#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 4.20 -0.11 3.41 1.43 -1.26 -5.03 118.68 121.32 3d1i s LEU 6 Ca 0.00 2.58 0.03 0.00 -1.03 0.00 0.00 54.13 55.71 3d1i s LEU 6 Cb 0.00 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.28 3d1i s LEU 6 CO 0.00 -0.83 -0.23 -0.54 0.23 0.00 0.00 176.35 174.99 3d1i s LYS 7 N -2.27 2.93 0.54 1.70 -0.14 -1.26 -5.11 119.74 116.13 3d1i s LYS 7 Ca 0.57 -0.83 -0.19 0.00 -1.36 0.00 0.00 55.97 54.16 3d1i s LYS 7 Cb -0.36 -2.26 -0.06 0.00 -1.68 0.00 0.00 37.83 33.47 3d1i s LYS 7 CO 0.46 0.12 1.11 -1.25 -0.76 0.00 0.00 175.35 175.03 3d1i s PRO 8 N 0.49 3.39 0.35 -1.68 0.04 -1.26 -4.86 135.00 131.46 3d1i s PRO 8 Ca -0.16 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.51 3d1i s PRO 8 Cb -0.17 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3d1i s PRO 8 CO 0.06 -0.81 0.30 0.14 0.04 0.00 0.00 177.00 176.73 3d1i s VAL 9 N -1.85 3.41 -0.60 -0.36 -7.23 -1.26 -5.06 120.40 107.45 3d1i s VAL 9 Ca 0.71 -1.38 -0.26 0.00 -1.81 0.00 0.00 61.98 59.24 3d1i s VAL 9 Cb -0.22 -3.15 0.04 0.00 0.56 0.00 0.00 36.38 33.60 3d1i s VAL 9 CO 0.27 -0.15 1.09 -0.62 -0.31 0.00 0.00 175.10 175.38 3d1i s ASP 10 N -4.00 6.34 0.49 4.85 2.15 -1.26 -4.83 116.67 120.40 3d1i s ASP 10 Ca 0.42 -0.24 0.20 0.00 0.43 0.00 0.00 52.55 53.35 3d1i s ASP 10 Cb -0.05 -2.50 1.24 0.00 -0.30 0.00 0.00 42.92 41.31 3d1i s ASP 10 CO 0.27 -1.44 2.06 0.00 -0.17 0.00 0.00 175.17 175.88 3d1i h ALA 11 N 9.53 1.58 -0.46 3.66 0.00 -2.00 -2.25 119.26 129.32 3d1i h ALA 11 Ca -0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3d1i h ALA 11 Cb 1.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3d1i h ALA 11 CO 1.16 0.17 0.17 0.52 0.00 0.00 0.00 179.25 181.27 3d1i h MET 12 N 0.00 0.66 -0.53 0.00 2.86 -1.99 0.16 114.93 116.09 3d1i h MET 12 Ca -0.00 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3d1i h MET 12 Cb 0.27 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3d1i h MET 12 CO 0.02 0.56 0.24 0.37 1.06 0.00 0.00 176.91 179.16 3d1i h GLN 13 N 0.66 0.77 -0.53 1.72 4.15 -1.82 -2.35 115.11 117.71 3d1i h GLN 13 Ca 0.16 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 3d1i h GLN 13 Cb 0.16 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 3d1i h GLN 13 CO -0.01 0.65 0.23 0.00 -1.93 0.00 0.00 178.83 177.77 3d1i h PHE 15 N 0.71 0.00 -0.77 0.00 0.04 -0.33 -1.32 116.94 115.27 3d1i h PHE 15 Ca 0.18 0.00 0.11 0.00 2.80 0.00 0.00 57.97 61.06 3d1i h PHE 15 Cb 0.16 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.25 3d1i h PHE 15 CO 0.00 0.07 0.50 0.22 -0.60 0.00 0.00 178.31 178.50 3d1i h ASP 16 N 0.00 0.57 -0.00 2.17 3.58 -1.33 -2.18 116.42 119.23 3d1i h ASP 16 Ca -0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 3d1i h ASP 16 Cb 0.25 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.20 3d1i h ASP 16 CO 0.01 0.32 -0.65 0.00 -2.88 0.00 0.00 179.24 176.04 3d1i n HIS 18 N -1.27 3.40 -0.27 0.00 8.25 -0.69 -4.90 115.22 119.74 3d1i n HIS 18 Ca 0.03 -4.07 -0.05 0.00 -0.26 0.00 0.00 57.72 53.36 3d1i n HIS 18 Cb 0.23 -0.53 0.06 0.00 1.12 0.00 0.00 29.99 30.87 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 3.00 1.21 -0.39 1.59 2.02 -1.86 -0.37 112.91 118.11 3d1i h THR 19 Ca 0.17 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.90 3d1i h THR 19 Cb 0.65 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3d1i h THR 19 CO 0.80 0.22 0.20 1.56 0.37 0.00 0.00 175.52 178.68 3d1i h GLN 20 N 1.03 0.40 -0.46 6.66 4.20 -1.92 -0.48 115.11 124.53 3d1i h GLN 20 Ca 0.27 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 3d1i h GLN 20 Cb -0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3d1i h GLN 20 CO -0.05 0.27 0.15 0.82 -0.67 0.00 0.00 178.83 179.35 3d1i h ILE 21 N 0.41 1.22 -0.34 2.54 1.08 -1.87 -2.31 117.51 118.25 3d1i h ILE 21 Ca 0.16 -0.72 0.06 0.00 -0.39 0.00 0.00 64.86 63.97 3d1i h ILE 21 Cb 0.06 0.83 -0.06 0.00 -3.07 0.00 0.00 36.82 34.58 3d1i h ILE 21 CO -0.11 0.26 -0.02 -0.08 -0.69 0.00 0.00 178.15 177.51 3d1i h GLU 22 N 0.61 0.07 -0.46 2.37 4.81 -0.69 0.41 114.58 121.70 3d1i h GLU 22 Ca 0.15 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3d1i h GLU 22 Cb 0.25 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3d1i h GLU 22 CO -0.01 0.05 0.30 -0.44 -0.73 0.00 0.00 179.01 178.18 3d1i h ASP 23 N 0.07 0.48 0.02 1.04 3.32 -0.76 -1.18 116.42 119.41 3d1i h ASP 23 Ca 0.16 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3d1i h ASP 23 Cb 0.23 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3d1i h ASP 23 CO -0.29 0.34 -0.37 0.24 -1.72 0.00 0.00 179.24 177.44 3d1i h MET 24 N 0.56 0.05 -0.30 3.56 2.86 -0.75 -3.38 114.93 117.53 3d1i h MET 24 Ca 0.18 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 3d1i h MET 24 Cb 0.03 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3d1i h MET 24 CO -0.04 1.04 -0.20 1.25 1.06 0.00 0.00 176.91 180.01 3d1i h HIS 25 N -0.90 0.77 0.00 -0.22 -0.00 -0.12 -2.94 115.15 111.74 3d1i h HIS 25 Ca -0.09 -0.21 -0.00 0.00 -0.00 0.00 0.00 60.37 60.07 3d1i h HIS 25 Cb 1.16 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 28.40 3d1i h HIS 25 CO 0.23 0.92 -0.01 1.79 -0.00 0.00 0.00 177.93 180.86 3d1i h THR 26 N 0.41 0.02 0.00 6.26 1.35 -1.41 -3.07 112.91 116.47 3d1i h THR 26 Ca 0.06 -0.47 -0.31 0.00 -0.55 0.00 0.00 66.41 65.14 3d1i h THR 26 Cb 0.74 1.46 -0.06 0.00 -1.73 0.00 0.00 68.15 68.56 3d1i h THR 26 CO 0.05 0.01 -2.30 0.52 -0.25 0.00 0.00 175.52 173.55 3d1i n VAL 27 N -3.10 1.15 -2.15 6.82 0.31 -1.20 -4.80 118.33 115.36 3d1i n VAL 27 Ca 0.00 -0.79 -0.03 0.00 -0.01 0.00 0.00 64.34 63.52 3d1i n VAL 27 Cb 0.28 -0.40 0.02 0.00 -0.91 0.00 0.00 33.84 32.83 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 1.70 0.53 0.08 2.92 0.00 -1.12 -4.96 105.19 104.33 3d1i n GLY 28 Ca -0.28 -1.93 0.06 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.23 1.10 -0.44 1.61 5.02 -1.08 -2.51 118.16 120.63 3d1i n LYS 29 Ca 0.02 -0.15 0.08 0.00 -2.02 0.00 0.00 58.31 56.24 3d1i n LYS 29 Cb 0.07 -1.18 0.26 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.52 0.95 0.25 2.13 8.25 -1.26 -4.67 115.22 120.36 3d1i n HIS 30 Ca 0.08 -0.82 0.13 0.00 -0.26 0.00 0.00 57.72 56.85 3d1i n HIS 30 Cb 0.07 -0.29 0.78 0.00 1.12 0.00 0.00 29.99 31.67 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 1.97 1.82 -0.02 -1.41 0.00 -1.39 0.63 119.26 120.86 3d1i h ALA 31 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d1i h ALA 31 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3d1i h ALA 31 CO 0.21 -0.07 -0.02 0.25 0.00 0.00 0.00 179.25 179.62 3d1i n THR 32 N -4.17 0.00 -3.13 0.00 -2.24 -1.26 -4.86 114.28 98.62 3d1i n THR 32 Ca -0.02 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 3d1i n THR 32 Cb 0.14 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.08 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 -2.03 4.90 0.48 2.28 1.01 0.21 -5.03 120.40 122.22 3d1i s VAL 33 Ca 0.34 0.48 -0.21 0.00 0.00 0.00 0.00 61.98 62.59 3d1i s VAL 33 Cb 0.21 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 3d1i s VAL 33 CO 0.34 -0.35 1.12 0.21 0.00 0.00 0.00 175.10 176.42 3d1i s ASN 34 N 1.82 6.13 0.52 3.32 3.84 -1.26 -4.91 114.94 124.39 3d1i s ASN 34 Ca 0.23 2.17 0.22 0.00 0.21 0.00 0.00 52.86 55.69 3d1i s ASN 34 Cb -0.15 -2.59 1.33 0.00 -0.55 0.00 0.00 41.25 39.30 3d1i s ASN 34 CO 0.15 -0.94 2.03 0.00 -2.79 0.00 0.00 177.10 175.55 3d1i h VAL 36 N 0.05 0.00 0.00 0.00 3.04 -1.90 0.11 116.25 117.55 3d1i h VAL 36 Ca 0.20 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.75 3d1i h VAL 36 Cb 0.74 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 31.09 3d1i h VAL 36 CO -0.01 0.00 -0.06 0.45 -1.01 0.00 0.00 177.57 176.94 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 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3d1i h HIS 37 CO 0.00 0.06 0.00 0.00 0.86 0.00 0.00 177.93 178.85 3d1i s HIS 39 N -0.24 0.64 -0.38 0.00 3.76 0.26 -0.08 115.29 119.25 3d1i s HIS 39 Ca 0.00 -0.13 -0.02 0.00 -0.15 0.00 0.00 55.06 54.76 3d1i s HIS 39 Cb 0.00 -0.44 0.09 0.00 1.11 0.00 0.00 32.58 33.34 3d1i s HIS 39 CO 0.00 -0.04 0.15 0.34 -0.85 0.00 0.00 174.74 