#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1i s LEU 6 N 0.00 4.34 -0.15 3.41 1.43 -1.26 -5.01 118.68 121.44 3d1i s LEU 6 Ca 0.00 2.96 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 3d1i s LEU 6 Cb 0.00 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 3d1i s LEU 6 CO 0.00 -0.82 -0.15 -0.54 0.23 0.00 0.00 176.35 175.07 3d1i s LYS 7 N -1.74 3.22 0.57 1.70 -0.14 -1.26 -5.11 119.74 116.99 3d1i s LYS 7 Ca 0.54 -0.75 -0.19 0.00 -1.36 0.00 0.00 55.97 54.21 3d1i s LYS 7 Cb -0.45 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 3d1i s LYS 7 CO 0.59 0.03 1.18 -1.25 -0.76 0.00 0.00 175.35 175.14 3d1i s PRO 8 N 0.78 3.11 0.37 -1.68 0.04 -1.26 -4.84 135.00 131.51 3d1i s PRO 8 Ca -0.06 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.81 3d1i s PRO 8 Cb -0.15 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 3d1i s PRO 8 CO 0.00 -1.08 0.40 0.14 0.04 0.00 0.00 177.00 176.50 3d1i s VAL 9 N -1.65 3.36 -0.90 -0.36 -7.23 -1.26 -5.04 120.40 107.33 3d1i s VAL 9 Ca 0.76 -1.22 -0.24 0.00 -1.81 0.00 0.00 61.98 59.46 3d1i s VAL 9 Cb -0.28 -3.16 0.05 0.00 0.56 0.00 0.00 36.38 33.54 3d1i s VAL 9 CO 0.31 -0.10 1.36 -0.62 -0.31 0.00 0.00 175.10 175.74 3d1i s ASP 10 N -4.12 6.36 0.49 4.85 2.15 -1.26 -4.83 116.67 120.30 3d1i s ASP 10 Ca 0.46 -1.06 0.15 0.00 0.43 0.00 0.00 52.55 52.53 3d1i s ASP 10 Cb -0.07 -2.56 1.15 0.00 -0.30 0.00 0.00 42.92 41.15 3d1i s ASP 10 CO 0.29 -1.62 2.08 0.00 -0.17 0.00 0.00 175.17 175.74 3d1i h ALA 11 N 9.85 1.87 -0.36 3.66 0.00 -2.00 -2.25 119.26 130.03 3d1i h ALA 11 Ca -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3d1i h ALA 11 Cb 1.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3d1i h ALA 11 CO 1.35 0.10 0.01 0.52 0.00 0.00 0.00 179.25 181.23 3d1i h MET 12 N 0.00 0.56 -0.50 0.00 2.86 -1.99 -0.46 114.93 115.40 3d1i h MET 12 Ca 0.00 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 3d1i h MET 12 Cb 0.14 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3d1i h MET 12 CO 0.01 0.58 0.12 0.37 1.06 0.00 0.00 176.91 179.05 3d1i h GLN 13 N 0.54 0.80 -0.67 1.72 4.15 -1.82 -2.35 115.11 117.48 3d1i h GLN 13 Ca 0.12 -0.19 0.10 0.00 0.77 0.00 0.00 58.65 59.44 3d1i h GLN 13 Cb 0.34 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 27.85 3d1i h GLN 13 CO 0.01 0.77 0.30 0.00 -1.93 0.00 0.00 178.83 177.98 3d1i h PHE 15 N 0.51 0.00 -0.01 0.00 0.04 -0.59 -1.66 116.94 115.23 3d1i h PHE 15 Ca 0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 3d1i h PHE 15 Cb 0.39 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 3d1i h PHE 15 CO -0.13 0.00 0.02 -0.44 -0.60 0.00 0.00 178.31 177.15 3d1i h ASP 16 N 0.00 0.00 -0.00 2.17 3.32 -1.13 -2.73 116.42 118.04 3d1i h ASP 16 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3d1i h ASP 16 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3d1i h ASP 16 CO 0.00 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 177.49 3d1i n HIS 18 N -0.35 1.79 0.17 0.00 8.25 -0.81 -4.91 115.22 119.36 3d1i n HIS 18 Ca 0.01 -3.88 0.01 0.00 -0.26 0.00 0.00 57.72 53.61 3d1i n HIS 18 Cb 0.04 -0.45 0.32 0.00 1.12 0.00 0.00 29.99 31.02 3d1i n HIS 18 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3d1i h THR 19 N 2.16 1.29 -0.31 1.59 2.02 -1.87 -0.02 112.91 117.77 3d1i h THR 19 Ca 0.12 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 3d1i h THR 19 Cb 0.76 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 3d1i h THR 19 CO 0.64 0.40 0.12 -0.61 0.37 0.00 0.00 175.52 176.45 3d1i h GLN 20 N 0.03 0.46 -0.33 6.66 4.15 -1.93 -0.94 115.11 123.21 3d1i h GLN 20 Ca -0.00 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.26 3d1i h GLN 20 Cb 0.73 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 3d1i h GLN 20 CO 0.05 0.48 -0.08 0.82 -1.93 0.00 0.00 178.83 178.16 3d1i h ILE 21 N 0.35 1.28 -0.65 2.39 1.08 -1.92 -3.02 117.51 117.03 3d1i h ILE 21 Ca 0.10 -1.14 0.14 0.00 -0.39 0.00 0.00 64.86 63.57 3d1i h ILE 21 Cb 0.19 1.34 -0.11 0.00 -3.07 0.00 0.00 36.82 35.16 3d1i h ILE 21 CO -0.01 0.37 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.71 3d1i h GLU 22 N 0.42 0.08 0.00 2.37 4.81 -0.79 0.31 114.58 121.79 3d1i h GLU 22 Ca 0.08 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3d1i h GLU 22 Cb 0.58 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3d1i h GLU 22 CO 0.03 0.05 -0.25 -0.44 -0.73 0.00 0.00 179.01 177.68 3d1i h ASP 23 N 0.08 0.00 0.04 1.04 3.32 -1.06 -0.83 116.42 119.01 3d1i h ASP 23 Ca 0.34 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 3d1i h ASP 23 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3d1i h ASP 23 CO -0.59 0.25 -0.57 0.24 -1.72 0.00 0.00 179.24 176.86 3d1i h MET 24 N 0.00 0.08 -0.33 3.56 2.86 -1.08 -3.38 114.93 116.64 3d1i h MET 24 Ca -0.00 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 3d1i h MET 24 Cb 0.53 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3d1i h MET 24 CO 0.03 1.07 0.02 1.25 1.06 0.00 0.00 176.91 180.34 3d1i h HIS 25 N -0.81 0.61 0.00 -0.22 -0.00 -0.29 -2.97 115.15 111.47 3d1i h HIS 25 Ca -0.13 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.14 3d1i h HIS 25 Cb 1.27 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 3d1i h HIS 25 CO 0.21 0.67 0.00 1.79 -0.00 0.00 0.00 177.93 180.60 3d1i h THR 26 N 0.38 0.00 0.01 6.26 1.35 -1.36 -3.08 112.91 116.47 3d1i h THR 26 Ca 0.10 -0.48 -0.36 0.00 -0.55 0.00 0.00 66.41 65.12 3d1i h THR 26 Cb 0.41 1.44 -0.06 0.00 -1.73 0.00 0.00 68.15 68.21 3d1i h THR 26 CO 0.01 0.00 -2.24 0.52 -0.25 0.00 0.00 175.52 173.56 3d1i n VAL 27 N -2.96 1.49 -1.59 6.82 0.31 -1.21 -4.79 118.33 116.40 3d1i n VAL 27 Ca 0.01 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 3d1i n VAL 27 Cb 0.30 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 3d1i n VAL 27 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d1i n GLY 28 N 1.84 0.31 0.34 2.92 0.00 -1.13 -4.96 105.19 104.51 3d1i n GLY 28 Ca -0.32 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 43.90 3d1i n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d1i n LYS 29 N -0.69 1.43 -0.47 1.61 5.02 -1.06 -2.63 118.16 121.37 3d1i n LYS 29 Ca 0.00 -0.66 0.08 0.00 -2.02 0.00 0.00 58.31 55.71 3d1i n LYS 29 Cb 0.00 -1.25 0.27 0.00 -0.02 0.00 0.00 35.03 34.03 3d1i n LYS 29 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3d1i n HIS 30 N -0.05 1.05 0.14 2.13 8.25 -1.26 -4.70 115.22 120.78 3d1i n HIS 30 Ca 0.11 -0.79 0.16 0.00 -0.26 0.00 0.00 57.72 56.94 3d1i n HIS 30 Cb 0.19 -0.29 0.72 0.00 1.12 0.00 0.00 29.99 31.73 3d1i n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d1i h ALA 31 N 2.25 2.14 -0.02 -1.41 0.00 -1.41 0.50 119.26 121.32 3d1i h ALA 31 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d1i h ALA 31 Cb 1.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3d1i h ALA 31 CO 0.22 -0.36 -0.11 0.25 0.00 0.00 0.00 179.25 179.25 3d1i n THR 32 N -4.23 0.00 -3.06 0.00 -2.24 -1.26 -4.86 114.28 98.63 3d1i n THR 32 Ca 0.04 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 3d1i n THR 32 Cb 0.38 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 3d1i n THR 32 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3d1i s VAL 33 N -2.16 4.80 0.50 2.28 1.01 0.16 -5.02 120.40 121.98 3d1i s VAL 33 Ca 0.30 0.48 -0.21 0.00 0.00 0.00 0.00 61.98 62.54 3d1i s VAL 33 Cb 0.20 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 3d1i s VAL 33 CO 0.39 -0.48 1.16 0.21 0.00 0.00 0.00 175.10 176.38 3d1i s ASN 34 N 1.92 5.94 0.54 3.32 3.84 -1.26 -4.90 114.94 124.34 3d1i s ASN 34 Ca 0.26 2.27 0.25 0.00 0.21 0.00 0.00 52.86 55.85 3d1i s ASN 34 Cb -0.14 -2.60 1.42 0.00 -0.55 0.00 0.00 41.25 39.38 3d1i s ASN 34 CO 0.18 -1.07 2.03 0.00 -2.79 0.00 0.00 177.10 175.44 3d1i h VAL 36 N 0.00 0.00 0.00 0.00 3.04 -1.89 -0.13 116.25 117.27 3d1i h VAL 36 Ca 0.19 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.86 3d1i h VAL 36 Cb 0.81 0.94 -0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3d1i h VAL 36 CO -0.00 0.00 -0.11 0.45 -1.01 0.00 0.00 177.57 176.89 3d1i h HIS 37 N 0.00 0.00 0.00 3.17 3.86 -1.77 -3.33 115.15 117.08 3d1i h HIS 37 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3d1i h HIS 37 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3d1i h HIS 37 CO 0.00 0.11 0.00 0.00 0.86 0.00 0.00 177.93 178.90 3d1i s HIS 39 N -0.35 0.60 -0.39 0.00 3.76 -0.16 0.02 115.29 118.77 3d1i s HIS 39 Ca 0.00 -0.14 -0.01 0.00 -0.15 0.00 0.00 55.06 54.75 3d1i s HIS 39 Cb 0.00 -0.38 0.10 0.00 1.11 0.00 0.00 32.58 33.41 3d1i s HIS 39 CO 0.00 -0.01 0.16 0.34 -0.85 0.00 0.00 174.74 174.38 3d1i s ASP 40 N -0.27 5.14 -0.11 1.40 -1.08 -0.50 -4.23 116.67 117.02 3d1i s ASP 40 Ca 0.02 -2.01 0.15 0.00 -0.52 0.00 0.00 52.55 50.19 3d1i s ASP 40 Cb -0.03 -1.78 0.30 0.00 -1.46 0.00 0.00 42.92 39.94 3d1i s ASP 40 CO -0.00 -0.50 1.19 0.00 0.52 0.00 0.00 175.17 176.38 3d1i n ALA 41 N 4.53 2.37 0.05 3.66 0.00 -1.26 -1.31 120.51 128.55 3d1i n ALA 41 Ca -0.02 -2.25 -0.13 0.00 0.00 0.00 0.00 53.44 51.05 3d1i n ALA 41 Cb 0.42 -0.40 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 3d1i n ALA 41 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3d1i h THR 42 N 0.49 1.04 -0.16 0.00 2.02 -1.98 0.73 112.91 115.05 3d1i h THR 42 Ca 0.00 -0.27 -0.15 0.00 0.77 0.00 0.00 66.41 66.76 3d1i h THR 42 Cb 1.01 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3d1i h THR 42 CO 0.05 0.07 -0.53 -0.33 0.37 0.00 0.00 175.52 175.14 3d1i h GLU 43 N -0.18 0.46 0.01 6.66 5.08 -1.94 -2.44 114.58 122.24 3d1i h GLU 43 Ca -0.01 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3d1i h GLU 43 Cb 0.16 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3d1i h GLU 43 CO 0.01 0.88 -0.35 1.25 -1.00 0.00 0.00 179.01 179.80 3d1i h HIS 44 N 0.36 -0.97 -0.59 4.33 2.76 -1.64 -1.93 115.15 117.48 3d1i h HIS 44 Ca 0.01 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 3d1i h HIS 44 Cb 1.05 0.43 -0.03 0.00 1.55 0.00 0.00 27.41 30.41 3d1i h HIS 44 CO 0.04 -0.44 0.39 0.28 -1.30 0.00 0.00 177.93 176.90 3d1i h VAL 45 N -0.51 1.08 0.00 5.26 2.07 -0.68 0.13 116.25 123.60 3d1i h VAL 45 Ca 0.06 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3d1i h VAL 45 Cb 0.59 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3d1i h VAL 45 CO -0.28 0.13 -0.22 -0.33 0.02 0.00 0.00 177.57 176.89 3d1i h GLU 46 N 0.70 0.00 0.00 1.57 4.39 -0.94 -3.34 114.58 116.96 3d1i h GLU 46 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3d1i h GLU 46 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3d1i h GLU 46 CO -0.06 0.22 -0.26 0.25 -1.16 0.00 0.00 179.01 178.00 3d1i n THR 47 N -3.70 0.00 -2.36 1.13 -2.24 -0.50 -5.06 114.28 101.55 3d1i n THR 47 Ca -0.01 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.08 3d1i n THR 47 Cb 0.34 0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 3d1i n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d1i s ALA 48 N -1.33 3.19 0.45 6.98 0.00 0.34 -4.31 121.76 127.08 3d1i s ALA 48 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.91 3d1i s ALA 48 Cb 0.01 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 3d1i s ALA 48 CO 0.06 -0.35 0.02 -1.54 0.00 0.00 0.00 175.76 173.95 3d1i s SER 49 N -3.60 3.81 0.32 0.00 1.04 -0.23 -4.97 113.70 110.07 3d1i s SER 49 Ca 0.54 -1.52 0.22 0.00 0.48 0.00 0.00 55.95 55.68 3d1i s SER 49 Cb -0.10 0.09 1.19 0.00 0.10 0.00 0.00 66.02 67.29 3d1i s SER 49 CO 0.41 -0.67 1.69 -1.54 0.98 0.00 0.00 173.24 174.10 3d1i n SER 50 N -1.10 0.59 -0.01 7.02 3.41 -1.26 -2.21 113.62 120.06 3d1i n SER 50 Ca -0.11 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 3d1i n SER 50 Cb 0.67 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3d1i n SER 50 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3d1i n ARG 51 N -2.28 2.63 -3.66 4.33 1.74 -1.26 -4.98 116.66 113.18 3d1i n ARG 51 Ca -0.01 -1.41 -0.10 0.00 -0.77 0.00 0.00 57.85 55.56 3d1i n ARG 51 Cb 0.06 -1.00 -0.10 0.00 -1.02 0.00 0.00 32.46 30.39 3d1i n ARG 51 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3d1i s ARG 52 N -0.91 0.28 0.30 5.56 3.52 -0.94 -5.04 118.95 121.73 3d1i s ARG 52 Ca 0.00 0.96 0.00 0.00 -0.13 0.00 0.00 55.73 56.56 3d1i s ARG 52 Cb 0.00 0.23 0.51 0.00 -1.56 0.00 0.00 34.95 34.13 3d1i s ARG 52 CO 0.00 -0.25 1.93 1.98 -0.81 0.00 0.00 175.30 178.15 3d1i h MET 53 N 8.14 1.01 0.00 5.12 1.85 -1.92 -0.60 114.93 128.54 3d1i h MET 53 Ca -0.16 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 58.86 3d1i h MET 53 Cb 1.11 -0.23 0.00 0.00 0.43 0.00 0.00 31.60 32.91 3d1i h MET 53 CO 0.13 0.67 0.00 0.41 -0.40 0.00 0.00 176.91 177.72 3d1i n GLY 54 N -1.40 1.13 3.76 1.39 0.00 -1.26 -4.13 105.19 104.69 3d1i n GLY 54 Ca 0.12 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3d1i n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d1i s GLU 55 N 0.00 4.17 -0.09 1.61 0.41 -1.26 -4.92 118.70 118.61 3d1i s GLU 55 Ca 0.00 2.49 -0.30 0.00 -0.41 0.00 0.00 54.97 56.76 3d1i s GLU 55 Cb 0.00 -3.02 -0.03 0.00 -1.78 0.00 0.00 34.13 29.31 3d1i s GLU 55 CO 0.00 -0.50 1.23 0.50 -0.49 0.00 0.00 175.26 176.00 3d1i s ARG 56 N -1.33 4.30 0.65 1.61 3.52 -1.26 -4.03 118.95 122.41 3d1i s ARG 56 Ca 0.56 1.68 -0.15 0.00 -0.13 0.00 0.00 55.73 57.70 3d1i s ARG 56 Cb -0.45 -3.64 -0.00 0.00 -1.56 0.00 0.00 34.95 29.29 3d1i s ARG 56 CO 0.54 -0.55 1.10 -1.25 -0.81 0.00 0.00 175.30 174.33 3d1i s PRO 57 N 2.71 2.86 0.02 5.12 0.04 -1.26 -4.85 135.00 139.64 3d1i s PRO 57 Ca 0.56 1.35 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 3d1i s PRO 57 Cb -0.24 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 3d1i s PRO 57 CO 0.19 -1.19 0.54 0.08 0.04 0.00 0.00 177.00 176.66 3d1i s VAL 58 N -2.38 4.88 -0.13 -0.36 1.01 -0.43 -4.93 120.40 118.06 3d1i s VAL 58 Ca 0.66 1.14 0.03 0.00 0.00 0.00 0.00 61.98 63.81 3d1i s VAL 58 Cb -0.20 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3d1i s VAL 58 CO 0.41 0.49 -0.22 -0.89 0.00 0.00 0.00 175.10 174.89 3d1i s THR 59 N -0.65 2.04 0.02 3.92 2.01 -1.26 -1.41 115.64 120.31 3d1i s THR 59 Ca 0.29 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 3d1i s THR 59 Cb -0.18 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 3d1i s THR 59 CO 0.17 0.55 1.10 -0.13 -0.69 0.00 0.00 174.62 175.62 3d1i s ARG 60 N 0.69 4.48 0.00 4.92 0.52 0.10 -4.92 118.95 124.74 3d1i s ARG 60 Ca -0.10 1.60 0.13 0.00 -0.52 0.00 0.00 55.73 56.83 3d1i s ARG 60 Cb -0.16 -3.42 -0.12 0.00 0.52 0.00 0.00 34.95 31.77 3d1i s ARG 60 CO 0.01 -0.19 0.56 -1.33 0.02 0.00 0.00 175.30 174.37 3d1i n MET 61 N 4.08 2.74 -2.14 3.54 2.81 -1.26 -4.96 117.12 121.93 3d1i n MET 61 Ca 0.08 -0.09 -0.38 0.00 -1.81 0.00 0.00 57.70 55.49 3d1i n MET 61 Cb 0.48 -1.10 -0.00 0.00 -0.71 0.00 0.00 33.22 31.89 3d1i n MET 61 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3d1i s ASP 62 N -2.11 6.09 0.51 7.83 -4.77 -1.26 -4.85 116.67 118.11 3d1i s ASP 62 Ca 0.06 2.47 0.29 0.00 -3.30 0.00 0.00 52.55 52.07 3d1i s ASP 62 Cb 0.10 -2.62 1.27 0.00 -1.09 0.00 0.00 42.92 40.58 3d1i s ASP 62 CO 0.49 -0.98 1.96 -0.07 0.70 0.00 0.00 175.17 177.27 3d1i h LEU 63 N 2.17 0.00 -1.69 2.11 4.07 -1.93 -2.58 115.31 117.45 3d1i h LEU 63 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.46 3d1i h LEU 63 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3d1i h LEU 63 CO 0.60 0.11 0.00 -0.33 -1.08 0.00 0.00 178.44 177.75 3d1i h GLU 64 N 0.00 0.00 0.00 1.13 5.08 -1.94 -0.97 114.58 117.88 3d1i h GLU 64 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3d1i h GLU 64 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3d1i h GLU 64 CO 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 177.98 3d1i h ALA 65 N 2.06 1.54 0.00 3.43 0.00 -1.80 -2.21 119.26 122.28 3d1i h ALA 65 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3d1i h ALA 65 Cb 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3d1i h ALA 65 CO 0.00 0.06 -2.07 0.00 0.00 0.00 0.00 179.25 177.23 3d1i h ALA 67 N 1.53 1.05 -0.65 0.00 0.00 -0.95 -0.96 119.26 119.27 3d1i h ALA 67 Ca -0.24 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.56 3d1i h ALA 67 Cb 1.58 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 3d1i h ALA 67 CO 0.02 0.21 0.38 0.00 0.00 0.00 0.00 179.25 179.86 3d1i h THR 68 N 0.00 1.02 -0.00 0.00 1.03 -1.75 -2.57 112.91 110.63 3d1i h THR 68 Ca -0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 3d1i h THR 68 Cb 0.65 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 67.96 3d1i h THR 68 CO 0.02 0.13 -0.61 0.00 -0.01 0.00 0.00 175.52 175.05 3d1i n HIS 70 N -0.92 1.08 -0.27 0.00 8.25 -0.39 -4.95 115.22 118.03 3d1i n HIS 70 Ca 0.04 -3.53 -0.03 0.00 -0.26 0.00 0.00 57.72 53.94 3d1i n HIS 70 Cb 0.29 -0.40 0.13 0.00 1.12 0.00 0.00 29.99 31.13 3d1i n HIS 70 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3d1i h THR 71 N 1.85 1.24 -0.65 1.59 2.02 -1.70 -2.17 112.91 115.09 3d1i h THR 71 Ca 0.06 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 3d1i h THR 71 Cb 0.97 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3d1i h THR 71 CO 0.56 0.28 0.27 0.00 0.37 0.00 0.00 175.52 177.00 3d1i h ALA 72 N 1.32 0.85 -0.39 6.16 0.00 -1.92 0.30 119.26 125.57 3d1i h ALA 72 Ca 0.28 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3d1i h ALA 72 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3d1i h ALA 72 CO -0.04 0.46 -0.06 1.96 0.00 0.00 0.00 179.25 181.57 3d1i h GLN 73 N 0.92 0.73 0.18 0.00 7.50 -1.83 -1.28 115.11 121.34 3d1i h GLN 73 Ca 0.22 -0.26 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 3d1i h GLN 73 Cb 0.19 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.67 3d1i h GLN 73 CO -0.02 0.86 -0.09 0.35 -1.50 0.00 0.00 178.83 178.43 3d1i h PHE 74 N 0.55 -0.23 -0.80 2.96 3.57 -1.09 -0.63 116.94 121.27 3d1i h PHE 74 Ca 0.10 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3d1i h PHE 74 Cb 0.56 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 