#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 0.22 0.73 1.43 2.56 -1.26 -5.15 118.70 117.24 1g3i s GLU 3 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 54.97 54.77 1g3i s GLU 3 Cb 0.00 0.10 0.19 0.00 2.00 0.00 0.00 34.13 36.42 1g3i s GLU 3 CO 0.00 -0.10 0.53 -1.33 -0.56 0.00 0.00 175.26 173.80 1g3i n MET 4 N -0.06 -2.91 -4.31 4.30 2.81 -1.26 -5.07 117.12 110.62 1g3i n MET 4 Ca 0.02 -0.86 -0.16 0.00 -1.81 0.00 0.00 57.70 54.89 1g3i n MET 4 Cb 0.58 -0.96 -0.10 0.00 -0.71 0.00 0.00 33.22 32.03 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 -1.82 0.64 0.01 2.03 -4.23 -1.26 -4.95 115.64 106.06 1g3i s THR 5 Ca 0.37 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 1g3i s THR 5 Cb -0.05 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1g3i s THR 5 CO 0.30 -0.09 1.05 -0.65 -0.54 0.00 0.00 174.62 174.69 1g3i h PRO 6 N 2.42 -0.01 -0.30 3.99 0.11 -1.97 0.71 132.00 136.94 1g3i h PRO 6 Ca -0.38 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 1g3i h PRO 6 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1g3i h PRO 6 CO 0.62 -0.01 -0.01 -0.09 -0.21 0.00 0.00 178.00 178.30 1g3i h ARG 7 N -0.01 0.46 -0.59 1.05 2.43 -1.98 -2.58 114.38 113.17 1g3i h ARG 7 Ca 0.01 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1g3i h ARG 7 Cb 0.04 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1g3i h ARG 7 CO -0.07 0.50 0.33 1.49 -1.51 0.00 0.00 179.97 180.71 1g3i h GLU 8 N 0.45 0.82 -0.19 0.20 4.81 -1.64 -2.55 114.58 116.48 1g3i h GLU 8 Ca 0.10 -0.09 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1g3i h GLU 8 Cb 0.31 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1g3i h GLU 8 CO 0.01 0.62 -0.65 0.82 -0.73 0.00 0.00 179.01 179.08 1g3i h ILE 9 N 0.80 1.30 -0.99 2.32 2.04 0.75 -3.03 117.51 120.71 1g3i h ILE 9 Ca 0.21 -1.88 0.05 0.00 1.00 0.00 0.00 64.86 64.24 1g3i h ILE 9 Cb 0.03 1.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 1g3i h ILE 9 CO -0.03 0.59 0.64 0.58 0.00 0.00 0.00 178.15 179.93 1g3i h VAL 10 N 0.52 1.13 0.09 1.67 2.07 -1.33 -0.55 116.25 119.86 1g3i h VAL 10 Ca -0.02 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1g3i h VAL 10 Cb 1.25 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1g3i h VAL 10 CO 0.13 0.22 -0.22 0.28 0.02 0.00 0.00 177.57 178.01 1g3i h SER 11 N 1.21 -0.64 -0.96 0.57 0.02 -1.34 0.64 113.55 113.06 1g3i h SER 11 Ca 0.41 0.06 0.30 0.00 -0.84 0.00 0.00 61.79 61.72 1g3i h SER 11 Cb 0.08 0.23 -0.17 0.00 0.14 0.00 0.00 62.40 62.68 1g3i h SER 11 CO -0.14 -0.24 0.26 -0.08 -1.14 0.00 0.00 176.83 175.49 1g3i h GLU 12 N -0.34 0.09 -0.47 3.45 4.57 -1.38 0.49 114.58 121.00 1g3i h GLU 12 Ca -0.01 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 1g3i h GLU 12 Cb 0.32 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1g3i h GLU 12 CO -0.10 0.06 -0.24 -0.07 -1.18 0.00 0.00 179.01 177.49 1g3i h LEU 13 N 0.10 1.01 -2.26 1.64 3.38 -0.26 -2.32 115.31 116.60 1g3i h LEU 13 Ca 0.65 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1g3i h LEU 13 Cb 1.47 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1g3i h LEU 13 CO -0.77 1.19 0.02 0.44 0.09 0.00 0.00 178.44 179.41 1g3i h ASP 14 N 0.84 0.00 0.20 -0.43 3.32 0.53 -1.05 116.42 119.83 1g3i h ASP 14 Ca 0.10 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 1g3i h ASP 14 Cb 0.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1g3i h ASP 14 CO 0.07 0.00 -0.34 1.56 -1.72 0.00 0.00 179.24 178.81 1g3i h GLN 15 N 0.00 0.21 0.00 3.56 4.20 -1.00 -3.35 115.11 118.73 1g3i h GLN 15 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1g3i h GLN 15 Cb 0.04 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1g3i h GLN 15 CO 0.00 0.53 -1.33 0.72 -0.67 0.00 0.00 178.83 178.09 1g3i n HIS 16 N -4.09 0.00 -5.12 2.96 8.25 -0.47 -1.30 115.22 115.46 1g3i n HIS 16 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 1g3i n HIS 16 Cb 0.42 -0.17 -0.15 0.00 1.12 0.00 0.00 29.99 31.21 1g3i n HIS 16 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1g3i s ILE 17 N -2.51 2.47 -0.13 1.59 1.09 -0.80 -4.85 121.20 118.06 1g3i s ILE 17 Ca -0.03 -0.93 -0.12 0.00 -1.10 0.00 0.00 60.65 58.47 1g3i s ILE 17 Cb 0.05 -1.92 -0.05 0.00 -1.06 0.00 0.00 42.46 39.48 1g3i s ILE 17 CO 0.32 0.58 0.25 -0.63 -0.10 0.00 0.00 174.94 175.36 1g3i s ILE 18 N -0.48 5.32 0.00 2.92 -1.09 -1.26 -4.50 121.20 122.11 1g3i s ILE 18 Ca 0.06 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 1g3i s ILE 18 Cb -0.12 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1g3i s ILE 18 CO 0.01 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1g3i n GLY 19 N 2.83 0.52 3.46 6.18 0.00 -1.26 -4.95 105.19 111.97 1g3i n GLY 19 Ca -0.15 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 1g3i n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3i n GLN 20 N 0.00 -1.67 -0.04 1.61 1.13 -1.26 -4.91 117.38 112.23 1g3i n GLN 20 Ca 0.00 1.22 -0.00 0.00 -1.94 0.00 0.00 57.00 56.28 1g3i n GLN 20 Cb 0.00 -3.39 -0.00 0.00 0.11 0.00 0.00 30.24 26.96 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 1.35 0.00 -0.96 -1.58 0.00 -1.92 -3.24 119.26 112.91 1g3i h ALA 21 Ca -0.41 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 54.68 1g3i h ALA 21 Cb 1.27 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.89 1g3i h ALA 21 CO 0.30 0.01 -0.21 -0.25 0.00 0.00 0.00 179.25 179.11 1g3i n ASP 22 N -4.10 -0.32 0.05 0.00 8.00 -1.26 0.66 116.55 119.57 1g3i n ASP 22 Ca -0.00 1.65 -0.11 0.00 0.71 0.00 0.00 54.79 57.04 1g3i n ASP 22 Cb 0.01 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 40.55 1g3i n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g3i h ALA 23 N 1.92 -0.33 -0.68 2.24 0.00 -1.78 0.73 119.26 121.36 1g3i h ALA 23 Ca 0.47 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.48 1g3i h ALA 23 Cb 0.75 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1g3i h ALA 23 CO -0.98 -0.75 0.31 0.87 0.00 0.00 0.00 179.25 178.70 1g3i h LYS 24 N -0.39 0.52 0.47 0.00 1.57 0.20 -1.06 116.57 117.88 1g3i h LYS 24 Ca 0.07 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1g3i h LYS 24 Cb 0.48 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1g3i h LYS 24 CO -0.24 0.34 -0.28 -0.09 -0.57 0.00 0.00 179.45 178.61 1g3i h ARG 25 N 0.54 -0.69 -0.53 3.15 2.43 -0.53 -1.02 114.38 117.73 1g3i h ARG 25 Ca 0.34 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.63 1g3i h ARG 25 Cb 0.39 0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 30.00 1g3i h ARG 25 CO -0.29 -0.46 -0.48 0.00 -1.51 0.00 0.00 179.97 177.23 1g3i h ALA 26 N -0.23 -0.50 0.00 2.80 0.00 0.10 0.51 119.26 121.94 1g3i h ALA 26 Ca -0.05 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1g3i h ALA 26 Cb 0.58 1.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1g3i h ALA 26 CO 0.06 -0.91 -0.15 -0.39 0.00 0.00 0.00 179.25 177.86 1g3i h VAL 27 N -0.28 0.71 0.56 0.00 -1.51 -1.15 -2.10 116.25 112.48 1g3i h VAL 27 Ca 0.14 -0.61 -0.03 0.00 -1.23 0.00 0.00 66.70 64.98 1g3i h VAL 27 Cb 0.57 1.37 0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1g3i h VAL 27 CO -0.66 0.15 -0.27 0.00 -1.23 0.00 0.00 177.57 175.56 1g3i h ALA 28 N 1.85 -0.92 -0.59 5.19 0.00 0.12 0.40 119.26 125.31 1g3i h ALA 28 Ca -0.00 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.92 1g3i h ALA 28 Cb 0.36 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1g3i h ALA 28 CO 0.02 -0.87 0.49 -0.84 0.00 0.00 0.00 179.25 178.05 1g3i h ILE 29 N -0.97 0.52 0.14 0.00 3.07 -0.54 0.46 117.51 120.20 1g3i h ILE 29 Ca -0.08 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.33 1g3i h ILE 29 Cb 0.58 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 1g3i h ILE 29 CO 0.13 0.00 -0.07 0.00 -1.05 0.00 0.00 178.15 177.16 1g3i h ALA 30 N 1.57 -0.19 -0.62 0.16 0.00 -1.10 -1.79 119.26 117.30 1g3i h ALA 30 Ca 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1g3i h ALA 30 Cb 1.27 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1g3i h ALA 30 CO -0.00 -0.29 0.37 1.25 0.00 0.00 0.00 179.25 180.58 1g3i h LEU 31 N -0.83 0.73 -0.47 0.00 5.85 0.19 -2.17 115.31 118.61 1g3i h LEU 31 Ca -0.02 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 1g3i h LEU 31 Cb 0.54 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1g3i h LEU 31 CO 0.03 0.57 0.06 -0.09 -0.34 0.00 0.00 178.44 178.67 1g3i h ARG 32 N 0.85 0.79 -0.10 1.25 9.65 -0.20 -2.39 114.38 124.23 1g3i h ARG 32 Ca 0.22 -0.22 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 1g3i h ARG 32 Cb -0.03 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.46 1g3i h ARG 32 CO -0.04 0.81 0.22 -0.91 2.80 0.00 0.00 179.97 182.85 1g3i h ASN 33 N 0.65 0.00 -0.49 -3.80 2.35 -0.65 0.92 115.58 114.56 1g3i h ASN 33 Ca 0.14 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1g3i h ASN 33 Cb 0.41 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1g3i h ASN 33 CO 0.01 0.00 0.14 -0.09 -1.65 0.00 0.00 177.43 175.84 1g3i h ARG 34 N 0.00 0.78 -0.30 0.81 9.65 -1.32 -1.05 114.38 122.94 1g3i h ARG 34 Ca 0.05 -0.18 -0.18 0.00 -1.10 0.00 0.00 59.98 58.57 1g3i h ARG 34 Cb 0.49 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1g3i h ARG 34 CO -0.00 0.74 -0.51 2.35 2.80 0.00 0.00 179.97 185.35 1g3i h TRP 35 N 0.67 1.08 0.49 2.20 7.01 -0.92 -3.30 115.95 123.18 1g3i h TRP 35 Ca 0.16 -0.37 -0.02 0.00 2.11 0.00 0.00 58.89 60.77 1g3i h TRP 35 Cb 0.30 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1g3i h TRP 35 CO 0.02 1.19 -0.39 0.00 -2.79 0.00 0.00 178.44 176.47 1g3i h ARG 36 N 0.68 -0.82 -7.17 2.65 3.08 -1.06 -3.33 114.38 108.41 1g3i h ARG 36 Ca 0.03 0.06 -0.41 0.00 0.07 0.00 0.00 59.98 59.72 1g3i h ARG 36 Cb 1.11 0.19 0.20 0.00 0.08 0.00 0.00 29.97 31.55 1g3i h ARG 36 CO 0.11 -0.55 -0.00 0.50 -1.07 0.00 0.00 179.97 178.96 1g3i s ARG 37 N -5.24 -1.68 -1.69 0.04 3.52 -0.43 -2.15 118.95 111.31 1g3i s ARG 37 Ca -0.14 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1g3i s ARG 37 Cb 0.03 -1.50 0.00 0.00 -1.56 0.00 0.00 34.95 31.91 1g3i s ARG 37 CO 0.47 -4.11 0.00 -0.12 -0.81 0.00 0.00 175.30 170.73 1g3i n MET 38 N -5.12 -1.29 0.00 5.12 1.56 -1.26 -4.46 117.12 111.67 1g3i n MET 38 Ca 0.08 1.05 0.00 0.00 -0.27 0.00 0.00 57.70 58.57 1g3i n MET 38 Cb 0.58 -5.31 0.00 0.00 2.15 0.00 0.00 33.22 30.63 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 -2.17 0.00 -2.82 2.12 -0.06 -0.91 -5.01 117.38 108.53 1g3i n GLN 39 Ca -0.16 0.00 -0.21 0.00 -2.00 0.00 0.00 57.00 54.63 1g3i n GLN 39 Cb 0.57 -0.17 0.02 0.00 -4.06 0.00 0.00 30.24 26.60 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 3.45 0.22 1.69 1.43 -1.23 -5.08 118.68 119.16 1g3i s LEU 40 Ca 0.00 0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 52.87 1g3i s LEU 40 Cb 0.00 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.21 1g3i s LEU 40 CO 0.00 -0.95 0.82 -1.10 0.23 0.00 0.00 176.35 175.36 1g3i s GLN 41 N -4.63 4.54 0.00 1.70 -1.52 -1.26 -4.48 119.66 114.01 1g3i s GLN 41 Ca 0.54 1.17 0.00 0.00 -1.95 0.00 0.00 55.36 55.12 1g3i s GLN 41 Cb -0.10 -3.08 0.00 0.00 -0.22 0.00 0.00 33.01 29.61 1g3i s GLN 41 CO 0.37 0.46 0.00 -1.91 -0.25 0.00 0.00 175.29 173.97 1g3i n GLU 42 N 1.17 0.00 0.03 2.91 4.07 -1.26 -1.40 120.64 126.15 1g3i n GLU 42 Ca -0.03 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.94 1g3i n GLU 42 Cb 0.49 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.79 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 -0.51 0.03 5.31 0.11 -2.01 -3.07 132.00 131.86 1g3i h PRO 43 Ca 0.00 0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.92 1g3i h PRO 43 Cb 0.00 0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 1g3i h PRO 43 CO 0.00 -0.34 -0.99 -0.07 -0.21 0.00 0.00 178.00 176.39 1g3i h LEU 44 N -0.53 0.40 -1.54 2.35 3.38 -1.60 -2.98 115.31 114.78 1g3i h LEU 44 Ca 0.02 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 57.74 1g3i h LEU 44 Cb 0.59 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1g3i h LEU 44 CO -0.32 1.17 0.64 -0.09 0.09 0.00 0.00 178.44 179.93 1g3i h ARG 45 N 0.15 0.00 0.00 1.13 2.43 -1.32 0.29 114.38 117.06 1g3i h ARG 45 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1g3i h ARG 45 Cb 1.