174.34 3d1i s ASP 40 N 0.02 5.16 -0.10 1.40 -1.08 -0.33 -4.10 116.67 117.63 3d1i s ASP 40 Ca 0.00 -1.84 0.15 0.00 -0.52 0.00 0.00 52.55 50.35 3d1i s ASP 40 Cb -0.05 -1.80 0.23 0.00 -1.46 0.00 0.00 42.92 39.85 3d1i s ASP 40 CO -0.00 -0.47 1.12 0.00 0.52 0.00 0.00 175.17 176.34 3d1i n ALA 41 N 4.59 2.20 0.03 3.66 0.00 -1.26 -1.36 120.51 128.37 3d1i n ALA 41 Ca -0.05 -2.29 -0.12 0.00 0.00 0.00 0.00 53.44 50.99 3d1i n ALA 41 Cb 0.42 -0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 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 0.02 1.09 -0.13 0.00 2.02 -1.98 0.11 112.91 114.03 3d1i h THR 42 Ca 0.00 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 3d1i h THR 42 Cb 0.90 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3d1i h THR 42 CO 0.00 0.07 -0.35 -0.33 0.37 0.00 0.00 175.52 175.28 3d1i h GLU 43 N -0.10 0.27 -0.24 6.66 5.08 -1.94 -2.53 114.58 121.78 3d1i h GLU 43 Ca 0.00 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3d1i h GLU 43 Cb 0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3d1i h GLU 43 CO -0.00 0.59 0.15 1.25 -1.00 0.00 0.00 179.01 179.99 3d1i h HIS 44 N 0.23 0.28 -0.30 4.33 2.76 -1.61 -2.25 115.15 118.60 3d1i h HIS 44 Ca 0.03 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 3d1i h HIS 44 Cb 0.73 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 3d1i h HIS 44 CO 0.01 0.17 0.02 0.28 -1.30 0.00 0.00 177.93 177.12 3d1i h VAL 45 N 0.30 1.17 0.00 5.26 2.07 -0.64 0.16 116.25 124.58 3d1i h VAL 45 Ca 0.09 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3d1i h VAL 45 Cb -0.02 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3d1i h VAL 45 CO -0.03 0.22 -0.28 -0.33 0.02 0.00 0.00 177.57 177.18 3d1i h GLU 46 N 0.43 0.00 0.00 1.57 5.08 -1.15 -3.35 114.58 117.16 3d1i h GLU 46 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3d1i h GLU 46 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3d1i h GLU 46 CO 0.00 0.28 -0.62 0.25 -1.00 0.00 0.00 179.01 177.92 3d1i n THR 47 N -3.39 0.00 -1.50 1.13 -2.24 -0.81 -5.06 114.28 102.41 3d1i n THR 47 Ca 0.00 -0.17 -0.31 0.00 -2.27 0.00 0.00 64.05 61.30 3d1i n THR 47 Cb 0.48 0.67 0.06 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.58 2.48 0.52 6.98 0.00 0.51 -4.29 121.76 126.37 3d1i s ALA 48 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3d1i s ALA 48 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 3d1i s ALA 48 CO 0.00 -1.43 0.01 -1.54 0.00 0.00 0.00 175.76 172.80 3d1i s SER 49 N -3.39 4.11 0.52 0.00 1.04 -0.15 -4.94 113.70 110.89 3d1i s SER 49 Ca 0.61 -1.69 0.22 0.00 0.48 0.00 0.00 55.95 55.56 3d1i s SER 49 Cb -0.16 0.63 1.34 0.00 0.10 0.00 0.00 66.02 67.93 3d1i s SER 49 CO 0.52 -0.91 2.05 0.28 0.98 0.00 0.00 173.24 176.17 3d1i h SER 50 N 1.32 0.01 0.00 7.02 0.02 -1.98 -3.16 113.55 116.77 3d1i h SER 50 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3d1i h SER 50 Cb 1.32 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3d1i h SER 50 CO 0.73 0.01 -0.18 -2.11 -1.14 0.00 0.00 176.83 174.13 3d1i n ARG 51 N -4.44 5.75 -5.12 3.45 1.85 -1.26 -5.02 116.66 111.88 3d1i n ARG 51 Ca 0.05 -0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.58 3d1i n ARG 51 Cb 0.41 -0.60 -0.15 0.00 -1.05 0.00 0.00 32.46 31.07 3d1i n ARG 51 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3d1i s ARG 52 N -1.21 2.34 0.30 2.89 1.81 -1.20 -4.32 118.95 119.56 3d1i s ARG 52 Ca 0.00 -0.82 0.07 0.00 -1.72 0.00 0.00 55.73 53.26 3d1i s ARG 52 Cb 0.00 -2.21 0.48 0.00 -0.45 0.00 0.00 34.95 32.78 3d1i s ARG 52 CO 0.02 0.56 1.72 1.98 -0.68 0.00 0.00 175.30 178.91 3d1i h MET 53 N 5.50 0.24 0.00 3.54 4.05 -1.92 -0.37 114.93 125.97 3d1i h MET 53 Ca -0.43 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 3d1i h MET 53 Cb 1.14 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 3d1i h MET 53 CO 0.49 0.60 0.00 0.41 0.23 0.00 0.00 176.91 178.63 3d1i n GLY 54 N -0.24 1.09 3.77 1.39 0.00 -1.26 -4.03 105.19 105.91 3d1i n GLY 54 Ca -0.01 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 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 3.95 -0.02 1.61 0.41 -1.26 -4.93 118.70 118.45 3d1i s GLU 55 Ca 0.00 1.93 -0.26 0.00 -0.41 0.00 0.00 54.97 56.23 3d1i s GLU 55 Cb 0.00 -2.64 -0.04 0.00 -1.78 0.00 0.00 34.13 29.67 3d1i s GLU 55 CO 0.00 -0.44 0.83 0.50 -0.49 0.00 0.00 175.26 175.66 3d1i s ARG 56 N -2.36 4.50 0.71 1.61 3.52 -1.26 -4.11 118.95 121.56 3d1i s ARG 56 Ca 0.59 1.14 -0.12 0.00 -0.13 0.00 0.00 55.73 57.20 3d1i s ARG 56 Cb -0.33 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.64 3d1i s ARG 56 CO 0.41 0.04 1.09 -1.25 -0.81 0.00 0.00 175.30 174.78 3d1i s PRO 57 N 0.80 2.61 0.01 5.12 0.04 -1.26 -4.82 135.00 137.50 3d1i s PRO 57 Ca 0.44 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 3d1i s PRO 57 Cb -0.19 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3d1i s PRO 57 CO 0.23 -1.37 0.82 0.08 0.04 0.00 0.00 177.00 176.80 3d1i s VAL 58 N -2.71 4.83 -0.12 -0.36 1.01 -0.47 -4.93 120.40 117.65 3d1i s VAL 58 Ca 0.63 1.74 0.03 0.00 0.00 0.00 0.00 61.98 64.38 3d1i s VAL 58 Cb -0.18 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.04 3d1i s VAL 58 CO 0.50 0.28 -0.22 -0.89 0.00 0.00 0.00 175.10 174.77 3d1i s THR 59 N 0.45 1.96 -0.06 3.92 2.01 -1.26 -1.18 115.64 121.48 3d1i s THR 59 Ca 0.43 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 3d1i s THR 59 Cb -0.20 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 3d1i s THR 59 CO 0.24 0.53 1.21 -0.13 -0.69 0.00 0.00 174.62 175.79 3d1i s ARG 60 N 0.65 4.34 0.00 4.92 0.52 0.89 -4.89 118.95 125.38 3d1i s ARG 60 Ca -0.12 1.69 0.16 0.00 -0.52 0.00 0.00 55.73 56.94 3d1i s ARG 60 Cb -0.16 -3.57 -0.10 0.00 0.52 0.00 0.00 34.95 31.64 3d1i s ARG 60 CO 0.03 -0.47 0.76 -1.33 0.02 0.00 0.00 175.30 174.31 3d1i n MET 61 N 5.28 1.74 -2.30 3.54 2.81 -1.26 -4.96 117.12 121.97 3d1i n MET 61 Ca 0.11 -0.36 -0.35 0.00 -1.81 0.00 0.00 57.70 55.29 3d1i n MET 61 Cb 0.46 -1.26 -0.01 0.00 -0.71 0.00 0.00 33.22 31.70 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 -2.25 5.89 0.50 7.83 -4.77 -1.26 -4.85 116.67 117.76 3d1i s ASP 62 Ca 0.09 2.17 0.29 0.00 -3.30 0.00 0.00 52.55 51.80 3d1i s ASP 62 Cb 0.13 -2.58 0.94 0.00 -1.09 0.00 0.00 42.92 40.31 3d1i s ASP 62 CO 0.55 -1.10 1.83 -0.07 0.70 0.00 0.00 175.17 177.07 3d1i h LEU 63 N 1.40 0.00 -1.11 2.11 4.07 -1.93 -2.49 115.31 117.36 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 0.58 0.02 0.00 -0.33 -1.08 0.00 0.00 178.44 177.63 3d1i h GLU 64 N 0.00 0.00 -0.07 1.13 5.08 -1.94 -0.87 114.58 117.91 3d1i h GLU 64 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3d1i h GLU 64 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3d1i h GLU 64 CO 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 179.01 178.08 3d1i h ALA 65 N 2.15 1.83 0.00 3.43 0.00 -1.79 -2.34 119.26 122.54 3d1i h ALA 65 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3d1i h ALA 65 Cb 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3d1i h ALA 65 CO 0.00 -0.10 -1.91 0.00 0.00 0.00 0.00 179.25 177.24 3d1i h ALA 67 N 1.85 1.00 -0.13 0.00 0.00 -1.08 -0.86 119.26 120.04 3d1i h ALA 67 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 3d1i h ALA 67 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3d1i h ALA 67 CO 0.01 0.00 -0.70 1.15 0.00 0.00 0.00 179.25 179.70 3d1i h THR 68 N 0.00 1.33 0.00 0.00 2.02 -1.78 -2.76 112.91 111.72 3d1i h THR 68 Ca 0.00 -2.01 0.00 0.00 0.77 0.00 0.00 66.41 65.17 3d1i h THR 68 Cb 0.53 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3d1i h THR 68 CO 0.00 0.62 -1.07 0.00 0.37 0.00 0.00 175.52 175.44 3d1i n HIS 70 N -1.59 1.36 -0.25 0.00 8.25 -0.34 -4.94 115.22 117.71 3d1i n HIS 70 Ca 0.03 -3.40 -0.04 0.00 -0.26 0.00 0.00 57.72 54.06 3d1i n HIS 70 Cb 0.36 -0.38 0.07 0.00 1.12 0.00 0.00 29.99 31.16 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 2.13 1.12 -0.43 1.59 2.02 -1.72 -1.99 112.91 115.63 3d1i h THR 71 Ca 0.05 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.96 3d1i h THR 71 Cb 0.98 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3d1i h THR 71 CO 0.58 0.16 0.23 0.00 0.37 0.00 0.00 