3d1i h PHE 74 CO 0.05 -0.14 0.35 -0.91 -2.23 0.00 0.00 178.31 175.43 3d1i h ASN 75 N -0.26 1.08 -0.69 0.41 2.35 -0.38 -1.25 115.58 116.84 3d1i h ASN 75 Ca -0.03 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.53 3d1i h ASN 75 Cb 0.20 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 3d1i h ASN 75 CO 0.04 0.93 0.25 0.77 -1.65 0.00 0.00 177.43 177.77 3d1i h SER 76 N 1.15 0.98 -0.61 5.81 4.64 -1.15 -2.86 113.55 121.52 3d1i h SER 76 Ca 0.27 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.43 3d1i h SER 76 Cb 0.17 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.96 3d1i h SER 76 CO -0.03 0.90 0.38 0.15 -0.87 0.00 0.00 176.83 177.36 3d1i h PHE 77 N 1.00 0.71 -0.00 4.77 3.57 -0.40 -3.14 116.94 123.45 3d1i h PHE 77 Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3d1i h PHE 77 Cb 0.25 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3d1i h PHE 77 CO 0.02 0.42 -0.13 1.55 -2.23 0.00 0.00 178.31 177.93 3d1i n VAL 78 N -4.72 0.00 -1.68 1.41 3.14 -0.54 -4.59 118.33 111.36 3d1i n VAL 78 Ca 0.05 -0.01 -0.44 0.00 -2.96 0.00 0.00 64.34 60.98 3d1i n VAL 78 Cb 0.07 -0.26 -0.02 0.00 -1.06 0.00 0.00 33.84 32.57 3d1i n VAL 78 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3d1i n GLU 79 N -1.39 2.07 -3.49 1.45 2.13 -1.09 -4.57 120.64 115.74 3d1i n GLU 79 Ca 0.08 0.73 -0.37 0.00 0.66 0.00 0.00 57.16 58.27 3d1i n GLU 79 Cb 0.32 -2.36 -0.08 0.00 0.27 0.00 0.00 31.44 29.59 3d1i n GLU 79 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3d1i s VAL 80 N -0.39 5.27 -0.69 6.31 1.01 -1.26 -4.84 120.40 125.81 3d1i s VAL 80 Ca 0.64 0.55 -0.23 0.00 0.00 0.00 0.00 61.98 62.94 3d1i s VAL 80 Cb -0.62 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.18 3d1i s VAL 80 CO 0.54 0.32 1.00 -0.60 0.00 0.00 0.00 175.10 176.35 3d1i s ARG 81 N 0.97 3.16 0.52 2.72 3.52 -1.26 -4.88 118.95 123.70 3d1i s ARG 81 Ca 0.16 -0.87 0.28 0.00 -0.13 0.00 0.00 55.73 55.17 3d1i s ARG 81 Cb -0.14 -4.29 1.43 0.00 -1.56 0.00 0.00 34.95 30.39 3d1i s ARG 81 CO 0.06 -1.84 2.05 0.45 -0.81 0.00 0.00 175.30 175.21 3d1i h HIS 82 N 9.55 0.00 0.00 5.12 3.86 -2.02 -1.24 115.15 130.42 3d1i h HIS 82 Ca -0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 3d1i h HIS 82 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3d1i h HIS 82 CO 1.00 0.12 0.00 0.39 0.86 0.00 0.00 177.93 180.29 3d1i n GLU 83 N -3.54 0.08 -2.75 2.45 4.71 -1.26 -4.30 120.64 116.03 3d1i n GLU 83 Ca -0.01 0.24 -0.42 0.00 -0.01 0.00 0.00 57.16 56.95 3d1i n GLU 83 Cb 0.26 -1.63 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 3d1i n GLU 83 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3d1i s SER 84 N -3.48 6.22 0.15 1.62 0.01 -0.47 -4.97 113.70 112.78 3d1i s SER 84 Ca 0.08 -0.93 -0.34 0.00 1.31 0.00 0.00 55.95 56.07 3d1i s SER 84 Cb 0.12 -2.47 -0.15 0.00 0.21 0.00 0.00 66.02 63.73 3d1i s SER 84 CO 0.39 -1.54 1.48 1.41 0.41 0.00 0.00 173.24 175.39 3d1i n HIS 85 N 8.20 2.04 -3.40 2.43 -0.00 -1.26 -4.83 115.22 118.40 3d1i n HIS 85 Ca 0.02 0.40 -0.33 0.00 -0.00 0.00 0.00 57.72 57.81 3d1i n HIS 85 Cb 0.47 -2.47 -0.06 0.00 -0.00 0.00 0.00 29.99 27.94 3d1i n HIS 85 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3d1i s PRO 86 N 0.58 3.86 -1.58 -0.41 0.04 -1.26 -4.36 135.00 131.87 3d1i s PRO 86 Ca 0.79 0.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 3d1i s PRO 86 Cb -0.75 -2.75 0.09 0.00 0.04 0.00 0.00 34.50 31.14 3d1i s PRO 86 CO 0.42 0.38 0.66 -2.13 0.04 0.00 0.00 177.00 176.37 3d1i n ARG 87 N 0.21 -3.42 -3.38 4.56 3.00 -1.26 -4.91 116.66 111.46 3d1i n ARG 87 Ca -0.02 0.40 -0.43 0.00 -0.00 0.00 0.00 57.85 57.81 3d1i n ARG 87 Cb 0.52 -4.91 -0.09 0.00 0.00 0.00 0.00 32.46 27.98 3d1i n ARG 87 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3d1i s LEU 88 N -7.17 4.94 0.13 6.15 1.98 -1.26 -4.96 118.68 118.49 3d1i s LEU 88 Ca 0.46 -0.74 -0.31 0.00 -2.89 0.00 0.00 54.13 50.65 3d1i s LEU 88 Cb -0.25 -2.30 -0.08 0.00 0.66 0.00 0.00 46.19 44.22 3d1i s LEU 88 CO 0.91 -0.52 1.36 -0.70 -1.89 0.00 0.00 176.35 175.51 3d1i s GLU 89 N 1.96 4.34 0.33 1.98 2.56 -1.26 -0.44 118.70 128.17 3d1i s GLU 89 Ca 0.09 2.05 0.15 0.00 0.00 0.00 0.00 54.97 57.27 3d1i s GLU 89 Cb -0.18 -3.24 0.53 0.00 2.00 0.00 0.00 34.13 33.24 3d1i s GLU 89 CO 0.12 -0.39 1.67 0.87 -0.56 0.00 0.00 175.26 176.97 3d1i h LYS 90 N 6.51 0.00 -2.03 4.30 1.57 -1.03 -3.33 116.57 122.57 3d1i h LYS 90 Ca -0.43 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.11 3d1i h LYS 90 Cb 1.21 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.44 3d1i h LYS 90 CO 0.84 0.47 -0.17 0.00 -0.57 0.00 0.00 179.45 180.03 3d1i n ALA 91 N -2.34 6.42 -2.33 3.86 0.00 -1.26 -1.27 120.51 123.59 3d1i n ALA 91 Ca -0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 53.44 51.26 3d1i n ALA 91 Cb 0.56 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 3d1i n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3d1i s THR 92 N 0.55 0.76 0.53 0.00 -4.23 -1.25 -4.86 115.64 107.14 3d1i s THR 92 Ca 0.66 -1.77 0.31 0.00 -1.18 0.00 0.00 61.69 59.70 3d1i s THR 92 Cb 0.33 -1.48 0.35 0.00 1.34 0.00 0.00 72.50 73.03 3d1i s THR 92 CO -0.03 -0.74 2.21 -0.65 -0.54 0.00 0.00 174.62 174.87 3d1i h PRO 93 N 3.28 0.00 -0.24 3.99 0.11 -1.88 -2.07 132.00 135.19 3d1i h PRO 93 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3d1i h PRO 93 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3d1i h PRO 93 CO 0.59 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.67 3d1i n THR 94 N -3.69 0.29 -1.89 -1.15 -2.24 -1.26 -4.81 114.28 99.54 3d1i n THR 94 Ca -0.03 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3d1i n THR 94 Cb 0.14 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3d1i n THR 94 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3d1i n SER 95 N 1.17 0.33 0.13 3.42 2.88 -0.78 -5.05 113.62 115.73 3d1i n SER 95 Ca 0.17 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.69 3d1i n SER 95 Cb 0.54 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.14 3d1i n SER 95 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3d1i h ARG 96 N 0.00 0.02 -2.26 -1.46 2.47 -1.78 -3.41 114.38 107.96 3d1i h ARG 96 Ca 0.00 -0.02 -0.56 0.00 -1.26 0.00 0.00 59.98 58.15 3d1i h ARG 96 Cb 0.00 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 27.96 3d1i h ARG 96 CO 0.00 0.67 -0.94 0.45 0.56 0.00 0.00 179.97 180.70 3d1i s SER 97 N -6.84 1.21 0.46 7.04 0.15 -0.40 -4.92 113.70 110.41 3d1i s SER 97 Ca -0.01 -2.95 0.18 0.00 0.70 0.00 0.00 55.95 53.86 3d1i s SER 97 Cb 0.12 -0.26 1.15 0.00 -1.71 0.00 0.00 66.02 65.33 3d1i s SER 97 CO 0.77 -0.16 1.97 -0.65 1.20 0.00 0.00 173.24 176.37 3d1i h PRO 98 N 5.62 0.27 -0.59 5.44 0.11 -1.73 -1.66 132.00 139.47 3d1i h PRO 98 Ca 0.25 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 66.10 3d1i h PRO 98 Cb 0.93 -0.06 -0.14 0.00 0.11 0.00 0.00 31.00 31.83 3d1i h PRO 98 CO 0.34 0.18 0.19 -1.33 -0.21 0.00 0.00 178.00 177.18 3d1i n MET 99 N -4.45 2.55 -0.31 1.05 2.81 -1.26 -4.52 117.12 112.99 3d1i n MET 99 Ca 0.11 -3.07 -0.02 0.00 -1.81 0.00 0.00 57.70 52.91 3d1i n MET 99 Cb 0.48 -2.00 0.15 0.00 -0.71 0.00 0.00 33.22 31.13 3d1i n MET 99 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3d1i h PHE 100 N 1.52 1.15 -0.39 2.03 3.57 -1.63 -2.08 116.94 121.11 3d1i h PHE 100 Ca 0.30 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 3d1i h PHE 100 Cb 2.08 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 40.42 3d1i h PHE 100 CO 1.15 0.75 0.20 -0.44 -2.23 0.00 0.00 178.31 177.74 3d1i h ASP 101 N 1.22 0.50 -0.52 0.41 3.32 -1.84 0.23 116.42 119.75 3d1i h ASP 101 Ca 0.32 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3d1i h ASP 101 Cb -0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3d1i h ASP 101 CO -0.07 0.47 0.31 0.50 -1.72 0.00 0.00 179.24 178.73 3d1i h LYS 102 N 0.50 0.71 -0.00 3.56 3.64 -1.87 -2.31 116.57 120.80 3d1i h LYS 102 Ca 0.14 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.27 3d1i h LYS 102 Cb 0.09 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3d1i h LYS 102 CO -0.02 0.52 -0.81 -0.07 -2.27 0.00 0.00 179.45 176.80 3d1i h LEU 103 N 0.69 0.15 -2.04 5.20 4.07 -0.73 -3.24 115.31 119.42 3d1i h LEU 103 Ca 0.18 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.03 3d1i h LEU 103 Cb -0.00 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.69 3d1i h LEU 103 CO -0.03 0.89 0.00 0.00 -1.08 0.00 0.00 178.44 178.22 3d1i n ILE 104 N -3.66 0.20 -1.63 1.22 0.13 0.75 -4.99 119.36 111.39 3d1i n ILE 104 Ca -0.02 -0.59 -0.50 0.00 -1.10 0.00 0.00 62.75 60.54 3d1i n ILE 104 Cb 0.77 1.24 -0.05 0.00 -0.84 0.00 0.00 39.64 40.75 3d1i n ILE 104 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3d1i n ALA 105 N 1.35 -0.13 0.00 1.51 0.00 -0.87 -0.67 120.51 121.70 3d1i n ALA 105 Ca 0.16 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3d1i n ALA 105 Cb 0.59 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3d1i n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d1i n GLY 106 N 3.01 1.73 3.83 0.00 0.00 -1.26 -0.94 105.19 111.56 3d1i n GLY 106 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3d1i n GLY 106 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d1i s HIS 107 N -2.35 3.29 0.57 1.61 5.04 0.15 -4.79 115.29 118.81 3d1i s HIS 107 Ca 0.00 0.11 0.32 0.00 -1.54 0.00 0.00 55.06 53.95 3d1i s HIS 107 Cb 0.00 -1.64 1.87 0.00 0.04 0.00 0.00 32.58 32.85 3d1i s HIS 107 CO 0.00 0.54 2.25 0.78 -2.34 0.00 0.00 174.74 175.97 3d1i h GLY 108 N 3.00 0.00 2.00 1.59 0.00 -1.97 -2.33 103.07 105.36 3d1i h GLY 108 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3d1i h GLY 108 CO 0.68 0.00 -0.01 0.74 0.00 0.00 0.00 176.54 177.95 3d1i h PHE 109 N 0.00 0.00 -0.03 5.60 -1.00 -1.90 -0.69 116.94 118.92 3d1i h PHE 109 Ca -0.00 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 3d1i h PHE 109 Cb 0.05 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 3d1i h PHE 109 CO 0.00 0.01 0.04 0.00 -1.61 0.00 0.00 178.31 176.75 3d1i h ALA 110 N 1.99 1.41 -0.02 2.45 0.00 -1.70 -2.35 119.26 121.03 3d1i h ALA 110 Ca -0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3d1i h ALA 110 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3d1i h ALA 110 CO 0.00 -0.06 -0.80 0.74 0.00 0.00 0.00 179.25 179.13 3d1i h PHE 111 N 0.00 0.34 -1.04 0.00 0.04 -1.35 -3.47 116.94 111.46 3d1i h PHE 111 Ca 0.01 -0.17 0.20 0.00 2.80 0.00 0.00 57.97 60.82 3d1i h PHE 111 Cb 0.10 -0.04 -0.33 0.00 2.20 0.00 0.00 35.95 37.87 3d1i h PHE 111 CO 0.00 0.94 0.88 -2.00 -0.60 0.00 0.00 178.31 177.53 3d1i s GLU 112 N -3.37 0.04 -0.31 1.51 2.12 -0.89 -4.72 118.70 113.08 3d1i s GLU 112 Ca -0.04 0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.36 3d1i s GLU 112 Cb 0.10 0.02 0.16 0.00 0.26 0.00 0.00 34.13 34.67 3d1i s GLU 112 CO 0.82 -0.00 0.39 -1.58 -0.54 0.00 0.00 175.26 174.35 3d1i s HIS 113 N 0.18 -0.78 0.40 5.30 2.46 -1.24 -4.57 115.29 117.04 3d1i s HIS 113 Ca 0.05 -0.03 -0.02 0.00 0.47 0.00 0.00 55.06 55.53 3d1i s HIS 113 Cb -0.05 -0.25 -0.03 0.00 -0.13 0.00 0.00 32.58 32.12 3d1i s HIS 113 CO -0.15 -0.98 0.65 0.00 -2.47 0.00 0.00 174.74 171.79 3d1i s ALA 114 N 2.23 3.57 0.67 1.58 0.00 -1.26 -0.38 121.76 128.17 3d1i s ALA 114 Ca 0.11 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.18 3d1i s ALA 114 Cb -0.13 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.68 3d1i s ALA 114 CO -0.24 -0.16 1.22 -1.21 0.00 0.00 0.00 175.76 175.37 3d1i s GLU 115 N -4.49 2.51 0.56 0.00 2.02 0.41 -4.81 118.70 114.91 3d1i s GLU 115 Ca 0.43 1.83 -0.19 0.00 0.02 0.00 0.00 54.97 57.06 3d1i s GLU 115 Cb -0.10 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 3d1i s GLU 115 CO 0.40 -1.57 1.12 -1.25 0.02 0.00 0.00 175.26 173.99 3d1i s PRO 116 N -3.63 3.26 0.00 0.39 0.04 -1.26 -4.66 135.00 129.14 3d1i s PRO 116 Ca 0.77 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3d1i s PRO 116 Cb -0.31 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3d1i s PRO 116 CO 0.40 -0.91 0.00 2.89 0.04 0.00 0.00 177.00 179.42 3d1i n ARG 117 N -1.50 1.62 -1.72 4.56 1.85 -1.26 -4.83 116.66 115.39 3d1i n ARG 117 Ca 0.11 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.59 3d1i n ARG 117 Cb 0.51 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.98 3d1i n ARG 117 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3d1i n SER 118 N -1.16 2.14 -0.07 2.89 7.64 -1.26 -4.87 113.62 118.93 3d1i n SER 118 Ca 0.00 0.89 0.20 0.00 1.01 0.00 0.00 58.87 60.97 3d1i n SER 118 Cb 0.00 -1.54 0.64 0.00 -1.01 0.00 0.00 64.21 62.30 3d1i n SER 118 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3d1i h HIS 119 N 0.89 0.13 -0.85 1.43 3.86 -1.88 -1.91 115.15 116.82 3d1i h HIS 119 Ca -0.50 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 58.93 3d1i h HIS 119 Cb 1.33 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.71 3d1i h HIS 119 CO 0.42 0.05 0.59 0.00 0.86 0.00 0.00 177.93 179.85 3d1i h ALA 120 N 1.69 2.53 -0.23 2.45 0.00 -1.88 -1.76 119.26 122.06 3d1i h ALA 120 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3d1i h ALA 120 Cb 1.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3d1i h ALA 120 CO -0.04 -0.78 0.00 1.19 0.00 0.00 0.00 179.25 179.62 3d1i n PHE 121 N -4.39 0.29 -0.32 0.00 3.72 -0.72 -4.26 117.46 111.78 3d1i n PHE 121 Ca 0.18 -0.14 -0.04 0.00 -0.05 0.00 0.00 57.45 57.39 3d1i n PHE 121 Cb 0.80 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.43 3d1i n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d1i h MET 122 N 3.11 1.24 -0.05 -1.08 -0.00 -1.47 0.17 114.93 116.85 3d1i h MET 122 Ca 0.00 -0.16 -0.15 0.00 -0.00 0.00 0.00 59.70 59.39 3d1i h MET 122 Cb 0.68 -0.23 0.01 0.00 -0.00 0.00 0.00 31.60 32.06 3d1i h MET 122 CO 0.00 0.93 -0.57 1.25 -0.00 0.00 0.00 176.91 178.52 3d1i h LEU 123 N 1.24 0.58 -0.84 -0.10 5.85 -1.81 -2.05 115.31 118.17 3d1i h LEU 123 Ca 0.31 -0.70 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 3d1i h LEU 123 Cb 0.07 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3d1i h LEU 123 CO -0.04 1.20 0.23 -0.37 -0.34 0.00 0.00 178.44 179.12 3d1i h VAL 124 N 0.01 1.25 -0.57 1.05 -1.51 -1.82 -1.39 116.25 113.26 3d1i h VAL 124 Ca -0.06 -0.87 -0.11 0.00 -1.23 0.00 0.00 66.70 64.44 3d1i h VAL 124 Cb 1.25 0.46 -0.02 0.00 -2.13 0.00 0.00 31.29 30.85 3d1i h VAL 124 CO 0.11 0.34 -0.06 0.44 -1.23 0.00 0.00 177.57 177.17 3d1i h ASP 125 N 1.05 1.05 -0.81 4.19 3.32 -0.66 -1.13 116.42 123.43 3d1i h ASP 125 Ca 0.23 -0.33 0.08 0.00 0.02 0.00 0.00 57.03 57.04 3d1i h ASP 125 Cb 0.28 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3d1i h ASP 125 CO -0.01 1.13 0.47 -0.74 -1.72 0.00 0.00 179.24 178.37 3d1i h HIS 126 N 0.95 0.86 -0.28 4.55 -0.00 -1.12 -1.60 115.15 118.51 3d1i h HIS 126 Ca 0.16 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.40 3d1i h HIS 126 Cb 0.63 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 3d1i h HIS 126 CO 0.04 0.38 -0.46 0.74 -0.00 0.00 0.00 177.93 178.63 3d1i h PHE 127 N 0.82 0.88 -0.00 5.26 0.04 -0.55 -3.33 116.94 120.06 3d1i h PHE 127 Ca 0.38 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3d1i h PHE 127 Cb 0.30 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3d1i h PHE 127 CO -0.06 1.05 -0.85 1.33 -0.60 0.00 0.00 178.31 179.19 3d1i n VAL 128 N -4.01 0.00 -1.89 -0.55 0.24 -0.49 -4.42 118.33 107.20 3d1i n VAL 128 Ca -0.03 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.34 61.87 3d1i n VAL 128 Cb 0.57 0.83 0.02 0.00 -1.47 0.00 0.00 33.84 33.78 3d1i n VAL 128 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3d1i s VAL 129 N -2.97 2.30 0.55 3.34 0.11 -0.62 -4.87 120.40 118.25 3d1i s VAL 129 Ca 0.09 0.24 0.36 0.00 -2.93 0.00 0.00 61.98 59.75 3d1i s VAL 129 Cb 0.17 -3.13 0.39 0.00 -1.53 0.00 0.00 36.38 32.27 3d1i s VAL 129 CO 0.81 0.01 2.25 0.44 -3.33 0.00 0.00 175.10 175.28 3d1i h ASP 130 N 1.95 0.00 0.50 3.54 3.32 -1.88 -2.69 116.42 121.16 3d1i h ASP 130 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3d1i h ASP 130 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3d1i h ASP 130 CO 0.59 0.02 -0.13 -2.11 -1.72 0.00 0.00 179.24 175.90 3d1i n ARG 131 N -3.42 0.47 -0.11 3.56 1.85 -1.26 -1.27 116.66 116.48 3d1i n ARG 131 Ca -0.02 -0.15 -0.20 0.00 -1.00 0.00 0.00 57.85 56.48 3d1i n ARG 131 Cb 0.13 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 29.97 3d1i n ARG 131 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3d1i n ALA 132 N -1.14 1.02 -2.06 2.89 0.00 -1.01 -1.33 120.51 118.88 3d1i n ALA 132 Ca 0.12 -0.93 0.05 0.00 0.00 0.00 0.00 53.44 52.68 3d1i n ALA 132 Cb 0.29 0.06 0.11 0.00 0.00 0.00 0.00 19.45 19.91 3d1i n ALA 132 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3d1i n TYR 133 N -4.36 0.00 -1.97 0.00 4.02 -1.19 -1.02 117.16 112.64 3d1i n TYR 133 Ca -0.35 -0.96 -0.19 0.00 -0.01 0.00 0.00 57.90 56.40 3d1i n TYR 133 Cb 0.70 -0.19 -0.04 0.00 -0.02 0.00 0.00 39.34 39.78 3d1i n TYR 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d1i n GLY 134 N -0.28 0.67 2.24 2.72 0.00 0.12 -1.48 105.19 109.18 3d1i n GLY 134 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 3d1i n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d1i n GLY 135 N -0.84 0.41 0.22 -0.02 0.00 -1.26 0.84 105.19 104.53 3d1i n GLY 135 Ca -0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 3d1i n GLY 135 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3d1i h ARG 136 N 0.69 0.60 -5.51 1.61 2.43 -1.54 -3.42 114.38 109.24 3d1i h ARG 136 Ca -0.01 -0.04 -0.64 0.00 -0.81 0.00 0.00 59.98 58.48 3d1i h ARG 136 Cb 0.26 -0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 29.56 3d1i h ARG 136 CO 0.01 0.40 -0.51 -0.06 -1.51 0.00 0.00 179.97 178.29 3d1i s PHE 137 N -6.13 3.43 0.05 2.20 0.08 -1.26 -0.32 117.98 116.03 3d1i s PHE 137 Ca -0.13 0.35 -0.03 0.00 0.12 0.00 0.00 56.93 57.24 3d1i s PHE 137 Cb 0.14 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3d1i