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1g3i h ARG 45 CO 0.16 0.00 -1.01 1.58 -1.51 0.00 0.00 179.97 179.20 1g3i n HIS 46 N -3.22 0.00 0.10 2.20 -0.00 -1.17 -4.45 115.22 108.68 1g3i n HIS 46 Ca 0.07 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.04 1g3i n HIS 46 Cb 0.78 -0.11 -0.13 0.00 -0.12 0.00 0.00 29.99 30.41 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 0.54 -6.88 1.57 4.39 -0.30 -3.45 114.58 110.45 1g3i h GLU 47 Ca 0.00 -0.77 -0.51 0.00 0.34 0.00 0.00 59.36 58.43 1g3i h GLU 47 Cb 0.29 0.26 0.04 0.00 -0.10 0.00 0.00 28.75 29.24 1g3i h GLU 47 CO 0.00 1.35 0.50 0.54 -1.16 0.00 0.00 179.01 180.24 1g3i s VAL 48 N -2.89 3.27 0.11 3.13 0.11 -0.60 -5.04 120.40 118.49 1g3i s VAL 48 Ca -0.08 1.17 0.07 0.00 -2.93 0.00 0.00 61.98 60.21 1g3i s VAL 48 Cb 0.06 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 1g3i s VAL 48 CO 0.92 0.19 -0.19 0.42 -3.33 0.00 0.00 175.10 173.12 1g3i s THR 49 N -1.31 1.59 0.36 5.04 -4.23 -1.26 -5.00 115.64 110.84 1g3i s THR 49 Ca 0.51 -1.57 -0.24 0.00 -1.18 0.00 0.00 61.69 59.21 1g3i s THR 49 Cb -0.32 -1.51 -0.14 0.00 1.34 0.00 0.00 72.50 71.87 1g3i s THR 49 CO 0.40 -0.16 0.50 -2.65 -0.54 0.00 0.00 174.62 172.18 1g3i n PRO 50 N 0.95 0.44 -1.87 3.99 -0.02 -1.26 -4.91 135.00 132.32 1g3i n PRO 50 Ca -0.18 0.16 -0.37 0.00 -2.02 0.00 0.00 63.50 61.09 1g3i n PRO 50 Cb 0.54 -1.35 0.04 0.00 -0.02 0.00 0.00 33.50 32.72 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 0.83 2.86 0.00 -0.52 4.76 -1.26 -5.02 118.16 119.82 1g3i n LYS 51 Ca 0.12 -3.63 0.00 0.00 -2.87 0.00 0.00 58.31 51.94 1g3i n LYS 51 Cb 0.36 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.28 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 -0.62 0.00 -4.54 4.39 4.13 -1.26 -4.13 115.26 113.23 1g3i n ASN 52 Ca 0.54 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.50 1g3i n ASN 52 Cb 0.41 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.54 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 3.16 -0.24 2.41 1.01 -0.85 -2.63 121.20 124.05 1g3i s ILE 53 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 60.65 59.30 1g3i s ILE 53 Cb 0.00 -2.46 0.06 0.00 0.01 0.00 0.00 42.46 40.07 1g3i s ILE 53 CO 0.00 0.11 -0.05 -0.22 0.00 0.00 0.00 174.94 174.78 1g3i s LEU 54 N -2.18 2.67 -0.15 2.97 2.96 0.59 -1.21 118.68 124.33 1g3i s LEU 54 Ca 0.20 -1.23 -0.20 0.00 -0.22 0.00 0.00 54.13 52.68 1g3i s LEU 54 Cb -0.11 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 1g3i s LEU 54 CO 0.12 -0.24 0.57 -0.04 -1.32 0.00 0.00 176.35 175.43 1g3i s MET 55 N 1.37 4.29 -0.09 1.98 -1.94 0.46 -2.25 119.30 123.12 1g3i s MET 55 Ca -0.05 0.57 -0.02 0.00 -1.71 0.00 0.00 55.69 54.47 1g3i s MET 55 Cb -0.19 -3.50 -0.03 0.00 2.01 0.00 0.00 34.83 33.12 1g3i s MET 55 CO -0.07 -0.03 0.01 0.42 -0.01 0.00 0.00 175.02 175.34 1g3i s ILE 56 N 1.21 4.38 0.00 2.53 1.09 -0.60 -2.22 121.20 127.59 1g3i s ILE 56 Ca 0.28 -0.22 0.00 0.00 -1.10 0.00 0.00 60.65 59.61 1g3i s ILE 56 Cb -0.16 -2.85 0.00 0.00 -1.06 0.00 0.00 42.46 38.40 1g3i s ILE 56 CO 0.12 0.60 0.00 0.61 -0.10 0.00 0.00 174.94 176.17 1g3i n GLY 57 N 2.16 -0.30 1.56 6.18 0.00 -0.67 -1.13 105.19 112.99 1g3i n GLY 57 Ca -0.19 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.06 -0.88 -2.67 1.61 -0.02 -1.26 -3.41 135.00 128.31 1g3i n PRO 58 Ca 0.00 -0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 60.25 1g3i n PRO 58 Cb 0.00 -0.59 -0.04 0.00 -0.02 0.00 0.00 33.50 32.85 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 -2.11 4.55 -0.63 3.45 2.01 -1.26 -4.47 115.64 117.19 1g3i s THR 59 Ca 0.31 1.97 -0.18 0.00 0.31 0.00 0.00 61.69 64.10 1g3i s THR 59 Cb -0.01 -4.26 0.03 0.00 0.01 0.00 0.00 72.50 68.26 1g3i s THR 59 CO 0.22 0.23 0.64 0.61 -0.69 0.00 0.00 174.62 175.63 1g3i n GLY 60 N 2.60 -0.68 0.12 4.40 0.00 -1.26 -3.60 105.19 106.76 1g3i n GLY 60 Ca 0.05 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 -1.35 0.05 0.00 1.61 0.24 -1.26 -1.33 118.33 116.29 1g3i n VAL 61 Ca -0.16 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1g3i n VAL 61 Cb 0.66 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.03 0.82 0.27 7.63 0.00 -1.26 -4.90 105.19 107.72 1g3i n GLY 62 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.28 -0.05 1.61 5.02 -1.26 -0.83 118.16 122.38 1g3i n LYS 63 Ca 0.00 1.00 -0.11 0.00 -2.02 0.00 0.00 58.31 57.18 1g3i n LYS 63 Cb 0.00 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.49 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 1.15 -0.19 -0.18 2.02 -1.99 -2.35 112.91 111.37 1g3i h THR 64 Ca 0.10 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 66.88 1g3i h THR 64 Cb 0.26 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1g3i h THR 64 CO -0.60 0.14 -0.08 -0.33 0.37 0.00 0.00 175.52 175.03 1g3i h GLU 65 N 0.15 -0.05 -0.72 6.66 4.39 -1.40 0.28 114.58 123.89 1g3i h GLU 65 Ca 0.06 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.91 1g3i h GLU 65 Cb 0.16 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.72 1g3i h GLU 65 CO -0.01 -0.03 0.22 0.82 -1.16 0.00 0.00 179.01 178.85 1g3i h ILE 66 N -0.05 0.59 -0.04 3.13 2.04 -0.93 0.64 117.51 122.90 1g3i h ILE 66 Ca 0.10 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1g3i h ILE 66 Cb 0.20 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1g3i h ILE 66 CO -0.22 0.06 -0.01 0.00 0.00 0.00 0.00 178.15 177.99 1g3i h ALA 67 N 1.56 0.05 -0.76 1.87 0.00 -0.50 -1.02 119.26 120.45 1g3i h ALA 67 Ca 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1g3i h ALA 67 Cb 0.64 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1g3i h ALA 67 CO -0.45 -0.26 0.39 -0.09 0.00 0.00 0.00 179.25 178.84 1g3i h ARG 68 N -0.27 1.08 -0.05 0.00 2.43 0.23 -2.24 114.38 115.55 1g3i h ARG 68 Ca 0.01 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1g3i h ARG 68 Cb 0.37 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1g3i h ARG 68 CO 0.00 0.82 0.02 0.00 -1.51 0.00 0.00 179.97 179.30 1g3i h ARG 69 N 1.06 0.08 -0.51 0.20 2.47 0.30 -0.25 114.38 117.73 1g3i h ARG 69 Ca 0.26 -0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.06 1g3i h ARG 69 Cb 0.08 -0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.28 1g3i h ARG 69 CO -0.04 0.25 -0.34 1.25 0.56 0.00 0.00 179.97 181.66 1g3i h LEU 70 N -0.10 -1.14 -0.20 3.04 5.85 -0.93 0.52 115.31 122.35 1g3i h LEU 70 Ca 0.02 0.21 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1g3i h LEU 70 Cb 0.20 0.55 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1g3i h LEU 70 CO -0.00 -0.31 -0.18 0.00 -0.34 0.00 0.00 178.44 177.61 1g3i h ALA 71 N 0.88 -0.06 -0.13 1.25 0.00 -1.23 -0.94 119.26 119.04 1g3i h ALA 71 Ca 0.20 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1g3i h ALA 71 Cb 0.55 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1g3i h ALA 71 CO -0.62 -0.61 -0.22 -0.22 0.00 0.00 0.00 179.25 177.57 1g3i h LYS 72 N -0.19 -0.28 0.00 0.00 1.63 0.15 0.19 116.57 118.07 1g3i h LYS 72 Ca 0.12 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1g3i h LYS 72 Cb 0.37 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1g3i h LYS 72 CO -0.31 -0.18 0.00 1.47 -3.45 0.00 0.00 179.45 176.97 1g3i n LEU 73 N -5.36 0.00 -0.59 5.20 -0.00 0.14 -1.00 117.00 115.39 1g3i n LEU 73 Ca -0.03 0.42 0.09 0.00 -0.00 0.00 0.00 56.01 56.49 1g3i n LEU 73 Cb 0.27 -0.42 0.04 0.00 -0.00 0.00 0.00 43.42 43.32 1g3i n LEU 73 CO 0.19 -0.18 0.43 0.00 -0.00 0.00 0.00 177.39 177.82 1g3i n ALA 74 N -1.42 2.80 -3.73 1.47 0.00 0.10 -4.96 120.51 114.77 1g3i n ALA 74 Ca 0.06 -0.61 -0.28 0.00 0.00 0.00 0.00 53.44 52.61 1g3i n ALA 74 Cb 0.17 -0.62 0.03 0.00 0.00 0.00 0.00 19.45 19.03 1g3i n ALA 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1g3i n ASN 75 N 0.56 -3.63 -4.34 0.00 5.15 0.45 -4.96 115.26 108.48 1g3i n ASN 75 Ca 0.09 -0.97 -0.30 0.00 -0.60 0.00 0.00 54.58 52.80 1g3i n ASN 75 Cb 0.42 -3.48 -0.15 0.00 -0.53 0.00 0.00 39.78 36.05 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 -3.60 2.23 0.08 5.20 0.00 -0.64 -5.04 121.76 119.98 1g3i s ALA 76 Ca 0.30 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 1g3i s ALA 76 Cb -0.10 -0.46 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 1g3i s ALA 76 CO 0.86 0.53 1.90 -2.14 0.00 0.00 0.00 175.76 176.90 1g3i s PRO 77 N -1.28 4.14 0.17 0.00 0.02 -1.24 -4.69 135.00 132.12 1g3i s PRO 77 Ca 0.12 2.60 0.10 0.00 0.02 0.00 0.00 61.00 63.83 1g3i s PRO 77 Cb -0.10 -3.88 -0.04 0.00 0.02 0.00 0.00 34.50 30.50 1g3i s PRO 77 CO 0.02 -0.90 -0.22 0.12 -0.33 0.00 0.00 177.00 175.70 1g3i s PHE 78 N 3.61 2.08 -0.28 6.54 5.36 -1.26 -1.02 117.98 133.01 1g3i s PHE 78 Ca 0.84 -0.40 -0.19 0.00 -0.96 0.00 0.00 56.93 56.22 1g3i s PHE 78 Cb -0.44 -1.05 0.09 0.00 -0.34 0.00 0.00 43.02 41.29 1g3i s PHE 78 CO 0.39 0.41 0.78 -1.50 -1.46 0.00 0.00 175.22 173.83 1g3i s ILE 79 N -1.73 0.00 0.07 3.12 1.10 -1.08 -4.92 121.20 117.75 1g3i s ILE 79 Ca 0.17 0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.37 1g3i s ILE 79 Cb -0.07 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.50 1g3i s ILE 79 CO 0.08 0.00 -0.06 -0.75 -2.11 0.00 0.00 174.94 172.10 1g3i s LYS 80 N 1.16 2.36 -0.13 3.50 2.20 -1.26 -0.58 119.74 126.99 1g3i s LYS 80 Ca -0.06 -0.89 -0.11 0.00 -0.36 0.00 0.00 55.97 54.55 1g3i s LYS 80 Cb -0.05 -2.42 0.04 0.00 -1.51 0.00 0.00 37.83 33.89 1g3i s LYS 80 CO -0.13 0.54 0.33 0.14 -0.36 0.00 0.00 175.35 175.87 1g3i s VAL 81 N -1.18 -0.01 0.20 4.02 -7.23 -0.47 -4.95 120.40 110.80 1g3i s VAL 81 Ca 0.21 0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 1g3i s VAL 81 Cb -0.11 -0.47 -0.08 0.00 0.56 0.00 0.00 36.38 36.28 1g3i s VAL 81 CO 0.13 0.01 1.03 -0.70 -0.31 0.00 0.00 175.10 175.26 1g3i s GLU 82 N 0.39 4.70 0.28 4.82 2.56 -1.26 -1.40 118.70 128.78 1g3i s GLU 82 Ca -0.02 1.63 0.01 0.00 0.00 0.00 0.00 54.97 56.59 1g3i s GLU 82 Cb -0.04 -3.28 0.40 0.00 2.00 0.00 0.00 34.13 33.21 1g3i s GLU 82 CO -0.02 0.25 1.75 0.00 -0.56 0.00 0.00 175.26 176.68 1g3i h ALA 83 N 4.65 1.12 0.00 6.30 0.00 -1.65 -2.01 119.26 127.68 1g3i h ALA 83 Ca -0.45 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1g3i h ALA 83 Cb 1.