175.52 176.86 3d1i h ALA 72 N 1.29 0.55 -0.45 6.16 0.00 -1.92 0.14 119.26 125.03 3d1i h ALA 72 Ca 0.28 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3d1i h ALA 72 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3d1i h ALA 72 CO -0.10 -0.12 0.09 1.96 0.00 0.00 0.00 179.25 181.08 3d1i h GLN 73 N 0.45 0.73 -0.14 0.00 7.50 -1.83 -1.85 115.11 119.97 3d1i h GLN 73 Ca 0.18 -0.19 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3d1i h GLN 73 Cb 0.08 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 3d1i h GLN 73 CO -0.12 0.74 0.08 0.35 -1.50 0.00 0.00 178.83 178.38 3d1i h PHE 74 N 0.60 0.15 -0.59 2.96 3.57 -1.06 -0.13 116.94 122.44 3d1i h PHE 74 Ca 0.14 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3d1i h PHE 74 Cb 0.35 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3d1i h PHE 74 CO 0.02 0.09 0.09 -0.91 -2.23 0.00 0.00 178.31 175.37 3d1i h ASN 75 N 0.17 0.91 -0.40 0.41 2.35 -0.69 -1.11 115.58 117.21 3d1i h ASN 75 Ca 0.05 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3d1i h ASN 75 Cb -0.01 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3d1i h ASN 75 CO -0.02 0.92 0.17 -1.28 -1.65 0.00 0.00 177.43 175.56 3d1i h SER 76 N 0.90 0.54 -0.50 5.81 0.87 -1.25 -2.83 113.55 117.09 3d1i h SER 76 Ca 0.18 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3d1i h SER 76 Cb 0.41 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 3d1i h SER 76 CO 0.01 0.55 0.32 0.15 -0.53 0.00 0.00 176.83 177.33 3d1i h PHE 77 N 0.50 0.60 -0.00 2.24 3.57 -0.31 -3.05 116.94 120.48 3d1i h PHE 77 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3d1i h PHE 77 Cb 0.17 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3d1i h PHE 77 CO -0.00 0.37 -0.11 1.33 -2.23 0.00 0.00 178.31 177.67 3d1i n VAL 78 N -4.76 0.00 -1.67 1.41 0.24 -0.49 -4.60 118.33 108.47 3d1i n VAL 78 Ca 0.03 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 3d1i n VAL 78 Cb 0.04 -0.21 -0.01 0.00 -1.47 0.00 0.00 33.84 32.18 3d1i n VAL 78 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3d1i n GLU 79 N -1.18 1.92 -3.77 7.34 2.13 -1.08 -4.56 120.64 121.45 3d1i n GLU 79 Ca 0.12 0.67 -0.36 0.00 0.66 0.00 0.00 57.16 58.26 3d1i n GLU 79 Cb 0.29 -2.20 -0.09 0.00 0.27 0.00 0.00 31.44 29.70 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 -1.04 5.15 -0.73 6.31 1.01 -1.26 -4.83 120.40 125.02 3d1i s VAL 80 Ca 0.57 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.42 3d1i s VAL 80 Cb -0.61 -3.38 0.07 0.00 0.00 0.00 0.00 36.38 32.47 3d1i s VAL 80 CO 0.61 0.39 1.07 -0.60 0.00 0.00 0.00 175.10 176.57 3d1i s ARG 81 N 0.79 3.21 0.54 2.72 3.52 -1.26 -4.88 118.95 123.59 3d1i s ARG 81 Ca 0.06 -0.86 0.27 0.00 -0.13 0.00 0.00 55.73 55.07 3d1i s ARG 81 Cb -0.13 -4.37 1.54 0.00 -1.56 0.00 0.00 34.95 30.43 3d1i s ARG 81 CO 0.02 -1.89 2.13 0.45 -0.81 0.00 0.00 175.30 175.20 3d1i h HIS 82 N 9.58 0.00 0.00 5.12 3.86 -2.02 -1.13 115.15 130.56 3d1i h HIS 82 Ca -0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 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 1.04 0.08 0.00 0.39 0.86 0.00 0.00 177.93 180.30 3d1i n GLU 83 N -3.81 0.18 -2.72 2.45 4.71 -1.26 -4.30 120.64 115.89 3d1i n GLU 83 Ca -0.02 0.39 -0.42 0.00 -0.01 0.00 0.00 57.16 57.10 3d1i n GLU 83 Cb 0.18 -1.84 -0.03 0.00 -1.01 0.00 0.00 31.44 28.74 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 -4.16 6.23 0.14 1.62 0.01 -0.43 -4.97 113.70 112.14 3d1i s SER 84 Ca 0.05 -0.91 -0.35 0.00 1.31 0.00 0.00 55.95 56.05 3d1i s SER 84 Cb 0.10 -2.48 -0.15 0.00 0.21 0.00 0.00 66.02 63.70 3d1i s SER 84 CO 0.40 -1.57 1.52 1.41 0.41 0.00 0.00 173.24 175.41 3d1i n HIS 85 N 8.35 2.08 -3.40 2.43 -0.00 -1.26 -4.84 115.22 118.58 3d1i n HIS 85 Ca 0.04 0.36 -0.34 0.00 -0.00 0.00 0.00 57.72 57.78 3d1i n HIS 85 Cb 0.48 -2.49 -0.06 0.00 -0.00 0.00 0.00 29.99 27.92 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 0.81 3.90 -1.52 -0.41 0.04 -1.26 -4.35 135.00 132.20 3d1i s PRO 86 Ca 0.80 0.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 3d1i s PRO 86 Cb -0.75 -2.85 0.08 0.00 0.04 0.00 0.00 34.50 31.02 3d1i s PRO 86 CO 0.40 0.44 0.93 -2.13 0.04 0.00 0.00 177.00 176.67 3d1i n ARG 87 N 0.51 -5.23 -3.36 4.56 3.00 -1.26 -4.92 116.66 109.96 3d1i n ARG 87 Ca -0.04 0.58 -0.43 0.00 -0.00 0.00 0.00 57.85 57.96 3d1i n ARG 87 Cb 0.52 -5.40 -0.09 0.00 0.00 0.00 0.00 32.46 27.49 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 -7.22 4.93 0.12 6.15 2.96 -1.26 -4.95 118.68 119.42 3d1i s LEU 88 Ca 0.59 -0.74 -0.31 0.00 -0.22 0.00 0.00 54.13 53.45 3d1i s LEU 88 Cb -0.30 -2.33 -0.09 0.00 0.50 0.00 0.00 46.19 43.98 3d1i s LEU 88 CO 0.84 -0.55 1.49 -0.70 -1.32 0.00 0.00 176.35 176.11 3d1i s GLU 89 N 2.02 4.26 0.36 1.98 2.56 -1.26 -0.68 118.70 127.95 3d1i s GLU 89 Ca 0.10 2.21 0.18 0.00 0.00 0.00 0.00 54.97 57.46 3d1i s GLU 89 Cb -0.18 -3.27 0.62 0.00 2.00 0.00 0.00 34.13 33.30 3d1i s GLU 89 CO 0.13 -0.55 1.71 0.87 -0.56 0.00 0.00 175.26 176.86 3d1i h LYS 90 N 7.05 0.00 -1.99 4.30 1.57 -0.94 -3.32 116.57 123.23 3d1i h LYS 90 Ca -0.42 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.14 3d1i h LYS 90 Cb 1.20 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.43 3d1i h LYS 90 CO 0.89 0.39 -0.25 0.00 -0.57 0.00 0.00 179.45 179.92 3d1i n ALA 91 N -2.29 6.23 -2.38 3.86 0.00 -1.26 -1.51 120.51 123.16 3d1i n ALA 91 Ca -0.00 -1.89 -0.13 0.00 0.00 0.00 0.00 53.44 51.42 3d1i n ALA 91 Cb 0.53 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 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 0.44 0.83 0.60 0.00 -4.23 -1.25 -4.85 115.64 107.17 3d1i s THR 92 Ca 0.61 -1.74 0.35 0.00 -1.18 0.00 0.00 61.69 59.73 3d1i s THR 92 Cb 0.31 -1.46 0.39 0.00 1.34 0.00 0.00 72.50 73.08 3d1i s THR 92 CO -0.03 -0.68 2.28 -0.65 -0.54 0.00 0.00 174.62 175.00 3d1i h PRO 93 N 3.34 0.00 -0.20 3.99 0.11 -1.88 -2.15 132.00 135.21 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 0.57 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.62 3d1i n THR 94 N -3.53 0.25 -1.88 -1.15 -2.24 -1.26 -4.81 114.28 99.65 3d1i n THR 94 Ca -0.03 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3d1i n THR 94 Cb 0.09 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 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 1.37 0.36 0.11 3.42 2.88 -0.81 -5.05 113.62 115.91 3d1i n SER 95 Ca 0.16 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.67 3d1i n SER 95 Cb 0.58 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.01 -2.36 -1.46 2.47 -1.79 -3.40 114.38 107.86 3d1i h ARG 96 Ca 0.00 -0.01 -0.58 0.00 -1.26 0.00 0.00 59.98 58.12 3d1i h ARG 96 Cb 0.00 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 27.95 3d1i h ARG 96 CO 0.00 0.75 -0.97 0.45 0.56 0.00 0.00 179.97 180.76 3d1i s SER 97 N -6.81 1.43 0.39 7.04 0.15 -0.57 -4.92 113.70 110.42 3d1i s SER 97 Ca -0.01 -3.02 0.15 0.00 0.70 0.00 0.00 55.95 53.78 3d1i s SER 97 Cb 0.12 -0.40 1.01 0.00 -1.71 0.00 0.00 66.02 65.03 3d1i s SER 97 CO 0.78 -0.17 1.83 -0.65 1.20 0.00 0.00 173.24 176.23 3d1i h PRO 98 N 5.68 0.48 -0.55 5.44 0.11 -1.73 -1.25 132.00 140.17 3d1i h PRO 98 Ca 0.26 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 66.15 3d1i h PRO 98 Cb 0.91 -0.11 -0.11 0.00 0.11 0.00 0.00 31.00 31.80 3d1i h PRO 98 CO 0.36 0.32 0.16 -1.33 -0.21 0.00 0.00 178.00 177.30 3d1i n MET 99 N -4.57 2.86 -0.35 1.05 2.81 -1.26 -4.49 117.12 113.17 3d1i n MET 99 Ca 0.21 -3.05 0.00 0.00 -1.81 0.00 0.00 57.70 53.05 3d1i n MET 99 Cb 0.68 -2.02 0.14 0.00 -0.71 0.00 0.00 33.22 31.31 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 1.82 1.13 -0.69 2.03 3.57 -1.55 -2.11 116.94 121.14 3d1i h PHE 100 Ca 0.24 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 3d1i h PHE 100 Cb 2.01 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 40.35 3d1i h PHE 100 CO 1.07 0.63 0.32 -0.44 -2.23 0.00 0.00 178.31 177.66 3d1i h ASP 101 N 1.15 0.91 -0.51 0.41 3.32 -1.83 0.14 116.42 120.00 3d1i h ASP 101 Ca 0.39 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3d1i h ASP 101 Cb 0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3d1i h ASP 101 CO -0.14 0.80 0.05 0.50 -1.72 0.00 0.00 