s PHE 137 CO 0.74 0.48 0.04 -0.65 -0.10 0.00 0.00 175.22 175.73 3d1i s GLN 138 N -0.37 0.63 0.59 0.44 -1.52 -0.83 -4.38 119.66 114.21 3d1i s GLN 138 Ca 0.11 -1.03 -0.20 0.00 -1.95 0.00 0.00 55.36 52.29 3d1i s GLN 138 Cb -0.12 0.23 -0.03 0.00 -0.22 0.00 0.00 33.01 32.87 3d1i s GLN 138 CO 0.01 -0.14 1.33 -0.06 -0.25 0.00 0.00 175.29 176.18 3d1i s PHE 139 N -3.46 2.20 0.38 0.91 0.08 -1.26 -0.65 117.98 116.18 3d1i s PHE 139 Ca 0.02 1.41 0.10 0.00 0.12 0.00 0.00 56.93 58.59 3d1i s PHE 139 Cb 0.04 -3.76 0.87 0.00 -0.57 0.00 0.00 43.02 39.60 3d1i s PHE 139 CO -0.08 -2.92 1.93 0.87 -0.10 0.00 0.00 175.22 174.92 3d1i h LYS 140 N 1.10 0.60 -2.95 0.44 1.57 -1.02 -3.43 116.57 112.89 3d1i h LYS 140 Ca -0.51 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.29 3d1i h LYS 140 Cb 1.31 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 3d1i h LYS 140 CO 0.56 0.40 0.27 0.54 -0.57 0.00 0.00 179.45 180.64 3d1i s ASN 141 N -6.04 -0.17 0.00 0.86 2.20 -1.26 -4.98 114.94 105.54 3d1i s ASN 141 Ca -0.09 -0.76 0.21 0.00 -0.94 0.00 0.00 52.86 51.28 3d1i s ASN 141 Cb 0.20 0.75 0.98 0.00 -2.00 0.00 0.00 41.25 41.18 3d1i s ASN 141 CO 0.77 -1.42 1.65 0.79 -2.94 0.00 0.00 177.10 175.96 3d1i n TRP 142 N -0.49 0.00 0.14 1.54 7.02 -1.26 -2.39 117.44 122.01 3d1i n TRP 142 Ca -0.05 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.42 3d1i n TRP 142 Cb 0.59 -0.37 0.17 0.00 -2.42 0.00 0.00 31.31 29.29 3d1i n TRP 142 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3d1i h GLN 143 N 0.00 0.00 0.00 -0.99 4.20 -1.97 -3.30 115.11 113.05 3d1i h GLN 143 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d1i h GLN 143 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3d1i h GLN 143 CO 0.00 0.61 0.00 0.87 -0.67 0.00 0.00 178.83 179.64 3d1i h LYS 144 N 0.00 0.00 -0.05 1.46 1.79 -1.84 -2.98 116.57 114.95 3d1i h LYS 144 Ca -0.01 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3d1i h LYS 144 Cb 1.12 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3d1i h LYS 144 CO 0.08 0.00 0.14 -0.39 -1.08 0.00 0.00 179.45 178.20 3d1i h VAL 145 N 0.00 0.17 0.00 0.50 -1.51 -1.76 -1.59 116.25 112.06 3d1i h VAL 145 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3d1i h VAL 145 Cb 0.38 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 3d1i h VAL 145 CO 0.00 0.00 -0.26 0.35 -1.23 0.00 0.00 177.57 176.43 3d1i n THR 146 N -3.29 0.40 -3.03 7.19 -2.24 -1.13 -4.77 114.28 107.41 3d1i n THR 146 Ca -0.01 -0.23 -0.44 0.00 -2.27 0.00 0.00 64.05 61.09 3d1i n THR 146 Cb 0.22 -0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3d1i n THR 146 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d1i s ASP 147 N -4.15 7.12 0.12 3.42 -1.08 -0.60 -4.78 116.67 116.71 3d1i s ASP 147 Ca 0.09 -3.12 -0.15 0.00 -0.52 0.00 0.00 52.55 48.86 3d1i s ASP 147 Cb 0.14 -2.36 -0.04 0.00 -1.46 0.00 0.00 42.92 39.20 3d1i s ASP 147 CO 0.64 -0.65 1.53 1.23 0.52 0.00 0.00 175.17 178.44 3d1i h GLY 148 N 9.08 0.75 1.03 2.66 0.00 -1.86 -1.14 103.07 113.59 3d1i h GLY 148 Ca 0.29 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3d1i h GLY 148 CO 1.20 0.55 0.34 1.98 0.00 0.00 0.00 176.54 180.60 3d1i h MET 149 N 0.50 1.11 -0.45 4.80 1.85 -1.86 -1.28 114.93 119.60 3d1i h MET 149 Ca 0.10 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 3d1i h MET 149 Cb 0.56 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.38 3d1i h MET 149 CO 0.03 0.89 0.29 0.78 -0.40 0.00 0.00 176.91 178.49 3d1i h GLY 150 N 1.08 0.65 0.62 1.39 0.00 -1.92 0.17 103.07 105.05 3d1i h GLY 150 Ca 0.26 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3d1i h GLY 150 CO -0.03 0.25 0.35 0.00 0.00 0.00 0.00 176.54 177.12 3d1i h ALA 151 N 1.14 0.90 -0.48 3.60 0.00 -0.80 -0.80 119.26 122.82 3d1i h ALA 151 Ca 0.16 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3d1i h ALA 151 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3d1i h ALA 151 CO -0.03 0.00 0.09 0.28 0.00 0.00 0.00 179.25 179.59 3d1i h VAL 152 N 0.64 1.24 -0.92 0.00 2.07 -0.76 -2.27 116.25 116.25 3d1i h VAL 152 Ca 0.31 -0.89 0.11 0.00 0.82 0.00 0.00 66.70 67.04 3d1i h VAL 152 Cb 0.24 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 3d1i h VAL 152 CO -0.21 0.32 0.59 0.03 0.02 0.00 0.00 177.57 178.32 3d1i h ARG 153 N 0.65 0.88 0.00 1.57 3.08 -0.53 -3.43 114.38 116.60 3d1i h ARG 153 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3d1i h ARG 153 Cb 0.37 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3d1i h ARG 153 CO 0.01 0.58 0.00 0.41 -1.07 0.00 0.00 179.97 179.90 3d1i n GLY 154 N -1.39 3.01 0.30 0.04 0.00 -0.35 -4.89 105.19 101.91 3d1i n GLY 154 Ca 0.16 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.18 3d1i n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1i h ALA 155 N 0.00 1.25 -0.00 4.61 0.00 -0.84 -0.24 119.26 124.04 3d1i h ALA 155 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3d1i h ALA 155 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3d1i h ALA 155 CO 0.00 -0.17 -0.00 0.91 0.00 0.00 0.00 179.25 179.99 3d1i n TRP 156 N -4.94 0.00 0.25 0.00 7.02 -1.26 -1.56 117.44 116.95 3d1i n TRP 156 Ca 0.17 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.78 3d1i n TRP 156 Cb 0.47 -0.08 0.21 0.00 -2.42 0.00 0.00 31.31 29.50 3d1i n TRP 156 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3d1i h THR 157 N 0.08 0.00 0.00 -0.99 1.35 -1.34 -3.37 112.91 108.64 3d1i h THR 157 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3d1i h THR 157 Cb 0.09 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3d1i h THR 157 CO 0.00 0.00 -0.18 1.33 -0.25 0.00 0.00 175.52 176.42 3d1i n VAL 158 N -3.05 0.00 -4.29 6.82 0.24 -0.60 -5.01 118.33 112.44 3d1i n VAL 158 Ca 0.04 -0.42 -0.23 0.00 -2.04 0.00 0.00 64.34 61.69 3d1i n VAL 158 Cb 0.51 0.95 -0.07 0.00 -1.47 0.00 0.00 33.84 33.76 3d1i n VAL 158 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3d1i s LEU 159 N -2.18 3.18 0.23 1.34 1.43 -0.74 -0.40 118.68 121.54 3d1i s LEU 159 Ca 0.01 -0.68 0.11 0.00 -1.03 0.00 0.00 54.13 52.53 3d1i s LEU 159 Cb 0.01 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 3d1i s LEU 159 CO 0.07 -0.03 -0.19 0.42 0.23 0.00 0.00 176.35 176.85 3d1i s THR 160 N -2.35 2.22 -0.17 5.49 -4.23 0.18 -4.73 115.64 112.04 3d1i s THR 160 Ca 0.32 -2.23 -0.01 0.00 -1.18 0.00 0.00 61.69 58.58 3d1i s THR 160 Cb -0.06 -2.15 -0.00 0.00 1.34 0.00 0.00 72.50 71.62 3d1i s THR 160 CO 0.20 -0.38 -0.11 -0.62 -0.54 0.00 0.00 174.62 173.17 3d1i s ASP 161 N -3.20 3.92 0.58 3.99 -1.08 -1.26 -1.97 116.67 117.66 3d1i s ASP 161 Ca 0.25 -0.42 0.34 0.00 -0.52 0.00 0.00 52.55 52.20 3d1i s ASP 161 Cb -0.05 -1.63 1.81 0.00 -1.46 0.00 0.00 42.92 41.59 3d1i s ASP 161 CO 0.11 0.06 2.18 0.00 0.52 0.00 0.00 175.17 178.04 3d1i h ALA 162 N 7.50 1.18 -1.47 3.66 0.00 -1.00 -3.35 119.26 125.77 3d1i h ALA 162 Ca -0.36 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.24 3d1i h ALA 162 Cb 1.18 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.72 3d1i h ALA 162 CO 0.59 0.06 -0.63 0.34 0.00 0.00 0.00 179.25 179.60 3d1i s ASP 163 N -5.75 -0.38 0.49 0.00 2.15 -1.26 -4.98 116.67 106.94 3d1i s ASP 163 Ca -0.03 -1.90 0.27 0.00 0.43 0.00 0.00 52.55 51.32 3d1i s ASP 163 Cb 0.13 1.15 1.47 0.00 -0.30 0.00 0.00 42.92 45.37 3d1i s ASP 163 CO 0.52 -0.13 1.81 -0.65 -0.17 0.00 0.00 175.17 176.54 3d1i h PRO 164 N 5.74 0.00 -0.01 4.34 0.11 -2.00 -2.47 132.00 137.72 3d1i h PRO 164 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3d1i h PRO 164 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3d1i h PRO 164 CO 0.14 0.00 -0.06 0.39 -0.21 0.00 0.00 178.00 178.26 3d1i n GLU 165 N -2.56 1.33 -4.15 1.05 -0.58 -1.26 -4.84 120.64 109.63 3d1i n GLU 165 Ca -0.02 -0.68 -0.14 0.00 -0.42 0.00 0.00 57.16 55.90 3d1i n GLU 165 Cb 0.20 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.47 3d1i n GLU 165 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3d1i s SER 166 N -2.14 1.34 -0.01 1.62 1.04 -0.93 -5.05 113.70 109.57 3d1i s SER 166 Ca 0.36 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 56.05 3d1i s SER 166 Cb 0.21 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.36 3d1i s SER 166 CO 0.39 -0.25 0.93 -1.54 0.98 0.00 0.00 173.24 173.76 3d1i n SER 167 N 0.77 1.68 -4.84 7.02 3.41 -1.26 -4.91 113.62 115.49 3d1i n SER 167 Ca -0.18 -1.93 -0.33 0.00 -0.26 0.00 0.00 58.87 56.18 3d1i n SER 167 Cb 0.57 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 3d1i n SER 167 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3d1i s ASP 168 N -1.00 6.84 -0.28 4.04 -4.77 -1.26 -4.31 116.67 115.93 3d1i s ASP 168 Ca 0.03 1.44 -0.29 0.00 -3.30 0.00 0.00 52.55 50.43 3d1i s ASP 168 Cb 0.02 -2.44 -0.00 0.00 -1.09 0.00 0.00 42.92 39.41 3d1i s ASP 168 CO 0.00 -0.27 1.32 -1.10 0.70 0.00 0.00 175.17 175.82 3d1i s GLN 169 N -3.08 3.93 0.24 2.11 -1.52 -1.26 -4.96 119.66 115.12 3d1i s GLN 169 Ca 0.57 1.32 -0.09 0.00 -1.95 0.00 0.00 55.36 55.21 3d1i s GLN 169 Cb -0.10 -3.88 -0.01 0.00 -0.22 0.00 0.00 33.01 28.80 3d1i s GLN 169 CO 0.16 -1.10 0.38 -0.98 -0.25 0.00 0.00 175.29 173.50 3d1i s ARG 170 N 4.15 1.47 -0.20 2.91 1.70 -1.26 -5.06 118.95 122.65 3d1i s ARG 170 Ca 0.57 -1.39 -0.23 0.00 -0.47 0.00 0.00 55.73 54.22 3d1i s ARG 170 Cb -0.18 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.60 3d1i s ARG 170 CO 0.23 -0.58 0.73 1.03 -1.08 0.00 0.00 175.30 175.63 3d1i s ARG 171 N -4.01 4.23 -0.06 3.89 0.52 -1.26 -4.06 118.95 118.20 3d1i s ARG 171 Ca 0.28 0.80 0.19 0.00 -0.52 0.00 0.00 55.73 56.47 3d1i s ARG 171 Cb 0.02 -3.59 -0.23 0.00 0.52 0.00 0.00 34.95 31.66 3d1i s ARG 171 CO 0.10 -0.32 0.45 1.19 0.02 0.00 0.00 175.30 176.74 3d1i n PHE 172 N 5.29 0.35 -4.38 -0.53 3.01 0.25 -4.93 117.46 116.52 3d1i n PHE 172 Ca 0.02 0.12 -0.29 0.00 1.01 0.00 0.00 57.45 58.30 3d1i n PHE 172 Cb 0.49 -0.89 -0.13 0.00 -0.01 0.00 0.00 39.48 38.94 3d1i n PHE 172 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3d1i s LEU 173 N -5.32 2.39 0.14 4.37 1.43 -1.08 -5.02 118.68 115.59 3d1i s LEU 173 Ca -0.07 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.16 3d1i s LEU 173 Cb 0.09 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 45.06 3d1i s LEU 173 CO 0.85 0.18 1.66 0.77 0.23 0.00 0.00 176.35 180.03 3d1i h SER 174 N 3.81 0.67 -2.50 2.29 4.64 -1.91 -3.26 113.55 117.29 3d1i h SER 174 Ca -0.51 -0.21 -0.75 0.00 -0.47 0.00 0.00 61.79 59.85 3d1i h SER 174 Cb 1.17 -0.18 -0.31 0.00 -0.31 0.00 0.00 62.40 62.77 3d1i h SER 174 CO 0.41 0.70 0.51 0.00 -0.87 0.00 0.00 176.83 177.58 3d1i n GLN 175 N -4.54 4.42 -4.35 4.77 1.13 -1.26 -4.93 117.38 112.62 3d1i n GLN 175 Ca 0.01 -4.65 -0.18 0.00 -1.94 0.00 0.00 57.00 50.24 3d1i n GLN 175 Cb 0.19 -2.43 -0.10 0.00 0.11 0.00 0.00 30.24 28.01 3d1i n GLN 175 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3d1i s THR 176 N -3.53 0.73 0.31 5.09 -4.23 -1.23 -4.90 115.64 107.88 3d1i s THR 176 Ca 0.37 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.91 3d1i s THR 176 Cb 0.14 -2.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 3d1i s THR 176 CO -0.02 -0.01 0.11 0.00 -0.54 0.00 0.00 174.62 174.15 3d1i s ALA 177 N -3.63 2.13 -0.43 3.99 0.00 -0.39 -4.91 121.76 118.52 3d1i s ALA 177 Ca 0.37 -1.78 0.08 0.00 0.00 0.00 0.00 51.96 50.63 3d1i s ALA 177 Cb 0.08 0.93 0.41 0.00 0.00 0.00 0.00 23.12 24.55 3d1i s ALA 177 CO 0.14 -0.42 1.03 0.25 0.00 0.00 0.00 175.76 176.77 3d1i n THR 178 N -0.62 2.07 0.36 0.00 -2.24 -1.23 -0.70 114.28 111.93 3d1i n THR 178 Ca -0.01 -4.63 0.14 0.00 -2.27 0.00 0.00 64.05 57.27 3d1i n THR 178 Cb 0.66 -0.84 0.43 0.00 -2.10 0.00 0.00 70.33 68.47 3d1i n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d1i h ALA 179 N 2.75 1.00 -2.96 6.98 0.00 -0.91 -3.46 119.26 122.66 3d1i h ALA 179 Ca 0.18 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.55 3d1i h ALA 179 Cb 0.91 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.82 3d1i h ALA 179 CO 0.76 0.00 0.60 0.00 0.00 0.00 0.00 179.25 180.60 3d1i s ALA 180 N -3.33 2.91 0.20 0.00 0.00 -0.19 -4.99 121.76 116.36 3d1i s ALA 180 Ca 0.06 1.27 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 3d1i s ALA 180 Cb 0.09 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 3d1i s ALA 180 CO 0.57 -1.20 0.38 0.54 0.00 0.00 0.00 175.76 176.04 3d1i s ASN 181 N -0.96 -0.04 0.61 0.00 2.20 -1.26 -4.91 114.94 110.57 3d1i s ASN 181 Ca 0.68 -0.88 0.34 0.00 -0.94 0.00 0.00 52.86 52.06 3d1i s ASN 181 Cb -0.39 0.51 1.99 0.00 -2.00 0.00 0.00 41.25 41.36 3d1i s ASN 181 CO 0.46 -1.00 2.28 -0.65 -2.94 0.00 0.00 177.10 175.26 3d1i h PRO 182 N 2.40 0.00 -0.55 3.55 0.11 -1.85 -2.32 132.00 133.34 3d1i h PRO 182 Ca -0.29 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 3d1i h PRO 182 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3d1i h PRO 182 CO 0.42 0.00 -0.05 0.28 -0.21 0.00 0.00 178.00 178.45 3d1i h VAL 183 N 0.00 1.26 -0.88 3.15 2.07 -1.88 -2.75 116.25 117.22 3d1i h VAL 183 Ca -0.00 -1.18 0.23 0.00 0.82 0.00 0.00 66.70 66.58 3d1i h VAL 183 Cb 0.02 0.88 -0.14 0.00 -1.52 0.00 0.00 31.29 30.53 3d1i h VAL 183 CO 0.00 0.42 0.28 0.00 0.02 0.00 0.00 177.57 178.29 3d1i h LEU 185 N 0.25 0.00 -1.70 0.00 -0.00 -1.62 -1.97 115.31 110.27 3d1i h LEU 185 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.43 3d1i h LEU 185 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 3d1i h LEU 185 CO -0.62 0.03 0.00 0.78 -0.00 0.00 0.00 178.44 178.63 3d1i h ASN 186 N 0.00 0.00 -0.52 -0.43 2.35 -1.48 -0.00 115.58 115.50 3d1i h ASN 186 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d1i h ASN 186 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3d1i h ASN 186 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 3d1i n LYS 188 N 0.74 3.16 -3.46 0.00 4.76 -0.12 -4.96 118.16 118.28 3d1i n LYS 188 Ca 0.22 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.53 3d1i n LYS 188 Cb 0.77 -0.99 -0.03 0.00 -1.84 0.00 0.00 35.03 32.94 3d1i n LYS 188 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3d1i s THR 189 N -1.98 0.00 -0.16 -0.18 -1.32 -0.60 -2.40 115.64 109.00 3d1i s THR 189 Ca 0.00 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.63 3d1i s THR 189 Cb 0.00 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.42 3d1i s THR 189 CO 0.00 0.00 1.20 0.00 -2.21 0.00 0.00 174.62 173.61 3d1i n GLN 190 N -0.01 1.41 0.18 7.08 1.13 -1.26 -4.26 117.38 121.64 3d1i n GLN 190 Ca -0.16 -3.07 0.15 0.00 -1.94 0.00 0.00 57.00 51.99 3d1i n GLN 190 Cb 0.62 -1.25 0.75 0.00 0.11 0.00 0.00 30.24 30.47 3d1i n GLN 190 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3d1i h ASP 191 N 1.24 0.00 -0.42 1.08 5.19 -1.92 -1.39 116.42 120.21 3d1i h ASP 191 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3d1i h ASP 191 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 3d1i h ASP 191 CO 0.13 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.25 3d1i n HIS 192 N -4.14 0.95 0.04 4.55 1.44 -1.26 -4.59 115.22 112.21 3d1i n HIS 192 Ca 0.02 -0.38 0.16 0.00 -2.01 0.00 0.00 57.72 55.51 3d1i n HIS 192 Cb 0.30 -0.17 0.65 0.00 0.12 0.00 0.00 29.99 30.89 3d1i n HIS 192 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 3d1i h ILE 193 N 2.63 0.82 -0.37 0.61 2.10 -1.61 0.13 117.51 121.83 3d1i h ILE 193 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 3d1i h ILE 193 Cb 1.01 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 3d1i h ILE 193 CO 0.15 0.01 0.00 0.18 -1.08 0.00 0.00 178.15 177.41 3d1i n LEU 194 N -4.43 2.95 -0.03 2.19 4.77 -1.26 -4.38 117.00 116.81 3d1i n LEU 194 Ca 0.07 -1.30 0.01 0.00 -0.03 0.00 0.00 56.01 54.76 3d1i n LEU 194 Cb 0.45 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3d1i n LEU 194 CO 0.36 0.65 0.42 0.47 -1.33 0.00 0.00 177.39 177.96 3d1i n ASP 195 N 1.15 1.32 -3.73 -1.43 8.00 0.42 -4.92 116.55 117.37 3d1i n ASP 195 Ca 0.19 -1.81 -0.21 0.00 0.71 0.00 0.00 54.79 53.67 3d1i n ASP 195 Cb 0.52 -0.05 -0.18 0.00 -0.02 0.00 0.00 41.12 41.39 3d1i n ASP 195 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3d1i s TRP 196 N -0.83 0.32 0.55 1.24 -0.11 -1.02 -1.35 118.94 117.74 3d1i s TRP 196 Ca 0.03 0.07 -0.16 0.00 1.22 0.00 0.00 56.10 57.26 3d1i s TRP 196 Cb 0.03 -0.59 -0.06 0.00 -1.50 0.00 0.00 33.47 31.35 3d1i s TRP 196 CO 0.00 -0.23 1.02 0.00 -4.62 0.00 0.00 176.95 173.12 3d1i s ALA 197 N 1.95 2.92 0.10 5.86 0.00 -1.26 -4.75 121.76 126.58 3d1i s ALA 197 Ca 0.03 0.29 -0.36 0.00 0.00 0.00 0.00 51.96 51.92 3d1i s ALA 197 Cb -0.12 -3.17 -0.17 0.00 0.00 0.00 0.00 23.12 19.66 3d1i s ALA 197 CO -0.04 -0.49 1.32 0.98 0.00 0.00 0.00 175.76 177.53 3d1i n TYR 198 N -1.76 1.49 -0.53 0.00 9.36 0.08 0.10 117.16 125.89 3d1i n TYR 198 Ca 0.08 0.64 0.00 0.00 3.32 0.00 0.00 57.90 61.94 3d1i n TYR 198 Cb 0.53 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 36.92 3d1i n TYR 198 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3d1i n MET 199 N 2.44 0.00 -1.16 2.98 2.81 -1.26 -3.03 117.12 119.90 3d1i n MET 199 Ca 0.18 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.02 3d1i n MET 199 Cb 0.20 -3.75 -0.02 0.00 -0.71 0.00 0.00 33.22 28.94 3d1i n MET 199 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d1i n GLY 200 N -2.00 0.78 3.61 3.03 0.00 0.11 -4.81 105.19 105.92 3d1i n GLY 200 Ca 0.00 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 3d1i n GLY 200 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d1i n ASP 201 N 1.16 0.47 -4.73 1.61 8.00 -1.17 -1.20 116.55 120.70 3d1i n ASP 201 Ca -0.05 0.67 -0.40 0.00 0.71 0.00 0.00 54.79 55.71 3d1i n ASP 201 Cb 0.17 -1.41 0.01 0.00 -0.02 0.00 0.00 41.12 39.88 3d1i n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3d1i n GLU 202 N -1.85 2.08 -3.62 -1.24 -0.58 -1.26 -4.58 120.64 109.59 3d1i n GLU 202 Ca 0.13 0.74 -0.14 0.00 -0.42 0.00 0.00 57.16 57.47 3d1i n GLU 202 Cb 0.49 -2.50 -0.07 0.00 -0.57 0.00 0.00 31.44 28.80 3d1i