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1g3i h ALA 83 CO 0.70 0.55 0.00 0.25 0.00 0.00 0.00 179.25 180.75 1g3i n THR 84 N -4.18 0.80 0.09 0.00 -2.24 -1.26 -2.70 114.28 104.79 1g3i n THR 84 Ca 0.01 0.16 0.21 0.00 -2.27 0.00 0.00 64.05 62.16 1g3i n THR 84 Cb 0.35 -1.04 0.72 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.50 -0.78 3.64 -1.74 -1.38 116.57 115.80 1g3i h LYS 85 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1g3i h LYS 85 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1g3i h LYS 85 CO 0.00 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.37 1g3i n PHE 86 N -3.59 0.97 0.00 1.91 3.01 -1.10 -4.95 117.46 113.71 1g3i n PHE 86 Ca 0.08 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.94 1g3i n PHE 86 Cb 0.69 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 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 0.76 0.00 -2.52 4.37 -1.04 -0.52 -4.87 114.28 110.45 1g3i n THR 87 Ca 0.20 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.79 1g3i n THR 87 Cb 0.69 -0.09 -0.02 0.00 -1.82 0.00 0.00 70.33 69.08 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 -0.57 3.53 0.28 -2.82 2.56 -1.26 -5.09 118.70 115.33 1g3i s GLU 95 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 54.97 55.41 1g3i s GLU 95 Cb 0.00 -4.01 0.39 0.00 2.00 0.00 0.00 34.13 32.51 1g3i s GLU 95 CO 0.00 -1.65 1.78 -0.24 -0.56 0.00 0.00 175.26 174.59 1g3i h VAL 96 N 6.26 1.24 0.00 3.70 3.04 -1.97 -2.20 116.25 126.32 1g3i h VAL 96 Ca -0.25 -0.98 0.00 0.00 -1.01 0.00 0.00 66.70 64.46 1g3i h VAL 96 Cb 1.07 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1g3i h VAL 96 CO 1.16 0.34 0.14 0.44 -1.01 0.00 0.00 177.57 178.64 1g3i h ASP 97 N 0.68 0.00 -0.97 3.17 3.32 -2.02 -1.62 116.42 118.98 1g3i h ASP 97 Ca 0.13 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.27 1g3i h ASP 97 Cb 0.44 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 1g3i h ASP 97 CO 0.02 0.00 0.62 0.77 -1.72 0.00 0.00 179.24 178.93 1g3i h SER 98 N 0.00 0.93 -0.51 6.45 4.64 -1.82 -1.91 113.55 121.33 1g3i h SER 98 Ca 0.00 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.44 1g3i h SER 98 Cb 0.28 -0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.09 1g3i h SER 98 CO 0.00 0.55 -0.35 0.40 -0.87 0.00 0.00 176.83 176.57 1g3i h ILE 99 N 1.03 0.18 0.00 0.95 2.04 -1.50 0.99 117.51 121.21 1g3i h ILE 99 Ca 0.44 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.25 1g3i h ILE 99 Cb 0.33 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1g3i h ILE 99 CO -0.20 0.00 -0.27 0.40 0.00 0.00 0.00 178.15 178.08 1g3i h ILE 100 N -0.21 1.06 0.46 -0.67 1.08 -1.62 -1.36 117.51 116.25 1g3i h ILE 100 Ca 0.20 -0.97 -0.02 0.00 -0.39 0.00 0.00 64.86 63.68 1g3i h ILE 100 Cb 0.55 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 1g3i h ILE 100 CO -0.62 0.26 -0.22 -0.09 -0.69 0.00 0.00 178.15 176.79 1g3i h ARG 101 N 0.00 -0.59 -0.95 2.37 2.43 0.14 -2.22 114.38 115.56 1g3i h ARG 101 Ca -0.00 0.04 0.24 0.00 -0.81 0.00 0.00 59.98 59.45 1g3i h ARG 101 Cb 0.52 0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 30.08 1g3i h ARG 101 CO 0.04 -0.39 0.49 -0.44 -1.51 0.00 0.00 179.97 178.15 1g3i h ASP 102 N -0.81 0.49 0.47 -3.80 3.45 0.62 -0.57 116.42 116.27 1g3i h ASP 102 Ca -0.06 0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.53 1g3i h ASP 102 Cb 0.47 0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.31 1g3i h ASP 102 CO 0.10 0.03 -0.47 0.25 -1.57 0.00 0.00 179.24 177.58 1g3i h LEU 103 N 0.47 -1.28 -0.83 1.55 5.85 -1.20 0.88 115.31 120.74 1g3i h LEU 103 Ca 0.61 0.10 0.18 0.00 0.84 0.00 0.00 57.88 59.62 1g3i h LEU 103 Cb 1.18 0.42 -0.11 0.00 0.37 0.00 0.00 40.66 42.52 1g3i h LEU 103 CO -0.51 -0.62 0.33 0.74 -0.34 0.00 0.00 178.44 178.04 1g3i h THR 104 N -0.94 0.54 -0.63 1.05 2.02 -0.51 0.28 112.91 114.72 1g3i h THR 104 Ca -0.06 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 67.04 1g3i h THR 104 Cb 0.81 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1g3i h THR 104 CO -0.05 0.07 0.33 0.44 0.37 0.00 0.00 175.52 176.68 1g3i h ASP 105 N 0.41 0.47 -0.33 4.18 5.19 -0.36 -0.23 116.42 125.75 1g3i h ASP 105 Ca 0.49 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.92 1g3i h ASP 105 Cb 0.86 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1g3i h ASP 105 CO -0.49 0.30 0.15 -1.28 -3.12 0.00 0.00 179.24 174.80 1g3i h SER 106 N 0.61 0.44 -1.00 6.45 0.87 0.19 -2.81 113.55 118.30 1g3i h SER 106 Ca 0.29 -0.14 0.35 0.00 -1.23 0.00 0.00 61.79 61.05 1g3i h SER 106 Cb 0.21 -0.11 -0.16 0.00 -0.44 0.00 0.00 62.40 61.90 1g3i h SER 106 CO -0.20 0.46 0.55 0.00 -0.53 0.00 0.00 176.83 177.11 1g3i h ALA 107 N 1.00 1.99 -1.19 6.23 0.00 0.99 -2.13 119.26 126.16 1g3i h ALA 107 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1g3i h ALA 107 Cb 0.15 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1g3i h ALA 107 CO -0.01 -0.68 0.00 -1.33 0.00 0.00 0.00 179.25 177.22 1g3i n MET 108 N -5.12 0.00 -0.18 0.00 2.00 -0.92 -1.30 117.12 111.59 1g3i n MET 108 Ca 0.33 0.30 0.12 0.00 0.00 0.00 0.00 57.70 58.46 1g3i n MET 108 Cb 1.06 -1.23 0.24 0.00 0.00 0.00 0.00 33.22 33.29 1g3i n MET 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1g3i n LYS 109 N -1.41 -0.04 0.00 0.03 4.81 -0.89 0.06 118.16 120.73 1g3i n LYS 109 Ca 0.00 0.79 -0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1g3i n LYS 109 Cb 0.00 -1.33 -0.00 0.00 0.02 0.00 0.00 35.03 33.72 1g3i n LYS 109 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1g3i h LEU 110 N 0.00 -0.01 -0.40 3.14 5.85 -1.26 -0.74 115.31 121.89 1g3i h LEU 110 Ca 0.39 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.20 1g3i h LEU 110 Cb 0.94 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.88 1g3i h LEU 110 CO -0.47 -0.00 -0.30 0.58 -0.34 0.00 0.00 178.44 177.90 1g3i h VAL 111 N -0.01 0.26 -0.23 1.05 2.07 0.96 -2.82 116.25 117.53 1g3i h VAL 111 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1g3i h VAL 111 Cb 0.01 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 1g3i h VAL 111 CO 0.00 0.00 -0.27 -0.09 0.02 0.00 0.00 177.57 177.23 1g3i h ARG 112 N -0.23 -0.16 -0.96 1.57 2.43 -0.41 -1.88 114.38 114.73 1g3i h ARG 112 Ca 0.18 0.01 0.30 0.00 -0.81 0.00 0.00 59.98 59.66 1g3i h ARG 112 Cb 0.52 0.04 -0.17 0.00 -0.42 0.00 0.00 29.97 29.94 1g3i h ARG 112 CO -0.53 -0.11 0.25 0.37 -1.51 0.00 0.00 179.97 178.44 1g3i h GLN 113 N -0.17 0.08 -0.27 0.20 4.15 -0.88 0.75 115.11 118.97 1g3i h GLN 113 Ca 0.04 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1g3i h GLN 113 Cb 0.28 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1g3i h GLN 113 CO -0.31 0.05 0.00 0.00 -1.93 0.00 0.00 178.83 176.65 1g3i n GLN 114 N -5.33 1.53 -0.11 1.69 10.64 -0.75 -3.73 117.38 121.32 1g3i n GLN 114 Ca 0.27 -0.75 -0.20 0.00 -1.83 0.00 0.00 57.00 54.48 1g3i n GLN 114 Cb 0.89 -1.21 -0.09 0.00 -0.86 0.00 0.00 30.24 28.97 1g3i n GLN 114 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1g3i n GLU 115 N 0.11 0.49 0.00 2.61 4.07 0.26 -4.28 120.64 123.89 1g3i n GLU 115 Ca 0.07 0.17 0.05 0.00 -0.06 0.00 0.00 57.16 57.39 1g3i n GLU 115 Cb 0.20 -1.34 0.30 0.00 -0.06 0.00 0.00 31.44 30.55 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 -3.65 0.00 0.07 6.31 -6.64 -1.02 -0.54 119.36 113.88 1g3i n ILE 116 Ca -0.41 0.00 -0.23 0.00 -1.77 0.00 0.00 62.75 60.34 1g3i n ILE 116 Cb 0.84 -0.81 -0.15 0.00 -1.44 0.00 0.00 39.64 38.08 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 2.63 0.15 0.00 -1.28 0.00 -1.75 -3.23 119.26 115.78 1g3i h ALA 117 Ca 0.00 -1.12 -0.34 0.00 0.00 0.00 0.00 54.91 53.45 1g3i h ALA 117 Cb 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1g3i h ALA 117 CO 0.00 0.98 -2.10 0.36 0.00 0.00 0.00 179.25 178.49 1g3i n LYS 118 N -3.64 0.67 -0.04 0.00 -0.00 -0.78 -4.09 118.16 110.27 1g3i n LYS 118 Ca -0.25 0.13 0.01 0.00 -0.00 0.00 0.00 58.31 58.20 1g3i n LYS 118 Cb 1.05 -1.64 0.02 0.00 -0.00 0.00 0.00 35.03 34.47 1g3i n LYS 118 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1g3i n ASN 119 N -2.92 0.79 -0.11 -5.58 2.85 0.30 -3.42 115.26 107.17 1g3i n ASN 119 Ca -0.27 -2.03 -0.18 0.00 -0.11 0.00 0.00 54.58 51.99 1g3i n ASN 119 Cb 1.10 -0.28 -0.10 0.00 1.24 0.00 0.00 39.78 41.75 1g3i n ASN 119 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1g3i n ARG 120 N -0.16 0.53 0.05 1.20 3.00 -1.22 -4.92 116.66 115.14 1g3i n ARG 120 Ca 0.02 0.15 0.08 0.00 -0.00 0.00 0.00 57.85 58.10 1g3i n ARG 120 Cb 0.18 -1.40 0.35 0.00 0.00 0.00 0.00 32.46 31.59 1g3i n ARG 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1g3i n ALA 121 N -3.41 1.59 -1.04 5.13 0.00 -1.22 -5.12 120.51 116.44 1g3i n ALA 121 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1g3i n ALA 121 Cb 0.89 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1g3i n ALA 121 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1g3i n ILE 235 N -1.75 0.00 -0.39 0.00 5.41 -1.26 -5.15 119.36 116.22 1g3i n ILE 235 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1g3i n ILE 235 Cb 0.17 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 1g3i n ILE 235 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1g3i n ASN 236 N 0.00 -3.04 0.30 4.38 5.15 -1.26 -4.75 115.26 116.05 1g3i n ASN 236 Ca 0.00 0.30 -0.13 0.00 -0.60 0.00 0.00 54.58 54.15 1g3i n ASN 236 Cb 0.00 -0.37 -0.06 0.00 -0.53 0.00 0.00 39.78 38.82 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 0.47 -0.79 -0.60 1.20 0.11 -2.06 -3.33 132.00 126.99 1g3i h PRO 237 Ca 0.00 0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.22 1g3i h PRO 237 Cb 0.00 0.18 -0.07 0.00 0.11 0.00 0.00 31.00 31.22 1g3i h PRO 237 CO 0.00 -0.53 -0.35 0.39 -0.21 0.00 0.00 178.00 177.30 1g3i n GLU 238 N -5.32 -0.26 -0.31 1.05 -0.58 -1.26 -0.88 120.64 113.07 1g3i n GLU 238 Ca -0.10 1.24 0.14 0.00 -0.42 0.00 0.00 57.16 58.03 1g3i n GLU 238 Cb 0.32 -1.84 0.33 0.00 -0.57 0.00 0.00 31.44 29.68 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 0.42 0.45 3.49 4.57 -1.86 -0.87 114.58 120.78 1g3i h GLU 239 Ca 0.10 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1g3i h GLU 239 Cb 0.25 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1g3i h GLU 239 CO -0.57 0.28 -0.22 -0.07 -1.18 0.00 0.00 179.01 177.26 1g3i h LEU 240 N 0.43 -0.52 -0.48 1.64 4.07 -1.12 0.28 115.31 119.61 1g3i h LEU 240 Ca 0.58 