179.24 178.73 3d1i h LYS 102 N 0.96 0.87 -0.02 3.56 3.64 -1.86 -2.52 116.57 121.21 3d1i h LYS 102 Ca 0.24 -0.25 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 3d1i h LYS 102 Cb 0.14 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3d1i h LYS 102 CO -0.03 0.88 -0.75 -0.07 -2.27 0.00 0.00 179.45 177.21 3d1i h LEU 103 N 0.75 0.17 -2.07 5.20 4.07 -0.81 -3.25 115.31 119.36 3d1i h LEU 103 Ca 0.15 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3d1i h LEU 103 Cb 0.45 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.14 3d1i h LEU 103 CO 0.02 0.85 0.00 0.00 -1.08 0.00 0.00 178.44 178.23 3d1i n ILE 104 N -3.72 0.19 -1.62 1.22 0.13 0.43 -4.99 119.36 111.00 3d1i n ILE 104 Ca -0.02 -0.59 -0.54 0.00 -1.10 0.00 0.00 62.75 60.49 3d1i n ILE 104 Cb 0.72 1.31 -0.06 0.00 -0.84 0.00 0.00 39.64 40.76 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 1.39 -0.93 0.00 1.51 0.00 -0.95 -0.62 120.51 120.92 3d1i n ALA 105 Ca 0.16 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3d1i n ALA 105 Cb 0.60 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 2.91 2.42 3.84 0.00 0.00 -1.26 -0.94 105.19 112.16 3d1i n GLY 106 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.43 3.34 0.59 1.61 5.04 0.21 -4.80 115.29 118.85 3d1i s HIS 107 Ca 0.00 0.16 0.38 0.00 -1.54 0.00 0.00 55.06 54.05 3d1i s HIS 107 Cb 0.00 -1.68 2.10 0.00 0.04 0.00 0.00 32.58 33.03 3d1i s HIS 107 CO 0.00 0.55 2.29 0.78 -2.34 0.00 0.00 174.74 176.02 3d1i h GLY 108 N 3.21 0.00 2.00 1.59 0.00 -1.97 -2.17 103.07 105.74 3d1i h GLY 108 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3d1i h GLY 108 CO 0.70 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.98 3d1i h PHE 109 N 0.00 0.00 -0.14 5.60 -1.00 -1.90 -0.48 116.94 119.02 3d1i h PHE 109 Ca -0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 3d1i h PHE 109 Cb 0.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 3d1i h PHE 109 CO 0.00 0.00 0.15 0.00 -1.61 0.00 0.00 178.31 176.85 3d1i h ALA 110 N 2.00 1.76 -0.02 2.45 0.00 -1.67 -2.38 119.26 121.40 3d1i h ALA 110 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3d1i h ALA 110 Cb 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3d1i h ALA 110 CO 0.00 -0.22 -0.77 0.74 0.00 0.00 0.00 179.25 179.00 3d1i h PHE 111 N 0.00 0.20 -1.05 0.00 0.04 -1.30 -3.47 116.94 111.36 3d1i h PHE 111 Ca 0.07 -0.10 0.20 0.00 2.80 0.00 0.00 57.97 60.94 3d1i h PHE 111 Cb 0.37 -0.03 -0.33 0.00 2.20 0.00 0.00 35.95 38.16 3d1i h PHE 111 CO 0.00 0.85 0.84 -2.00 -0.60 0.00 0.00 178.31 177.40 3d1i s GLU 112 N -3.38 0.04 -0.29 1.51 2.12 -0.90 -4.72 118.70 113.08 3d1i s GLU 112 Ca -0.02 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.37 3d1i s GLU 112 Cb 0.11 0.02 0.14 0.00 0.26 0.00 0.00 34.13 34.66 3d1i s GLU 112 CO 0.81 -0.01 0.32 -1.58 -0.54 0.00 0.00 175.26 174.26 3d1i s HIS 113 N 0.45 -0.55 0.39 5.30 2.46 -1.24 -4.56 115.29 117.54 3d1i s HIS 113 Ca 0.01 -0.11 -0.01 0.00 0.47 0.00 0.00 55.06 55.42 3d1i s HIS 113 Cb -0.04 -0.41 -0.03 0.00 -0.13 0.00 0.00 32.58 31.98 3d1i s HIS 113 CO -0.13 -0.94 0.61 0.00 -2.47 0.00 0.00 174.74 171.81 3d1i s ALA 114 N 2.36 3.65 0.65 1.58 0.00 -1.26 -0.25 121.76 128.49 3d1i s ALA 114 Ca 0.10 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 3d1i s ALA 114 Cb -0.14 -2.20 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 3d1i s ALA 114 CO -0.31 -0.15 1.18 -1.21 0.00 0.00 0.00 175.76 175.27 3d1i s GLU 115 N -4.44 2.68 0.58 0.00 2.02 0.15 -4.81 118.70 114.88 3d1i s GLU 115 Ca 0.43 1.70 -0.18 0.00 0.02 0.00 0.00 54.97 56.94 3d1i s GLU 115 Cb -0.10 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 3d1i s GLU 115 CO 0.38 -1.40 1.10 -1.25 0.02 0.00 0.00 175.26 174.11 3d1i s PRO 116 N -3.69 3.24 0.00 0.39 0.04 -1.26 -4.66 135.00 129.06 3d1i s PRO 116 Ca 0.74 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3d1i s PRO 116 Cb -0.27 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3d1i s PRO 116 CO 0.39 -0.91 0.00 2.89 0.04 0.00 0.00 177.00 179.40 3d1i n ARG 117 N -1.70 2.06 -1.78 4.56 1.85 -1.26 -4.84 116.66 115.55 3d1i n ARG 117 Ca 0.11 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.58 3d1i n ARG 117 Cb 0.52 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.99 3d1i n ARG 117 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3d1i s SER 118 N 0.07 4.82 0.50 2.89 0.01 -1.26 -4.87 113.70 115.85 3d1i s SER 118 Ca 0.00 2.64 0.19 0.00 1.31 0.00 0.00 55.95 60.09 3d1i s SER 118 Cb 0.00 -2.62 1.25 0.00 0.21 0.00 0.00 66.02 64.86 3d1i s SER 118 CO 0.00 -1.87 2.03 0.45 0.41 0.00 0.00 173.24 174.27 3d1i h HIS 119 N 0.80 0.13 -0.96 2.43 3.86 -1.88 -2.11 115.15 117.43 3d1i h HIS 119 Ca -0.51 0.00 0.26 0.00 -1.16 0.00 0.00 60.37 58.96 3d1i h HIS 119 Cb 1.33 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.70 3d1i h HIS 119 CO 0.43 0.06 0.66 0.00 0.86 0.00 0.00 177.93 179.95 3d1i h ALA 120 N 1.79 2.64 -0.21 2.45 0.00 -1.88 -1.67 119.26 122.39 3d1i h ALA 120 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3d1i h ALA 120 Cb 0.59 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3d1i h ALA 120 CO -0.02 -0.93 0.00 1.19 0.00 0.00 0.00 179.25 179.48 3d1i n PHE 121 N -4.37 0.26 -0.31 0.00 3.72 -0.79 -4.27 117.46 111.70 3d1i n PHE 121 Ca 0.21 -0.13 -0.01 0.00 -0.05 0.00 0.00 57.45 57.47 3d1i n PHE 121 Cb 0.92 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.59 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 2.95 1.00 -0.06 -1.08 -0.00 -1.46 0.24 114.93 116.52 3d1i h MET 122 Ca 0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 59.70 59.54 3d1i h MET 122 Cb 0.65 -0.23 0.00 0.00 -0.00 0.00 0.00 31.60 32.02 3d1i h MET 122 CO 0.00 0.66 -0.33 1.25 -0.00 0.00 0.00 176.91 178.49 3d1i h LEU 123 N 1.03 0.40 -0.86 -0.10 5.85 -1.82 -1.83 115.31 117.98 3d1i h LEU 123 Ca 0.35 -0.67 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 3d1i h LEU 123 Cb 0.07 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3d1i h LEU 123 CO -0.14 1.00 0.14 -0.37 -0.34 0.00 0.00 178.44 178.73 3d1i h VAL 124 N -0.18 1.25 -0.72 1.05 -1.51 -1.83 -1.08 116.25 113.23 3d1i h VAL 124 Ca -0.03 -0.92 -0.05 0.00 -1.23 0.00 0.00 66.70 64.47 3d1i h VAL 124 Cb 1.00 0.62 -0.03 0.00 -2.13 0.00 0.00 31.29 30.75 3d1i h VAL 124 CO 0.07 0.35 0.25 0.44 -1.23 0.00 0.00 177.57 177.45 3d1i h ASP 125 N 0.94 1.03 -0.61 4.19 3.32 -0.52 -1.67 116.42 123.11 3d1i h ASP 125 Ca 0.20 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.11 3d1i h ASP 125 Cb 0.35 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3d1i h ASP 125 CO 0.00 0.95 0.32 -0.74 -1.72 0.00 0.00 179.24 178.05 3d1i h HIS 126 N 1.06 0.58 -0.19 4.55 -0.00 -1.06 -1.84 115.15 118.25 3d1i h HIS 126 Ca 0.24 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.53 3d1i h HIS 126 Cb 0.27 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 3d1i h HIS 126 CO 0.02 0.26 -0.33 0.74 -0.00 0.00 0.00 177.93 178.62 3d1i h PHE 127 N 0.59 0.44 0.00 5.26 0.04 -0.59 -3.33 116.94 119.35 3d1i h PHE 127 Ca 0.28 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3d1i h PHE 127 Cb 0.20 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.25 3d1i h PHE 127 CO -0.10 0.67 -1.23 1.33 -0.60 0.00 0.00 178.31 178.39 3d1i n VAL 128 N -4.08 0.00 -1.77 -0.55 0.24 -0.68 -4.36 118.33 107.13 3d1i n VAL 128 Ca -0.01 -0.17 -0.38 0.00 -2.04 0.00 0.00 64.34 61.74 3d1i n VAL 128 Cb 0.44 0.70 0.04 0.00 -1.47 0.00 0.00 33.84 33.56 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 -3.01 2.05 0.22 3.34 0.11 -0.71 -4.85 120.40 117.55 3d1i s VAL 129 Ca 0.03 0.04 0.36 0.00 -2.93 0.00 0.00 61.98 59.48 3d1i s VAL 129 Cb 0.14 -3.02 0.40 0.00 -1.53 0.00 0.00 36.38 32.37 3d1i s VAL 129 CO 0.81 -0.00 2.07 0.44 -3.33 0.00 0.00 175.10 175.09 3d1i h ASP 130 N 1.51 0.00 0.15 3.54 3.32 -1.87 -2.59 116.42 120.48 3d1i h ASP 130 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3d1i h ASP 130 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3d1i h ASP 130 CO 0.57 0.00 -0.08 -2.11 -1.72 0.00 0.00 179.24 175.91 3d1i n ARG 131 N -3.01 1.09 -0.12 3.56 1.85 -1.26 -1.46 116.66 117.30 3d1i n ARG 131 Ca -0.00 -0.47 -0.24 0.00 -1.00 0.00 0.00 57.85 56.14 3d1i n ARG 131 Cb 0.23 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 30.07 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 -0.54 1.12 -2.16 2.89 0.00 -0.97 -1.42 120.51 119.43 3d1i n ALA 132 Ca 0.17 -1.02 0.05 0.00 0.00 0.00 0.00 53.44 52.64 3d1i n ALA 132 Cb 0.28 0.11 0.09 0.00 0.00 0.00 0.00 19.45 19.94 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 -4.30 0.03 -1.84 0.00 4.02 -1.14 -1.05 117.16 112.88 3d1i n TYR 133 Ca -0.42 -0.91 -0.20 0.00 -0.01 0.00 0.00 57.90 56.36 3d1i n TYR 133 Cb 0.78 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.85 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 -0.14 1.10 2.37 2.72 0.00 0.69 -1.34 105.19 110.59 3d1i n GLY 134 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.56 0.47 0.25 -0.02 0.00 -1.26 0.64 105.19 104.70 3d1i n GLY 135 Ca -0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 1.08 0.48 -5.63 1.61 2.43 -1.49 -3.42 114.38 109.45 3d1i h ARG 136 Ca 0.00 -0.03 -0.66 0.00 -0.81 0.00 0.00 59.98 58.49 3d1i h ARG 136 Cb 0.16 -0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 29.49 3d1i h ARG 136 CO 0.00 0.32 -0.54 -0.06 -1.51 0.00 0.00 179.97 178.18 3d1i s PHE 137 N -6.08 3.39 0.04 2.20 0.08 -1.26 -0.35 117.98 116.01 3d1i s PHE 137 Ca -0.13 0.33 -0.04 0.00 0.12 0.00 0.00 56.93 57.20 3d1i s PHE 137 Cb 0.17 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 3d1i s PHE 137 CO 0.75 0.51 0.07 -0.65 -0.10 0.00 0.00 175.22 175.80 3d1i s GLN 138 N -0.58 0.56 0.55 0.44 -1.52 -0.83 -4.40 119.66 113.87 3d1i s GLN 138 Ca 0.11 -0.78 -0.21 0.00 -1.95 0.00 0.00 55.36 52.53 3d1i s GLN 138 Cb -0.12 0.22 -0.05 0.00 -0.22 0.00 0.00 33.01 32.84 3d1i s GLN 138 CO 0.02 -0.13 1.29 1.19 -0.25 0.00 0.00 175.29 177.41 3d1i n PHE 139 N 0.80 2.03 -0.20 0.91 3.72 -1.26 -0.36 117.46 123.10 3d1i n PHE 139 Ca -0.19 0.44 0.06 0.00 -0.05 0.00 0.00 57.45 57.71 3d1i n PHE 139 Cb 0.58 -2.32 0.34 0.00 -0.94 0.00 0.00 39.48 37.14 3d1i n PHE 139 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3d1i h LYS 140 N 1.25 0.76 -3.24 -1.08 1.57 -1.24 -3.43 116.57 111.15 3d1i h LYS 140 Ca -0.50 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.18 3d1i h LYS 140 Cb 1.32 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 3d1i h LYS 140 CO 0.56 0.51 0.16 0.54 -0.57 0.00 0.00 179.45 180.64 3d1i s ASN 141 N -6.18 0.10 0.00 0.86 2.20 -1.26 -4.98 114.94 105.68 3d1i s ASN 141 Ca -0.10 -1.09 0.20 0.00 -0.94 0.00 0.00 52.86 50.94 3d1i s ASN 141 Cb 0.19 0.78 0.91 0.00 -2.00 0.00 0.00 41.25 41.13 3d1i s ASN 141 CO 0.77 -1.52 1.65 0.79 -2.94 0.00 0.00 177.10 175.85 3d1i n TRP 142 N -0.51 0.00 0.13 1.54 7.02 -1.26 -2.27 117.44 122.09 3d1i n TRP 142 Ca -0.05 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.41 3d1i n TRP 142 Cb 0.60 -0.44 0.23 0.00 -2.42 0.00 0.00 31.31 29.28 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 0.10 0.00 -0.99 4.20 -1.98 -3.30 115.11 113.15 3d1i h GLN 143 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3d1i h GLN 143 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3d1i h GLN 143 CO 0.00 0.58 0.00 1.63 -0.67 0.00 0.00 178.83 180.37 3d1i n LYS 144 N -3.95 0.13 0.31 1.46 4.76 -0.96 -2.85 118.16 117.06 3d1i n LYS 144 Ca -0.02 0.38 0.19 0.00 -2.87 0.00 0.00 58.31 55.99 3d1i n LYS 144 Cb 0.52 -1.75 1.03 0.00 -1.84 0.00 0.00 35.03 33.00 3d1i n LYS 144 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 3d1i h VAL 145 N 0.00 0.19 0.00 -0.18 -1.51 -1.76 -1.19 116.25 111.80 3d1i h VAL 145 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 3d1i h VAL 145 Cb 0.31 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3d1i h VAL 145 CO 0.00 0.02 -0.12 0.35 -1.23 0.00 0.00 177.57 176.59 3d1i n THR 146 N -3.33 0.53 -3.08 7.19 -2.24 -1.13 -4.79 114.28 107.44 3d1i n THR 146 Ca -0.02 -0.27 -0.44 0.00 -2.27 0.00 0.00 64.05 61.04 3d1i n THR 146 Cb 0.12 -0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -4.42 7.11 0.08 3.42 2.15 -0.45 -4.80 116.67 119.76 3d1i s ASP 147 Ca 0.10 -3.11 -0.19 0.00 0.43 0.00 0.00 52.55 49.77 3d1i s ASP 147 Cb 0.13 -2.34 -0.09 0.00 -0.30 0.00 0.00 42.92 40.32 3d1i s ASP 147 CO 0.62 -0.62 1.52 1.23 -0.17 0.00 0.00 175.17 177.74 3d1i h GLY 148 N 8.76 0.42 0.89 2.66 0.00 -1.86 -1.00 103.07 112.95 3d1i h GLY 148 Ca 0.26 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.31 3d1i h GLY 148 CO 1.15 0.28 0.36 1.98 0.00 0.00 0.00 176.54 180.31 3d1i h MET 149 N 0.16 0.69 -0.34 4.80 1.85 -1.87 -0.33 114.93 119.89 3d1i h MET 149 Ca 0.06 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.15 3d1i h MET 149 Cb 0.39 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 32.23 3d1i h MET 149 CO 0.01 0.46 0.12 0.78 -0.40 0.00 0.00 176.91 177.87 3d1i h GLY 150 N 0.71 0.42 0.93 1.39 0.00 -1.91 0.57 103.07 105.17 3d1i h GLY 150 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.51 3d1i h GLY 150 CO -0.09 0.03 0.49 0.00 0.00 0.00 0.00 176.54 176.96 3d1i h ALA 151 N 1.22 0.97 -0.43 3.60 0.00 -0.66 -0.91 119.26 123.06 3d1i h ALA 151 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3d1i h ALA 151 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3d1i h ALA 151 CO -0.16 0.31 0.12 0.28 0.00 0.00 0.00 179.25 179.81 3d1i h VAL 152 N 0.97 1.22 -0.79 0.00 2.07 -0.58 -2.13 116.25 117.01 3d1i h VAL 152 Ca 0.29 -0.75 0.10 0.00 0.82 0.00 0.00 66.70 67.16 3d1i h VAL 152 Cb -0.04 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3d1i h VAL 152 CO -0.09 0.27 0.52 -0.09 0.02 0.00 0.00 177.57 178.19 3d1i h ARG 153 N 0.55 0.68 0.00 1.57 2.43 -0.43 -3.43 114.38 115.75 3d1i h ARG 153 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3d1i h ARG 153 Cb 0.28 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3d1i h ARG 153 CO -0.00 0.45 0.00 0.41 -1.51 0.00 0.00 179.97 179.32 3d1i n GLY 154 N -1.45 3.30 0.34 2.80 0.00 -0.39 -4.90 105.19 104.89 3d1i n GLY 154 Ca 0.14 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 1.38 0.00 4.61 0.00 -0.70 -1.47 119.26 123.08 3d1i h ALA 155 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d1i h ALA 155 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3d1i h ALA 155 CO 0.00 0.18 0.00 0.91 0.00 0.00 0.00 179.25 180.34 3d1i n TRP 156 N -4.67 0.00 0.26 0.00 7.02 -1.26 -1.79 117.44 117.01 3d1i n TRP 156 Ca 0.17 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.78 3d1i n TRP 156 Cb 0.32 -0.20 0.31 0.00 -2.42 0.00 0.00 31.31 29.32 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 0.00 0.00 0.00 -0.99 1.35 -1.57 -3.36 112.91 108.34 3d1i h THR 157 Ca 0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3d1i h THR 157 Cb 0.20 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3d1i h THR 157 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 3d1i n VAL 158 N -3.02 0.00 -4.31 6.82 0.24 -0.75 -5.02 118.33 112.29 3d1i n VAL 158 Ca 0.03 -0.47 -0.23 0.00 -2.04 0.00 0.00 64.34 61.63 3d1i n VAL 158 Cb 0.46 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.78 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 -1.08 3.11 0.28 1.34 1.43 -0.74 -0.78 118.68 122.25 3d1i s LEU 159 Ca 0.00 -0.68 0.11 0.00 -1.03 0.00 0.00 54.13 52.53 3d1i s LEU 159 Cb 0.00 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 3d1i s LEU 159 CO 0.00 0.01 -0.18 0.42 0.23 0.00 0.00 176.35 176.83 3d1i s THR 160 N -2.31 2.39 -0.17 5.49 -4.23 0.51 -4.73 115.64 112.59 3d1i s THR 160 Ca 0.31 -2.37 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 3d1i s THR 160 Cb -0.06 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.46 3d1i s THR 160 CO 0.19 -0.39 -0.16 -0.62 -0.54 0.00 0.00 174.62 173.10 3d1i s ASP 161 N -3.51 3.46 0.58 3.99 -1.08 -1.26 -1.97 116.67 116.87 3d1i s ASP 161 Ca 0.30 -0.55 0.29 0.00 -0.52 0.00 0.00 52.55 52.07 3d1i s ASP 161 Cb -0.04 -1.54 1.77 0.00 -1.46 0.00 0.00 42.92 41.65 3d1i s ASP 161 CO 0.15 0.03 2.23 0.00 0.52 0.00 0.00 175.17 178.10 3d1i h ALA 162 N 7.70 1.50 -1.56 3.66 0.00 -1.01 -3.36 119.26 126.19 3d1i h ALA 162 Ca -0.40 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.21 3d1i h ALA 162 Cb 1.16 