n GLU 202 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3d1i s HIS 203 N -1.20 -0.72 0.40 -0.32 2.46 -1.26 -5.04 115.29 109.61 3d1i s HIS 203 Ca 0.61 1.70 0.06 0.00 0.47 0.00 0.00 55.06 57.91 3d1i s HIS 203 Cb -0.48 0.30 0.81 0.00 -0.13 0.00 0.00 32.58 33.08 3d1i s HIS 203 CO 0.58 -0.38 2.05 1.05 -2.47 0.00 0.00 174.74 175.57 3d1i h GLU 204 N 4.62 0.60 -0.01 2.88 9.09 -1.99 -1.68 114.58 128.08 3d1i h GLU 204 Ca -0.28 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.09 3d1i h GLU 204 Cb 1.16 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3d1i h GLU 204 CO 0.10 0.40 -0.07 0.00 0.05 0.00 0.00 179.01 179.49 3d1i n ALA 205 N -2.47 2.71 -2.61 1.06 0.00 -1.26 -4.86 120.51 113.09 3d1i n ALA 205 Ca 0.04 -0.40 -0.38 0.00 0.00 0.00 0.00 53.44 52.70 3d1i n ALA 205 Cb 0.06 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.21 3d1i n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d1i s ALA 206 N -2.15 3.55 0.31 0.00 0.00 -0.63 -4.83 121.76 118.00 3d1i s ALA 206 Ca 0.35 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.36 3d1i s ALA 206 Cb 0.21 -2.48 0.52 0.00 0.00 0.00 0.00 23.12 21.36 3d1i s ALA 206 CO 0.39 -0.48 1.78 -0.22 0.00 0.00 0.00 175.76 177.22 3d1i h LYS 207 N 8.14 0.38 -6.26 0.00 3.64 -1.72 -3.45 116.57 117.30 3d1i h LYS 207 Ca -0.35 -0.13 -0.60 0.00 -1.27 0.00 0.00 60.65 58.30 3d1i h LYS 207 Cb 1.18 -0.03 -0.25 0.00 -0.41 0.00 0.00 32.23 32.72 3d1i h LYS 207 CO 0.59 0.59 -0.85 -1.58 -2.27 0.00 0.00 179.45 175.94 3d1i s TRP 208 N -4.53 1.92 0.36 1.91 0.23 -0.46 -5.02 118.94 113.36 3d1i s TRP 208 Ca -0.06 -0.39 -0.05 0.00 -2.03 0.00 0.00 56.10 53.57 3d1i s TRP 208 Cb 0.14 -1.12 0.02 0.00 0.03 0.00 0.00 33.47 32.55 3d1i s TRP 208 CO 0.77 0.14 0.56 -1.13 0.96 0.00 0.00 176.95 178.25 3d1i n SER 209 N 1.61 -1.58 0.05 2.95 3.41 -1.26 -4.23 113.62 114.57 3d1i n SER 209 Ca -0.18 -2.79 0.19 0.00 -0.26 0.00 0.00 58.87 55.83 3d1i n SER 209 Cb 0.53 2.83 0.71 0.00 -0.26 0.00 0.00 64.21 68.03 3d1i n SER 209 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3d1i h ARG 210 N 0.00 0.00 -0.35 4.33 3.08 -1.47 -1.99 114.38 117.98 3d1i h ARG 210 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3d1i h ARG 210 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3d1i h ARG 210 CO 0.38 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.53 3d1i n THR 211 N -4.23 0.45 -0.87 2.04 -2.24 -1.26 -4.48 114.28 103.68 3d1i n THR 211 Ca 0.08 -0.65 -0.30 0.00 -2.27 0.00 0.00 64.05 60.91 3d1i n THR 211 Cb 0.55 0.78 0.16 0.00 -2.10 0.00 0.00 70.33 69.71 3d1i n THR 211 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3d1i s SER 212 N -1.46 3.08 -0.37 3.42 0.01 -0.75 -4.93 113.70 112.70 3d1i s SER 212 Ca 0.37 1.92 -0.29 0.00 1.31 0.00 0.00 55.95 59.26 3d1i s SER 212 Cb 0.21 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.98 3d1i s SER 212 CO 0.30 -2.95 1.38 -1.61 0.41 0.00 0.00 173.24 170.76 3d1i s GLU 213 N -4.72 3.70 0.38 12.44 0.41 -1.26 -4.73 118.70 124.91 3d1i s GLU 213 Ca 0.65 1.06 0.06 0.00 -0.41 0.00 0.00 54.97 56.33 3d1i s GLU 213 Cb -0.21 -3.98 0.76 0.00 -1.78 0.00 0.00 34.13 28.92 3d1i s GLU 213 CO 0.58 -1.41 1.98 -0.24 -0.49 0.00 0.00 175.26 175.69 3d1i h VAL 214 N 6.28 1.14 -0.81 2.63 3.04 -1.91 -1.49 116.25 125.14 3d1i h VAL 214 Ca -0.27 -0.45 -0.04 0.00 -1.01 0.00 0.00 66.70 64.93 3d1i h VAL 214 Cb 1.10 0.71 -0.04 0.00 -2.01 0.00 0.00 31.29 31.05 3d1i h VAL 214 CO 1.07 0.17 0.34 0.58 -1.01 0.00 0.00 177.57 178.72 3d1i h VAL 215 N 0.52 1.26 -0.39 1.51 2.07 -1.91 0.10 116.25 119.42 3d1i h VAL 215 Ca 0.13 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 3d1i h VAL 215 Cb 0.11 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3d1i h VAL 215 CO -0.01 0.34 0.08 -0.33 0.02 0.00 0.00 177.57 177.66 3d1i h GLU 216 N 1.18 0.63 0.03 1.57 4.39 -1.52 -2.59 114.58 118.28 3d1i h GLU 216 Ca 0.27 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3d1i h GLU 216 Cb 0.20 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3d1i h GLU 216 CO -0.02 0.68 -0.05 0.35 -1.16 0.00 0.00 179.01 178.81 3d1i h PHE 217 N 0.49 -0.12 -0.71 4.33 3.57 -1.08 -2.87 116.94 120.54 3d1i h PHE 217 Ca 0.12 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.78 3d1i h PHE 217 Cb 0.34 0.05 -0.12 0.00 2.79 0.00 0.00 35.95 39.01 3d1i h PHE 217 CO 0.02 -0.07 0.05 0.00 -2.23 0.00 0.00 178.31 176.08 3d1i h ALA 218 N 0.87 0.78 0.00 2.41 0.00 -0.68 -0.66 119.26 121.97 3d1i h ALA 218 Ca 0.01 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3d1i h ALA 218 Cb 0.10 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3d1i h ALA 218 CO -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3d1i h ARG 219 N 0.15 0.00 -0.02 0.00 3.08 -1.23 -1.41 114.38 114.94 3d1i h ARG 219 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3d1i h ARG 219 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3d1i h ARG 219 CO -0.59 0.00 -0.07 -0.25 -1.07 0.00 0.00 179.97 178.00 3d1i n ASP 220 N -2.81 2.19 -4.57 7.04 9.92 -0.26 -4.93 116.55 123.13 3d1i n ASP 220 Ca -0.02 -1.68 -0.31 0.00 -0.53 0.00 0.00 54.79 52.26 3d1i n ASP 220 Cb 0.10 0.06 -0.10 0.00 -0.64 0.00 0.00 41.12 40.53 3d1i n ASP 220 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3d1i s LEU 221 N -2.09 3.02 0.00 0.64 1.43 -0.53 -4.95 118.68 116.20 3d1i s LEU 221 Ca 0.30 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3d1i s LEU 221 Cb 0.20 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3d1i s LEU 221 CO 0.36 0.22 0.00 0.59 0.23 0.00 0.00 176.35 177.75 3d1i n ASN 222 N 1.08 0.54 -4.64 2.29 4.13 -1.26 -4.70 115.26 112.70 3d1i n ASN 222 Ca -0.14 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.78 3d1i n ASN 222 Cb 0.52 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.67 3d1i n ASN 222 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3d1i s HIS 223 N -1.53 3.03 0.40 3.10 3.76 -1.26 -0.67 115.29 122.12 3d1i s HIS 223 Ca 0.00 0.07 -0.09 0.00 -0.15 0.00 0.00 55.06 54.89 3d1i s HIS 223 Cb 0.00 -1.70 -0.06 0.00 1.11 0.00 0.00 32.58 31.93 3d1i s HIS 223 CO 0.00 0.42 0.75 -1.25 -0.85 0.00 0.00 174.74 173.81 3d1i s PRO 224 N -1.19 3.73 -0.61 8.40 0.04 -1.26 -4.41 135.00 139.70 3d1i s PRO 224 Ca 0.16 0.38 -0.14 0.00 0.04 0.00 0.00 61.00 61.44 3d1i s PRO 224 Cb -0.11 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 32.03 3d1i s PRO 224 CO 0.06 -0.04 0.36 -0.11 0.04 0.00 0.00 177.00 177.31 3d1i n LEU 225 N -1.41 -0.33 -4.61 -3.56 7.94 -1.01 -4.76 117.00 109.26 3d1i n LEU 225 Ca 0.02 -0.68 -0.41 0.00 -1.11 0.00 0.00 56.01 53.83 3d1i n LEU 225 Cb 0.54 -0.88 0.01 0.00 0.53 0.00 0.00 43.42 43.62 3d1i n LEU 225 CO 0.48 0.40 0.58 0.59 -1.11 0.00 0.00 177.39 178.33 3d1i n ASN 226 N -0.91 1.22 0.04 1.96 4.13 -1.26 -4.83 115.26 115.61 3d1i n ASN 226 Ca -0.10 1.03 0.07 0.00 1.68 0.00 0.00 54.58 57.27 3d1i n ASN 226 Cb 0.33 -1.35 0.50 0.00 -1.54 0.00 0.00 39.78 37.73 3d1i n ASN 226 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3d1i n PHE 228 N -4.48 0.00 0.26 0.00 1.16 -1.26 -3.08 117.46 110.05 3d1i n PHE 228 Ca 0.04 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.75 3d1i n PHE 228 Cb 0.17 0.00 0.71 0.00 -1.61 0.00 0.00 39.48 38.74 3d1i n PHE 228 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 3d1i h MET 229 N 0.00 0.00 -0.00 3.97 2.86 -1.22 -3.24 114.93 117.30 3d1i h MET 229 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3d1i h MET 229 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3d1i h MET 229 CO 0.00 0.12 -0.17 0.00 1.06 0.00 0.00 176.91 177.92 3d1i s HIS 231 N -1.26 0.44 0.15 0.00 3.76 -1.22 -1.26 115.29 115.90 3d1i s HIS 231 Ca 0.02 -0.01 -0.31 0.00 -0.15 0.00 0.00 55.06 54.61 3d1i s HIS 231 Cb 0.03 -0.66 -0.09 0.00 1.11 0.00 0.00 32.58 32.97 3d1i s HIS 231 CO 0.16 -0.26 1.47 0.34 -0.85 0.00 0.00 174.74 175.60 3d1i s ASP 232 N 1.94 6.70 0.46 1.40 2.15 -0.05 -4.31 116.67 124.98 3d1i s ASP 232 Ca 0.04 2.49 0.25 0.00 0.43 0.00 0.00 52.55 55.75 3d1i s ASP 232 Cb -0.12 -2.59 1.08 0.00 -0.30 0.00 0.00 42.92 40.98 3d1i s ASP 232 CO -0.04 -0.73 1.90 1.55 -0.17 0.00 0.00 175.17 177.68 3d1i h PRO 233 N 6.62 0.00 0.04 4.34 0.13 -1.90 0.15 132.00 141.37 3d1i h PRO 233 Ca -0.43 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.49 3d1i h PRO 233 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3d1i h PRO 233 CO 0.88 0.21 -1.14 0.45 -0.23 0.00 0.00 178.00 178.16 3d1i h HIS 234 N 0.00 0.15 0.00 1.56 3.86 -1.94 -3.39 115.15 115.39 3d1i h HIS 234 Ca -0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3d1i h HIS 234 Cb 0.62 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.09 3d1i h HIS 234 CO 0.00 1.45 -1.07 -1.13 0.86 0.00 0.00 177.93 178.03 3d1i n SER 235 N -4.26 0.70 0.00 2.45 3.41 -1.24 -3.98 113.62 110.69 3d1i n SER 235 Ca -0.27 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3d1i n SER 235 Cb 0.73 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 3d1i n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d1i n ALA 236 N -2.09 0.00 -2.02 7.33 0.00 0.53 -2.55 120.51 121.70 3d1i n ALA 236 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3d1i n ALA 236 Cb 0.52 -0.75 0.04 0.00 0.00 0.00 0.00 19.45 19.26 3d1i n ALA 236 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3d1i s GLY 237 N -2.00 1.64 0.33 0.00 0.00 -1.25 -4.52 107.32 101.51 3d1i s GLY 237 Ca 0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 44.72 43.66 3d1i s GLY 237 CO 0.00 -0.46 1.09 2.56 0.00 0.00 0.00 173.10 176.29 3d1i s PRO 238 N -5.08 4.43 0.29 2.90 0.04 -1.26 -0.87 135.00 135.46 3d1i s PRO 238 Ca 0.56 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 63.15 3d1i s PRO 238 Cb -0.11 -2.94 0.02 0.00 0.04 0.00 0.00 34.50 31.52 3d1i s PRO 238 CO 0.45 0.05 0.64 -0.98 0.04 0.00 0.00 177.00 177.20 3d1i s ARG 239 N -1.86 1.80 0.21 4.56 1.70 -0.39 -1.40 118.95 123.57 3d1i s ARG 239 Ca 0.50 -1.19 0.11 0.00 -0.47 0.00 0.00 55.73 54.68 3d1i s ARG 239 Cb -0.29 0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 3d1i s ARG 239 CO 0.36 -0.80 -0.22 0.14 -1.08 0.00 0.00 175.30 173.70 3d1i s VAL 240 N -3.63 2.34 0.00 4.99 -7.23 0.18 -4.13 120.40 112.93 3d1i s VAL 240 Ca 0.16 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3d1i s VAL 240 Cb -0.04 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.75 3d1i s VAL 240 CO 0.09 -0.21 0.00 1.33 -0.31 0.00 0.00 175.10 176.00 3d1i n VAL 241 N 0.03 0.00 -2.29 1.32 0.24 -1.24 -0.73 118.33 115.66 3d1i n VAL 241 Ca -0.11 -0.39 -0.43 0.00 -2.04 0.00 0.00 64.34 61.38 3d1i n VAL 241 Cb 0.57 0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 33.83 3d1i n VAL 241 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3d1i s ARG 242 N -1.11 4.05 0.21 7.34 6.06 -1.26 -4.81 118.95 129.44 3d1i s ARG 242 Ca 0.00 1.64 -0.09 0.00 -2.50 0.00 0.00 55.73 54.78 3d1i s ARG 242 Cb 0.00 -3.88 0.30 0.00 0.06 0.00 0.00 34.95 31.43 3d1i s ARG 242 CO 0.00 -0.95 1.74 0.38 -2.50 0.00 0.00 175.30 173.97 3d1i h ASP 243 N 9.21 0.25 -0.72 -2.12 3.04 -1.95 -2.29 116.42 121.83 3d1i h ASP 243 Ca -0.30 0.08 0.06 0.00 -3.24 0.00 0.00 57.03 53.63 3d1i h ASP 243 Cb 1.12 0.06 -0.04 0.00 -1.04 0.00 0.00 39.33 39.43 3d1i h ASP 243 CO 0.99 0.14 0.48 1.23 -2.04 0.00 0.00 179.24 180.04 3d1i h GLY 244 N 0.43 0.97 0.61 7.15 0.00 -1.91 0.64 103.07 110.96 3d1i h GLY 244 Ca 0.32 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3d1i h GLY 244 CO -0.32 0.24 -0.26 -2.00 0.00 0.00 0.00 176.54 174.21 3d1i h LEU 245 N 0.78 0.32 -1.10 3.11 5.85 -1.77 -2.25 115.31 120.24 3d1i h LEU 245 Ca 0.31 -0.65 0.04 0.00 0.84 0.00 0.00 57.88 58.42 3d1i h LEU 245 Cb 0.22 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3d1i h LEU 245 CO -0.10 0.92 0.61 0.40 -0.34 0.00 0.00 178.44 179.93 3d1i h ILE 246 N -0.26 1.14 -0.27 4.05 2.04 -1.04 -0.63 117.51 122.54 3d1i h ILE 246 Ca -0.02 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3d1i h ILE 246 Cb 0.91 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3d1i h ILE 246 CO 0.05 0.21 0.13 -1.13 0.00 0.00 0.00 178.15 177.41 3d1i h ASN 247 N 1.14 0.35 0.02 1.72 -0.73 -0.83 0.81 115.58 118.06 3d1i h ASN 247 Ca 0.38 -0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.43 3d1i h ASN 247 Cb 0.06 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.56 3d1i h ASN 247 CO -0.12 0.36 -0.01 0.00 -0.37 0.00 0.00 177.43 177.29 3d1i h ALA 248 N 1.00 -0.03 -0.05 1.57 0.00 -0.98 -0.14 119.26 120.63 3d1i h ALA 248 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3d1i h ALA 248 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3d1i h ALA 248 CO -0.01 -0.40 -0.09 0.28 0.00 0.00 0.00 179.25 179.02 3d1i h VAL 249 N -0.26 1.42 0.00 0.00 2.07 -1.04 -2.70 116.25 115.75 3d1i h VAL 249 Ca -0.00 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3d1i h VAL 249 Cb 0.24 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3d1i h VAL 249 CO 0.01 0.38 -0.83 0.52 0.02 0.00 0.00 177.57 177.67 3d1i n VAL 250 N -4.68 1.31 -0.19 2.57 0.31 0.26 -1.43 118.33 116.48 3d1i n VAL 250 Ca -0.08 0.19 -0.04 0.00 -0.01 0.00 0.00 64.34 64.40 3d1i n VAL 250 Cb 0.34 -2.25 0.06 0.00 -0.91 0.00 0.00 33.84 31.08 3d1i n VAL 250 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3d1i h ASP 251 N -0.88 0.51 -0.07 4.52 3.32 -1.21 -1.07 116.42 121.53 3d1i h ASP 251 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3d1i h ASP 251 Cb 0.83 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3d1i h ASP 251 CO 0.00 0.35 0.00 0.54 -1.72 0.00 0.00 179.24 178.41 3d1i n ARG 252 N -4.80 1.69 -1.24 3.56 1.74 -0.11 -4.95 116.66 112.55 3d1i n ARG 252 Ca 0.05 -1.02 -0.08 0.00 -0.77 0.00 0.00 57.85 56.03 3d1i n ARG 252 Cb 0.11 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 3d1i n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d1i n GLY 253 N 1.16 0.98 0.21 -0.13 0.00 -0.41 -4.89 105.19 102.12 3d1i n GLY 253 Ca 0.18 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.96 3d1i n GLY 253 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3d1i h LEU 254 N 0.00 0.00 0.00 0.99 3.38 -1.29 -3.48 115.31 114.91 3d1i h LEU 254 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3d1i h LEU 254 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3d1i h LEU 254 CO 0.25 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.61 3d1i n GLY 255 N 0.60 -1.83 0.16 0.83 0.00 -0.51 -3.90 105.19 100.53 3d1i n GLY 255 Ca 0.01 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.52 3d1i n GLY 255 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3d1i h THR 256 N 0.00 1.24 -2.95 2.61 1.35 -1.83 -3.36 112.91 109.97 3d1i h THR 256 Ca 0.00 -1.87 -0.61 0.00 -0.55 0.00 0.00 66.41 63.38 3d1i h THR 256 Cb 0.00 2.05 -0.40 0.00 -1.73 0.00 0.00 68.15 68.07 3d1i h THR 256 CO 0.00 0.51 -0.74 -0.31 -0.25 0.00 0.00 175.52 174.74 3d1i s TYR 257 N -3.64 2.17 0.57 4.73 1.51 -1.26 -4.99 117.35 116.45 3d1i s TYR 257 Ca -0.01 -2.59 0.28 0.00 -1.01 0.00 0.00 57.07 53.74 3d1i s TYR 257 Cb 0.12 -1.94 1.53 0.00 -0.11 0.00 0.00 41.96 41.55 3d1i s TYR 257 CO 0.73 -0.75 2.00 -1.35 -1.11 0.00 0.00 175.55 175.07 3d1i h PRO 258 N 6.39 0.00 -0.22 -1.71 0.11 -1.71 -0.40 132.00 134.47 3d1i h PRO 258 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3d1i h PRO 258 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3d1i h PRO 258 CO 0.51 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.91 3d1i n HIS 259 N -3.91 0.28 -3.35 0.65 1.44 -1.26 -4.65 115.22 104.42 3d1i n HIS 259 Ca 0.06 -0.14 -0.15 0.00 -2.01 0.00 0.00 57.72 55.48 3d1i n HIS 259 Cb 0.52 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.56 3d1i n HIS 259 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3d1i s ASP 260 N -1.54 0.91 0.51 4.39 -1.08 -0.16 -5.01 116.67 114.68 3d1i s ASP 260 Ca 0.33 -1.40 0.16 0.00 -0.52 0.00 0.00 52.55 51.12 3d1i s ASP 260 Cb 0.19 0.71 1.24 0.00 -1.46 0.00 0.00 42.92 43.60 3d1i s ASP 260 CO 0.27 -0.26 2.13 -0.65 0.52 0.00 0.00 175.17 177.18 3d1i h PRO 261 N 7.18 0.01 -0.05 4.34 0.11 -1.83 -1.12 132.00 140.65 3d1i h PRO 261 Ca 0.03 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 3d1i h PRO 261 Cb 1.07 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3d1i h PRO 261 CO 0.20 0.02 -0.06 0.28 -0.21 0.00 0.00 178.00 178.23 3d1i h VAL 262 N 0.01 1.40 -0.40 3.15 2.07 -1.95 -2.27 116.25 118.26 3d1i h VAL 262 Ca 0.00 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 3d1i h VAL 262 Cb 0.03 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3d1i h VAL 262 CO 0.00 0.35 -0.02 0.50 0.02 0.00 0.00 177.57 178.42 3d1i h LYS 263 N -0.35 0.65 -0.62 1.57 3.64 -1.88 -0.90 116.57 118.68 3d1i h LYS 263 Ca 0.01 -0.16 0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3d1i h LYS 263 Cb 0.60 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 3d1i h LYS 263 CO 0.01 0.68 0.41 0.77 -2.27 0.00 0.00 179.45 179.06 3d1i h SER 264 N 0.61 0.59 0.39 4.20 0.02 -1.16 0.22 113.55 118.41 3d1i h SER 264 Ca 0.12 -0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.75 3d1i h SER 264 Cb 0.42 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 62.85 3d1i h SER 264 CO 0.02 0.40 -1.44 -0.08 -1.14 0.00 0.00 176.83 174.58 3d1i h GLU 265 N 0.68 0.43 -0.02 3.45 4.22 -0.73 -2.93 114.58 119.67 3d1i h GLU 265 Ca 0.26 -0.73 -0.16 0.00 0.08 0.00 0.00 59.36 58.81 3d1i h GLU 265 Cb 0.17 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3d1i h GLU 265 CO -0.07 1.34 -0.70 1.96 -2.18 0.00 0.00 179.01 179.36 3d1i h GLN 266 N 0.12 0.12 -2.21 1.92 4.20 -0.91 -3.34 115.11 115.00 3d1i h GLN 266 Ca -0.23 -0.10 -0.57 0.00 0.06 0.00 0.00 58.65 57.81 3d1i h GLN 266 Cb 2.10 0.02 -0.42 0.00 0.30 0.00 0.00 27.48 29.48 3d1i h GLN 266 CO 0.24 0.77 -0.74 1.04 -0.67 0.00 0.00 178.83 179.46 3d1i n GLN 267 N -3.76 2.65 -1.56 1.46 6.02 0.75 -4.73 117.38 118.22 3d1i n GLN 267 Ca -0.02 -4.52 -0.07 0.00 -0.01 0.00 0.00 57.00 52.37 3d1i n GLN 267 Cb 0.68 -2.11 0.03 0.00 1.02 0.00 0.00 30.24 29.86 3d1i n GLN 267 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d1i n GLY 268 N 0.08 1.54 2.99 1.08 0.00 -1.11 -4.72 105.19 105.06 3d1i n GLY 268 Ca 0.29 -2.