0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.64 1g3i h LEU 240 Cb 1.11 0.13 -0.10 0.00 1.08 0.00 0.00 40.66 42.88 1g3i h LEU 240 CO -0.52 -0.37 -0.41 0.11 -1.08 0.00 0.00 178.44 176.17 1g3i h LYS 241 N -0.60 -0.26 -0.33 1.13 1.57 -0.98 0.70 116.57 117.79 1g3i h LYS 241 Ca -0.06 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1g3i h LYS 241 Cb 0.46 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1g3i h LYS 241 CO 0.10 -0.17 0.16 0.37 -0.57 0.00 0.00 179.45 179.34 1g3i h GLN 242 N -0.27 0.45 0.00 3.15 5.75 -1.18 0.26 115.11 123.27 1g3i h GLN 242 Ca 0.17 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1g3i h GLN 242 Cb 0.57 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.03 1g3i h GLN 242 CO -0.62 0.35 0.00 0.87 -2.65 0.00 0.00 178.83 176.78 1g3i h LYS 243 N 0.46 0.00 0.01 1.69 1.57 0.26 0.59 116.57 121.15 1g3i h LYS 243 Ca 0.12 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1g3i h LYS 243 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1g3i h LYS 243 CO -0.02 0.00 -0.42 0.00 -0.57 0.00 0.00 179.45 178.44 1g3i h ALA 244 N 2.05 0.07 -0.12 3.86 0.00 0.15 -2.99 119.26 122.28 1g3i h ALA 244 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.21 1g3i h ALA 244 Cb 0.82 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1g3i h ALA 244 CO 0.00 0.23 -0.41 0.82 0.00 0.00 0.00 179.25 179.89 1g3i h ILE 245 N -0.95 0.00 -0.65 0.00 2.04 -0.47 0.30 117.51 117.78 1g3i h ILE 245 Ca -0.11 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.84 1g3i h ILE 245 Cb 1.14 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 1g3i h ILE 245 CO -0.05 0.00 -0.29 0.47 0.00 0.00 0.00 178.15 178.28 1g3i n ASP 246 N -4.71 -0.50 -0.08 1.72 10.43 0.19 0.10 116.55 123.70 1g3i n ASP 246 Ca -0.04 1.14 -0.07 0.00 2.57 0.00 0.00 54.79 58.38 1g3i n ASP 246 Cb 0.28 -0.23 -0.00 0.00 1.84 0.00 0.00 41.12 43.01 1g3i n ASP 246 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1g3i h ALA 247 N 0.72 0.32 -0.70 2.24 0.00 -0.36 0.27 119.26 121.76 1g3i h ALA 247 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1g3i h ALA 247 Cb 0.35 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1g3i h ALA 247 CO -0.63 -0.32 0.00 0.28 0.00 0.00 0.00 179.25 178.57 1g3i n VAL 248 N -5.05 0.00 -0.32 0.00 0.31 0.29 0.41 118.33 113.96 1g3i n VAL 248 Ca -0.00 1.38 0.29 0.00 -0.01 0.00 0.00 64.34 66.01 1g3i n VAL 248 Cb 0.12 -2.33 0.55 0.00 -0.91 0.00 0.00 33.84 31.26 1g3i n VAL 248 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1g3i h GLU 249 N 0.00 0.01 0.00 5.55 5.08 -1.04 -1.30 114.58 122.88 1g3i h GLU 249 Ca 0.00 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1g3i h GLU 249 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1g3i h GLU 249 CO 0.00 0.01 -0.53 1.96 -1.00 0.00 0.00 179.01 179.45 1g3i h GLN 250 N 0.01 0.00 -1.23 2.33 1.08 -0.29 -3.38 115.11 113.64 1g3i h GLN 250 Ca 0.81 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 57.55 1g3i h GLN 250 Cb 2.10 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 29.12 1g3i h GLN 250 CO -0.78 0.99 -0.99 0.09 -0.95 0.00 0.00 178.83 177.18 1g3i n ASN 251 N -4.54 2.90 -4.82 1.46 3.02 0.17 -4.87 115.26 108.57 1g3i n ASN 251 Ca -0.19 -3.16 -0.38 0.00 -0.03 0.00 0.00 54.58 50.82 1g3i n ASN 251 Cb 0.56 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 1g3i n ASN 251 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g3i s GLY 252 N -3.31 2.56 -0.09 7.41 0.00 -0.51 -3.65 107.32 109.73 1g3i s GLY 252 Ca 0.36 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.99 1g3i s GLY 252 CO -0.06 0.33 -0.12 -0.42 0.00 0.00 0.00 173.10 172.84 1g3i s ILE 253 N -0.96 3.24 -0.10 0.90 -1.09 -0.19 -0.64 121.20 122.37 1g3i s ILE 253 Ca 0.26 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 1g3i s ILE 253 Cb -0.18 -2.32 0.02 0.00 -1.58 0.00 0.00 42.46 38.40 1g3i s ILE 253 CO 0.16 0.56 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.62 1g3i s VAL 254 N -0.32 1.24 -0.27 2.92 1.01 -0.46 -2.64 120.40 121.88 1g3i s VAL 254 Ca 0.03 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1g3i s VAL 254 Cb -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1g3i s VAL 254 CO 0.03 0.39 0.04 0.12 0.00 0.00 0.00 175.10 175.68 1g3i s PHE 255 N 1.13 3.10 -0.65 5.22 5.36 0.25 -0.56 117.98 131.83 1g3i s PHE 255 Ca -0.05 -0.96 -0.16 0.00 -0.96 0.00 0.00 56.93 54.80 1g3i s PHE 255 Cb -0.14 -2.21 0.15 0.00 -0.34 0.00 0.00 43.02 40.49 1g3i s PHE 255 CO -0.02 -0.56 0.62 0.42 -1.46 0.00 0.00 175.22 174.22 1g3i s ILE 256 N 1.49 5.28 0.62 3.12 1.01 0.64 -1.37 121.20 131.99 1g3i s ILE 256 Ca 0.03 -1.74 -0.15 0.00 0.00 0.00 0.00 60.65 58.79 1g3i s ILE 256 Cb -0.16 -4.41 -0.02 0.00 0.01 0.00 0.00 42.46 37.87 1g3i s ILE 256 CO 0.01 -0.97 1.06 -0.62 0.00 0.00 0.00 174.94 174.42 1g3i s ASP 257 N 3.16 5.62 -1.25 3.58 2.15 -0.49 -0.71 116.67 128.72 1g3i s ASP 257 Ca 0.09 1.79 -0.02 0.00 0.43 0.00 0.00 52.55 54.85 1g3i s ASP 257 Cb -0.22 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 39.89 1g3i s ASP 257 CO -0.01 -1.28 0.05 -0.62 -0.17 0.00 0.00 175.17 173.15 1g3i n GLU 258 N -2.31 -0.93 0.24 4.34 1.02 -1.13 -2.01 120.64 119.86 1g3i n GLU 258 Ca 0.09 0.08 0.16 0.00 -0.02 0.00 0.00 57.16 57.46 1g3i n GLU 258 Cb 0.53 -2.93 0.70 0.00 -0.02 0.00 0.00 31.44 29.72 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 -1.15 0.00 0.00 -3.67 2.10 -1.45 -0.56 117.51 112.78 1g3i h ILE 259 Ca -0.52 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.09 1g3i h ILE 259 Cb 1.11 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1g3i h ILE 259 CO 0.58 0.00 0.00 -2.24 -1.08 0.00 0.00 178.15 175.41 1g3i h ASP 260 N 0.00 0.00 0.54 2.19 2.03 -1.87 -2.21 116.42 117.10 1g3i h ASP 260 Ca 0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.11 1g3i h ASP 260 Cb 0.37 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.86 1g3i h ASP 260 CO 0.00 0.00 -0.85 0.11 -1.03 0.00 0.00 179.24 177.47 1g3i h LYS 261 N 0.00 0.21 -1.16 4.15 1.79 -1.46 -3.16 116.57 116.96 1g3i h LYS 261 Ca 0.00 -0.23 -0.34 0.00 -2.18 0.00 0.00 60.65 57.91 1g3i h LYS 261 Cb 0.41 0.06 -0.18 0.00 -1.58 0.00 0.00 32.23 30.95 1g3i h LYS 261 CO 0.00 0.95 0.43 0.44 -1.08 0.00 0.00 179.45 180.19 1g3i n ILE 262 N -3.68 2.53 -2.87 1.86 -5.35 -0.83 -4.84 119.36 106.18 1g3i n ILE 262 Ca -0.04 -1.41 -0.06 0.00 -0.27 0.00 0.00 62.75 60.97 1g3i n ILE 262 Cb 0.79 -0.92 0.02 0.00 -1.74 0.00 0.00 39.64 37.80 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 -2.88 3.33 0.00 0.00 3.01 -1.26 -4.53 119.74 117.41 1g3i s LYS 264 Ca 0.19 -0.83 0.00 0.00 -1.01 0.00 0.00 55.97 54.32 1g3i s LYS 264 Cb -0.01 -2.83 0.00 0.00 -1.01 0.00 0.00 37.83 33.97 1g3i s LYS 264 CO 0.12 0.40 0.00 0.36 0.51 0.00 0.00 175.35 176.74 1g3i n LYS 265 N -1.39 0.00 0.00 1.68 2.85 -1.26 -4.80 118.16 115.24 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 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 1g3i n LYS 265 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1g3i n GLY 270 N 0.00 0.00 3.78 2.58 0.00 -1.26 -5.14 105.19 105.15 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 -4.70 120.51 119.11 1g3i n ALA 271 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1g3i n ALA 271 Cb 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.95 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 1.20 0.02 0.00 -0.08 -1.26 -3.78 116.55 112.64 1g3i n ASP 272 Ca 0.00 0.15 0.07 0.00 -1.51 0.00 0.00 54.79 53.50 1g3i n ASP 272 Cb 0.00 -0.07 0.30 0.00 2.34 0.00 0.00 41.12 43.69 1g3i n ASP 272 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1g3i n VAL 273 N -3.13 1.10 0.10 5.18 0.24 -1.26 -0.50 118.33 120.06 1g3i n VAL 273 Ca -0.31 0.28 -0.05 0.00 -2.04 0.00 0.00 64.34 62.23 1g3i n VAL 273 Cb 1.07 -1.09 0.06 0.00 -1.47 0.00 0.00 33.84 32.41 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 0.10 0.00 -1.34 0.02 -1.94 -2.86 113.55 107.53 1g3i h SER 274 Ca 0.00 -0.08 -0.24 0.00 -0.84 0.00 0.00 61.79 60.63 1g3i h SER 274 Cb 0.23 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1g3i h SER 274 CO 0.00 0.82 -1.36 0.54 -1.14 0.00 0.00 176.83 175.69 1g3i n ARG 275 N -3.69 0.56 0.00 3.45 1.74 0.27 -3.87 116.66 115.11 1g3i n ARG 275 Ca -0.02 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1g3i n ARG 275 Cb 0.72 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 -4.42 0.00 -0.10 5.56 2.13 0.34 -0.26 120.64 123.89 1g3i n GLU 276 Ca -0.33 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.25 1g3i n GLU 276 Cb 0.68 -1.34 -0.11 0.00 0.27 0.00 0.00 31.44 30.94 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 -0.82 -0.60 0.38 8.31 0.00 -1.08 -4.07 105.19 107.31 1g3i n GLY 277 Ca 0.00 -0.07 0.22 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.68 0.44 0.41 1.61 2.07 -0.74 0.98 116.25 120.34 1g3i h VAL 278 Ca -0.52 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1g3i h VAL 278 Cb 1.62 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1g3i h VAL 278 CO -0.22 0.08 -0.34 1.56 0.02 0.00 0.00 177.57 178.67 1g3i h GLN 279 N 0.42 -0.71 -0.76 1.57 4.20 -1.73 0.30 115.11 118.40 1g3i h GLN 279 Ca 0.67 0.05 0.22 0.00 0.06 0.00 0.00 58.65 59.64 1g3i h GLN 279 Cb 1.55 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 29.46 1g3i h GLN 279 CO -0.44 -0.47 0.74 0.00 -0.67 0.00 0.00 178.83 177.98 1g3i h ARG 280 N -0.74 0.00 0.01 1.46 2.47 -1.03 1.15 114.38 117.71 1g3i h ARG 280 Ca -0.05 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.48 1g3i h ARG 280 Cb 0.62 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 1g3i h ARG 280 CO -0.00 0.00 -0.88 -0.44 0.56 0.00 0.00 179.97 179.21 1g3i h ASP 281 N 0.00 0.08 1.44 7.04 3.32 0.73 -3.24 116.42 125.79 1g3i h ASP 281 Ca 0.36 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1g3i h ASP 281 Cb 1.83 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 41.34 1g3i h ASP 281 CO -0.00 0.91 -0.58 -0.07 -1.72 0.00 0.00 179.24 177.78 1g3i h LEU 282 N 0.03 0.00 -0.44 1.55 3.38 0.48 -3.39 115.31 116.92 1g3i h LEU 282 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1g3i h LEU 282 Cb 1.54 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.22 1g3i h LEU 282 CO 0.12 0.37 -0.37 -0.07 0.09 0.00 0.00 178.44 178.59 1g3i h LEU 283 N 0.00 -1.29 -1.40 1.67 3.38 -1.32 -0.41 115.31 115.94 1g3i h LEU 283 Ca -0.03 0.18 0.47 0.00 0.09 0.00 0.00 57.88 58.60 1g3i h LEU 283 Cb 1.31 0.55 -0.14 0.00 0.09 0.00 0.00 40.66 42.47 1g3i h LEU 283 CO 0.04 -0.21 0.88 -0.65 0.09 0.00 0.00 178.44 178.60 1g3i h PRO 284 N -0.13 0.02 0.28 1.13 0.11 -1.78 1.18 132.00 132.81 1g3i h PRO 284 Ca 0.07 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1g3i h PRO 284 Cb 0.33 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1g3i h PRO 284 CO -0.49 0.01 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.11 1g3i h LEU 285 N 0.02 -0.32 0.08 2.35 4.07 -1.37 -1.40 115.31 