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.70 3d1i h ALA 162 CO 0.60 0.02 -0.64 0.34 0.00 0.00 0.00 179.25 179.57 3d1i s ASP 163 N -6.17 -0.10 0.50 0.00 2.15 -1.26 -4.98 116.67 106.81 3d1i s ASP 163 Ca -0.05 -1.78 0.33 0.00 0.43 0.00 0.00 52.55 51.48 3d1i s ASP 163 Cb 0.15 1.04 1.77 0.00 -0.30 0.00 0.00 42.92 45.58 3d1i s ASP 163 CO 0.55 -0.16 1.99 -0.65 -0.17 0.00 0.00 175.17 176.74 3d1i h PRO 164 N 6.12 0.00 -0.01 4.34 0.11 -2.00 -2.60 132.00 137.97 3d1i h PRO 164 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3d1i h PRO 164 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3d1i h PRO 164 CO 0.15 0.00 -0.13 0.39 -0.21 0.00 0.00 178.00 178.21 3d1i n GLU 165 N -2.67 0.89 -4.21 1.05 -0.58 -1.26 -4.83 120.64 109.03 3d1i n GLU 165 Ca -0.02 -0.39 -0.18 0.00 -0.42 0.00 0.00 57.16 56.14 3d1i n GLU 165 Cb 0.08 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.35 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 -2.38 1.87 -0.00 1.62 1.04 -0.98 -5.05 113.70 109.81 3d1i s SER 166 Ca 0.30 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3d1i s SER 166 Cb 0.20 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3d1i s SER 166 CO 0.46 -0.10 0.99 -1.54 0.98 0.00 0.00 173.24 174.02 3d1i n SER 167 N 0.91 1.94 -4.83 7.02 3.41 -1.26 -4.91 113.62 115.89 3d1i n SER 167 Ca -0.18 -1.98 -0.33 0.00 -0.26 0.00 0.00 58.87 56.12 3d1i n SER 167 Cb 0.55 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.98 6.88 -0.17 4.04 -4.77 -1.26 -4.34 116.67 116.06 3d1i s ASP 168 Ca 0.00 1.40 -0.29 0.00 -3.30 0.00 0.00 52.55 50.36 3d1i s ASP 168 Cb 0.00 -2.42 -0.02 0.00 -1.09 0.00 0.00 42.92 39.39 3d1i s ASP 168 CO 0.00 -0.18 1.38 -1.10 0.70 0.00 0.00 175.17 175.97 3d1i s GLN 169 N -2.79 4.13 0.20 2.11 -1.52 -1.26 -4.97 119.66 115.55 3d1i s GLN 169 Ca 0.53 1.70 -0.12 0.00 -1.95 0.00 0.00 55.36 55.52 3d1i s GLN 169 Cb -0.12 -3.85 0.00 0.00 -0.22 0.00 0.00 33.01 28.82 3d1i s GLN 169 CO 0.18 -0.85 0.41 -0.98 -0.25 0.00 0.00 175.29 173.79 3d1i s ARG 170 N 3.82 1.34 -0.20 2.91 1.70 -1.26 -5.06 118.95 122.20 3d1i s ARG 170 Ca 0.60 -1.12 -0.29 0.00 -0.47 0.00 0.00 55.73 54.45 3d1i s ARG 170 Cb -0.23 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 3d1i s ARG 170 CO 0.20 -0.53 1.04 1.03 -1.08 0.00 0.00 175.30 175.95 3d1i s ARG 171 N -3.96 4.30 -0.00 3.89 0.52 -1.26 -4.06 118.95 118.37 3d1i s ARG 171 Ca 0.17 1.38 0.20 0.00 -0.52 0.00 0.00 55.73 56.95 3d1i s ARG 171 Cb 0.01 -3.62 -0.21 0.00 0.52 0.00 0.00 34.95 31.65 3d1i s ARG 171 CO 0.02 -0.55 0.59 1.19 0.02 0.00 0.00 175.30 176.56 3d1i n PHE 172 N 5.99 0.45 -4.67 -0.53 3.01 0.21 -4.93 117.46 116.99 3d1i n PHE 172 Ca 0.11 0.14 -0.27 0.00 1.01 0.00 0.00 57.45 58.45 3d1i n PHE 172 Cb 0.47 -0.85 -0.14 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 -5.23 2.19 0.16 4.37 1.43 -1.10 -5.03 118.68 115.47 3d1i s LEU 173 Ca -0.06 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.33 3d1i s LEU 173 Cb 0.10 -1.06 0.04 0.00 0.03 0.00 0.00 46.19 45.30 3d1i s LEU 173 CO 0.85 0.18 1.74 0.77 0.23 0.00 0.00 176.35 180.12 3d1i h SER 174 N 4.73 0.64 -2.39 2.29 4.64 -1.91 -3.20 113.55 118.35 3d1i h SER 174 Ca -0.44 -0.12 -0.77 0.00 -0.47 0.00 0.00 61.79 59.98 3d1i h SER 174 Cb 1.16 -0.16 -0.30 0.00 -0.31 0.00 0.00 62.40 62.79 3d1i h SER 174 CO 0.43 0.58 0.71 0.00 -0.87 0.00 0.00 176.83 177.68 3d1i n GLN 175 N -4.63 4.87 -4.43 4.77 1.13 -1.26 -4.91 117.38 112.92 3d1i n GLN 175 Ca 0.02 -4.67 -0.21 0.00 -1.94 0.00 0.00 57.00 50.19 3d1i n GLN 175 Cb 0.11 -2.44 -0.10 0.00 0.11 0.00 0.00 30.24 27.92 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 -3.97 0.94 0.30 5.09 -4.23 -1.21 -4.91 115.64 107.64 3d1i s THR 176 Ca 0.39 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3d1i s THR 176 Cb 0.17 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 3d1i s THR 176 CO -0.08 0.00 0.11 0.00 -0.54 0.00 0.00 174.62 174.11 3d1i s ALA 177 N -3.39 2.02 -0.44 3.99 0.00 -0.53 -4.90 121.76 118.51 3d1i s ALA 177 Ca 0.35 -1.80 0.08 0.00 0.00 0.00 0.00 51.96 50.58 3d1i s ALA 177 Cb 0.07 0.98 0.41 0.00 0.00 0.00 0.00 23.12 24.58 3d1i s ALA 177 CO 0.15 -0.43 1.03 0.25 0.00 0.00 0.00 175.76 176.76 3d1i n THR 178 N -0.58 2.13 0.25 0.00 -2.24 -1.22 -0.22 114.28 112.39 3d1i n THR 178 Ca -0.01 -4.71 0.14 0.00 -2.27 0.00 0.00 64.05 57.20 3d1i n THR 178 Cb 0.66 -0.91 0.46 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.99 -3.01 6.98 0.00 -0.91 -3.46 119.26 122.60 3d1i h ALA 179 Ca 0.19 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.53 3d1i h ALA 179 Cb 0.89 -0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.81 3d1i h ALA 179 CO 0.77 0.04 0.59 0.00 0.00 0.00 0.00 179.25 180.64 3d1i s ALA 180 N -3.48 2.78 0.21 0.00 0.00 -0.22 -5.00 121.76 116.06 3d1i s ALA 180 Ca 0.03 1.29 -0.13 0.00 0.00 0.00 0.00 51.96 53.15 3d1i s ALA 180 Cb 0.08 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3d1i s ALA 180 CO 0.60 -1.34 0.44 0.54 0.00 0.00 0.00 175.76 176.00 3d1i s ASN 181 N -1.04 -0.11 0.52 0.00 2.20 -1.26 -4.91 114.94 110.34 3d1i s ASN 181 Ca 0.72 -0.79 0.21 0.00 -0.94 0.00 0.00 52.86 52.07 3d1i s ASN 181 Cb -0.39 0.55 1.33 0.00 -2.00 0.00 0.00 41.25 40.73 3d1i s ASN 181 CO 0.46 -1.06 2.05 -0.65 -2.94 0.00 0.00 177.10 174.96 3d1i h PRO 182 N 2.31 0.03 -0.56 3.55 0.11 -1.84 -2.34 132.00 133.25 3d1i h PRO 182 Ca -0.28 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 3d1i h PRO 182 Cb 1.25 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3d1i h PRO 182 CO 0.39 0.02 0.12 0.28 -0.21 0.00 0.00 178.00 178.60 3d1i h VAL 183 N 0.03 1.23 -0.93 3.15 2.07 -1.88 -2.55 116.25 117.38 3d1i h VAL 183 Ca 0.17 -0.86 0.21 0.00 0.82 0.00 0.00 66.70 67.03 3d1i h VAL 183 Cb 0.63 0.67 -0.12 0.00 -1.52 0.00 0.00 31.29 30.96 3d1i h VAL 183 CO -0.01 0.32 0.49 0.00 0.02 0.00 0.00 177.57 178.39 3d1i h LEU 185 N 0.55 0.00 -1.43 0.00 -0.00 -1.59 -2.36 115.31 110.48 3d1i h LEU 185 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.45 3d1i h LEU 185 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 3d1i h LEU 185 CO -0.46 0.03 0.00 0.78 -0.00 0.00 0.00 178.44 178.79 3d1i h ASN 186 N 0.00 0.00 -0.42 -0.43 2.35 -1.48 -0.42 115.58 115.18 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 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 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 0.37 3.46 -3.45 0.00 4.76 -0.28 -4.97 118.16 118.06 3d1i n LYS 188 Ca 0.20 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.52 3d1i n LYS 188 Cb 0.75 -0.93 -0.03 0.00 -1.84 0.00 0.00 35.03 32.98 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 -1.87 0.00 -0.11 -0.18 -1.32 -0.53 -2.43 115.64 109.20 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 0.35 0.00 -1.51 0.00 0.00 72.50 70.34 3d1i s THR 189 CO 0.00 0.00 1.17 0.00 -2.21 0.00 0.00 174.62 173.58 3d1i n GLN 190 N -0.19 0.92 -0.11 7.08 1.13 -1.26 -4.27 117.38 120.68 3d1i n GLN 190 Ca -0.16 -2.56 0.26 0.00 -1.94 0.00 0.00 57.00 52.59 3d1i n GLN 190 Cb 0.63 -1.03 0.71 0.00 0.11 0.00 0.00 30.24 30.67 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 0.71 0.00 -0.33 1.08 5.19 -1.92 -1.27 116.42 119.88 3d1i h ASP 191 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3d1i h ASP 191 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3d1i h ASP 191 CO 0.03 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 3d1i n HIS 192 N -4.26 0.44 0.13 4.55 1.44 -1.26 -4.56 115.22 111.69 3d1i n HIS 192 Ca 0.15 -0.22 0.18 0.00 -2.01 0.00 0.00 57.72 55.82 3d1i n HIS 192 Cb 0.84 0.00 0.76 0.00 0.12 0.00 0.00 29.99 31.70 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 1.92 0.56 -0.22 0.61 2.10 -1.58 0.27 117.51 121.18 3d1i h ILE 193 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3d1i h ILE 193 Cb 0.44 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 3d1i h ILE 193 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 3d1i n LEU 194 N -4.00 3.05 0.00 2.19 4.77 -1.26 -4.35 117.00 117.40 3d1i n LEU 194 Ca 0.05 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 3d1i n LEU 194 Cb 0.45 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3d1i n LEU 194 CO 