00 0.00 0.64 -0.00 -1.26 -4.68 117.00 111.70 1g3i n LEU 439 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1g3i n LEU 439 Cb 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 42.66 1g3i n LEU 439 CO 0.00 -1.63 0.00 -1.20 -0.00 0.00 0.00 177.39 174.56 1g3i n SER 440 N -3.30 0.00 -0.18 1.45 7.64 -1.26 -2.99 113.62 114.97 1g3i n SER 440 Ca 0.00 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.07 1g3i n SER 440 Cb 0.11 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.60 1g3i n SER 440 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1g3i n ARG 441 N 0.00 0.01 0.00 1.43 5.12 -1.26 0.18 116.66 122.14 1g3i n ARG 441 Ca 0.00 0.55 0.03 0.00 -1.93 0.00 0.00 57.85 56.51 1g3i n ARG 441 Cb 0.00 -1.35 -0.02 0.00 -1.16 0.00 0.00 32.46 29.93 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 -2.51 0.00 -4.29 -1.55 3.72 -1.16 -5.02 117.46 106.66 1g3i n PHE 442 Ca 0.15 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.25 1g3i n PHE 442 Cb 0.89 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.33 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 -1.39 3.37 -1.51 4.37 1.01 0.49 -4.99 121.20 122.54 1g3i s ILE 443 Ca 0.04 -1.20 0.12 0.00 0.00 0.00 0.00 60.65 59.61 1g3i s ILE 443 Cb 0.05 -2.55 0.10 0.00 0.01 0.00 0.00 42.46 40.06 1g3i s ILE 443 CO 0.22 0.16 0.88 -0.11 0.00 0.00 0.00 174.94 176.10