118.75 1g3i h LEU 285 Ca 0.87 0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.86 1g3i h LEU 285 Cb 2.79 0.08 -0.05 0.00 1.08 0.00 0.00 40.66 44.56 1g3i h LEU 285 CO -0.46 0.02 -0.49 0.58 -1.08 0.00 0.00 178.44 177.02 1g3i h VAL 286 N -0.87 0.06 0.00 1.22 2.07 -0.48 -1.27 116.25 116.97 1g3i h VAL 286 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1g3i h VAL 286 Cb 0.29 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1g3i h VAL 286 CO 0.06 0.00 0.03 -0.33 0.02 0.00 0.00 177.57 177.35 1g3i h GLU 287 N -0.69 0.00 -0.59 1.57 5.08 0.12 -3.46 114.58 116.61 1g3i h GLU 287 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1g3i h GLU 287 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1g3i h GLU 287 CO -0.30 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.12 1g3i n GLY 288 N -1.21 -0.28 0.00 -3.84 0.00 -0.48 -4.89 105.19 94.50 1g3i n GLY 288 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.19 1.61 3.41 -0.77 -4.79 113.62 108.89 1g3i n SER 289 Ca 0.00 -0.48 -0.22 0.00 -0.26 0.00 0.00 58.87 57.91 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 -2.46 1.35 0.01 6.66 2.01 -1.26 -1.35 115.64 120.60 1g3i s THR 290 Ca 0.00 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 60.92 1g3i s THR 290 Cb 0.00 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 1g3i s THR 290 CO 0.00 0.08 -0.06 0.68 -0.69 0.00 0.00 174.62 174.64 1g3i s VAL 291 N -0.84 0.44 -0.09 3.82 -7.23 -0.82 -5.00 120.40 110.68 1g3i s VAL 291 Ca 0.04 -0.46 -0.22 0.00 -1.81 0.00 0.00 61.98 59.53 1g3i s VAL 291 Cb -0.08 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 1g3i s VAL 291 CO 0.02 -0.03 0.63 -0.55 -0.31 0.00 0.00 175.10 174.86 1g3i s SER 292 N -0.53 6.88 0.31 4.85 0.15 -1.26 -2.55 113.70 121.54 1g3i s SER 292 Ca -0.01 1.05 0.10 0.00 0.70 0.00 0.00 55.95 57.79 1g3i s SER 292 Cb -0.04 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1g3i s SER 292 CO -0.00 -0.10 -0.08 0.42 1.20 0.00 0.00 173.24 174.68 1g3i s THR 293 N 0.85 2.67 -1.83 6.45 -4.23 0.20 -4.93 115.64 114.82 1g3i s THR 293 Ca 0.34 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1g3i s THR 293 Cb -0.17 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1g3i s THR 293 CO 0.15 -0.30 0.37 2.29 -0.54 0.00 0.00 174.62 176.59 1g3i n LYS 294 N -0.80 0.41 0.00 3.99 2.85 -1.26 -0.95 118.16 122.39 1g3i n LYS 294 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1g3i n LYS 294 Cb 0.61 -1.03 0.00 0.00 -0.65 0.00 0.00 35.03 33.96 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 -5.12 115.22 122.31 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 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 0.33 0.85 3.60 -1.41 0.00 -0.13 -4.79 105.19 103.65 1g3i n GLY 296 Ca 0.00 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.44 3.99 0.03 1.61 -1.94 -1.26 -0.63 119.30 119.65 1g3i s MET 297 Ca 0.00 -0.11 0.05 0.00 -1.71 0.00 0.00 55.69 53.92 1g3i s MET 297 Cb 0.00 -3.65 -0.03 0.00 2.01 0.00 0.00 34.83 33.15 1g3i s MET 297 CO 0.00 -0.23 -0.12 0.14 -0.01 0.00 0.00 175.02 174.80 1g3i s VAL 298 N 1.91 3.26 -0.20 -6.03 -7.23 -1.06 -5.00 120.40 106.07 1g3i s VAL 298 Ca 0.12 -0.99 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 1g3i s VAL 298 Cb -0.16 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1g3i s VAL 298 CO 0.10 0.35 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.66 1g3i s LYS 299 N -1.49 3.49 0.08 4.82 1.02 -1.26 -1.94 119.74 124.47 1g3i s LYS 299 Ca 0.16 -0.59 0.19 0.00 0.02 0.00 0.00 55.97 55.76 1g3i s LYS 299 Cb -0.11 -2.98 0.78 0.00 -0.52 0.00 0.00 37.83 35.01 1g3i s LYS 299 CO 0.07 -0.03 1.59 0.25 -0.92 0.00 0.00 175.35 176.31 1g3i n THR 300 N 4.32 0.85 -0.33 2.17 -2.24 -0.46 -3.99 114.28 114.60 1g3i n THR 300 Ca -0.18 0.20 0.08 0.00 -2.27 0.00 0.00 64.05 61.88 1g3i n THR 300 Cb 0.52 -0.99 0.17 0.00 -2.10 0.00 0.00 70.33 67.92 1g3i n THR 300 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1g3i n ASP 301 N -1.75 -0.27 -1.02 3.42 9.92 -1.26 -1.56 116.55 124.03 1g3i n ASP 301 Ca 0.03 1.58 0.08 0.00 -0.53 0.00 0.00 54.79 55.96 1g3i n ASP 301 Cb 0.21 -0.51 0.25 0.00 -0.64 0.00 0.00 41.12 40.43 1g3i n ASP 301 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1g3i n HIS 302 N -5.47 0.87 -2.22 1.24 8.25 -1.26 -4.70 115.22 111.95 1g3i n HIS 302 Ca 0.17 -0.59 -0.41 0.00 -0.26 0.00 0.00 57.72 56.62 1g3i n HIS 302 Cb 0.53 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.51 3.22 -0.20 1.59 -1.09 -0.60 -4.70 121.20 117.91 1g3i s ILE 303 Ca 0.37 1.00 -0.24 0.00 -2.23 0.00 0.00 60.65 59.54 1g3i s ILE 303 Cb 0.23 -3.64 -0.01 0.00 -1.58 0.00 0.00 42.46 37.46 1g3i s ILE 303 CO 0.20 0.14 0.80 -0.22 -1.23 0.00 0.00 174.94 174.63 1g3i s LEU 304 N -0.04 4.14 -0.05 2.97 2.96 0.19 -4.86 118.68 123.99 1g3i s LEU 304 Ca 0.57 1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 55.54 1g3i s LEU 304 Cb -0.36 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1g3i s LEU 304 CO 0.38 -0.42 0.11 -0.36 -1.32 0.00 0.00 176.35 174.73 1g3i s PHE 305 N 2.35 3.41 -0.14 5.38 0.40 -1.26 -1.35 117.98 126.77 1g3i s PHE 305 Ca 0.36 0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 56.98 1g3i s PHE 305 Cb -0.16 -1.82 0.05 0.00 0.51 0.00 0.00 43.02 41.60 1g3i s PHE 305 CO 0.10 0.61 0.03 0.42 0.70 0.00 0.00 175.22 177.09 1g3i s ILE 306 N -1.14 0.35 -0.12 0.64 1.01 0.27 -2.01 121.20 120.21 1g3i s ILE 306 Ca 0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 1g3i s ILE 306 Cb -0.12 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1g3i s ILE 306 CO 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 174.94 175.07 1g3i s ALA 307 N 1.96 3.51 0.37 9.38 0.00 -0.35 -0.26 121.76 136.36 1g3i s ALA 307 Ca 0.02 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.32 1g3i s ALA 307 Cb -0.15 -1.75 -0.06 0.00 0.00 0.00 0.00 23.12 21.16 1g3i s ALA 307 CO -0.07 0.49 0.07 0.45 0.00 0.00 0.00 175.76 176.70 1g3i s SER 308 N -0.61 4.23 0.00 0.00 0.15 0.11 -0.40 113.70 117.18 1g3i s SER 308 Ca 0.11 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1g3i s SER 308 Cb -0.12 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1g3i s SER 308 CO 0.02 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1g3i n GLY 309 N -1.05 2.76 0.13 9.45 0.00 -0.94 -1.60 105.19 113.93 1g3i n GLY 309 Ca -0.03 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 0.06 -5.75 4.61 0.00 -1.87 -1.78 119.26 114.54 1g3i h ALA 310 Ca 0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 54.91 54.02 1g3i h ALA 310 Cb 0.00 0.03 0.14 0.00 0.00 0.00 0.00 17.79 17.96 1g3i h ALA 310 CO 0.00 0.28 -0.82 1.19 0.00 0.00 0.00 179.25 179.91 1g3i n PHE 311 N -4.29 -2.16 0.02 0.00 3.72 -1.26 -4.30 117.46 109.19 1g3i n PHE 311 Ca -0.10 0.87 -0.08 0.00 -0.05 0.00 0.00 57.45 58.08 1g3i n PHE 311 Cb 0.63 -4.60 -0.13 0.00 -0.94 0.00 0.00 39.48 34.44 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 -1.71 0.01 0.00 -1.08 3.07 -1.94 -3.41 115.11 110.05 1g3i h GLN 312 Ca -0.60 -0.02 -0.34 0.00 0.09 0.00 0.00 58.65 57.77 1g3i h GLN 312 Cb 1.34 0.01 -0.05 0.00 0.08 0.00 0.00 27.48 28.86 1g3i h GLN 312 CO 0.50 0.77 -2.11 1.33 0.09 0.00 0.00 178.83 179.41 1g3i n VAL 313 N -3.21 1.45 -3.67 1.86 0.24 -1.26 -5.00 118.33 108.74 1g3i n VAL 313 Ca -0.09 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.67 1g3i n VAL 313 Cb 1.00 -1.96 -0.04 0.00 -1.47 0.00 0.00 33.84 31.37 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 -2.57 3.80 0.36 2.33 0.00 -1.26 -5.09 121.76 119.33 1g3i s ALA 314 Ca -0.35 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 1g3i s ALA 314 Cb 0.12 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 1g3i s ALA 314 CO 0.45 0.58 0.65 1.03 0.00 0.00 0.00 175.76 178.48 1g3i s ARG 315 N -2.90 3.65 0.56 0.00 0.52 -1.26 -4.52 118.95 114.98 1g3i s ARG 315 Ca 0.40 0.14 0.35 0.00 -0.52 0.00 0.00 55.73 56.10 1g3i s ARG 315 Cb -0.12 -2.53 1.59 0.00 0.52 0.00 0.00 34.95 34.42 1g3i s ARG 315 CO 0.26 0.07 2.05 -1.35 0.02 0.00 0.00 175.30 176.35 1g3i h PRO 316 N 1.23 0.00 -0.84 3.54 0.11 -1.98 -1.83 132.00 132.23 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1g3i h PRO 316 CO 0.64 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 1g3i n SER 317 N -3.01 0.96 -0.08 -2.05 3.41 -1.26 -1.46 113.62 110.12 1g3i n SER 317 Ca -0.00 -1.21 0.01 0.00 -0.26 0.00 0.00 58.87 57.41 1g3i n SER 317 Cb 0.24 -0.30 0.01 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.35 1.26 -4.91 4.04 9.92 -0.69 -5.02 116.55 121.50 1g3i n ASP 318 Ca 0.00 -1.17 -0.28 0.00 -0.53 0.00 0.00 54.79 52.81 1g3i n ASP 318 Cb 0.20 -0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.74 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 -0.24 2.73 0.18 0.64 1.43 -0.54 -4.30 118.68 118.57 1g3i s LEU 319 Ca 0.03 0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 1g3i s LEU 319 Cb 0.02 -3.31 -0.09 0.00 0.03 0.00 0.00 46.19 42.84 1g3i s LEU 319 CO 0.03 -1.66 1.35 0.27 0.23 0.00 0.00 176.35 176.57 1g3i s ILE 320 N -3.38 3.16 0.29 -0.59 -4.36 -1.26 -4.71 121.20 110.36 1g3i s ILE 320 Ca 0.60 0.93 0.02 0.00 -0.26 0.00 0.00 60.65 61.94 1g3i s ILE 320 Cb -0.11 -3.59 0.34 0.00 1.25 0.00 0.00 42.46 40.35 1g3i s ILE 320 CO 0.47 0.12 1.62 -0.65 0.24 0.00 0.00 174.94 176.75 1g3i h PRO 321 N 5.69 0.12 -0.89 0.37 0.11 -1.96 0.31 132.00 135.75 1g3i h PRO 321 Ca -0.44 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.88 1g3i h PRO 321 Cb 1.21 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 1g3i h PRO 321 CO 0.80 0.08 0.39 0.93 -0.21 0.00 0.00 178.00 179.98 1g3i h GLU 322 N 0.13 0.38 0.10 1.05 3.07 -2.00 -1.98 114.58 115.33 1g3i h GLU 322 Ca 0.57 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 59.20 1g3i h GLU 322 Cb 1.17 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1g3i h GLU 322 CO -0.74 0.25 -1.01 1.25 -1.40 0.00 0.00 179.01 177.37 1g3i h LEU 323 N 0.40 0.34 -1.07 1.33 5.85 -0.92 -3.29 115.31 117.94 1g3i h LEU 323 Ca 0.55 -0.88 0.02 0.00 0.84 0.00 0.00 57.88 58.42 1g3i h LEU 323 Cb 1.05 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1g3i h LEU 323 CO -0.53 1.45 0.68 -0.61 -0.34 0.00 0.00 178.44 179.09 1g3i h GLN 324 N -0.46 0.00 -0.01 1.25 4.15 0.04 0.55 115.11 120.62 1g3i h GLN 324 Ca -0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1g3i h GLN 324 Cb 1.