0.31 0.60 0.46 0.47 -1.33 0.00 0.00 177.39 177.89 3d1i n ASP 195 N 1.28 1.66 -3.77 -1.43 8.00 0.91 -4.92 116.55 118.29 3d1i n ASP 195 Ca 0.17 -1.83 -0.22 0.00 0.71 0.00 0.00 54.79 53.62 3d1i n ASP 195 Cb 0.57 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.54 0.54 1.24 -0.11 -0.95 -1.47 118.94 117.90 3d1i s TRP 196 Ca 0.00 -0.09 -0.17 0.00 1.22 0.00 0.00 56.10 57.06 3d1i s TRP 196 Cb 0.00 -0.70 -0.06 0.00 -1.50 0.00 0.00 33.47 31.20 3d1i s TRP 196 CO 0.00 -0.28 1.02 0.00 -4.62 0.00 0.00 176.95 173.07 3d1i s ALA 197 N 1.85 2.90 -0.19 5.86 0.00 -1.26 -4.76 121.76 126.16 3d1i s ALA 197 Ca 0.03 0.35 -0.41 0.00 0.00 0.00 0.00 51.96 51.92 3d1i s ALA 197 Cb -0.12 -3.19 -0.18 0.00 0.00 0.00 0.00 23.12 19.62 3d1i s ALA 197 CO -0.04 -0.45 1.41 0.98 0.00 0.00 0.00 175.76 177.66 3d1i n TYR 198 N -1.60 1.42 -0.56 0.00 9.36 0.52 0.16 117.16 126.46 3d1i n TYR 198 Ca 0.08 0.90 0.00 0.00 3.32 0.00 0.00 57.90 62.20 3d1i n TYR 198 Cb 0.53 -2.25 0.00 0.00 -0.63 0.00 0.00 39.34 36.99 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 3.21 0.00 -1.00 2.98 2.81 -1.26 -3.13 117.12 120.74 3d1i n MET 199 Ca 0.24 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 3d1i n MET 199 Cb 0.07 -3.00 0.00 0.00 -0.71 0.00 0.00 33.22 29.58 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 0.42 3.73 3.03 0.00 0.12 -4.81 105.19 105.68 3d1i n GLY 200 Ca 0.00 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 3d1i n GLY 200 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d1i s ASP 201 N -2.68 4.38 0.37 1.61 1.11 -1.18 -1.04 116.67 119.24 3d1i s ASP 201 Ca 0.00 2.48 -0.28 0.00 0.18 0.00 0.00 52.55 54.93 3d1i s ASP 201 Cb 0.00 -2.60 -0.11 0.00 1.07 0.00 0.00 42.92 41.28 3d1i s ASP 201 CO 0.00 -2.15 1.50 -1.61 1.18 0.00 0.00 175.17 174.09 3d1i s GLU 202 N -3.66 4.10 -0.26 8.23 0.41 -1.26 -4.54 118.70 121.72 3d1i s GLU 202 Ca 0.78 2.58 -0.20 0.00 -0.41 0.00 0.00 54.97 57.72 3d1i s GLU 202 Cb -0.33 -2.97 0.07 0.00 -1.78 0.00 0.00 34.13 29.12 3d1i s GLU 202 CO 0.42 -0.55 0.67 -1.58 -0.49 0.00 0.00 175.26 173.74 3d1i s HIS 203 N -1.07 -0.86 0.55 1.61 2.46 -1.26 -5.03 115.29 111.70 3d1i s HIS 203 Ca 0.53 1.91 0.26 0.00 0.47 0.00 0.00 55.06 58.23 3d1i s HIS 203 Cb -0.47 0.40 1.64 0.00 -0.13 0.00 0.00 32.58 34.02 3d1i s HIS 203 CO 0.63 -0.42 2.21 1.05 -2.47 0.00 0.00 174.74 175.73 3d1i h GLU 204 N 5.88 0.00 -0.01 2.88 9.09 -1.99 -1.75 114.58 128.68 3d1i h GLU 204 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.11 3d1i h GLU 204 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 3d1i h GLU 204 CO 0.12 0.02 -0.24 0.00 0.05 0.00 0.00 179.01 178.96 3d1i n ALA 205 N -2.37 3.04 -2.75 1.06 0.00 -1.26 -4.85 120.51 113.37 3d1i n ALA 205 Ca -0.03 -0.37 -0.36 0.00 0.00 0.00 0.00 53.44 52.68 3d1i n ALA 205 Cb 0.10 -1.18 -0.10 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.54 3.48 0.26 0.00 0.00 -0.66 -4.87 121.76 117.43 3d1i s ALA 206 Ca 0.24 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3d1i s ALA 206 Cb 0.19 -2.21 0.35 0.00 0.00 0.00 0.00 23.12 21.46 3d1i s ALA 206 CO 0.52 -0.20 1.67 -0.22 0.00 0.00 0.00 175.76 177.53 3d1i h LYS 207 N 7.55 0.43 -6.48 0.00 3.64 -1.75 -3.45 116.57 116.52 3d1i h LYS 207 Ca -0.37 -0.20 -0.62 0.00 -1.27 0.00 0.00 60.65 58.19 3d1i h LYS 207 Cb 1.17 -0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 32.77 3d1i h LYS 207 CO 0.64 0.73 -0.84 -1.58 -2.27 0.00 0.00 179.45 176.13 3d1i s TRP 208 N -4.30 2.04 0.39 1.91 0.52 -0.54 -5.02 118.94 113.94 3d1i s TRP 208 Ca -0.06 -0.40 -0.11 0.00 0.02 0.00 0.00 56.10 55.55 3d1i s TRP 208 Cb 0.13 -1.09 0.04 0.00 -1.15 0.00 0.00 33.47 31.40 3d1i s TRP 208 CO 0.80 0.29 0.71 -1.13 0.02 0.00 0.00 176.95 177.64 3d1i n SER 209 N 0.90 -2.05 0.16 2.95 3.41 -1.26 -4.20 113.62 113.52 3d1i n SER 209 Ca -0.18 -2.71 0.15 0.00 -0.26 0.00 0.00 58.87 55.87 3d1i n SER 209 Cb 0.54 3.49 0.72 0.00 -0.26 0.00 0.00 64.21 68.70 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 -0.42 4.33 3.08 -1.39 -2.34 114.38 117.64 3d1i h ARG 210 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3d1i h ARG 210 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3d1i h ARG 210 CO 0.41 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.56 3d1i n THR 211 N -4.26 0.55 -1.01 2.04 -2.24 -1.26 -4.46 114.28 103.63 3d1i n THR 211 Ca 0.02 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.84 3d1i n THR 211 Cb 0.32 0.59 0.14 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.30 3.40 -0.44 3.42 0.01 -0.88 -4.93 113.70 112.97 3d1i s SER 212 Ca 0.37 1.80 -0.28 0.00 1.31 0.00 0.00 55.95 59.15 3d1i s SER 212 Cb 0.20 -2.41 0.01 0.00 0.21 0.00 0.00 66.02 64.03 3d1i s SER 212 CO 0.28 -2.73 1.46 -1.61 0.41 0.00 0.00 173.24 171.05 3d1i s GLU 213 N -4.80 3.46 0.49 12.44 0.41 -1.26 -4.72 118.70 124.73 3d1i s GLU 213 Ca 0.64 0.87 0.16 0.00 -0.41 0.00 0.00 54.97 56.23 3d1i s GLU 213 Cb -0.20 -4.07 1.18 0.00 -1.78 0.00 0.00 34.13 29.26 3d1i s GLU 213 CO 0.58 -1.71 2.08 -0.24 -0.49 0.00 0.00 175.26 175.48 3d1i h VAL 214 N 6.50 1.03 -0.51 2.63 3.04 -1.91 -1.93 116.25 125.09 3d1i h VAL 214 Ca -0.28 -0.29 -0.09 0.00 -1.01 0.00 0.00 66.70 65.04 3d1i h VAL 214 Cb 1.11 1.16 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 3d1i h VAL 214 CO 1.10 0.08 -0.01 0.58 -1.01 0.00 0.00 177.57 178.31 3d1i h VAL 215 N 0.00 1.26 -0.47 1.51 2.07 -1.91 0.49 116.25 119.20 3d1i h VAL 215 Ca -0.00 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 3d1i h VAL 215 Cb 0.15 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3d1i h VAL 215 CO 0.01 0.39 0.21 -0.33 0.02 0.00 0.00 177.57 177.87 3d1i h GLU 216 N 0.78 0.69 0.06 1.57 4.39 -1.60 -2.80 114.58 117.69 3d1i h GLU 216 Ca 0.14 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3d1i h GLU 216 Cb 0.54 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3d1i h GLU 216 CO 0.03 0.61 -0.08 0.35 -1.16 0.00 0.00 179.01 178.76 3d1i h PHE 217 N 0.62 -0.20 -0.81 4.33 3.57 -1.14 -2.95 116.94 120.37 3d1i h PHE 217 Ca 0.16 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.85 3d1i h PHE 217 Cb 0.15 0.08 -0.12 0.00 2.79 0.00 0.00 35.95 38.85 3d1i h PHE 217 CO -0.00 -0.12 0.22 0.00 -2.23 0.00 0.00 178.31 176.17 3d1i h ALA 218 N 0.76 1.11 0.00 2.41 0.00 -0.84 -0.07 119.26 122.64 3d1i h ALA 218 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3d1i h ALA 218 Cb 0.17 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3d1i h ALA 218 CO -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.84 3d1i h ARG 219 N 0.27 0.00 -0.01 0.00 3.08 -1.31 -1.79 114.38 114.62 3d1i h ARG 219 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 3d1i h ARG 219 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3d1i h ARG 219 CO -0.56 0.00 -0.28 -0.25 -1.07 0.00 0.00 179.97 177.81 3d1i n ASP 220 N -2.46 1.03 -4.50 7.04 9.92 -0.04 -4.93 116.55 122.61 3d1i n ASP 220 Ca 0.00 -0.88 -0.32 0.00 -0.53 0.00 0.00 54.79 53.06 3d1i n ASP 220 Cb 0.16 0.15 -0.12 0.00 -0.64 0.00 0.00 41.12 40.67 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 -2.53 2.79 0.00 0.64 1.43 -0.68 -4.95 118.68 115.39 3d1i s LEU 221 Ca 0.23 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3d1i s LEU 221 Cb 0.19 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.81 3d1i s LEU 221 CO 0.53 0.31 0.00 0.59 0.23 0.00 0.00 176.35 178.02 3d1i n ASN 222 N 2.00 0.64 -4.62 2.29 4.13 -1.26 -4.67 115.26 113.76 3d1i n ASN 222 Ca -0.17 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.76 3d1i n ASN 222 Cb 0.52 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.66 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 -1.70 2.97 0.41 3.10 3.76 -1.26 -0.37 115.29 122.19 3d1i s HIS 223 Ca 0.00 0.03 -0.12 0.00 -0.15 0.00 0.00 55.06 54.82 3d1i s HIS 223 Cb 0.00 -1.67 -0.07 0.00 1.11 0.00 0.00 32.58 31.95 3d1i s HIS 223 CO 0.00 0.39 0.80 -1.25 -0.85 0.00 0.00 174.74 173.84 3d1i s PRO 224 N -1.24 3.85 -0.48 8.40 0.04 -1.26 -4.40 135.00 139.90 3d1i s PRO 224 Ca 0.16 0.59 -0.02 0.00 0.04 0.00 0.00 61.00 61.77 3d1i s PRO 224 Cb -0.11 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.08 3d1i s PRO 224 CO 0.06 -0.05 