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 3d1i n GLY 268 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3d1i s MET 269 N -3.05 0.66 -0.21 1.61 1.75 -1.26 -0.99 119.30 117.81 3d1i s MET 269 Ca 0.22 -0.26 -0.03 0.00 -1.25 0.00 0.00 55.69 54.37 3d1i s MET 269 Cb -0.02 -0.64 0.00 0.00 2.84 0.00 0.00 34.83 37.02 3d1i s MET 269 CO 0.14 0.14 -0.08 0.99 -0.65 0.00 0.00 175.02 175.56 3d1i s THR 270 N -0.07 3.02 -0.05 10.11 2.01 0.83 -4.91 115.64 126.59 3d1i s THR 270 Ca 0.01 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 3d1i s THR 270 Cb -0.04 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 3d1i s THR 270 CO -0.00 0.43 1.12 -0.75 -0.69 0.00 0.00 174.62 174.73 3d1i s LYS 271 N 1.42 4.41 -0.14 4.92 2.20 -1.26 -0.73 119.74 130.56 3d1i s LYS 271 Ca 0.05 1.58 0.01 0.00 -0.36 0.00 0.00 55.97 57.24 3d1i s LYS 271 Cb -0.14 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 3d1i s LYS 271 CO -0.06 -0.34 -0.16 0.08 -0.36 0.00 0.00 175.35 174.52 3d1i s VAL 272 N 1.87 2.71 0.04 4.02 1.01 0.15 -4.97 120.40 125.23 3d1i s VAL 272 Ca 0.54 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3d1i s VAL 272 Cb -0.23 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3d1i s VAL 272 CO 0.22 0.52 -0.02 0.42 0.00 0.00 0.00 175.10 176.25 3d1i s THR 273 N 0.60 3.95 -0.04 3.92 -4.23 -1.26 -0.98 115.64 117.60 3d1i s THR 273 Ca -0.09 -0.83 0.07 0.00 -1.18 0.00 0.00 61.69 59.65 3d1i s THR 273 Cb -0.16 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 3d1i s THR 273 CO 0.03 0.26 -0.25 -0.36 -0.54 0.00 0.00 174.62 173.76 3d1i s PHE 274 N -1.17 2.38 0.19 3.99 0.40 -0.18 -4.99 117.98 118.60 3d1i s PHE 274 Ca 0.22 -0.61 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 3d1i s PHE 274 Cb -0.11 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.83 3d1i s PHE 274 CO 0.13 -0.15 0.30 -0.65 0.70 0.00 0.00 175.22 175.56 3d1i s GLN 275 N -0.33 3.39 -0.14 0.44 1.11 -1.26 -0.90 119.66 121.96 3d1i s GLN 275 Ca 0.02 -0.69 0.00 0.00 0.01 0.00 0.00 55.36 54.70 3d1i s GLN 275 Cb -0.12 -2.90 0.02 0.00 -1.01 0.00 0.00 33.01 29.00 3d1i s GLN 275 CO 0.02 0.48 -0.14 1.03 0.01 0.00 0.00 175.29 176.68 3d1i s ARG 276 N -3.54 2.30 6.10 2.91 1.81 0.36 -4.84 118.95 124.05 3d1i s ARG 276 Ca 0.34 -0.56 0.00 0.00 -1.72 0.00 0.00 55.73 53.79 3d1i s ARG 276 Cb -0.10 -2.09 0.00 0.00 -0.45 0.00 0.00 34.95 32.31 3d1i s ARG 276 CO 0.28 -0.22 0.00 0.41 -0.68 0.00 0.00 175.30 175.10 3d1i n GLY 277 N 4.71 3.55 1.13 -3.53 0.00 -1.26 -1.71 105.19 108.08 3d1i n GLY 277 Ca -0.17 0.03 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3d1i n GLY 277 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3d1i n ARG 278 N 14.00 2.48 -4.47 1.61 0.00 -1.26 -4.93 116.66 124.08 3d1i n ARG 278 Ca 0.00 -2.23 -0.34 0.00 -0.00 0.00 0.00 57.85 55.27 3d1i n ARG 278 Cb 0.00 -1.51 -0.11 0.00 -0.00 0.00 0.00 32.46 30.84 3d1i n ARG 278 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3d1i s GLU 279 N -1.53 3.05 0.40 2.89 0.41 -0.69 -5.06 118.70 118.16 3d1i s GLU 279 Ca 0.38 -0.48 -0.26 0.00 -0.41 0.00 0.00 54.97 54.20 3d1i s GLU 279 Cb 0.23 -2.74 -0.10 0.00 -1.78 0.00 0.00 34.13 29.73 3d1i s GLU 279 CO 0.32 0.59 1.23 -0.25 -0.49 0.00 0.00 175.26 176.65 3d1i n ASP 280 N 2.48 2.36 0.09 -0.19 8.00 -1.26 -0.49 116.55 127.55 3d1i n ASP 280 Ca -0.18 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.44 3d1i n ASP 280 Cb 0.53 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 3d1i n ASP 280 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3d1i n PHE 281 N -0.14 -1.24 -4.31 1.24 7.35 -0.08 -4.75 117.46 115.54 3d1i n PHE 281 Ca 0.07 0.22 -0.16 0.00 -0.76 0.00 0.00 57.45 56.82 3d1i n PHE 281 Cb 0.39 0.29 -0.10 0.00 0.35 0.00 0.00 39.48 40.41 3d1i n PHE 281 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3d1i s ARG 282 N -2.00 1.31 0.05 -4.13 1.70 -0.97 -0.74 118.95 114.17 3d1i s ARG 282 Ca 0.00 -1.67 -0.11 0.00 -0.47 0.00 0.00 55.73 53.48 3d1i s ARG 282 Cb 0.00 -0.42 0.01 0.00 -0.57 0.00 0.00 34.95 33.97 3d1i s ARG 282 CO 0.00 -0.17 0.24 0.00 -1.08 0.00 0.00 175.30 174.29 3d1i s ALA 283 N -3.58 -0.48 0.28 7.88 0.00 -1.26 -1.01 121.76 123.59 3d1i s ALA 283 Ca 0.30 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.06 3d1i s ALA 283 Cb 0.07 0.36 -0.06 0.00 0.00 0.00 0.00 23.12 23.48 3d1i s ALA 283 CO 0.09 -0.42 0.06 0.96 0.00 0.00 0.00 175.76 176.44 3d1i s ILE 284 N -2.88 0.95 -0.28 0.00 -4.36 -0.15 -4.84 121.20 109.64 3d1i s ILE 284 Ca -0.03 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.36 3d1i s ILE 284 Cb 0.00 -2.65 0.08 0.00 1.25 0.00 0.00 42.46 41.15 3d1i s ILE 284 CO -0.06 -0.07 0.03 -0.83 0.24 0.00 0.00 174.94 174.25 3d1i s GLY 285 N -3.39 1.32 0.05 6.27 0.00 0.09 -0.68 107.32 110.99 3d1i s GLY 285 Ca 0.35 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 3d1i s GLY 285 CO 0.13 1.20 1.07 1.08 0.00 0.00 0.00 173.10 176.59 3d1i s LEU 286 N 1.39 4.39 0.11 0.66 1.43 0.09 -0.65 118.68 126.11 3d1i s LEU 286 Ca 0.04 1.86 -0.14 0.00 -1.03 0.00 0.00 54.13 54.85 3d1i s LEU 286 Cb -0.18 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.39 3d1i s LEU 286 CO -0.13 -0.32 0.51 -0.76 0.23 0.00 0.00 176.35 175.88 3d1i s LEU 287 N 0.79 4.38 0.38 1.79 1.43 -0.49 -0.12 118.68 126.84 3d1i s LEU 287 Ca 0.54 1.03 0.10 0.00 -1.03 0.00 0.00 54.13 54.76 3d1i s LEU 287 Cb -0.25 -3.10 0.77 0.00 0.03 0.00 0.00 46.19 43.64 3d1i s LEU 287 CO 0.29 0.16 1.91 0.44 0.23 0.00 0.00 176.35 179.38 3d1i h ASP 288 N 3.81 0.22 -5.37 2.29 3.32 -1.38 -3.43 116.42 115.88 3d1i h ASP 288 Ca -0.49 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 56.32 3d1i h ASP 288 Cb 1.20 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 3d1i h ASP 288 CO 0.65 0.39 -0.65 0.42 -1.72 0.00 0.00 179.24 178.33 3d1i s THR 289 N -4.69 0.14 -1.39 0.35 -4.23 -1.26 -4.99 115.64 99.55 3d1i s THR 289 Ca -0.05 -1.92 -0.15 0.00 -1.18 0.00 0.00 61.69 58.39 3d1i s THR 289 Cb 0.15 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.94 3d1i s THR 289 CO 0.73 -0.44 2.18 0.00 -0.54 0.00 0.00 174.62 176.55 3d1i n ALA 290 N -0.11 5.26 -3.04 3.99 0.00 -1.26 -4.86 120.51 120.48 3d1i n ALA 290 Ca -0.05 -3.83 -0.44 0.00 0.00 0.00 0.00 53.44 49.12 3d1i n ALA 290 Cb 0.64 -3.55 -0.04 0.00 0.00 0.00 0.00 19.45 16.50 3d1i n ALA 290 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3d1i s ASP 291 N 3.41 6.24 0.56 0.00 -1.08 -1.26 -4.90 116.67 119.65 3d1i s ASP 291 Ca 0.48 -1.44 0.28 0.00 -0.52 0.00 0.00 52.55 51.35 3d1i s ASP 291 Cb 0.14 -2.33 1.64 0.00 -1.46 0.00 0.00 42.92 40.90 3d1i s ASP 291 CO -0.06 -1.17 2.18 0.77 0.52 0.00 0.00 175.17 177.41 3d1i h SER 292 N 9.19 0.00 -0.88 -0.34 4.64 -1.97 -1.28 113.55 122.91 3d1i h SER 292 Ca -0.24 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.15 3d1i h SER 292 Cb 1.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 3d1i h SER 292 CO 1.11 0.05 0.55 0.78 -0.87 0.00 0.00 176.83 178.44 3d1i h ASN 293 N 0.00 0.86 0.50 4.97 2.35 -1.92 -0.12 115.58 122.21 3d1i h ASN 293 Ca -0.00 0.02 -0.30 0.00 -0.55 0.00 0.00 56.30 55.47 3d1i h ASN 293 Cb 0.12 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3d1i h ASN 293 CO 0.01 0.54 -1.52 0.58 -1.65 0.00 0.00 177.43 175.39 3d1i h VAL 294 N 0.99 1.15 -0.44 2.81 2.07 -1.68 -2.70 116.25 118.44 3d1i h VAL 294 Ca 0.39 -2.83 0.02 0.00 0.82 0.00 0.00 66.70 65.10 3d1i h VAL 294 Cb 0.20 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 3d1i h VAL 294 CO -0.18 0.79 0.25 0.24 0.02 0.00 0.00 177.57 178.69 3d1i h MET 295 N 0.05 0.49 0.00 1.57 2.86 -0.93 -2.65 114.93 116.32 3d1i h MET 295 Ca -0.23 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.28 3d1i h MET 295 Cb 1.99 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.52 3d1i h MET 295 CO 0.14 0.32 -0.48 0.00 1.06 0.00 0.00 176.91 177.96 3d1i n ALA 297 N -2.41 1.84 0.23 0.00 0.00 -1.00 -1.65 120.51 117.51 3d1i n ALA 297 Ca -0.01 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3d1i n ALA 297 Cb 0.51 -1.21 0.75 0.00 0.00 0.00 0.00 19.45 19.50 3d1i n ALA 297 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3d1i h GLN 298 N 0.00 0.00 0.00 0.00 4.20 -1.46 -3.38 115.11 114.47 3d1i h GLN 298 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d1i h GLN 298 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3d1i h GLN 298 CO 0.00 0.00 -0.35 0.00 -0.67 0.00 0.00 178.83 177.81 3d1i n HIS 300 N -1.31 2.72 -4.11 0.00 8.25 -0.66 -4.84 115.22 115.27 3d1i n HIS 300 Ca 0.00 -2.86 -0.08 0.00 -0.26 0.00 0.00 57.72 54.52 3d1i n HIS 300 Cb 0.18 -2.00 -0.10 0.00 1.12 0.00 0.00 29.99 29.18 3d1i n HIS 300 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3d1i s VAL 301 N 0.03 0.16 0.15 1.59 -7.23 -0.71 -1.57 120.40 112.82 3d1i s VAL 301 Ca 0.52 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 3d1i s VAL 301 Cb 0.16 -1.76 -0.07 0.00 0.56 0.00 0.00 36.38 35.27 3d1i s VAL 301 CO -0.06 -0.73 0.93 -0.70 -0.31 0.00 0.00 175.10 174.23 3d1i s GLU 302 N -3.98 4.72 0.16 4.82 2.56 -1.06 -4.41 118.70 121.51 3d1i s GLU 302 Ca 0.15 1.42 -0.13 0.00 0.00 0.00 0.00 54.97 56.40 3d1i s GLU 302 Cb 0.08 -3.34 0.01 0.00 2.00 0.00 0.00 34.13 32.88 3d1i s GLU 302 CO -0.05 0.33 0.38 1.52 -0.56 0.00 0.00 175.26 176.88 3d1i s TYR 303 N -0.41 0.06 -0.16 5.30 1.13 -1.26 -3.37 117.35 118.64 3d1i s TYR 303 Ca 0.44 -0.41 -0.08 0.00 -1.41 0.00 0.00 57.07 55.61 3d1i s TYR 303 Cb -0.24 0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.74 3d1i s TYR 303 CO 0.30 -0.76 0.12 -0.80 -2.51 0.00 0.00 175.55 171.90 3d1i s ASN 304 N -2.88 6.19 -0.39 -0.18 0.01 0.12 -4.83 114.94 112.99 3d1i s ASN 304 Ca 0.10 0.31 0.11 0.00 -0.71 0.00 0.00 52.86 52.66 3d1i s ASN 304 Cb 0.02 -2.05 0.39 0.00 0.41 0.00 0.00 41.25 40.02 3d1i s ASN 304 CO -0.05 0.28 1.16 0.00 -1.51 0.00 0.00 177.10 176.98 3d1i s ASN 306 N -1.81 -0.04 0.82 0.00 4.22 -0.95 -4.53 114.94 112.66 3d1i s ASN 306 Ca 0.25 -0.00 -0.12 0.00 -2.14 0.00 0.00 52.86 50.85 3d1i s ASN 306 Cb 0.39 0.05 0.09 0.00 1.28 0.00 0.00 41.25 43.06 3d1i s ASN 306 CO -0.05 -0.08 1.15 -2.16 -2.04 0.00 0.00 177.10 173.92 3d1i s PRO 307 N -2.14 1.86 0.00 3.55 0.04 -1.26 -4.47 135.00 132.58 3d1i s PRO 307 Ca 0.11 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.42 3d1i s PRO 307 Cb -0.01 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3d1i s PRO 307 CO -0.03 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 175.72 3d1i n GLY 308 N -2.82 3.42 3.16 0.56 0.00 0.61 -4.91 105.19 105.21 3d1i n GLY 308 Ca 0.07 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3d1i n GLY 308 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d1i s TYR 309 N -0.04 0.28 0.06 1.61 2.02 -0.33 -0.14 117.35 120.80 3d1i s TYR 309 Ca 0.00 -0.73 -0.24 0.00 -0.37 0.00 0.00 57.07 55.73 3d1i s TYR 309 Cb 0.00 -0.18 -0.06 0.00 -0.40 0.00 0.00 41.96 41.32 3d1i s TYR 309 CO 0.00 -0.47 0.73 -0.65 -1.57 0.00 0.00 175.55 173.60 3d1i s GLN 310 N -3.72 4.47 0.30 -0.62 -0.21 0.59 -0.19 119.66 120.28 3d1i s GLN 310 Ca 0.04 1.02 0.01 0.00 0.02 0.00 0.00 55.36 56.45 3d1i s GLN 310 Cb 0.05 -3.34 0.48 0.00 1.00 0.00 0.00 33.01 31.20 3d1i s GLN 310 CO -0.10 0.35 1.86 -0.07 -2.12 0.00 0.00 175.29 175.21 3d1i h LEU 311 N 5.42 0.69 -0.15 2.90 3.38 -1.82 0.33 115.31 126.06 3d1i h LEU 311 Ca -0.45 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 3d1i h LEU 311 Cb 1.21 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3d1i h LEU 311 CO 0.70 0.68 0.02 0.77 0.09 0.00 0.00 178.44 180.70 3d1i h SER 312 N 0.72 0.25 0.00 -0.43 4.64 -1.93 -3.38 113.55 113.43 3d1i h SER 312 Ca 0.16 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3d1i h SER 312 Cb 0.27 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3d1i h SER 312 CO -0.00 0.45 0.00 -0.90 -0.87 0.00 0.00 176.83 175.50 3d1i n ASP 313 N -4.79 0.32 0.00 4.97 5.75 -1.23 -5.02 116.55 116.56 3d1i n ASP 313 Ca -0.05 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 3d1i n ASP 313 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3d1i n ASP 313 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d1i n GLY 314 N -0.06 0.81 3.80 6.12 0.00 0.12 -4.96 105.19 111.03 3d1i n GLY 314 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3d1i n GLY 314 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d1i s SER 315 N -2.81 5.27 0.31 1.61 1.04 -1.26 -4.43 113.70 113.43 3d1i s SER 315 Ca 0.00 1.75 -0.29 0.00 0.48 0.00 0.00 55.95 57.89 3d1i s SER 315 Cb 0.00 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.50 3d1i s SER 315 CO 0.00 -1.52 1.23 -0.60 0.98 0.00 0.00 173.24 173.34 3d1i s ARG 316 N -4.68 4.46 -0.28 4.02 3.52 -1.26 -0.30 118.95 124.42 3d1i s ARG 316 Ca 0.61 2.07 0.02 0.00 -0.13 0.00 0.00 55.73 58.30 3d1i s ARG 316 Cb -0.16 -3.11 0.06 0.00 -1.56 0.00 0.00 34.95 30.18 3d1i s ARG 316 CO 0.49 -0.04 -0.06 0.08 -0.81 0.00 0.00 175.30 174.96 3d1i s VAL 317 N -1.14 2.40 0.74 7.11 1.01 0.79 -4.83 120.40 126.49 3d1i s VAL 317 Ca 0.47 -1.66 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 3d1i s VAL 317 Cb -0.37 -2.45 0.13 0.00 0.00 0.00 0.00 36.38 33.69 3d1i s VAL 317 CO 0.49 -0.12 1.02 -0.83 0.00 0.00 0.00 175.10 175.65 3d1i s GLY 318 N 1.14 1.76 0.54 4.51 0.00 -1.26 -0.28 107.32 113.72 3d1i s GLY 318 Ca -0.06 -1.73 0.29 0.00 0.00 0.00 0.00 44.72 43.23 3d1i s GLY 318 CO -0.04 -1.14 2.10 -0.33 0.00 0.00 0.00 173.10 173.69 3d1i h MET 319 N -0.60 0.00 0.00 2.90 2.86 -1.89 -1.24 114.93 116.95 3d1i h MET 319 Ca -0.36 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 3d1i h MET 319 Cb 1.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 3d1i h MET 319 CO 0.40 0.10 -0.09 0.38 1.06 0.00 0.00 176.91 178.75 3d1i h ASP 320 N 0.00 0.00 -3.70 1.22 2.03 -1.93 -3.43 116.42 110.61 3d1i h ASP 320 Ca -0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.79 3d1i h ASP 320 Cb 0.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 3d1i h ASP 320 CO 0.01 0.09 0.43 -0.62 -1.03 0.00 0.00 179.24 178.12 3d1i s ASP 321 N -5.88 7.39 0.50 4.15 -1.08 -0.47 -4.93 116.67 116.35 3d1i s ASP 321 Ca -0.01 2.09 0.25 0.00 -0.52 0.00 0.00 52.55 54.36 3d1i s ASP 321 Cb 0.11 -2.61 1.33 0.00 -1.46 0.00 0.00 42.92 40.30 3d1i s ASP 321 CO 0.56 -0.08 1.94 -0.09 0.52 0.00 0.00 175.17 178.02 3d1i h ARG 322 N 4.42 0.11 0.00 4.34 9.65 -1.87 -1.21 114.38 129.82 3d1i h ARG 322 Ca -0.45 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 3d1i h ARG 322 Cb 1.21 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 3d1i h ARG 322 CO 0.69 0.07 0.00 0.00 2.80 0.00 0.00 179.97 183.53 3d1i h ARG 323 N 0.11 0.00 0.00 0.20 3.08 -1.92 -1.63 114.38 114.23 3d1i h ARG 323 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3d1i h ARG 323 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3d1i h ARG 323 CO -0.04 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.86 3d1i n ALA 324 N -1.92 1.93 -3.75 0.04 0.00 -0.46 -4.07 120.51 112.29 3d1i n ALA 324 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 3d1i n ALA 324 Cb 0.10 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 3d1i n ALA 324 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3d1i s ASN 325 N -2.98 3.94 -0.14 0.00 2.47 -0.61 -2.23 114.94 115.39 3d1i s ASN 325 Ca 0.10 -2.06 -0.07 0.00 0.42 0.00 0.00 52.86 51.25 3d1i s ASN 325 Cb 0.13 -0.99 0.05 0.00 -1.45 0.00 0.00 41.25 39.00 3d1i s ASN 325 CO 0.37 -0.36 0.33 -2.28 -3.72 0.00 0.00 177.10 171.44 3d1i s HIS 326 N 1.08 -0.47 -0.28 0.43 2.46 -0.55 -4.92 115.29 113.04 3d1i s HIS 326 Ca 0.13 1.04 -0.12 0.00 0.47 0.00 0.00 55.06 56.58 3d1i s HIS 326 Cb -0.20 0.16 -0.05 0.00 -0.13 0.00 0.00 32.58 32.36 3d1i s HIS 326 CO -0.14 -0.29 0.24 -0.06 -2.47 0.00 0.00 174.74 172.02 3d1i s PHE 327 N 1.32 3.23 0.24 3.88 0.40 -1.26 0.16 117.98 125.95 3d1i s PHE 327 Ca -0.09 0.20 -0.03 0.00 -0.60 0.00 0.00 56.93 56.41 3d1i s PHE 327 Cb -0.09 -2.43 0.26 0.00 0.51 0.00 0.00 43.02 41.27 3d1i s PHE 327 CO -0.11 -0.18 1.68 0.74 0.70 0.00 0.00 175.22 178.06 3d1i h PHE 328 N 8.31 0.82 -6.07 0.36 -1.00 -1.93 -3.44 116.94 113.99 3d1i h PHE 328 Ca -0.34 -0.16 -0.42 0.00 2.81 0.00 0.00 57.97 59.85 3d1i h PHE 328 Cb 1.18 -0.20 0.05 0.00 3.61 0.00 0.00 35.95 40.59 3d1i h PHE 328 CO 0.76 0.85 -0.77 1.87 -1.61 0.00 0.00 178.31 179.40 3d1i n TRP 329 N -4.14 -2.23 -4.00 -0.55 -0.00 -1.26 -4.97 117.44 100.28 3d1i n TRP 329 Ca 0.01 0.90 -0.14 0.00 -0.00 0.00 0.00 57.50 58.27 3d1i n TRP 329 Cb 0.39 -4.45 -0.15 0.00 -0.00 0.00 0.00 31.31 27.10 3d1i n TRP 329 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3d1i s ALA 330 N -3.45 0.23 1.01 5.87 0.00 -1.26 -4.96 121.76 119.20 3d1i s ALA 330 Ca 0.31 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 3d1i s ALA 330 Cb -0.15 -0.10 0.20 0.00 0.00 0.00 0.00 23.12 23.07 3d1i s ALA 330 CO 0.79 0.03 1.15 0.54 0.00 0.00 0.00 175.76 178.28 3d1i s ASN 331 N 0.12 2.60 0.35 0.00 2.20 -1.26 -4.67 114.94 114.28 3d1i s ASN 331 Ca -0.01 0.82 0.03 0.00 -0.94 0.00 0.00 52.86 52.76 3d1i s ASN 331 Cb -0.03 -1.25 0.66 0.00 -2.00 0.00 0.00 41.25 38.63 3d1i s ASN 331 CO -0.00 -3.10 2.00 1.62 -2.94 0.00 0.00 177.10 174.67 3d1i h VAL 332 N -1.88 1.13 0.00 3.54 3.04 -1.99 -0.04 116.25 120.05 3d1i h VAL 332 Ca -0.49 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 3d1i h VAL 332 Cb 1.31 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 3d1i h VAL 332 CO 0.51 0.15 0.00 0.49 -1.01 0.00 0.00 177.57 177.71 3d1i n PHE 333 N -4.45 0.00 0.52 3.17 3.72 -1.26 -3.15 117.46 116.01 3d1i n PHE 333 Ca 0.08 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.53 3d1i n PHE 333 Cb 0.09 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 38.17 3d1i n PHE 333 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3d1i n ASP 334 N -1.43 0.89 -0.05 4.37 8.00 -0.28 -4.74 116.55 123.31 3d1i n ASP 334 Ca 0.10 -0.95 -0.11 0.00 0.71 0.00 0.00 54.79 54.54 3d1i n ASP 334 Cb 0.31 0.75 -0.04 0.00 -0.02 0.00 0.00 41.12 42.12 3d1i n ASP 334 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3d1i h TYR 335 N 0.60 0.30 -0.71 1.24 3.20 -1.02 -1.62 116.97 118.95 3d1i h TYR 335 Ca 0.00 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.90 3d1i h TYR 335 Cb 0.32 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 3d1i h TYR 335 CO 0.00 0.33 0.43 -0.22 -1.64 0.00 0.00 178.16 177.06 3d1i h LYS 336 N 0.18 0.78 -0.77 1.82 3.64 -1.85 0.13 116.57 120.49 3d1i h LYS 336 Ca 0.07 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3d1i h LYS 336 Cb 0.15 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3d1i h LYS 336 CO -0.01 0.51 0.33 1.49 -2.27 0.00 0.00 179.45 179.51 3d1i h GLU 337 N 0.80 1.13 -0.84 1.90 4.81 -1.86 0.57 114.58 121.09 3d1i h GLU 337 Ca 0.31 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3d1i h GLU 337 Cb 0.12 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3d1i h GLU 337 CO -0.15 0.91 0.48 0.00 -0.73 0.00 0.00 179.01 179.51 3d1i h ALA 338 N 1.17 1.08 -0.25 2.92 0.00 -0.23 0.12 119.26 124.07 3d1i h ALA 338 Ca 0.26 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3d1i h ALA 338 Cb 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3d1i h ALA 338 CO -0.03 0.57 -0.53 0.00 0.00 0.00 0.00 179.25 179.27 3d1i h ALA 339 N 1.26 0.59 -0.70 0.00 0.00 -0.42 -2.97 119.26 117.02 3d1i h ALA 339 Ca 0.30 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3d1i h ALA 339 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3d1i h ALA 339 CO -0.05 0.68 0.27 1.96 0.00 0.00 0.00 179.25 182.11 3d1i h GLN 340 N 0.57 1.04 -0.90 0.00 4.20 -0.53 0.45 115.11 119.93 3d1i h GLN 340 Ca 0.02 -0.18 0.14 0.00 0.06 0.00 0.00 58.65 58.68 3d1i h GLN 340 Cb 1.10 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.64 3d1i h GLN 340 CO 0.11 0.85 0.58 0.93 -0.67 0.00 0.00 178.83 180.63 3d1i h GLU 341 N 1.01 0.72 -0.38 1.46 5.08 -0.61 -0.08 114.58 121.80 3d1i h GLU 341 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3d1i h GLU 341 Cb 0.