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.28 1g3i h GLN 324 CO 0.07 0.00 -0.20 0.41 -1.93 0.00 0.00 178.83 177.17 1g3i n GLY 325 N -1.38 -0.06 0.94 2.39 0.00 -0.84 -4.04 105.19 102.20 1g3i n GLY 325 Ca 0.01 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.74 1g3i n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g3i n ARG 326 N 0.11 2.15 -3.35 1.61 5.12 0.19 -4.32 116.66 118.17 1g3i n ARG 326 Ca 0.06 -1.95 -0.27 0.00 -1.93 0.00 0.00 57.85 53.77 1g3i n ARG 326 Cb 0.31 -1.44 -0.07 0.00 -1.16 0.00 0.00 32.46 30.10 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 1.27 3.83 0.19 0.55 4.77 -0.86 -4.35 117.00 122.39 1g3i n LEU 327 Ca 0.15 -5.47 -0.14 0.00 -0.03 0.00 0.00 56.01 50.51 1g3i n LEU 327 Cb 0.55 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1g3i n LEU 327 CO 0.14 2.10 0.58 1.55 -1.33 0.00 0.00 177.39 180.44 1g3i h PRO 328 N 3.99 -0.47 -6.46 3.23 0.14 -1.75 -3.43 132.00 127.26 1g3i h PRO 328 Ca 0.19 0.03 -0.56 0.00 0.14 0.00 0.00 66.00 65.80 1g3i h PRO 328 Cb 0.64 0.11 -0.05 0.00 0.14 0.00 0.00 31.00 31.83 1g3i h PRO 328 CO 0.83 -0.18 1.10 0.42 0.14 0.00 0.00 178.00 180.31 1g3i s ILE 329 N -5.02 3.83 -0.17 -3.56 1.01 -1.08 -4.97 121.20 111.24 1g3i s ILE 329 Ca -0.15 0.79 -0.07 0.00 0.00 0.00 0.00 60.65 61.23 1g3i s ILE 329 Cb 0.03 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1g3i s ILE 329 CO 0.56 -0.89 0.07 -0.13 0.00 0.00 0.00 174.94 174.55 1g3i s ARG 330 N 5.24 3.84 0.03 2.79 1.81 -1.26 -0.30 118.95 131.09 1g3i s ARG 330 Ca 0.59 -0.32 0.04 0.00 -1.72 0.00 0.00 55.73 54.32 1g3i s ARG 330 Cb -0.13 -3.18 -0.02 0.00 -0.45 0.00 0.00 34.95 31.17 1g3i s ARG 330 CO 0.30 0.37 -0.11 0.54 -0.68 0.00 0.00 175.30 175.72 1g3i s VAL 331 N 0.09 0.84 0.00 3.52 0.11 -0.96 -4.96 120.40 119.05 1g3i s VAL 331 Ca 0.06 -0.83 0.05 0.00 -2.93 0.00 0.00 61.98 58.32 1g3i s VAL 331 Cb -0.12 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1g3i s VAL 331 CO 0.01 -0.04 -0.12 -0.70 -3.33 0.00 0.00 175.10 170.92 1g3i s GLU 332 N -0.97 2.38 0.10 1.54 2.12 -1.26 -1.56 118.70 121.06 1g3i s GLU 332 Ca -0.01 -0.80 0.08 0.00 0.36 0.00 0.00 54.97 54.60 1g3i s GLU 332 Cb -0.07 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 1g3i s GLU 332 CO 0.01 0.59 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.68 1g3i s LEU 333 N -1.25 2.92 0.27 2.70 1.02 -0.28 -4.44 118.68 119.62 1g3i s LEU 333 Ca 0.15 -0.44 0.06 0.00 0.02 0.00 0.00 54.13 53.92 1g3i s LEU 333 Cb -0.11 -1.73 -0.02 0.00 0.02 0.00 0.00 46.19 44.35 1g3i s LEU 333 CO 0.05 0.18 0.36 0.42 0.02 0.00 0.00 176.35 177.39 1g3i s THR 334 N -1.17 4.70 0.61 5.49 -4.23 -1.26 -4.48 115.64 115.30 1g3i s THR 334 Ca 0.20 -1.08 -0.18 0.00 -1.18 0.00 0.00 61.69 59.46 1g3i s THR 334 Cb -0.11 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 1g3i s THR 334 CO 0.12 -0.27 1.17 0.00 -0.54 0.00 0.00 174.62 175.09 1g3i s ALA 335 N -2.08 2.51 -0.01 3.99 0.00 -1.26 -4.79 121.76 120.12 1g3i s ALA 335 Ca 0.37 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 53.03 1g3i s ALA 335 Cb -0.09 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1g3i s ALA 335 CO 0.29 -1.18 0.43 -0.51 0.00 0.00 0.00 175.76 174.79 1g3i s LEU 336 N -4.30 4.45 0.34 0.00 1.02 -1.26 -5.08 118.68 113.84 1g3i s LEU 336 Ca 0.74 0.96 0.07 0.00 0.02 0.00 0.00 54.13 55.92 1g3i s LEU 336 Cb -0.27 -2.62 -0.01 0.00 0.02 0.00 0.00 46.19 43.31 1g3i s LEU 336 CO 0.35 0.28 0.47 -0.55 0.02 0.00 0.00 176.35 176.91 1g3i s SER 337 N -0.84 5.90 0.12 2.29 0.15 -1.26 -4.93 113.70 115.13 1g3i s SER 337 Ca 0.24 -0.23 -0.32 0.00 0.70 0.00 0.00 55.95 56.35 1g3i s SER 337 Cb -0.17 -1.17 -0.10 0.00 -1.71 0.00 0.00 66.02 62.87 1g3i s SER 337 CO 0.13 -0.45 1.57 0.00 1.20 0.00 0.00 173.24 175.69 1g3i h ALA 338 N 0.89 -0.78 -0.94 5.45 0.00 -1.97 0.91 119.26 122.83 1g3i h ALA 338 Ca -0.45 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 54.56 1g3i h ALA 338 Cb 1.26 0.81 -0.08 0.00 0.00 0.00 0.00 17.79 19.77 1g3i h ALA 338 CO 0.52 -1.02 0.60 0.00 0.00 0.00 0.00 179.25 179.35 1g3i h ALA 339 N -0.20 1.87 -0.08 0.00 0.00 -1.95 -0.89 119.26 118.01 1g3i h ALA 339 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1g3i h ALA 339 Cb 0.69 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1g3i h ALA 339 CO -0.32 -0.16 -0.05 -0.44 0.00 0.00 0.00 179.25 178.28 1g3i h ASP 340 N 0.66 0.18 -0.69 0.00 3.32 -1.02 -3.02 116.42 115.85 1g3i h ASP 340 Ca 0.49 -0.44 0.14 0.00 0.02 0.00 0.00 57.03 57.25 1g3i h ASP 340 Cb 0.88 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.28 1g3i h ASP 340 CO -0.25 0.57 0.17 -0.26 -1.72 0.00 0.00 179.24 177.76 1g3i h PHE 341 N -0.22 0.27 -1.19 4.55 0.04 0.20 0.34 116.94 120.92 1g3i h PHE 341 Ca 0.02 0.04 0.37 0.00 2.80 0.00 0.00 57.97 61.20 1g3i h PHE 341 Cb 0.51 -0.01 -0.12 0.00 2.20 0.00 0.00 35.95 38.53 1g3i h PHE 341 CO 0.07 -0.05 0.75 0.93 -0.60 0.00 0.00 178.31 179.42 1g3i h GLU 342 N 0.28 0.19 0.06 1.51 5.08 -1.14 0.45 114.58 121.01 1g3i h GLU 342 Ca 0.38 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.56 1g3i h GLU 342 Cb 0.60 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1g3i h GLU 342 CO -0.46 0.13 -0.86 0.00 -1.00 0.00 0.00 179.01 176.82 1g3i h ARG 343 N 0.20 0.12 -0.13 2.33 3.08 -0.38 -3.26 114.38 116.33 1g3i h ARG 343 Ca 0.75 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 60.62 1g3i h ARG 343 Cb 2.15 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 32.27 1g3i h ARG 343 CO -0.42 1.10 0.11 0.82 -1.07 0.00 0.00 179.97 180.52 1g3i h ILE 344 N -0.68 0.71 0.00 2.04 1.08 -0.54 0.49 117.51 120.61 1g3i h ILE 344 Ca -0.20 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.22 1g3i h ILE 344 Cb 1.41 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 1g3i h ILE 344 CO -0.01 0.00 -0.27 0.25 -0.69 0.00 0.00 178.15 177.44 1g3i h LEU 345 N 0.00 0.00 0.00 1.44 5.85 -0.20 -3.41 115.31 119.00 1g3i h LEU 345 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1g3i h LEU 345 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1g3i h LEU 345 CO -0.00 0.27 -0.21 0.35 -0.34 0.00 0.00 178.44 178.51 1g3i n THR 346 N -3.91 0.00 0.16 1.05 -2.24 0.46 -3.44 114.28 106.36 1g3i n THR 346 Ca -0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1g3i n THR 346 Cb 0.35 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.44 -6.06 -0.78 5.08 -0.40 -3.44 114.58 108.55 1g3i h GLU 347 Ca 0.00 0.03 -0.79 0.00 -1.00 0.00 0.00 59.36 57.60 1g3i h GLU 347 Cb 0.18 0.10 0.04 0.00 0.50 0.00 0.00 28.75 29.57 1g3i h GLU 347 CO 0.00 -0.11 0.33 -2.30 -1.00 0.00 0.00 179.01 175.93 1g3i n PRO 348 N -5.12 0.27 -1.51 2.33 -0.02 -1.26 -4.80 135.00 124.89 1g3i n PRO 348 Ca -0.09 0.10 -0.53 0.00 -2.02 0.00 0.00 63.50 60.96 1g3i n PRO 348 Cb 0.27 -1.64 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 1g3i n PRO 348 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1g3i n HIS 349 N 2.52 1.73 -2.21 6.00 8.25 -0.42 -0.63 115.22 130.47 1g3i n HIS 349 Ca 0.23 0.34 -0.01 0.00 -0.26 0.00 0.00 57.72 58.02 1g3i n HIS 349 Cb 0.07 -2.51 0.01 0.00 1.12 0.00 0.00 29.99 28.68 1g3i n HIS 349 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g3i n ALA 350 N 8.43 -0.14 -0.87 -1.41 0.00 -1.26 -4.93 120.51 120.32 1g3i n ALA 350 Ca 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.66 1g3i n ALA 350 Cb 0.19 -0.70 0.22 0.00 0.00 0.00 0.00 19.45 19.16 1g3i n ALA 350 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1g3i n SER 351 N -0.69 -2.41 0.00 0.00 3.41 0.20 -4.74 113.62 109.39 1g3i n SER 351 Ca -0.02 -0.97 -0.13 0.00 -0.26 0.00 0.00 58.87 57.49 1g3i n SER 351 Cb 0.51 -0.83 -0.09 0.00 -0.26 0.00 0.00 64.21 63.53 1g3i n SER 351 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1g3i h LEU 352 N 0.00 -0.03 -0.50 1.04 3.38 -1.78 -1.38 115.31 116.04 1g3i h LEU 352 Ca -0.34 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 1g3i h LEU 352 Cb 1.06 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1g3i h LEU 352 CO 0.22 0.41 0.28 0.71 0.09 0.00 0.00 178.44 180.15 1g3i h THR 353 N -0.47 1.17 -0.81 0.22 1.35 -1.92 0.11 112.91 112.56 1g3i h THR 353 Ca -0.00 -0.41 0.17 0.00 -0.55 0.00 0.00 66.41 65.61 1g3i h THR 353 Cb 0.44 0.53 -0.06 0.00 -1.73 0.00 0.00 68.15 67.34 1g3i h THR 353 CO 0.01 0.18 0.54 -0.33 -0.25 0.00 0.00 175.52 175.66 1g3i h GLU 354 N 0.67 0.41 0.26 4.72 5.08 -1.80 -1.46 114.58 122.44 1g3i h GLU 354 Ca 0.18 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1g3i h GLU 354 Cb 0.03 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1g3i h GLU 354 CO -0.03 0.27 -0.12 1.96 -1.00 0.00 0.00 179.01 180.09 1g3i h GLN 355 N 0.42 -0.33 -0.57 2.33 4.20 0.20 -2.82 115.11 118.53 1g3i h GLN 355 Ca 0.40 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.25 1g3i h GLN 355 Cb 0.95 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.72 1g3i h GLN 355 CO -0.14 -0.13 0.06 1.88 -0.67 0.00 0.00 178.83 179.83 1g3i h TYR 356 N -1.06 0.07 -0.14 2.96 0.99 -0.69 0.36 116.97 119.46 1g3i h TYR 356 Ca -0.04 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.76 1g3i h TYR 356 Cb 0.35 0.06 -0.06 0.00 1.00 0.00 0.00 36.73 38.08 1g3i h TYR 356 CO 0.02 -0.09 -0.51 0.87 -0.00 0.00 0.00 178.16 178.45 1g3i h LYS 357 N 0.18 -0.52 -0.78 4.88 1.57 -1.38 0.53 116.57 121.06 1g3i h LYS 357 Ca 0.30 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.29 1g3i h LYS 357 Cb 0.45 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1g3i h LYS 357 CO -0.44 -0.35 0.53 0.00 -0.57 0.00 0.00 179.45 178.63 1g3i h ALA 358 N -0.36 2.30 0.07 3.86 0.00 -0.99 -0.14 119.26 123.99 1g3i h ALA 358 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1g3i h ALA 358 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1g3i h ALA 358 CO -0.42 -0.52 -0.03 -0.07 0.00 0.00 0.00 179.25 178.21 1g3i h LEU 359 N 0.29 -0.07 -1.73 0.00 -0.00 0.29 -3.25 115.31 110.84 1g3i h LEU 359 Ca 0.39 -0.47 0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1g3i h LEU 359 Cb 1.08 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 1g3i h LEU 359 CO -0.10 0.61 0.26 0.24 -0.00 0.00 0.00 178.44 179.45 1g3i h MET 360 N -0.94 0.34 -0.69 1.13 2.86 0.00 -2.26 114.93 115.36 1g3i h MET 360 Ca -0.01 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.72 1g3i h MET 360 Cb 0.54 -0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.01 1g3i h MET 360 CO 0.01 0.22 -0.40 0.00 1.06 0.00 0.00 176.91 177.81 1g3i h ALA 361 N 1.78 -0.14 -1.13 6.32 0.00 -0.66 0.37 119.26 125.81 1g3i h ALA 361 Ca 0.17 0.16 0.32 0.00 0.00 0.00 0.00 54.91 55.56 1g3i h ALA 361 Cb 0.22 0.93 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1g3i h ALA 361 CO -0.04 -0.74 0.74 1.15 0.00 0.00 0.00 179.25 180.36 1g3i h THR 362 N -0.15 0.41 -0.00 0.00 2.02 -1.44 0.93 112.91 114.69 1g3i h THR 362 Ca 0.23 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1g3i h THR 362 Cb 0.56 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1g3i h THR 362 CO -0.76 0.05 -0.12 -0.62 0.37 0.00 0.00 175.52 174.43 1g3i n GLU 363 N -4.58 0.29 0.00 6.66 -0.58 0.06 -4.90 120.64 117.59 1g3i n GLU 363 Ca 0.28 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1g3i n GLU 363 Cb 1.06 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 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 1.39 0.66 3.73 0.62 0.00 0.32 -4.36 105.19 107.56 1g3i n GLY 364 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.13 4.53 -0.26 1.61 1.01 -0.82 -3.07 120.40 121.28 1g3i s VAL 365 Ca 0.00 1.99 -0.08 0.00 0.00 0.00 0.00 61.98 63.89 1g3i s VAL 365 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1g3i s VAL 365 CO 0.00 0.33 0.09 0.21 0.00 0.00 0.00 175.10 175.73 1g3i s ASN 366 N -0.05 5.24 0.17 3.32 3.84 -0.89 -2.41 114.94 124.17 1g3i s ASN 366 Ca 0.45 -0.26 0.09 0.00 0.21 0.00 0.00 52.86 53.36 1g3i s ASN 366 Cb -0.23 -1.94 -0.04 0.00 -0.55 0.00 0.00 41.25 38.48 1g3i s ASN 366 CO 0.29 -0.06 -0.12 -0.51 -2.79 0.00 0.00 177.10 173.90 1g3i s ILE 367 N 1.62 3.04 -0.13 -5.21 2.07 -1.26 -0.03 121.20 121.31 1g3i s ILE 367 Ca 0.06 -1.67 -0.06 0.00 -1.41 0.00 0.00 60.65 57.57 1g3i s ILE 367 Cb -0.15 -2.49 0.06 0.00 0.13 0.00 0.00 42.46 40.01 1g3i s ILE 367 CO 0.04 -0.08 0.29 0.00 -1.91 0.00 0.00 174.94 173.29 1g3i s ALA 368 N -1.61 -0.69 -0.21 1.50 0.00 -0.46 -4.92 121.76 115.36 1g3i s ALA 368 Ca 0.23 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 1g3i s ALA 368 Cb -0.09 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1g3i s ALA 368 CO 0.14 -0.36 0.17 -0.06 0.00 0.00 0.00 175.76 175.65 1g3i s PHE 369 N 1.67 3.38 0.38 0.00 0.40 -1.26 -0.63 117.98 121.92 1g3i s PHE 369 Ca -0.06 0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 56.48 1g3i s PHE 369 Cb -0.11 -2.24 -0.07 0.00 0.51 0.00 0.00 43.02 41.12 1g3i s PHE 369 CO -0.10 0.19 0.76 0.95 0.70 0.00 0.00 175.22 177.72 1g3i s THR 370 N 0.68 4.75 0.01 0.64 -4.23 -0.18 -4.89 115.64 112.42 1g3i s THR 370 Ca 0.09 0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 61.31 1g3i s THR 370 Cb -0.12 -3.69 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 1g3i s THR 370 CO 0.01 -0.42 1.02 0.74 -0.54 0.00 0.00 174.62 175.44 1g3i h THR 371 N 1.36 0.00 -1.45 3.99 2.02 -1.98 0.51 112.91 117.36 1g3i h THR 371 Ca -0.47 0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.13 1g3i h THR 371 Cb 1.18 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 1g3i h THR 371 CO 0.64 0.00 1.03 0.44 0.37 0.00 0.00 175.52 178.00 1g3i h ASP 372 N -0.01 0.06 0.16 4.18 3.32 -1.96 0.32 116.42 122.49 1g3i h ASP 372 Ca 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1g3i h ASP 372 Cb 0.02 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1g3i h ASP 372 CO -0.03 -0.01 -0.08 0.00 -1.72 0.00 0.00 179.24 177.40 1g3i h ALA 373 N 1.31 -0.22 0.68 3.45 0.00 -0.35 0.16 119.26 124.29 1g3i h ALA 373 Ca 0.72 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 1g3i h ALA 373 Cb 2.74 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 20.61 1g3i h ALA 373 CO -0.07 -0.46 -0.44 0.28 0.00 0.00 0.00 179.25 178.55 1g3i h VAL 374 N -0.54 0.11 -0.99 0.00 2.07 0.13 0.29 116.25 117.33 1g3i h VAL 374 Ca -0.02 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.76 1g3i h VAL 374 Cb 0.41 0.11 -0.18 0.00 -1.52 0.00 0.00 31.29 30.11 1g3i h VAL 374 CO 0.04 0.00 -0.00 0.50 0.02 0.00 0.00 177.57 178.13 1g3i h LYS 375 N -1.06 0.01 0.49 1.57 3.64 -0.93 0.35 116.57 120.63 1g3i h LYS 375 Ca -0.09 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1g3i h LYS 375 Cb 0.87 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1g3i h LYS 375 CO 0.07 0.00 -0.23 -0.22 -2.27 0.00 0.00 179.45 176.80 1g3i h LYS 376 N 0.01 -0.63 -0.61 1.90 1.63 0.32 0.15 116.57 119.34 1g3i h LYS 376 Ca 0.59 0.04 0.10 0.00 -0.85 0.00 0.00 60.65 60.53 1g3i h LYS 376 Cb 1.18 0.14 -0.11 0.00 -0.60 0.00 0.00 32.23 32.84 1g3i h LYS 376 CO -0.93 -0.34 -0.36 0.82 -3.45 0.00 0.00 179.45 175.19 1g3i h ILE 377 N -0.85 0.14 0.64 2.00 2.04 0.31 0.44 117.51 122.23 1g3i h ILE 377 Ca -0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1g3i h ILE 377 Cb 0.58 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1g3i h ILE 377 CO 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.95 1g3i h ALA 378 N 0.93 -0.86 -0.48 1.87 0.00 -0.41 -0.75 119.26 119.56 1g3i h ALA 378 Ca 0.23 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1g3i h ALA 378 Cb 0.56 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1g3i h ALA 378 CO -0.70 -0.96 0.68 1.49 0.00 0.00 0.00 179.25 179.76 1g3i h GLU 379 N -0.91 0.00 0.06 0.00 4.57 -0.12 0.15 114.58 118.32 1g3i h GLU 379 Ca -0.09 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.01 1g3i h GLU 379 Cb 0.68 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1g3i h GLU 379 CO 0.14 0.00 -0.39 0.00 -1.18 0.00 0.00 179.01 177.59 1g3i h ALA 380 N 1.09 -0.02 0.09 2.92 0.00 0.20 -1.36 119.26 122.18 1g3i h ALA 380 Ca 0.23 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1g3i h ALA 380 Cb 1.59 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1g3i h ALA 380 CO -0.00 0.19 -0.27 0.00 0.00 0.00 0.00 179.25 179.16 1g3i h ALA 381 N 0.01 -0.81 -0.75 0.00 0.00 0.64 -1.81 119.26 116.54 1g3i h ALA 381 Ca -0.07 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1g3i h ALA 381 Cb 1.27 0.66 -0.13 0.00 0.00 0.00 0.00 17.79 19.59 1g3i h ALA 381 CO 0.05 -0.87 -0.32 0.35 0.00 0.00 0.00 179.25 178.45 1g3i h PHE 382 N -0.41 -0.88 -0.98 0.00 -0.00 -1.41 -1.71 116.94 111.55 1g3i h PHE 382 Ca -0.01 0.08 0.11 0.00 -0.00 0.00 0.00 57.97 58.16 1g3i h PHE 382 Cb 0.40 0.50 -0.13 0.00 -0.00 0.00 0.00 35.95 36.71 1g3i h PHE 382 CO -0.35 -0.38 -0.50 -2.13 -0.00 0.00 0.00 178.31 174.95 1g3i n ARG 383 N -5.46 -0.35 0.05 1.11 3.00 -0.51 -1.19 116.66 113.31 1g3i n ARG 383 Ca 0.07 1.49 -0.13 0.00 -0.00 0.00 0.00 57.85 59.29 1g3i n ARG 383 Cb 0.38 -2.20 -0.09 0.00 0.00 0.00 0.00 32.46 30.55 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 1.11 -0.99 5.15 3.04 -0.84 -2.04 116.25 121.69 1g3i h VAL 384 Ca 0.23 -0.79 0.18 0.00 -1.01 0.00 0.00 66.70 65.32 1g3i h VAL 384 Cb 0.48 1.61 -0.18 0.00 -2.01 0.00 0.00 31.29 31.19 1g3i h VAL 384 CO -0.94 0.19 -0.30 0.78 -1.01 0.00 0.00 177.57 176.29 1g3i h ASN 385 N -0.49 -1.11 -0.40 3.17 4.21 -0.61 0.57 115.58 120.93 1g3i h ASN 385 Ca -0.01 0.30 -0.01 0.00 1.21 0.00 0.00 56.30 57.79 1g3i h ASN 385 Cb 0.41 0.66 -0.02 0.00 -1.12 0.00 0.00 38.32 38.25 1g3i h ASN 385 CO 0.02 -0.31 0.21 -0.08 -1.29 0.00 0.00 177.43 175.97 1g3i h GLU 386 N -0.00 0.57 0.00 0.81 4.81 -1.03 -2.93 114.58 116.81 1g3i h GLU 386 Ca 0.43 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1g3i h GLU 386 Cb 0.68 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1g3i h GLU 386 CO -1.01 0.48 0.00 0.87 -0.73 0.00 0.00 179.01 178.63 1g3i h LYS 387 N 0.51 0.00 0.00 1.92 1.79 0.65 -3.47 116.57 117.97 1g3i h LYS 387 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1g3i h LYS 387 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1g3i h LYS 387 CO -0.02 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.60 1g3i n THR 388 N -2.58 0.00 -2.75 -0.16 -2.24 0.13 -4.97 114.28 101.70 1g3i n THR 388 Ca 0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 1g3i n THR 388 Cb 0.30 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 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 3.80 3.61 -0.71 -0.78 2.56 -1.26 -4.90 118.70 121.02 1g3i s GLU 389 Ca 0.00 -1.49 -0.25 0.00 0.00 0.00 0.00 54.97 53.22 1g3i s GLU 389 Cb 0.00 -5.13 -0.14 0.00 2.00 0.00 0.00 34.13 30.86 1g3i s GLU 389 CO 0.00 -1.98 2.45 -1.71 -0.56 0.00 0.00 175.26 173.46 1g3i n ASN 390 N 7.63 1.45 -1.90 -1.70 2.85 -1.12 -4.74 115.26 117.71 1g3i n ASN 390 Ca 0.29 -0.60 -0.16 0.00 -0.11 0.00 0.00 54.58 54.00 1g3i n ASN 390 Cb 0.50 -1.37 0.16 0.00 1.24 0.00 0.00 39.78 40.30 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 7.86 2.63 -4.48 -1.44 -5.35 -1.26 -4.81 119.36 112.51 1g3i n ILE 391 Ca 0.48 -1.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.53 1g3i n ILE 391 Cb 0.38 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 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 -0.62 2.58 0.26 3.28 0.00 -1.24 -2.98 105.19 106.48 1g3i n GLY 392 Ca 0.43 -0.44 0.16 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.82 1.00 -0.89 4.61 0.00 -1.41 -2.95 119.26 118.79 1g3i h ALA 393 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1g3i h ALA 393 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1g3i h ALA 393 CO 0.00 0.00 0.57 0.00 0.00 0.00 0.00 179.25 179.82 1g3i h ARG 394 N 0.00 0.65 0.00 0.00 2.47 -1.78 0.16 114.38 115.88 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 0.62 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1g3i h ARG 394 CO 0.00 0.43 0.51 -0.09 0.56 0.00 0.00 179.97 181.38 1g3i h ARG 395 N 0.67 0.00 0.01 0.04 9.65 -1.68 0.33 114.38 123.40 1g3i h ARG 395 Ca 0.45 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.27 1g3i h ARG 395 Cb 0.75 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1g3i h ARG 395 CO -0.20 0.00 -0.22 -0.07 2.80 0.00 0.00 179.97 182.28 1g3i h LEU 396 N 0.00 0.18 -1.78 3.80 3.38 -0.92 -0.82 115.31 119.15 1g3i h LEU 396 Ca 0.00 -0.80 0.08 0.00 0.09 0.00 0.00 57.88 57.25 1g3i h LEU 396 Cb 1.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1g3i h LEU 396 CO 0.00 0.96 0.31 0.45 0.09 0.00 0.00 178.44 180.25 1g3i h HIS 397 N -0.58 0.27 0.17 1.13 3.86 -0.49 0.51 115.15 120.03 1g3i h HIS 397 Ca -0.03 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1g3i h HIS 397 Cb 1.00 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1g3i h HIS 397 CO 0.19 0.14 -0.08 1.15 0.86 0.00 0.00 177.93 180.19 1g3i h THR 398 N 0.26 0.94 -0.40 2.45 2.02 -1.35 -2.61 112.91 114.20 1g3i h THR 398 Ca 0.20 -0.87 -0.11 0.00 0.77 0.00 0.00 66.41 66.40 1g3i h THR 398 Cb 0.47 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1g3i h THR 398 CO -0.04 0.19 -0.20 0.58 0.37 0.00 0.00 175.52 176.42 1g3i h VAL 399 N -0.68 1.27 0.53 3.16 2.07 -0.35 -1.96 116.25 120.28 1g3i h VAL 399 Ca -0.02 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 1g3i h VAL 399 Cb 0.49 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1g3i h VAL 399 CO 0.04 0.44 -0.32 0.24 0.02 0.00 0.00 177.57 177.99 1g3i h MET 400 N 0.69 -0.76 -0.64 1.57 2.86 -0.09 0.61 114.93 119.16 1g3i h MET 400 Ca 0.10 0.05 0.19 0.00 -2.06 0.00 0.00 59.70 57.98 1g3i h MET 400 Cb 0.70 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.51 1g3i h MET 400 CO 0.05 -0.51 0.56 1.49 1.06 0.00 0.00 176.91 179.57 1g3i h GLU 401 N -0.79 0.00 -0.03 1.72 4.57 -1.43 1.13 114.58 119.75 1g3i h GLU 401 Ca -0.07 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.91 1g3i h GLU 401 Cb 0.63 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1g3i h GLU 401 CO 0.08 0.00 -0.81 -0.09 -1.18 0.00 0.00 179.01 177.01 1g3i h ARG 402 N 0.00 0.33 0.09 1.92 2.43 -0.77 -3.02 114.38 115.36 1g3i h ARG 402 Ca 0.31 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1g3i h ARG 402 Cb 1.43 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 1g3i h ARG 402 CO -0.00 0.98 -0.05 1.25 -1.51 0.00 0.00 179.97 180.64 1g3i h LEU 403 N 0.21 -0.11 0.00 3.80 6.46 0.35 -3.28 115.31 122.74 1g3i h LEU 403 Ca -0.04 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1g3i h LEU 403 Cb 1.41 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.37 1g3i h LEU 403 CO 0.13 0.53 0.00 0.23 -0.62 0.00 0.00 178.44 178.72 1g3i n MET 404 N -4.82 0.41 0.00 1.25 2.81 0.40 -4.30 117.12 112.87 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 0.24 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 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 -0.53 0.00 -0.02 7.83 -0.08 -1.14 -1.68 116.55 120.94 1g3i n ASP 405 Ca 0.01 0.41 -0.13 0.00 -1.51 0.00 0.00 54.79 53.56 1g3i n ASP 405 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 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 -0.48 -0.75 -0.67 6.56 -1.87 -2.06 116.57 117.30 1g3i h LYS 406 Ca 0.00 0.03 0.15 0.00 -1.06 0.00 0.00 60.65 59.77 1g3i h LYS 406 Cb 0.00 0.11 -0.14 0.00 -0.57 0.00 0.00 32.23 31.63 1g3i h LYS 406 CO 0.00 -0.32 -0.22 0.82 -2.06 0.00 0.00 179.45 177.67 1g3i h ILE 407 N -0.50 0.21 -0.92 1.86 2.04 -1.86 0.19 117.51 118.53 1g3i h ILE 407 Ca 0.03 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.16 1g3i h ILE 407 Cb 0.59 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1g3i h ILE 407 CO -0.40 0.00 0.78 -1.28 0.00 0.00 0.00 178.15 177.25 1g3i h SER 408 N -0.03 0.00 0.00 1.72 0.87 -0.57 1.86 113.55 117.40 1g3i h SER 408 Ca 0.35 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.87 1g3i h SER 408 Cb 0.56 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1g3i h SER 408 CO -0.78 0.00 -0.43 0.15 -0.53 0.00 0.00 176.83 175.24 1g3i h PHE 409 N 0.00 0.00 0.00 2.24 3.57 -0.61 -3.39 116.94 118.75 1g3i h PHE 409 Ca 0.44 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.88 1g3i h PHE 409 Cb 2.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.73 1g3i h PHE 409 CO 0.00 0.28 -0.28 0.77 -2.23 0.00 0.00 178.31 176.86 1g3i h SER 410 N -1.00 0.00 -1.71 0.41 0.02 -0.90 -3.27 113.55 107.11 1g3i h SER 410 Ca -0.05 0.00 0.53 0.00 -0.84 0.00 0.00 61.79 61.43 1g3i h SER 410 Cb 0.51 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.95 1g3i h SER 410 CO -0.03 0.28 1.19 0.00 -1.14 0.00 0.00 176.83 177.12 1g3i h ALA 411 N 1.72 3.42 0.59 3.77 0.00 0.27 0.06 119.26 129.09 1g3i h ALA 411 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1g3i h ALA 411 Cb 0.74 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1g3i h ALA 411 CO 0.04 -2.03 -0.28 1.03 0.00 0.00 0.00 179.25 178.00 1g3i h SER 412 N 0.01 -0.67 -0.55 0.00 0.87 -1.80 -2.97 113.55 108.44 1g3i h SER 412 Ca 0.91 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.47 1g3i h SER 412 Cb 3.34 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 65.48 1g3i h SER 412 CO -0.20 -0.44 0.00 -0.90 -0.53 0.00 0.00 176.83 174.76 1g3i n ASP 413 N -5.41 4.88 -1.70 6.23 3.85 -0.13 -4.05 116.55 120.22 1g3i n ASP 413 Ca -0.13 -2.65 -0.14 0.00 -0.71 0.00 0.00 54.79 51.16 1g3i n ASP 413 Cb 0.34 -0.62 0.19 0.00 -1.35 0.00 0.00 41.12 39.68 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 0.75 2.04 -1.15 0.11 1.56 -0.39 -5.03 117.12 115.01 1g3i n MET 414 Ca 0.24 -3.11 -0.35 0.00 -0.27 0.00 0.00 57.70 54.21 1g3i n MET 414 Cb 0.98 -2.00 0.09 0.00 2.15 0.00 0.00 33.22 34.44 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 -1.14 -1.18 0.00 6.12 2.85 -1.25 -3.32 115.26 117.34 1g3i n ASN 415 Ca 0.47 0.53 0.00 0.00 -0.11 0.00 0.00 54.58 55.47 1g3i n ASN 415 Cb 1.36 -1.24 0.00 0.00 1.24 0.00 0.00 39.78 41.13 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 1.52 1.40 2.63 8.20 0.00 -1.17 -4.93 105.19 112.83 1g3i n GLY 416 Ca 0.10 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -3.81 1.61 6.02 -1.21 -4.52 117.38 115.47 1g3i n GLN 417 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 1g3i n GLN 417 Cb 0.00 -0.88 -0.17 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.75 0.59 -0.11 5.09 -4.23 -1.25 -2.09 115.64 111.87 1g3i s THR 418 Ca 0.34 -0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.67 1g3i s THR 418 Cb -0.11 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 1g3i s THR 418 CO 0.70 0.29 0.43 -0.69 -0.54 0.00 0.00 174.62 174.81 1g3i s VAL 419 N 1.89 5.19 -0.72 2.29 1.01 0.96 -4.97 120.40 126.05 1g3i s VAL 419 Ca 0.05 0.86 -0.06 0.00 0.00 0.00 0.00 61.98 62.83 1g3i s VAL 419 Cb -0.12 -3.77 0.19 0.00 0.00 0.00 0.00 36.38 32.67 1g3i s VAL 419 CO -0.06 0.37 0.58 0.21 0.00 0.00 0.00 175.10 176.19 1g3i s ASN 420 N 0.40 5.76 -0.54 3.32 3.84 -1.26 -1.36 114.94 125.10 1g3i s ASN 420 Ca 0.24 -2.93 -0.28 0.00 0.21 0.00 0.00 52.86 50.10 1g3i s ASN 420 Cb -0.15 -1.96 0.02 0.00 -0.55 0.00 0.00 41.25 38.60 1g3i s ASN 420 CO 0.09 -0.40 1.39 -0.63 -2.79 0.00 0.00 177.10 174.76 1g3i s ILE 421 N -0.18 3.83 0.28 -5.21 1.01 0.20 -4.88 121.20 116.25 1g3i s ILE 421 Ca 0.19 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.59 1g3i s ILE 421 Cb -0.16 -4.44 0.01 0.00 0.01 0.00 0.00 42.46 37.88 1g3i s ILE 421 CO -0.06 -1.13 0.10 -0.90 0.00 0.00 0.00 174.94 172.95 1g3i n ASP 422 N 9.34 2.33 0.19 3.58 3.85 -1.26 -1.01 116.55 133.57 1g3i n ASP 422 Ca 0.12 -2.08 0.07 0.00 -0.71 0.00 0.00 54.79 52.20 1g3i n ASP 422 Cb 0.49 0.09 0.59 0.00 -1.35 0.00 0.00 41.12 40.93 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 0.93 1.95 0.28 2.12 0.00 -1.89 -1.22 119.26 121.42 1g3i h ALA 423 Ca -0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1g3i h ALA 423 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1g3i h ALA 423 CO 0.33 0.04 -0.14 0.00 0.00 0.00 0.00 179.25 179.48 1g3i h ALA 424 N 1.93 -0.38 -0.39 0.00 0.00 -1.95 -1.16 119.26 117.29 1g3i h ALA 424 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1g3i h ALA 424 Cb 0.02 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1g3i h ALA 424 CO -0.01 -0.49 -0.41 -0.92 0.00 0.00 0.00 179.25 177.42 1g3i h TYR 425 N -0.83 -1.27 -0.33 0.00 -0.00 -1.73 -0.33 116.97 112.48 1g3i h TYR 425 Ca -0.04 0.07 0.05 0.00 -0.00 0.00 0.00 58.73 58.80 1g3i h TYR 425 Cb 0.51 0.61 -0.04 0.00 -0.00 0.00 0.00 36.73 37.81 1g3i h TYR 425 CO 0.04 -0.34 0.08 0.28 -0.00 0.00 0.00 178.16 178.22 1g3i h VAL 426 N -0.22 0.86 -0.09 1.81 2.07 -1.34 0.15 116.25 119.49 1g3i h VAL 426 Ca 0.07 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1g3i h VAL 426 Cb 0.40 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1g3i h VAL 426 CO -0.49 0.04 0.17 0.00 0.02 0.00 0.00 177.57 177.31 1g3i h ALA 427 N 1.24 1.48 0.00 1.67 0.00 -0.10 -2.32 119.26 121.23 1g3i h ALA 427 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1g3i h ALA 427 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1g3i h ALA 427 CO -0.19 -0.21 -0.26 0.22 0.00 0.00 0.00 179.25 178.81 1g3i h ASP 428 N 0.00 0.00 -1.41 0.00 1.82 0.57 -3.27 116.42 114.13 1g3i h ASP 428 Ca 0.04 0.00 0.41 0.00 -0.39 0.00 0.00 57.03 57.09 1g3i h ASP 428 Cb 0.37 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.33 1g3i h ASP 428 CO -0.00 0.40 1.24 0.00 -1.61 0.00 0.00 179.24 179.27 1g3i n ALA 429 N -2.97 1.36 -0.11 -0.78 0.00 0.36 -1.45 120.51 116.92 1g3i n ALA 429 Ca -0.04 0.47 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 1g3i n ALA 429 Cb 0.13 -0.81 -0.11 0.00 0.00 0.00 0.00 19.45 18.66 1g3i n ALA 429 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1g3i n LEU 430 N -3.45 1.86 0.00 0.00 4.77 -0.89 -4.71 117.00 114.58 1g3i n LEU 430 Ca 0.32 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1g3i n LEU 430 Cb 1.66 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1g3i n LEU 430 CO 0.32 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1g3i n GLY 431 N 1.43 1.04 2.75 -0.72 0.00 -0.53 -4.90 105.19 104.25 1g3i n GLY 431 Ca -0.33 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 1g3i n GLY 431 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1g3i s GLU 432 N 0.00 -0.04 0.26 1.61 -1.05 -1.26 -5.00 118.70 113.22 1g3i s GLU 432 Ca 0.00 0.31 -0.30 0.00 -0.15 0.00 0.00 54.97 54.83 1g3i s GLU 432 Cb 0.00 -0.34 -0.10 0.00 -0.44 0.00 0.00 34.13 33.25 1g3i s GLU 432 CO 0.00 -0.24 1.42 0.08 0.95 0.00 0.00 175.26 177.47 1g3i s VAL 433 N 1.60 2.66 -0.59 1.83 1.01 -1.26 -4.99 120.40 120.65 1g3i s VAL 433 Ca -0.03 0.57 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 1g3i s VAL 433 Cb -0.12 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 33.05 1g3i s VAL 433 CO -0.04 0.10 0.41 0.68 0.00 0.00 0.00 175.10 176.25 1g3i s VAL 434 N -0.16 3.67 0.00 2.92 -7.23 -1.26 -5.05 120.40 113.29 1g3i s VAL 434 Ca 0.58 -2.82 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 1g3i s VAL 434 Cb -0.42 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.11 1g3i s VAL 434 CO 0.45 -0.85 0.00 1.21 -0.31 0.00 0.00 175.10 175.60 1g3i n GLU 435 N 3.66 0.00 -0.29 4.82 2.13 -1.26 -4.88 120.64 124.82 1g3i n GLU 435 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1g3i n GLU 435 Cb 0.38 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.09 1g3i n GLU 435 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1g3i n ASN 436 N 0.00 0.00 0.05 4.31 3.02 -1.26 -4.70 115.26 116.68 1g3i n ASN 436 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1g3i n ASN 436 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1g3i n ASN 436 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1g3i h GLU 437 N 0.20 0.17 0.00 3.52 4.11 -2.01 -3.45 114.58 117.12 1g3i h GLU 437 Ca 0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1g3i h GLU 437 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1g3i h GLU 437 CO 0.00 1.02 0.00 -0.25 0.07 0.00 0.00 179.01 179.85 1g3i n ASP 438 N -3.38 0.00 0.00 3.06 8.00 -1.26 -4.70 116.55 118.27 1g3i n ASP 438 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 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 0.00 0.00 0.00 0.64 4.77 -1.26 -4.09 117.00 117.06 1g3i n LEU 439 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1g3i n LEU 439 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1g3i n LEU 439 CO 0.00 -0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.52 1g3i n SER 440 N -3.69 0.00 -0.06 -1.43 3.41 -1.26 -0.43 113.62 110.17 1g3i n SER 440 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1g3i n SER 440 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.00 4.33 5.12 -1.26 0.80 116.66 125.65 1g3i n ARG 441 Ca 0.00 0.15 0.03 0.00 -1.93 0.00 0.00 57.85 56.10 1g3i n ARG 441 Cb 0.00 -0.30 -0.03 0.00 -1.16 0.00 0.00 32.46 30.97 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 -2.91 0.00 -3.96 -1.55 3.72 0.43 -5.06 117.46 108.12 1g3i n PHE 442 Ca 0.05 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.20 1g3i n PHE 442 Cb 0.19 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.63 5.23 -2.95 4.37 1.01 0.24 -5.03 121.20 122.44 1g3i s ILE 443 Ca 0.02 -0.79 0.24 0.00 0.00 0.00 0.00 60.65 60.12 1g3i s ILE 443 Cb 0.04 -3.72 0.23 0.00 0.01 0.00 0.00 42.46 39.02 1g3i s ILE 443 CO 0.23 -0.14 1.31 -0.11 0.00 0.00 0.00 174.94 176.23