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3d1i h GLU 341 CO -0.02 0.48 0.00 0.44 -1.00 0.00 0.00 179.01 178.91 3d1i n ILE 342 N -4.57 0.61 -3.39 3.13 -5.35 -1.03 -5.01 119.36 103.75 3d1i n ILE 342 Ca 0.17 -0.80 -0.18 0.00 -0.27 0.00 0.00 62.75 61.67 3d1i n ILE 342 Cb 0.44 0.85 0.04 0.00 -1.74 0.00 0.00 39.64 39.24 3d1i n ILE 342 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3d1i n ASP 343 N 1.20 -6.35 -3.78 7.28 2.03 0.10 -4.99 116.55 112.04 3d1i n ASP 343 Ca 0.17 -0.70 -0.13 0.00 0.52 0.00 0.00 54.79 54.65 3d1i n ASP 343 Cb 0.53 -4.40 -0.12 0.00 -0.72 0.00 0.00 41.12 36.41 3d1i n ASP 343 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3d1i s PHE 344 N -3.31 -0.28 0.13 -0.67 2.19 -0.90 -3.33 117.98 111.82 3d1i s PHE 344 Ca 0.34 0.68 -0.00 0.00 0.33 0.00 0.00 56.93 58.29 3d1i s PHE 344 Cb -0.08 0.09 -0.04 0.00 -1.31 0.00 0.00 43.02 41.67 3d1i s PHE 344 CO 0.79 -0.15 0.03 -0.59 1.83 0.00 0.00 175.22 177.13 3d1i s PHE 345 N 0.32 0.93 -0.17 10.12 -0.71 0.74 -4.67 117.98 124.54 3d1i s PHE 345 Ca -0.02 -1.14 -0.19 0.00 -1.04 0.00 0.00 56.93 54.54 3d1i s PHE 345 Cb -0.03 -0.54 -0.22 0.00 -1.21 0.00 0.00 43.02 41.02 3d1i s PHE 345 CO -0.01 -0.40 0.33 -0.44 -1.34 0.00 0.00 175.22 173.37 3d1i h ASP 346 N 2.85 0.12 -5.10 1.98 5.19 -1.56 -0.85 116.42 119.04 3d1i h ASP 346 Ca -0.35 -0.67 -0.04 0.00 -0.62 0.00 0.00 57.03 55.35 3d1i h ASP 346 Cb 1.19 -0.04 -0.11 0.00 0.18 0.00 0.00 39.33 40.55 3d1i h ASP 346 CO 0.61 1.53 -0.02 0.72 -3.12 0.00 0.00 179.24 178.96 3d1i s PHE 347 N -2.40 -0.10 -0.21 4.55 -0.71 -1.00 -4.61 117.98 113.51 3d1i s PHE 347 Ca -0.26 -0.24 -0.09 0.00 -1.04 0.00 0.00 56.93 55.30 3d1i s PHE 347 Cb 0.05 0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 42.14 3d1i s PHE 347 CO 0.65 -0.85 0.11 1.03 -1.34 0.00 0.00 175.22 174.83 3d1i s ARG 348 N -3.86 4.07 0.28 1.99 0.52 -1.26 -0.35 118.95 120.34 3d1i s ARG 348 Ca 0.08 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 3d1i s ARG 348 Cb 0.00 -3.38 -0.12 0.00 0.52 0.00 0.00 34.95 31.98 3d1i s ARG 348 CO -0.05 0.21 1.63 -1.58 0.02 0.00 0.00 175.30 175.53 3d1i s HIS 349 N 0.58 2.77 0.46 -0.53 5.65 0.23 -4.67 115.29 119.79 3d1i s HIS 349 Ca 0.06 0.67 0.24 0.00 0.25 0.00 0.00 55.06 56.29 3d1i s HIS 349 Cb -0.12 -4.10 1.42 0.00 -1.18 0.00 0.00 32.58 28.60 3d1i s HIS 349 CO 0.01 -3.79 2.10 0.00 -0.65 0.00 0.00 174.74 172.40 3d1i h ALA 350 N 5.27 1.46 0.00 1.58 0.00 -1.39 -0.63 119.26 125.55 3d1i h ALA 350 Ca -0.46 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 53.99 3d1i h ALA 350 Cb 1.22 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3d1i h ALA 350 CO 0.83 0.13 -2.25 2.41 0.00 0.00 0.00 179.25 180.37 3d1i n THR 351 N -3.88 1.24 0.11 0.00 -1.04 -1.26 -4.67 114.28 104.78 3d1i n THR 351 Ca -0.02 -0.37 0.08 0.00 -2.04 0.00 0.00 64.05 61.70 3d1i n THR 351 Cb 0.20 -1.60 0.01 0.00 -1.82 0.00 0.00 70.33 67.12 3d1i n THR 351 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3d1i h THR 352 N -0.51 0.18 0.00 12.58 1.35 -1.87 -3.44 112.91 121.20 3d1i h THR 352 Ca -0.54 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 3d1i h THR 352 Cb 1.59 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3d1i h THR 352 CO -0.25 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.74 3d1i n GLY 353 N 1.22 0.41 3.77 5.82 0.00 -0.24 -4.91 105.19 111.24 3d1i n GLY 353 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3d1i n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1i s ALA 354 N -2.06 3.43 0.05 4.61 0.00 -1.26 -4.57 121.76 121.96 3d1i s ALA 354 Ca 0.00 1.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.77 3d1i s ALA 354 Cb 0.00 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 3d1i s ALA 354 CO 0.00 -0.47 1.50 0.00 0.00 0.00 0.00 175.76 176.79 3d1i s ALA 355 N -1.17 3.63 0.11 0.00 0.00 -1.26 -0.60 121.76 122.47 3d1i s ALA 355 Ca 0.48 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.55 3d1i s ALA 355 Cb -0.36 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 3d1i s ALA 355 CO 0.48 -0.95 -0.14 -0.51 0.00 0.00 0.00 175.76 174.64 3d1i s LEU 356 N 2.30 2.39 0.40 0.00 1.43 0.53 -4.49 118.68 121.24 3d1i s LEU 356 Ca 0.68 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.86 3d1i s LEU 356 Cb -0.36 -0.53 -0.07 0.00 0.03 0.00 0.00 46.19 45.26 3d1i s LEU 356 CO 0.29 -0.14 0.80 -2.16 0.23 0.00 0.00 176.35 175.37 3d1i s PRO 357 N -2.56 3.88 -0.19 1.29 0.04 -1.26 -1.52 135.00 134.67 3d1i s PRO 357 Ca 0.07 0.62 -0.03 0.00 0.04 0.00 0.00 61.00 61.70 3d1i s PRO 357 Cb -0.05 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3d1i s PRO 357 CO 0.03 -0.02 -0.06 0.21 0.04 0.00 0.00 177.00 177.19 3d1i s LYS 358 N -3.63 3.40 -0.01 4.56 2.47 -1.26 -4.87 119.74 120.40 3d1i s LYS 358 Ca 0.54 -0.63 -0.03 0.00 -1.56 0.00 0.00 55.97 54.29 3d1i s LYS 358 Cb -0.10 -2.91 -0.04 0.00 -1.46 0.00 0.00 37.83 33.32 3d1i s LYS 358 CO 0.27 -0.06 0.17 -0.51 0.16 0.00 0.00 175.35 175.38 3d1i s LEU 359 N 1.11 4.33 -0.03 5.43 2.01 -1.26 -4.89 118.68 125.39 3d1i s LEU 359 Ca 0.01 0.33 0.01 0.00 0.01 0.00 0.00 54.13 54.49 3d1i s LEU 359 Cb -0.15 -2.59 0.02 0.00 0.01 0.00 0.00 46.19 43.48 3d1i s LEU 359 CO -0.01 0.26 -0.03 -1.10 1.01 0.00 0.00 176.35 176.49 3d1i s GLN 360 N -1.92 0.49 0.00 1.70 1.11 -1.26 -4.83 119.66 114.95 3d1i s GLN 360 Ca 0.27 -0.04 0.00 0.00 0.01 0.00 0.00 55.36 55.60 3d1i s GLN 360 Cb -0.13 -0.56 0.00 0.00 -1.01 0.00 0.00 33.01 31.31 3d1i s GLN 360 CO 0.18 -0.06 0.00 -2.39 0.01 0.00 0.00 175.29 173.04 3d1i n HIS 361 N 3.80 0.00 -1.39 0.91 1.44 -1.17 -2.57 115.22 116.24 3d1i n HIS 361 Ca -0.23 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.23 3d1i n HIS 361 Cb 0.52 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.55 3d1i n HIS 361 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3d1i n PRO 362 N -0.22 2.72 -0.22 -1.40 -0.04 -1.26 -1.74 135.00 132.85 3d1i n PRO 362 Ca 0.00 -2.08 -0.06 0.00 -0.04 0.00 0.00 63.50 61.32 3d1i n PRO 362 Cb 0.00 -2.23 0.04 0.00 -0.04 0.00 0.00 33.50 31.27 3d1i n PRO 362 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3d1i h GLU 363 N 3.42 0.85 -0.32 0.54 3.07 -1.82 -2.06 114.58 118.27 3d1i h GLU 363 Ca 0.42 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.20 3d1i h GLU 363 Cb 0.87 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3d1i h GLU 363 CO 0.85 0.60 0.16 0.00 -1.40 0.00 0.00 179.01 179.22 3d1i h ALA 364 N 1.20 0.41 0.00 3.43 0.00 -1.56 -0.33 119.26 122.40 3d1i h ALA 364 Ca 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3d1i h ALA 364 Cb -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3d1i h ALA 364 CO -0.04 -0.05 -0.06 0.93 0.00 0.00 0.00 179.25 180.03 3d1i h GLU 365 N 0.38 0.00 0.17 0.00 3.07 -1.80 -2.73 114.58 113.66 3d1i h GLU 365 Ca 0.11 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.69 3d1i h GLU 365 Cb 0.10 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.04 3d1i h GLU 365 CO -0.02 0.06 -1.18 1.15 -1.40 0.00 0.00 179.01 177.63 3d1i h THR 366 N 0.00 1.35 -0.03 1.13 2.02 -1.10 -3.33 112.91 112.96 3d1i h THR 366 Ca -0.00 -2.53 -0.05 0.00 0.77 0.00 0.00 66.41 64.60 3d1i h THR 366 Cb 0.80 2.94 -0.01 0.00 -1.74 0.00 0.00 68.15 70.14 3d1i h THR 366 CO 0.01 0.75 -0.22 0.15 0.37 0.00 0.00 175.52 176.58 3d1i h PHE 367 N 0.04 0.05 -1.92 3.16 3.57 -0.78 -3.42 116.94 117.64 3d1i h PHE 367 Ca -0.19 -0.01 -0.64 0.00 3.53 0.00 0.00 57.97 60.66 3d1i h PHE 367 Cb 1.90 -0.01 0.05 0.00 2.79 0.00 0.00 35.95 40.68 3d1i h PHE 367 CO 0.14 0.27 0.62 0.91 -2.23 0.00 0.00 178.31 178.02 3d1i n TRP 368 N -4.26 1.85 -0.24 0.41 8.01 -1.06 -1.76 117.44 120.40 3d1i n TRP 368 Ca -0.02 0.47 0.00 0.00 -1.31 0.00 0.00 57.50 56.64 3d1i n TRP 368 Cb 0.29 -2.43 0.00 0.00 -2.01 0.00 0.00 31.31 27.16 3d1i n TRP 368 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3d1i n GLY 369 N 2.96 1.88 3.74 6.99 0.00 -1.26 -5.02 105.19 114.49 3d1i n GLY 369 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3d1i n GLY 369 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d1i s SER 370 N -3.38 3.97 0.22 1.61 1.04 -0.72 -4.76 113.70 111.68 3d1i s SER 370 Ca 0.00 1.72 -0.08 0.00 0.48 0.00 0.00 55.95 58.07 3d1i s SER 370 Cb 0.00 -2.40 0.24 0.00 0.10 0.00 0.00 66.02 63.96 3d1i s SER 370 CO 0.00 -2.36 1.85 0.58 0.98 0.00 0.00 173.24 174.30 3d1i h VAL 371 N -1.35 1.09 -0.46 5.02 2.07 -1.88 0.56 116.25 121.30 3d1i h VAL 371 Ca -0.46 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3d1i h VAL 371 Cb 1.25 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3d1i h VAL 371 CO 0.52 0.17 0.00 0.45 0.02 0.00 0.00 177.57 178.73 3d1i h HIS 372 N 0.93 0.87 -0.50 1.57 3.86 -1.91 -1.92 115.15 118.05 3d1i h HIS 372 Ca 0.32 -0.15 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 3d1i h HIS 372 Cb 0.05 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3d1i h HIS 372 CO -0.04 0.84 -0.04 1.49 0.86 0.00 0.00 177.93 181.04 3d1i h GLU 373 N 0.65 0.87 0.00 2.45 4.22 -1.60 -1.58 114.58 119.59 3d1i h GLU 373 Ca 0.13 -0.27 -0.04 0.00 0.08 0.00 0.00 59.36 59.26 3d1i h GLU 373 Cb 0.49 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3d1i h GLU 373 CO 0.02 0.89 -0.19 0.00 -2.18 0.00 0.00 179.01 177.56 3d1i h ARG 374 N 0.79 0.00 -0.50 1.92 2.47 -0.74 -1.70 114.38 116.63 3d1i h ARG 374 Ca 0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3d1i h ARG 374 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3d1i h ARG 374 CO 0.03 0.19 0.00 0.09 0.56 0.00 0.00 179.97 180.84 3d1i n ASN 375 N -3.64 2.55 -0.07 7.04 3.02 -0.67 -4.91 115.26 118.58 3d1i n ASN 375 Ca -0.01 -2.13 -0.01 0.00 -0.03 0.00 0.00 54.58 52.39 3d1i n ASN 375 Cb 0.32 -0.36 -0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3d1i n ASN 375 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d1i n GLY 376 N 0.94 0.49 3.81 7.41 0.00 -0.64 -5.03 105.19 112.17 3d1i n GLY 376 Ca 0.14 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 3d1i n GLY 376 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d1i s VAL 377 N -2.01 4.37 0.21 1.61 1.01 -0.73 -5.03 120.40 119.83 3d1i s VAL 377 Ca 0.00 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.53 3d1i s VAL 377 Cb 0.00 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3d1i s VAL 377 CO 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 175.10 174.95 3d1i s ALA 378 N -2.00 1.60 0.25 5.51 0.00 -1.26 -4.35 121.76 121.51 3d1i s ALA 378 Ca 0.58 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 3d1i s ALA 378 Cb -0.12 0.61 0.50 0.00 0.00 0.00 0.00 23.12 24.12 3d1i s ALA 378 CO 0.16 -0.32 1.71 0.00 0.00 0.00 0.00 175.76 177.32 3d1i h ALA 380 N 1.59 1.71 -0.26 0.00 0.00 -1.88 -1.03 119.26 119.39 3d1i h ALA 380 Ca 0.44 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3d1i h ALA 380 Cb 0.72 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3d1i h ALA 380 CO -0.45 0.17 0.05 -0.44 0.00 0.00 0.00 179.25 178.57 3d1i h ASP 381 N 0.00 0.34 0.05 0.00 3.32 -1.24 0.28 116.42 119.17 3d1i h ASP 381 Ca -0.00 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 3d1i h ASP 381 Cb 0.25 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3d1i h ASP 381 CO 0.02 0.37 -2.10 0.00 -1.72 0.00 0.00 179.24 175.80 3d1i n HIS 383 N -2.48 0.00 -2.91 0.00 8.25 -0.43 -3.63 115.22 114.02 3d1i n HIS 383 Ca -0.15 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.17 3d1i n HIS 383 Cb 0.80 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.91 3d1i n HIS 383 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d1i n MET 384 N -1.27 0.79 -1.63 -0.41 -0.00 0.04 -2.44 117.12 112.20 3d1i n MET 384 Ca 0.00 -2.32 -0.29 0.00 -0.00 0.00 0.00 57.70 55.09 3d1i n MET 384 Cb 0.02 -1.36 0.11 0.00 -0.00 0.00 0.00 33.22 31.99 3d1i n MET 384 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3d1i s PRO 385 N -0.12 1.60 0.52 3.17 0.04 -0.94 -4.38 135.00 134.88 3d1i s PRO 385 Ca 0.32 0.33 -0.22 0.00 0.04 0.00 0.00 61.00 61.48 3d1i s PRO 385 Cb 0.22 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.82 3d1i s PRO 385 CO -0.18 -1.89 1.28 0.15 0.04 0.00 0.00 177.00 176.40 3d1i s LYS 386 N -5.32 3.35 0.32 4.56 1.02 -1.26 -1.36 119.74 121.04 3d1i s LYS 386 Ca 0.62 2.04 -0.27 0.00 0.02 0.00 0.00 55.97 58.39 3d1i s LYS 386 Cb -0.14 -2.29 -0.09 0.00 -0.52 0.00 0.00 37.83 34.79 3d1i s LYS 386 CO 0.53 -0.96 0.99 0.08 -0.92 0.00 0.00 175.35 175.06 3d1i s VAL 387 N -1.41 3.98 -0.21 3.17 1.01 -0.07 -4.79 120.40 122.07 3d1i s VAL 387 Ca 0.69 1.71 -0.05 0.00 0.00 0.00 0.00 61.98 64.33 3d1i s VAL 387 Cb -0.35 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 3d1i s VAL 387 CO 0.42 0.20 0.01 -1.58 0.00 0.00 0.00 175.10 174.15 3d1i s GLN 388 N -1.93 3.60 -0.03 2.72 0.74 -1.26 -4.64 119.66 118.85 3d1i s GLN 388 Ca 0.50 -0.52 0.04 0.00 0.05 0.00 0.00 55.36 55.42 3d1i s GLN 388 Cb -0.22 -3.12 -0.00 0.00 1.10 0.00 0.00 33.01 30.76 3d1i s GLN 388 CO 0.28 -0.06 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.31 3d1i s LEU 389 N 1.19 1.90 0.26 3.68 1.43 -1.26 -5.02 118.68 120.86 3d1i s LEU 389 Ca 0.03 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3d1i s LEU 389 Cb -0.14 -0.84 0.30 0.00 0.03 0.00 0.00 46.19 45.54 3d1i s LEU 389 CO 0.01 0.14 1.94 -0.33 0.23 0.00 0.00 176.35 178.34 3d1i h GLU 390 N 6.22 1.27 -2.83 1.70 5.08 -2.03 -3.40 114.58 120.59 3d1i h GLU 390 Ca -0.33 -0.08 -0.30 0.00 -1.00 0.00 0.00 59.36 57.65 3d1i h GLU 390 Cb 1.17 -0.29 -0.36 0.00 0.50 0.00 0.00 28.75 29.78 3d1i h GLU 390 CO 0.48 0.84 -0.62 -0.80 -1.00 0.00 0.00 179.01 177.91 3d1i s ASN 391 N -6.16 1.03 0.00 1.42 0.01 -1.26 -5.15 114.94 104.83 3d1i s ASN 391 Ca -0.13 0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.13 3d1i s ASN 391 Cb 0.18 0.35 0.00 0.00 0.41 0.00 0.00 41.25 42.19 3d1i s ASN 391 CO 0.81 -0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.73 3d1i n GLY 392 N 5.32 0.45 3.66 0.66 0.00 -1.26 -5.09 105.19 108.93 3d1i n GLY 392 Ca -0.05 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 3d1i n GLY 392 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d1i s LYS 393 N -2.00 4.23 0.42 1.61 2.20 -1.26 -4.95 119.74 119.99 3d1i s LYS 393 Ca 0.00 0.75 -0.26 0.00 -0.36 0.00 0.00 55.97 56.11 3d1i s LYS 393 Cb 0.00 -3.58 -0.08 0.00 -1.51 0.00 0.00 37.83 32.65 3d1i s LYS 393 CO 0.00 -0.29 1.32 0.54 -0.36 0.00 0.00 175.35 176.56 3d1i s VAL 394 N 2.07 2.52 0.19 4.02 0.11 -1.26 -5.04 120.40 123.01 3d1i s VAL 394 Ca 0.32 0.46 -0.05 0.00 -2.93 0.00 0.00 61.98 59.78 3d1i s VAL 394 Cb -0.16 -3.27 -0.03 0.00 -1.53 0.00 0.00 36.38 31.40 3d1i s VAL 394 CO 0.11 0.06 0.23 -0.72 -3.33 0.00 0.00 175.10 171.45 3d1i s TYR 395 N -1.26 0.80 -0.20 1.54 1.13 -1.26 -5.03 117.35 113.07 3d1i s TYR 395 Ca 0.58 -1.10 -0.18 0.00 -1.41 0.00 0.00 57.07 54.96 3d1i s TYR 395 Cb -0.39 -0.29 -0.03 0.00 -1.10 0.00 0.00 41.96 40.15 3d1i s TYR 395 CO 0.50 -0.72 0.51 0.99 -2.51 0.00 0.00 175.55 174.32 3d1i s THR 396 N -4.08 5.11 0.30 -3.49 2.01 -1.26 -0.89 115.64 113.33 3d1i s THR 396 Ca 0.29 0.93 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 3d1i s THR 396 Cb 0.05 -3.83 -0.12 0.00 0.01 0.00 0.00 72.50 68.61 3d1i s THR 396 CO 0.08 0.18 1.54 -0.24 -0.69 0.00 0.00 174.62 175.48 3d1i n SER 397 N 4.81 3.61 -1.12 3.53 2.88 -0.47 -4.79 113.62 122.08 3d1i n SER 397 Ca -0.05 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.72 3d1i n SER 397 Cb 0.50 -1.56 0.29 0.00 -0.75 0.00 0.00 64.21 62.69 3d1i n SER 397 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3d1i n HIS 398 N 1.80 1.21 -3.05 0.66 8.25 -1.26 -4.44 115.22 118.39 3d1i n HIS 398 Ca 0.08 -0.88 -0.45 0.00 -0.26 0.00 0.00 57.72 56.21 3d1i n HIS 398 Cb 0.36 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 3d1i n HIS 398 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3d1i s SER 399 N -1.72 6.40 -0.49 0.41 0.15 -1.20 -3.58 113.70 113.67 3d1i s SER 399 Ca 0.45 -1.74 -0.27 0.00 0.70 0.00 0.00 55.95 55.10 3d1i s SER 399 Cb 0.36 -2.34 0.03 0.00 -1.71 0.00 0.00 66.02 62.37 3d1i s SER 399 CO 0.10 -1.07 1.02 -1.10 1.20 0.00 0.00 173.24 173.38 3d1i s GLN 400 N 2.53 3.56 0.32 5.44 1.11 -1.25 -4.61 119.66 126.77 3d1i s GLN 400 Ca 0.21 0.24 -0.14 0.00 0.01 0.00 0.00 55.36 55.68 3d1i s GLN 400 Cb -0.15 -3.94 0.02 0.00 -1.01 0.00 0.00 33.01 27.93 3d1i s GLN 400 CO -0.00 -1.35 0.65 -0.98 0.01 0.00 0.00 175.29 173.62 3d1i s ARG 401 N 4.10 1.93 0.35 2.91 1.70 -1.02 -4.79 118.95 124.13 3d1i s ARG 401 Ca 0.40 -1.35 -0.28 0.00 -0.47 0.00 0.00 55.73 54.03 3d1i s ARG 401 Cb -0.09 0.56 -0.12 0.00 -0.57 0.00 0.00 34.95 34.73 3d1i s ARG 401 CO 0.27 -0.86 1.40 -2.37 -1.08 0.00 0.00 175.30 172.66 3d1i n THR 402 N -0.49 1.90 0.13 4.99 5.66 -1.26 -4.46 114.28 120.75 3d1i n THR 402 Ca -0.04 -0.47 0.06 0.00 -3.05 0.00 0.00 64.05 60.54 3d1i n THR 402 Cb 0.60 -1.78 0.30 0.00 -1.55 0.00 0.00 70.33 67.90 3d1i n THR 402 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3d1i n PRO 403 N 0.65 0.07 0.31 1.09 -0.04 -1.24 -2.38 135.00 133.47 3d1i n PRO 403 Ca 0.04 0.53 0.18 0.00 -0.04 0.00 0.00 63.50 64.21 3d1i n PRO 403 Cb 0.37 -1.71 1.03 0.00 -0.04 0.00 0.00 33.50 33.15 3d1i n PRO 403 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d1i h ARG 404 N 0.00 0.00 -0.00 0.54 3.08 -1.90 -0.99 114.38 115.11 3d1i h ARG 404 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3d1i h ARG 404 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3d1i h ARG 404 CO 0.00 0.01 -0.23 -0.25 -1.07 0.00 0.00 179.97 178.43 3d1i n ASP 405 N -3.49 0.23 -2.78 7.04 9.92 -1.00 -4.32 116.55 122.17 3d1i n ASP 405 Ca -0.03 0.14 -0.10 0.00 -0.53 0.00 0.00 54.79 54.27 3d1i n ASP 405 Cb 0.09 -0.15 0.07 0.00 -0.64 0.00 0.00 41.12 40.49 3d1i n ASP 405 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 3d1i n MET 406 N -1.49 1.10 0.20 -1.24 0.00 -0.41 -4.99 117.12 110.30 3d1i n MET 406 Ca 0.07 -2.40 0.05 0.00 0.00 0.00 0.00 57.70 55.41 3d1i n MET 406 Cb 0.34 -0.82 0.43 0.00 0.00 0.00 0.00 33.22 33.16 3d1i n MET 406 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 3d1i h MET 407 N 2.63 0.00 -0.24 3.17 2.86 -1.65 0.92 114.93 122.63 3d1i h MET 407 Ca -0.13 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3d1i h MET 407 Cb 1.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 3d1i h MET 407 CO 0.19 0.31 0.12 0.78 1.06 0.00 0.00 176.91 179.37 3d1i h GLY 408 N 1.10 0.31 1.45 8.32 0.00 -1.94 -0.18 103.07 112.13 3d1i h GLY 408 Ca -0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 47.33 46.94 3d1i h GLY 408 CO 0.04 0.07 -1.37 1.46 0.00 0.00 0.00 176.54 176.74 3d1i h GLN 409 N 0.25 0.39 0.00 4.80 1.08 -1.81 -1.68 115.11 118.14 3d1i h GLN 409 Ca 0.10 -0.67 -0.14 0.00 -1.45 0.00 0.00 58.65 56.48 3d1i h GLN 409 Cb 0.02 0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 3d1i h GLN 409 CO -0.06 1.32 -0.69 0.00 -0.95 0.00 0.00 178.83 178.44 3d1i h ALA 410 N 0.38 0.56 0.00 3.87 0.00 -0.79 -3.42 119.26 119.86 3d1i h ALA 410 Ca -0.20 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3d1i h ALA 410 Cb 2.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3d1i h ALA 410 CO 0.23 0.86 -0.17 0.00 0.00 0.00 0.00 179.25 180.17 3d1i h LEU 412 N 0.00 0.00 -1.13 0.00 3.38 -0.99 1.00 115.31 117.56 3d1i h LEU 412 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3d1i h LEU 412 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3d1i h LEU 412 CO 0.00 0.19 -0.01 0.78 0.09 0.00 0.00 178.44 179.49 3d1i h ASN 413 N 0.00 0.56 0.14 -0.43 2.35 -1.55 -3.04 115.58 113.61 3d1i h ASN 413 Ca -0.00 -0.12 -0.25 0.00 -0.55 0.00 0.00 56.30 55.38 3d1i h ASN 413 Cb 1.07 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.30 3d1i h ASN 413 CO 0.02 0.64 -1.21 0.00 -1.65 0.00 0.00 177.43 175.23 3d1i n HIS 415 N -3.97 2.67 0.32 0.00 8.25 0.31 -4.79 115.22 118.01 3d1i n HIS 415 Ca -0.20 -2.72 0.21 0.00 -0.26 0.00 0.00 57.72 54.75 3d1i n HIS 415 Cb 0.89 -1.54 1.09 0.00 1.12 0.00 0.00 29.99 31.55 3d1i n HIS 415 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d1i h ALA 416 N 5.63 1.03 0.00 -1.41 0.00 -1.75 -2.09 119.26 120.67 3d1i h ALA 416 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3d1i h ALA 416 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3d1i h ALA 416 CO 1.43 0.01 0.00 -0.85 0.00 0.00 0.00 179.25 179.83 3d1i n GLU 417 N -3.14 0.28 -4.56 0.00 0.00 -1.26 -4.84 120.64 107.12 3d1i n GLU 417 Ca -0.02 0.03 -0.30 0.00 0.00 0.00 0.00 57.16 56.87 3d1i n GLU 417 Cb 0.12 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 29.94 3d1i n GLU 417 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3d1i s TRP 418 N -2.70 2.47 0.76 -1.84 0.51 -0.79 -5.11 118.94 112.24 3d1i s TRP 418 Ca 0.22 -0.30 -0.12 0.00 -2.12 0.00 0.00 56.10 53.78 3d1i s TRP 418 Cb 0.18 -1.38 0.05 0.00 -0.81 0.00 0.00 33.47 31.51 3d1i s TRP 418 CO 0.44 0.28 1.12 0.95 -0.51 0.00 0.00 176.95 179.24 3d1i s THR 419 N -0.99 2.94 0.21 2.01 -4.23 -1.26 -4.93 115.64 109.39 3d1i s THR 419 Ca 0.15 0.30 -0.10 0.00 -1.18 0.00 0.00 61.69 60.87 3d1i s THR 419 Cb -0.10 -3.25 0.13 0.00 1.34 0.00 0.00 72.50 70.62 3d1i s THR 419 CO 0.06 -0.40 1.77 -0.08 -0.54 0.00 0.00 174.62 175.43 3d1i h GLU 420 N -0.88 0.49 -0.63 3.99 4.81 -1.97 -1.06 114.58 119.34 3d1i h GLU 420 Ca -0.46 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 3d1i h GLU 420 Cb 1.28 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3d1i h GLU 420 CO 0.64 0.33 0.21 -0.44 -0.73 0.00 0.00 179.01 179.02 3d1i h ASP 421 N 0.51 0.87 -0.53 1.04 3.32 -1.99 -0.88 116.42 118.76 3d1i h ASP 421 Ca 0.29 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3d1i h ASP 421 Cb 0.29 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3d1i h ASP 421 CO -0.24 0.81 0.09 1.56 -1.72 0.00 0.00 179.24 179.74 3d1i h GLN 422 N 0.92 0.87 -0.52 3.56 4.20 -1.80 -1.15 115.11 121.19 3d1i h GLN 422 Ca 0.21 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 3d1i h GLN 422 Cb 0.24 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3d1i h GLN 422 CO -0.01 0.85 0.14 0.00 -0.67 0.00 0.00 178.83 179.14 3d1i h ALA 423 N 0.99 0.69 -0.66 3.87 0.00 -0.79 -0.73 119.26 122.63 3d1i h ALA 423 Ca 0.16 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3d1i h ALA 423 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3d1i h ALA 423 CO 0.01 0.37 0.17 -0.07 0.00 0.00 0.00 179.25 179.73 3d1i h LEU 424 N 0.73 0.97 -0.71 0.00 3.38 -1.04 -1.99 115.31 116.64 3d1i h LEU 424 Ca 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3d1i h LEU 424 Cb 0.32 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3d1i h LEU 424 CO -0.00 0.92 0.31 0.22 0.09 0.00 0.00 178.44 179.99 3d1i h TYR 425 N 0.98 1.05 -0.75 1.13 3.20 -0.72 0.13 116.97 122.00 3d1i h TYR 425 Ca 0.21 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 3d1i h TYR 425 Cb 0.33 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3d1i h TYR 425 CO 0.02 0.79 0.24 0.00 -1.64 0.00 0.00 178.16 177.58 3d1i h ALA 426 N 1.15 1.01 -0.15 1.82 0.00 -0.79 0.15 119.26 122.45 3d1i h ALA 426 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3d1i h ALA 426 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3d1i h ALA 426 CO -0.03 0.66 0.05 0.82 0.00 0.00 0.00 179.25 180.76 3d1i h ILE 427 N 1.11 1.18 -0.26 0.00 2.04 -0.79 -3.01 117.51 117.78 3d1i h ILE 427 Ca 0.24 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 3d1i h ILE 427 Cb 0.30 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3d1i h ILE 427 CO -0.01 0.17 -0.10 0.44 0.00 0.00 0.00 178.15 178.66 3d1i h ASP 428 N 0.07 0.40 -0.40 1.72 3.32 -0.48 -1.16 116.42 119.89 3d1i h ASP 428 Ca 0.05 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.04 3d1i h ASP 428 Cb 0.22 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3d1i h ASP 428 CO -0.00 0.54 0.20 0.22 -1.72 0.00 0.00 179.24 178.48 3d1i h TYR 429 N 0.40 0.38 -0.14 4.55 5.03 -0.88 0.14 116.97 126.44 3d1i h TYR 429 Ca 0.08 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 3d1i h TYR 429 Cb 0.41 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.58 3d1i h TYR 429 CO 0.01 0.20 -0.01 0.82 -1.32 0.00 0.00 178.16 177.86 3d1i h ILE 430 N 0.42 1.26 -0.58 1.81 2.04 -1.29 -1.78 117.51 119.38 3d1i h ILE 430 Ca 0.17 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 3d1i h ILE 430 Cb 0.07 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3d1i h ILE 430 CO -0.12 0.25 0.12 0.11 0.00 0.00 0.00 178.15 178.52 3d1i h LYS 431 N -0.01 0.95 -0.35 2.37 1.57 -1.06 0.84 116.57 120.87 3d1i h LYS 431 Ca 0.04 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3d1i h LYS 431 Cb 0.39 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3d1i h LYS 431 CO 0.01 0.89 0.21 -0.91 -0.57 0.00 0.00 179.45 179.08 3d1i h ASN 432 N 0.85 0.43 -0.20 0.86 2.35 -0.72 0.58 115.58 119.73 3d1i h ASN 432 Ca 0.18 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3d1i h ASN 432 Cb 0.38 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3d1i h ASN 432 CO 0.01 0.37 0.06 0.22 -1.65 0.00 0.00 177.43 176.43 3d1i h TYR 433 N 0.46 0.32 -0.25 1.19 3.20 -1.11 -1.71 116.97 119.07 3d1i h TYR 433 Ca 0.13 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 3d1i h TYR 433 Cb 0.02 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3d1i h TYR 433 CO -0.03 0.41 0.15 1.15 -1.64 0.00 0.00 178.16 178.19 3d1i h THR 434 N 0.14 1.10 -0.66 1.81 2.02 -0.75 -2.47 112.91 114.10 3d1i h THR 434 Ca 0.06 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.04 3d1i h THR 434 Cb 0.24 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3d1i h THR 434 CO -0.00 0.10 0.41 -0.74 0.37 0.00 0.00 175.52 175.66 3d1i h HIS 435 N 0.32 0.77 -0.80 3.16 -0.00 -0.79 0.50 115.15 118.31 3d1i h HIS 435 Ca 0.09 0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.62 3d1i h HIS 435 Cb 0.02 -0.25 -0.09 0.00 -0.00 0.00 0.00 27.41 27.09 3d1i h HIS 435 CO -0.04 0.44 0.38 0.78 -0.00 0.00 0.00 177.93 179.49 3d1i h GLY 436 N 0.81 1.26 1.98 5.26 0.00 -0.98 0.13 103.07 111.53 3d1i h GLY 436 Ca 0.27 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 3d1i h GLY 436 CO -0.10 -0.04 -0.68 0.50 0.00 0.00 0.00 176.54 176.22 3d1i h LYS 437 N 0.57 0.02 -0.24 4.80 1.79 -0.82 -0.39 116.57 122.31 3d1i h LYS 437 Ca 0.43 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.86 3d1i h LYS 437 Cb 0.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 3d1i h LYS 437 CO -0.36 0.69 0.09 0.82 -1.08 0.00 0.00 179.45 179.61 3d1i h ILE 438 N 0.02 1.18 -0.44 1.86 2.04 0.07 0.60 117.51 122.83 3d1i h ILE 438 Ca -0.01 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3d1i h ILE 438 Cb 1.20 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 3d1i h ILE 438 CO 0.09 0.18 0.25 0.58 0.00 0.00 0.00 178.15 179.25 3d1i h VAL 439 N 0.23 1.15 -0.79 1.67 2.07 -0.55 -0.31 116.25 119.73 3d1i h VAL 439 Ca 0.08 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3d1i h VAL 439 Cb 0.21 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3d1i h VAL 439 CO -0.00 0.16 0.31 0.11 0.02 0.00 0.00 177.57 178.16 3d1i h LYS 440 N 0.58 1.19 -0.78 1.57 1.57 -1.00 -0.61 116.57 119.09 3d1i h LYS 440 Ca 0.16 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3d1i h LYS 440 Cb 0.04 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 3d1i h LYS 440 CO -0.03 0.97 0.51 0.77 -0.57 0.00 0.00 179.45 181.10 3d1i h SER 441 N 1.16 0.85 -0.51 0.86 0.02 -0.37 -2.02 113.55 113.53 3d1i h SER 441 Ca 0.26 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 3d1i h SER 441 Cb 0.23 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3d1i h SER 441 CO -0.02 0.60 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.81 3d1i h GLU 442 N 1.00 0.99 -0.58 3.45 5.08 -0.65 -0.72 114.58 123.15 3d1i h GLU 442 Ca 0.30 -0.38 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3d1i h GLU 442 Cb -0.04 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 3d1i h GLU 442 CO -0.09 1.06 0.20 -0.92 -1.00 0.00 0.00 179.01 178.25 3d1i h TYR 443 N 0.85 0.34 0.02 4.33 3.20 -0.65 0.10 116.97 125.16 3d1i h TYR 443 Ca 0.13 0.03 -0.26 0.00 3.14 0.00 0.00 58.73 61.77 3d1i h TYR 443 Cb 0.70 -0.06 0.02 0.00 1.54 0.00 0.00 36.73 38.92 3d1i h TYR 443 CO 0.05 0.07 -1.05 -1.49 -1.64 0.00 0.00 178.16 174.10 3d1i h TRP 444 N 0.37 0.87 -0.61 -3.82 4.06 -1.26 -0.73 115.95 114.82 3d1i h TRP 444 Ca 0.29 -0.49 0.02 0.00 2.06 0.00 0.00 58.89 60.78 3d1i h TRP 444 Cb 0.37 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.40 3d1i h TRP 444 CO -0.18 1.33 0.38 -0.07 -3.56 0.00 0.00 178.44 176.34 3d1i h LEU 445 N 0.31 0.63 -0.68 -4.49 3.38 -0.94 -1.51 115.31 112.00 3d1i h LEU 445 Ca -0.12 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3d1i h LEU 445 Cb 1.70 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.29 3d1i h LEU 445 CO 0.20 0.44 0.17 0.00 0.09 0.00 0.00 178.44 179.34 3d1i h ALA 446 N 1.26 0.90 -0.34 1.53 0.00 -0.66 0.99 119.26 122.94 3d1i h ALA 446 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3d1i h ALA 446 Cb -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3d1i h ALA 446 CO -0.09 0.62 0.18 -0.22 0.00 0.00 0.00 179.25 179.74 3d1i h LYS 447 N 1.03 0.47 0.08 0.00 3.64 -0.91 -0.41 116.57 120.47 3d1i h LYS 447 Ca 0.22 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3d1i h LYS 447 Cb 0.36 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3d1i h LYS 447 CO 0.00 0.40 -0.04 1.98 -2.27 0.00 0.00 179.45 179.52 3d1i h MET 448 N 0.42 -0.11 -0.57 1.90 4.05 -1.02 -3.01 114.93 116.59 3d1i h MET 448 Ca 0.12 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.64 3d1i h MET 448 Cb 0.06 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 30.81 3d1i h MET 448 CO -0.02 -0.03 0.16 0.82 0.23 0.00 0.00 176.91 178.07 3d1i h ILE 449 N -0.16 0.71 0.00 1.77 2.04 -0.56 -1.08 117.51 120.23 3d1i h ILE 449 Ca -0.01 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3d1i h ILE 449 Cb 0.13 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3d1i h ILE 449 CO 0.02 0.06 -0.07 0.44 0.00 0.00 0.00 178.15 178.60 3d1i h ASP 450 N 0.31 0.00 1.50 1.72 3.32 -1.04 -1.81 116.42 120.42 3d1i h ASP 450 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3d1i h ASP 450 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3d1i h ASP 450 CO -0.34 0.07 0.00 -0.07 -1.72 0.00 0.00 179.24 177.18 3d1i h LEU 451 N 0.00 0.00 -0.07 1.55 3.38 -1.06 -3.37 115.31 115.74 3d1i h LEU 451 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3d1i h LEU 451 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3d1i h LEU 451 CO 0.01 0.00 0.02 -0.26 0.09 0.00 0.00 178.44 178.30 3d1i h PHE 452 N 0.00 0.11 -0.77 1.13 -1.00 -1.23 0.74 116.94 115.92 3d1i h PHE 452 Ca 0.00 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 3d1i h PHE 452 Cb 0.75 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.24 3d1i h PHE 452 CO 0.00 0.27 0.46 -1.35 -1.61 0.00 0.00 178.31 176.08 3d1i h PRO 453 N -0.08 1.04 -0.10 1.51 0.11 -1.74 0.17 132.00 132.90 3d1i h PRO 453 Ca 0.02 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3d1i h PRO 453 Cb 0.21 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 3d1i h PRO 453 CO -0.00 0.73 0.02 0.28 -0.21 0.00 0.00 178.00 178.81 3d1i h VAL 454 N 1.06 1.22 0.22 3.15 2.07 -1.67 -0.60 116.25 121.69 3d1i h VAL 454 Ca 0.28 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3d1i h VAL 454 Cb -0.04 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3d1i h VAL 454 CO -0.05 0.19 -0.14 0.00 0.02 0.00 0.00 177.57 177.59 3d1i h ALA 455 N 0.78 -0.34 -0.31 1.67 0.00 -0.62 -0.01 119.26 120.44 3d1i h ALA 455 Ca 0.03 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3d1i h ALA 455 Cb 0.29 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3d1i h ALA 455 CO 0.00 -0.70 -0.08 0.87 0.00 0.00 0.00 179.25 179.35 3d1i h LYS 456 N -0.35 0.00 0.00 0.00 6.56 -0.61 -1.45 116.57 120.72 3d1i h LYS 456 Ca -0.02 -0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.53 3d1i h LYS 456 Cb 0.30 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 3d1i h LYS 456 CO 0.02 0.00 -0.19 0.00 -2.06 0.00 0.00 179.45 177.22 3d1i h ARG 457 N 0.00 0.00 -0.00 3.15 3.08 -0.95 -1.32 114.38 118.34 3d1i h ARG 457 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3d1i h ARG 457 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3d1i h ARG 457 CO -0.32 0.19 -0.01 0.00 -1.07 0.00 0.00 179.97 178.76 3d1i n ALA 458 N -2.23 2.40 -0.91 0.04 0.00 -0.03 -4.92 120.51 114.86 3d1i n ALA 458 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3d1i n ALA 458 Cb 0.37 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3d1i n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d1i n GLY 459 N 1.44 0.65 3.72 0.00 0.00 -0.50 -4.88 105.19 105.63 3d1i n GLY 459 Ca 0.09 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 3d1i n GLY 459 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d1i n VAL 460 N -2.82 2.98 -2.09 1.61 0.31 -0.62 -4.94 118.33 112.75 3d1i n VAL 460 Ca 0.00 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.49 3d1i n VAL 460 Cb 0.10 -1.65 0.01 0.00 -0.91 0.00 0.00 33.84 31.40 3d1i n VAL 460 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3d1i s SER 461 N -0.64 5.63 0.45 4.52 1.04 -1.26 -4.78 113.70 118.66 3d1i s SER 461 Ca 0.64 2.00 0.12 0.00 0.48 0.00 0.00 55.95 59.19 3d1i s SER 461 Cb -0.47 -2.56 1.02 0.00 0.10 0.00 0.00 66.02 64.12 3d1i s SER 461 CO 0.55 -1.27 2.05 -0.33 0.98 0.00 0.00 173.24 175.22 3d1i h GLU 462 N 0.70 0.36 -0.47 4.02 4.39 -1.98 -0.57 114.58 121.03 3d1i h GLU 462 Ca -0.48 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.20 3d1i h GLU 462 Cb 1.24 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 3d1i h GLU 462 CO 0.56 0.24 0.31 -0.44 -1.16 0.00 0.00 179.01 178.52 3d1i h ASP 463 N 0.37 0.53 -0.30 1.42 3.32 -1.98 0.27 116.42 120.04 3d1i h ASP 463 Ca 0.17 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 3d1i h ASP 463 Cb 0.19 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3d1i h ASP 463 CO -0.04 0.38 -0.19 0.58 -1.72 0.00 0.00 179.24 178.25 3d1i h VAL 464 N 0.62 1.30 -1.00 -1.35 2.07 -1.66 -1.19 116.25 115.03 3d1i h VAL 464 Ca 0.17 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.40 3d1i h VAL 464 Cb -0.06 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3d1i h VAL 464 CO -0.04 0.42 0.66 -0.07 0.02 0.00 0.00 177.57 178.56 3d1i h LEU 465 N 0.41 1.13 -0.66 2.57 3.38 -0.89 -1.32 115.31 119.93 3d1i h LEU 465 Ca 0.06 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3d1i h LEU 465 Cb 0.73 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3d1i h LEU 465 CO 0.05 0.80 -0.26 0.78 0.09 0.00 0.00 178.44 179.90 3d1i h ASN 466 N 1.32 0.79 -0.43 -0.43 -0.26 -0.33 0.20 115.58 116.43 3d1i h ASN 466 Ca 0.38 -0.30 0.02 0.00 -0.56 0.00 0.00 56.30 55.84 3d1i h ASN 466 Cb -0.09 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 36.92 3d1i h ASN 466 CO -0.10 1.01 0.26 -0.61 -1.06 0.00 0.00 177.43 176.93 3d1i h GLN 467 N 0.66 0.51 -0.89 0.81 4.15 -0.68 -1.05 115.11 118.61 3d1i h GLN 467 Ca 0.08 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3d1i h GLN 467 Cb 0.78 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 3d1i h GLN 467 CO 0.06 0.34 0.49 0.00 -1.93 0.00 0.00 178.83 177.79 3d1i h ALA 468 N 1.19 1.14 -0.55 3.38 0.00 -0.98 -2.22 119.26 121.22 3d1i h ALA 468 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3d1i h ALA 468 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3d1i h ALA 468 CO -0.07 0.65 0.21 0.00 0.00 0.00 0.00 179.25 180.03 3d1i h ARG 469 N 1.25 0.80 -0.47 0.00 3.08 -0.13 0.64 114.38 119.55 3d1i h ARG 469 Ca 0.31 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 3d1i h ARG 469 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3d1i h ARG 469 CO -0.05 0.67 -0.10 0.93 -1.07 0.00 0.00 179.97 180.35 3d1i h GLU 470 N 0.79 0.85 -0.68 0.04 4.39 -0.84 -1.99 114.58 117.13 3d1i h GLU 470 Ca 0.19 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 3d1i h GLU 470 Cb 0.17 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 3d1i h GLU 470 CO -0.02 0.91 0.15 -0.07 -1.16 0.00 0.00 179.01 178.82 3d1i h LEU 471 N 0.76 1.04 -0.56 1.33 3.38 -0.82 -3.03 115.31 117.42 3d1i h LEU 471 Ca 0.13 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3d1i h LEU 471 Cb 0.60 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3d1i h LEU 471 CO 0.04 1.01 0.30 -0.74 0.09 0.00 0.00 178.44 179.14 3d1i h HIS 472 N 1.04 0.55 -0.40 1.13 2.76 -0.40 0.94 115.15 120.77 3d1i h HIS 472 Ca 0.21 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 3d1i h HIS 472 Cb 0.39 -0.17 -0.09 0.00 1.55 0.00 0.00 27.41 29.09 3d1i h HIS 472 CO 0.03 0.28 -0.19 -0.92 -1.30 0.00 0.00 177.93 175.83 3d1i h TYR 473 N 0.58 -0.48 -0.22 5.26 5.03 -1.24 0.21 116.97 126.11 3d1i h TYR 473 Ca 0.24 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.52 3d1i h TYR 473 Cb 0.12 0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.67 3d1i h TYR 473 CO -0.09 -0.27 -0.16 -0.44 -1.32 0.00 0.00 178.16 175.88 3d1i h ASP 474 N -0.12 0.52 -0.82 -2.11 3.32 -1.48 -0.63 116.42 115.09 3d1i h ASP 474 Ca 0.20 -0.45 0.04 0.00 0.02 0.00 0.00 57.03 56.84 3d1i h ASP 474 Cb 0.42 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3d1i h ASP 474 CO -0.47 0.86 0.52 0.00 -1.72 0.00 0.00 179.24 178.42 3d1i h ALA 475 N 0.68 1.10 0.44 3.45 0.00 -0.51 -1.44 119.26 122.98 3d1i h ALA 475 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3d1i h ALA 475 Cb 0.69 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3d1i h ALA 475 CO 0.04 0.32 -0.21 1.25 0.00 0.00 0.00 179.25 180.65 3d1i h HIS 476 N 1.00 -0.55 -0.45 0.00 -0.00 -0.42 -2.95 115.15 111.77 3d1i h HIS 476 Ca 0.34 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.79 3d1i h HIS 476 Cb 0.06 0.18 -0.09 0.00 -0.00 0.00 0.00 27.41 27.56 3d1i h HIS 476 CO -0.03 -0.25 -0.13 1.25 -0.00 0.00 0.00 177.93 178.76 3d1i h LEU 477 N -0.79 -0.48 -0.16 0.26 5.85 -0.90 0.40 115.31 119.48 3d1i h LEU 477 Ca -0.06 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3d1i h LEU 477 Cb 0.55 0.30 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3d1i h LEU 477 CO 0.10 -0.17 0.00 -1.22 -0.34 0.00 0.00 178.44 176.81 3d1i n TYR 478 N -5.35 0.35 -0.08 1.25 4.01 -0.56 -2.17 117.16 114.61 3d1i n TYR 478 Ca 0.03 0.12 -0.09 0.00 -0.16 0.00 0.00 57.90 57.80 3d1i n TYR 478 Cb 0.26 -0.70 -0.04 0.00 -0.31 0.00 0.00 39.34 38.55 3d1i n TYR 478 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 3d1i n TRP 479 N -1.81 0.83 0.23 -0.72 -0.00 -0.80 -3.52 117.44 111.65 3d1i n TRP 479 Ca 0.04 0.36 0.10 0.00 -0.00 0.00 0.00 57.50 58.00 3d1i n TRP 479 Cb 0.27 -0.82 0.53 0.00 -0.00 0.00 0.00 31.31 31.29 3d1i n TRP 479 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 3d1i h GLU 480 N -1.00 0.00 -0.98 5.87 4.81 -0.11 -0.12 114.58 123.04 3d1i h GLU 480 Ca -0.10 0.00 0.28 0.00 -0.13 0.00 0.00 59.36 59.41 3d1i h GLU 480 Cb 0.76 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.00 3d1i h GLU 480 CO -0.06 0.22 0.53 2.35 -0.73 0.00 0.00 179.01 181.32 3d1i h TRP 481 N 0.00 0.87 0.00 0.92 2.91 -1.64 -0.08 115.95 118.93 3d1i h TRP 481 Ca -0.00 0.04 -0.16 0.00 1.13 0.00 0.00 58.89 59.89 3d1i h TRP 481 Cb 0.62 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 29.02 3d1i h TRP 481 CO 0.00 -0.09 -1.32 -1.49 -1.03 0.00 0.00 178.44 174.51 3d1i h TRP 482 N 0.40 0.00 0.01 2.65 4.06 -1.30 -0.55 115.95 121.22 3d1i h TRP 482 Ca 0.67 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 61.43 3d1i h TRP 482 Cb 1.41 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.55 3d1i h TRP 482 CO -0.05 0.58 -0.89 1.79 -3.56 0.00 0.00 178.44 176.31 3d1i h THR 483 N 0.00 1.57 -0.31 1.49 1.35 -1.52 -3.26 112.91 112.22 3d1i h THR 483 Ca -0.15 -2.84 -0.12 0.00 -0.55 0.00 0.00 66.41 62.74 3d1i h THR 483 Cb 1.57 2.57 -0.00 0.00 -1.73 0.00 0.00 68.15 70.56 3d1i h THR 483 CO 0.05 0.82 -0.29 0.00 -0.25 0.00 0.00 175.52 175.85 3d1i h ALA 484 N 1.04 0.45 -2.71 6.62 0.00 -0.95 -3.44 119.26 120.26 3d1i h ALA 484 Ca -0.03 -0.41 -0.50 0.00 0.00 0.00 0.00 54.91 53.97 3d1i h ALA 484 Cb 1.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3d1i h ALA 484 CO 0.13 0.47 0.39 -2.00 0.00 0.00 0.00 179.25 178.24 3d1i s GLU 485 N -4.38 4.75 0.00 0.00 -6.30 -0.22 -3.05 118.70 109.50 3d1i s GLU 485 Ca -0.12 1.58 0.26 0.00 -2.50 0.00 0.00 54.97 54.19 3d1i s GLU 485 Cb 0.09 -3.28 0.76 0.00 0.00 0.00 0.00 34.13 31.70 3d1i s GLU 485 CO 0.84 0.34 1.58 0.09 0.02 0.00 0.00 175.26 178.12 3d1i n ASN 486 N 1.80 0.55 -0.29 -1.70 3.02 -1.26 -4.03 115.26 113.34 3d1i n ASN 486 Ca -0.00 -0.34 0.13 0.00 -0.03 0.00 0.00 54.58 54.33 3d1i n ASN 486 Cb 0.47 0.08 0.40 0.00 -0.61 0.00 0.00 39.78 40.12 3d1i n ASN 486 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3d1i n SER 487 N -1.23 1.13 -3.95 6.41 3.41 -1.26 -4.93 113.62 113.19 3d1i n SER 487 Ca 0.08 -1.01 -0.26 0.00 -0.26 0.00 0.00 58.87 57.42 3d1i n SER 487 Cb 0.33 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 3d1i n SER 487 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3d1i n VAL 488 N -0.48 -3.02 0.00 -3.33 0.31 -1.26 -1.77 118.33 108.79 3d1i n VAL 488 Ca 0.13 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3d1i n VAL 488 Cb 0.35 -2.69 0.00 0.00 -0.91 0.00 0.00 33.84 30.59 3d1i n VAL 488 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d1i n GLY 489 N -1.90 2.99 0.36 2.92 0.00 -1.26 -3.94 105.19 104.36 3d1i n GLY 489 Ca -0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.79 3d1i n GLY 489 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3d1i h PHE 490 N 0.00 0.91 0.00 1.61 3.57 -1.66 -0.74 116.94 120.63 3d1i h PHE 490 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3d1i h PHE 490 Cb 0.00 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 3d1i h PHE 490 CO 0.00 0.49 -0.06 0.45 -2.23 0.00 0.00 178.31 176.96 3d1i h HIS 491 N 0.91 0.00 -0.28 0.41 3.86 -1.91 -3.37 115.15 114.76 3d1i h HIS 491 Ca 0.34 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.42 3d1i h HIS 491 Cb 0.19 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.52 3d1i h HIS 491 CO -0.00 0.06 -0.33 -1.71 0.86 0.00 0.00 177.93 176.80 3d1i n ASN 492 N -3.33 -2.46 -0.04 2.45 2.85 -0.52 -4.51 115.26 109.70 3d1i n ASN 492 Ca -0.01 -2.50 -0.00 0.00 -0.11 0.00 0.00 54.58 51.96 3d1i n ASN 492 Cb 0.22 1.39 0.29 0.00 1.24 0.00 0.00 39.78 42.92 3d1i n ASN 492 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3d1i h PRO 493 N 4.10 0.62 -0.27 1.20 0.13 -1.37 -1.27 132.00 135.14 3d1i h PRO 493 Ca -0.09 -0.11 -0.15 0.00 -0.87 0.00 0.00 66.00 64.78 3d1i h PRO 493 Cb 1.11 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 3d1i h PRO 493 CO 0.06 0.58 -0.44 -0.44 -0.23 0.00 0.00 178.00 177.53 3d1i h ASP 494 N 0.60 0.73 -0.32 1.44 3.32 -1.97 -1.87 116.42 118.36 3d1i h ASP 494 Ca 0.14 -0.35 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 3d1i h ASP 494 Cb 0.24 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3d1i h ASP 494 CO -0.00 1.07 -0.10 -0.61 -1.72 0.00 0.00 179.24 177.88 3d1i h GLN 495 N 0.55 0.64 -0.64 3.56 4.15 -1.86 -1.62 115.11 119.89 3d1i h GLN 495 Ca 0.04 -0.25 0.07 0.00 0.77 0.00 0.00 58.65 59.28 3d1i h GLN 495 Cb 0.98 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.58 3d1i h GLN 495 CO 0.09 0.83 0.32 0.00 -1.93 0.00 0.00 178.83 178.14 3d1i h ALA 496 N 0.79 0.86 -0.23 3.38 0.00 -1.14 0.51 119.26 123.44 3d1i h ALA 496 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3d1i h ALA 496 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3d1i h ALA 496 CO 0.04 -0.05 0.04 -0.09 0.00 0.00 0.00 179.25 179.19 3d1i h ARG 497 N 0.58 0.37 -0.51 0.00 2.43 -1.21 0.43 114.38 116.47 3d1i h ARG 497 Ca 0.30 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3d1i h ARG 497 Cb 0.27 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3d1i h ARG 497 CO -0.23 0.51 0.22 1.49 -1.51 0.00 0.00 179.97 180.44 3d1i h GLU 498 N 0.18 0.76 0.21 0.20 4.81 -1.00 -1.47 114.58 118.26 3d1i h GLU 498 Ca 0.07 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3d1i h GLU 498 Cb 0.31 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3d1i h GLU 498 CO 0.00 0.66 -0.10 1.03 -0.73 0.00 0.00 179.01 179.87 3d1i h SER 499 N 0.68 -0.24 -0.84 1.04 0.87 -0.70 -1.70 113.55 112.67 3d1i h SER 499 Ca 0.17 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3d1i h SER 499 Cb 0.17 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 3d1i h SER 499 CO -0.02 -0.07 0.47 -0.07 -0.53 0.00 0.00 176.83 176.61 3d1i h LEU 500 N -0.40 1.05 -1.16 2.23 3.38 -0.83 0.66 115.31 120.24 3d1i h LEU 500 Ca -0.03 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3d1i h LEU 500 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3d1i h LEU 500 CO 0.05 0.84 0.13 0.24 0.09 0.00 0.00 178.44 179.79 3d1i h MET 501 N 1.18 0.72 -0.41 1.13 2.86 -1.21 -1.53 114.93 117.68 3d1i h MET 501 Ca 0.30 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3d1i h MET 501 Cb 0.02 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3d1i h MET 501 CO -0.05 0.64 0.12 1.15 1.06 0.00 0.00 176.91 179.84 3d1i h THR 502 N 0.70 1.22 -0.12 2.22 2.02 -0.26 -1.07 112.91 117.62 3d1i h THR 502 Ca 0.16 -0.73 0.04 0.00 0.77 0.00 0.00 66.41 66.65 3d1i h THR 502 Cb 0.24 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 3d1i h THR 502 CO -0.01 0.26 -0.20 -1.28 0.37 0.00 0.00 175.52 174.66 3d1i h SER 503 N 0.51 -0.62 -0.62 4.18 0.87 -0.36 -0.31 113.55 117.20 3d1i h SER 503 Ca 0.13 0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.84 3d1i h SER 503 Cb 0.27 0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 3d1i h SER 503 CO -0.00 -0.25 0.35 0.40 -0.53 0.00 0.00 176.83 176.79 3d1i h ILE 504 N -0.26 1.00 -0.65 2.23 2.04 -1.23 -0.14 117.51 120.49 3d1i h ILE 504 Ca 0.09 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.77 3d1i h ILE 504 Cb 0.40 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 3d1i h ILE 504 CO -0.27 0.12 0.38 0.28 0.00 0.00 0.00 178.15 178.66 3d1i h SER 505 N 0.66 0.59 -0.20 1.72 0.02 -0.61 0.10 113.55 115.84 3d1i h SER 505 Ca 0.27 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.15 3d1i h SER 505 Cb 0.12 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3d1i h SER 505 CO -0.15 0.39 -0.19 0.11 -1.14 0.00 0.00 176.83 175.85 3d1i h LYS 506 N 0.72 0.48 -0.62 3.45 1.79 -0.31 -1.15 116.57 120.94 3d1i h LYS 506 Ca 0.28 -0.25 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 3d1i h LYS 506 Cb 0.12 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 3d1i h LYS 506 CO -0.15 0.82 0.40 0.77 -1.08 0.00 0.00 179.45 180.21 3d1i h SER 507 N 0.16 0.67 -0.63 0.86 0.02 -0.85 -1.11 113.55 112.65 3d1i h SER 507 Ca 0.03 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3d1i h SER 507 Cb 0.73 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3d1i h SER 507 CO 0.05 0.47 0.42 0.11 -1.14 0.00 0.00 176.83 176.74 3d1i h LYS 508 N 0.79 0.83 -0.51 3.45 1.57 -0.63 0.17 116.57 122.24 3d1i h LYS 508 Ca 0.24 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3d1i h LYS 508 Cb -0.04 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 3d1i h LYS 508 CO -0.08 0.55 0.31 1.49 -0.57 0.00 0.00 179.45 181.15 3d1i h GLU 509 N 0.85 0.59 -0.53 3.15 4.81 -0.70 -1.24 114.58 121.53 3d1i h GLU 509 Ca 0.23 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 3d1i h GLU 509 Cb -0.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3d1i h GLU 509 CO -0.05 0.39 -0.08 0.00 -0.73 0.00 0.00 179.01 178.54 3d1i h ALA 510 N 1.22 0.86 -0.14 2.92 0.00 -0.71 -1.41 119.26 122.00 3d1i h ALA 510 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3d1i h ALA 510 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3d1i h ALA 510 CO -0.09 0.65 0.09 0.28 0.00 0.00 0.00 179.25 180.18 3d1i h VAL 511 N 0.87 1.05 -0.27 0.00 2.07 -0.29 -0.48 116.25 119.20 3d1i h VAL 511 Ca 0.14 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3d1i h VAL 511 Cb 0.62 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3d1i h VAL 511 CO 0.04 0.05 0.17 0.28 0.02 0.00 0.00 177.57 178.13 3d1i h SER 512 N 0.18 0.31 -0.27 0.57 0.02 -1.04 0.75 113.55 114.07 3d1i h SER 512 Ca 0.05 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3d1i h SER 512 Cb 0.00 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 3d1i h SER 512 CO -0.01 0.24 -0.15 0.25 -1.14 0.00 0.00 176.83 176.02 3d1i h LEU 513 N 0.35 -0.49 -0.22 5.07 5.85 -1.10 -0.88 115.31 123.89 3d1i h LEU 513 Ca 0.10 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 3d1i h LEU 513 Cb -0.02 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3d1i h LEU 513 CO -0.02 -0.18 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.62 3d1i h LEU 514 N -0.12 0.57 -0.47 2.25 3.38 -0.84 -1.44 115.31 118.64 3d1i h LEU 514 Ca 0.14 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.66 3d1i h LEU 514 Cb 0.33 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3d1i h LEU 514 CO -0.34 0.92 0.29 0.78 0.09 0.00 0.00 178.44 180.18 3d1i h ASN 515 N 0.23 0.48 -0.45 -0.43 2.35 -0.76 0.98 115.58 117.97 3d1i h ASN 515 Ca 0.04 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3d1i h ASN 515 Cb 0.75 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 3d1i h ASN 515 CO 0.05 0.34 0.22 0.44 -1.65 0.00 0.00 177.43 176.84 3d1i h ASP 516 N 0.58 0.59 -0.48 5.81 3.32 -1.11 0.21 116.42 125.34 3d1i h ASP 516 Ca 0.18 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3d1i h ASP 516 Cb -0.01 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3d1i h ASP 516 CO -0.07 0.54 0.20 0.00 -1.72 0.00 0.00 179.24 178.20 3d1i h ALA 517 N 1.07 0.62 -0.09 3.45 0.00 -0.94 0.18 119.26 123.55 3d1i h ALA 517 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3d1i h ALA 517 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3d1i h ALA 517 CO -0.02 0.22 0.05 0.82 0.00 0.00 0.00 179.25 180.31 3d1i h ILE 518 N 0.63 1.07 -0.96 0.00 2.04 -0.55 -2.30 117.51 117.44 3d1i h ILE 518 Ca 0.16 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.84 3d1i h ILE 518 Cb 0.17 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3d1i h ILE 518 CO -0.02 0.06 0.64 0.44 0.00 0.00 0.00 178.15 179.28 3d1i h ASP 519 N 0.06 1.09 -1.00 1.72 3.32 -0.66 -0.81 116.42 120.14 3d1i h ASP 519 Ca 0.03 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3d1i h ASP 519 Cb 0.06 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 3d1i h ASP 519 CO -0.01 0.77 0.66 0.00 -1.72 0.00 0.00 179.24 178.95 3d1i h ALA 520 N 1.41 1.32 -0.19 3.45 0.00 -0.47 0.19 119.26 124.97 3d1i h ALA 520 Ca 0.36 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3d1i h ALA 520 Cb -0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 3d1i h ALA 520 CO -0.09 0.60 -0.40 1.96 0.00 0.00 0.00 179.25 181.32 3d1i h GLN 521 N 1.31 0.45 -0.42 0.00 1.08 -0.61 -2.16 115.11 114.75 3d1i h GLN 521 Ca 0.38 -0.22 -0.15 0.00 -1.45 0.00 0.00 58.65 57.21 3d1i h GLN 521 Cb -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3d1i h GLN 521 CO -0.11 0.78 -0.34 0.28 -0.95 0.00 0.00 178.83 178.49 3d1i h VAL 522 N 0.37 1.27 0.00 -0.54 2.07 -0.97 -3.51 116.25 114.94 3d1i h VAL 522 Ca 0.03 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.04 3d1i h VAL 522 Cb 0.87 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3d1i h VAL 522 CO 0.07 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.17