0.34 -0.11 0.04 0.00 0.00 177.00 177.28 3d1i n LEU 225 N -1.20 -0.91 -4.72 -3.56 7.94 -1.02 -4.76 117.00 108.77 3d1i n LEU 225 Ca 0.03 -0.57 -0.40 0.00 -1.11 0.00 0.00 56.01 53.97 3d1i n LEU 225 Cb 0.54 -0.89 0.03 0.00 0.53 0.00 0.00 43.42 43.63 3d1i n LEU 225 CO 0.46 0.25 0.93 0.59 -1.11 0.00 0.00 177.39 178.52 3d1i n ASN 226 N -1.21 2.61 0.08 1.96 4.13 -1.26 -4.83 115.26 116.74 3d1i n ASN 226 Ca -0.17 1.04 0.12 0.00 1.68 0.00 0.00 54.58 57.25 3d1i n ASN 226 Cb 0.38 -1.54 0.60 0.00 -1.54 0.00 0.00 39.78 37.68 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 -4.47 0.00 0.26 0.00 1.16 -1.26 -3.16 117.46 109.99 3d1i n PHE 228 Ca 0.04 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.76 3d1i n PHE 228 Cb 0.30 0.00 0.72 0.00 -1.61 0.00 0.00 39.48 38.88 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 -1.45 -3.23 114.93 117.07 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 -0.19 0.00 1.06 0.00 0.00 176.91 177.89 3d1i s HIS 231 N -1.32 1.06 0.14 0.00 3.76 -1.22 -1.61 115.29 116.10 3d1i s HIS 231 Ca 0.01 -0.46 -0.31 0.00 -0.15 0.00 0.00 55.06 54.15 3d1i s HIS 231 Cb 0.02 -1.01 -0.10 0.00 1.11 0.00 0.00 32.58 32.60 3d1i s HIS 231 CO 0.11 -0.42 1.68 0.34 -0.85 0.00 0.00 174.74 175.59 3d1i s ASP 232 N 1.85 6.52 0.52 1.40 2.15 0.23 -4.30 116.67 125.04 3d1i s ASP 232 Ca 0.05 2.66 0.30 0.00 0.43 0.00 0.00 52.55 55.99 3d1i s ASP 232 Cb -0.13 -2.58 1.30 0.00 -0.30 0.00 0.00 42.92 41.21 3d1i s ASP 232 CO -0.07 -0.91 1.97 1.55 -0.17 0.00 0.00 175.17 177.55 3d1i h PRO 233 N 7.58 0.00 0.01 4.34 0.13 -1.90 0.14 132.00 142.30 3d1i h PRO 233 Ca -0.43 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 3d1i h PRO 233 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3d1i h PRO 233 CO 0.93 0.09 -0.97 0.45 -0.23 0.00 0.00 178.00 178.28 3d1i h HIS 234 N 0.00 0.04 0.00 1.56 3.86 -1.94 -3.38 115.15 115.28 3d1i h HIS 234 Ca -0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3d1i h HIS 234 Cb 0.53 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3d1i h HIS 234 CO 0.00 1.38 -0.92 0.66 0.86 0.00 0.00 177.93 179.91 3d1i h SER 235 N -0.94 0.00 0.00 2.45 4.64 -1.71 -3.35 113.55 114.64 3d1i h SER 235 Ca -0.26 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3d1i h SER 235 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3d1i h SER 235 CO -0.14 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.85 3d1i n ALA 236 N -2.10 0.00 -2.00 5.18 0.00 0.49 -2.63 120.51 119.46 3d1i n ALA 236 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3d1i n ALA 236 Cb 0.53 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.12 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 1.63 0.35 0.00 0.00 -1.25 -4.56 107.32 101.48 3d1i s GLY 237 Ca 0.00 -0.67 -0.27 0.00 0.00 0.00 0.00 44.72 43.79 3d1i s GLY 237 CO 0.00 -0.33 1.11 2.56 0.00 0.00 0.00 173.10 176.45 3d1i s PRO 238 N -5.16 4.32 0.31 2.90 0.04 -1.26 -0.60 135.00 135.55 3d1i s PRO 238 Ca 0.57 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 3d1i s PRO 238 Cb -0.11 -2.85 0.03 0.00 0.04 0.00 0.00 34.50 31.61 3d1i s PRO 238 CO 0.47 -0.06 0.69 -0.98 0.04 0.00 0.00 177.00 177.15 3d1i s ARG 239 N -2.01 1.90 0.23 4.56 1.70 -0.63 -1.15 118.95 123.53 3d1i s ARG 239 Ca 0.52 -1.21 0.11 0.00 -0.47 0.00 0.00 55.73 54.68 3d1i s ARG 239 Cb -0.29 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 3d1i s ARG 239 CO 0.37 -0.86 -0.20 0.14 -1.08 0.00 0.00 175.30 173.67 3d1i s VAL 240 N -3.39 2.24 -0.01 4.99 -7.23 0.33 -4.12 120.40 113.21 3d1i s VAL 240 Ca 0.15 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 3d1i s VAL 240 Cb -0.05 -2.14 -0.00 0.00 0.56 0.00 0.00 36.38 34.75 3d1i s VAL 240 CO 0.09 -0.33 0.01 1.33 -0.31 0.00 0.00 175.10 175.90 3d1i n VAL 241 N -0.18 0.00 -2.37 1.32 0.24 -1.24 -0.57 118.33 115.52 3d1i n VAL 241 Ca -0.09 -0.44 -0.43 0.00 -2.04 0.00 0.00 64.34 61.35 3d1i n VAL 241 Cb 0.58 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.87 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 -1.14 4.14 0.19 7.34 6.06 -1.26 -4.81 118.95 129.47 3d1i s ARG 242 Ca 0.00 1.62 -0.12 0.00 -2.50 0.00 0.00 55.73 54.73 3d1i s ARG 242 Cb 0.00 -3.82 0.21 0.00 0.06 0.00 0.00 34.95 31.40 3d1i s ARG 242 CO 0.01 -0.83 1.72 0.38 -2.50 0.00 0.00 175.30 174.09 3d1i h ASP 243 N 8.66 0.05 -0.25 -2.12 3.04 -1.96 -2.20 116.42 121.64 3d1i h ASP 243 Ca -0.28 0.09 -0.01 0.00 -3.24 0.00 0.00 57.03 53.59 3d1i h ASP 243 Cb 1.11 0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 39.49 3d1i h ASP 243 CO 0.98 0.05 0.13 1.23 -2.04 0.00 0.00 179.24 179.59 3d1i h GLY 244 N 0.27 0.42 0.65 7.15 0.00 -1.90 0.54 103.07 110.19 3d1i h GLY 244 Ca 0.26 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 3d1i h GLY 244 CO -0.32 0.17 -0.17 -2.00 0.00 0.00 0.00 176.54 174.22 3d1i h LEU 245 N 0.40 0.30 -0.95 3.11 5.85 -1.76 -2.29 115.31 119.97 3d1i h LEU 245 Ca 0.10 -0.56 0.08 0.00 0.84 0.00 0.00 57.88 58.33 3d1i h LEU 245 Cb 0.06 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 3d1i h LEU 245 CO -0.01 0.81 0.60 0.40 -0.34 0.00 0.00 178.44 179.89 3d1i h ILE 246 N -0.19 1.03 -0.59 4.05 2.04 -1.03 -0.55 117.51 122.27 3d1i h ILE 246 Ca 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3d1i h ILE 246 Cb 0.76 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3d1i h ILE 246 CO 0.04 0.19 0.37 -1.13 0.00 0.00 0.00 178.15 177.62 3d1i h ASN 247 N 1.06 0.69 0.05 1.72 -0.73 -0.86 0.19 115.58 117.70 3d1i h ASN 247 Ca 0.43 -0.04 -0.00 0.00 1.87 0.00 0.00 56.30 58.55 3d1i h ASN 247 Cb 0.24 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.66 3d1i h ASN 247 CO -0.20 0.52 -0.03 0.00 -0.37 0.00 0.00 177.43 177.36 3d1i h ALA 248 N 1.20 -0.07 -0.16 1.57 0.00 -0.95 0.09 119.26 120.94 3d1i h ALA 248 Ca 0.21 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3d1i h ALA 248 Cb -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3d1i h ALA 248 CO -0.04 -0.32 -0.27 0.28 0.00 0.00 0.00 179.25 178.90 3d1i h VAL 249 N -0.52 1.36 0.00 0.00 2.07 -0.99 -2.85 116.25 115.31 3d1i h VAL 249 Ca -0.01 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.01 3d1i h VAL 249 Cb 0.46 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3d1i h VAL 249 CO 0.01 0.45 -0.87 0.52 0.02 0.00 0.00 177.57 177.70 3d1i n VAL 250 N -4.41 1.41 -0.13 2.57 0.31 0.64 -1.78 118.33 116.93 3d1i n VAL 250 Ca -0.06 0.18 -0.06 0.00 -0.01 0.00 0.00 64.34 64.38 3d1i n VAL 250 Cb 0.45 -2.25 0.02 0.00 -0.91 0.00 0.00 33.84 31.16 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 -0.87 0.36 -0.03 4.52 3.32 -1.24 -0.67 116.42 121.81 3d1i h ASP 251 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3d1i h ASP 251 Cb 0.87 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3d1i h ASP 251 CO 0.00 0.26 0.00 0.54 -1.72 0.00 0.00 179.24 178.32 3d1i n ARG 252 N -4.88 1.50 -1.77 3.56 1.74 -0.01 -4.95 116.66 111.85 3d1i n ARG 252 Ca 0.02 -0.73 -0.17 0.00 -0.77 0.00 0.00 57.85 56.20 3d1i n ARG 252 Cb 0.08 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.01 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 1.11 1.02 0.20 -0.13 0.00 -0.26 -4.86 105.19 102.28 3d1i n GLY 253 Ca 0.20 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.25 -3.48 115.31 114.95 3d1i h LEU 254 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3d1i h LEU 254 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3d1i h LEU 254 CO 0.50 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.76 3d1i n GLY 255 N 1.04 -0.67 0.17 0.83 0.00 -0.73 -3.89 105.19 101.94 3d1i n GLY 255 Ca 0.03 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.42 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 1.28 -3.07 2.61 1.35 -1.83 -3.35 112.91 109.89 3d1i h THR 256 Ca 0.00 -1.53 -0.62 0.00 -0.55 0.00 0.00 66.41 63.71 3d1i h THR 256 Cb 0.00 1.84 -0.40 0.00 -1.73 0.00 0.00 68.15 67.85 3d1i h THR 256 CO 0.00 0.43 -0.71 -0.31 -0.25 0.00 0.00 175.52 174.69 3d1i s TYR 257 N -3.97 2.38 0.56 4.73 1.51 -1.26 -4.98 117.35 116.32 3d1i s TYR 257 Ca -0.02 -2.69 0.36 0.00 -1.01 0.00 0.00 57.07 53.71 3d1i s TYR 257 Cb 0.14 -2.16 1.99 0.00 -0.11 0.00 0.00 41.96 41.82 3d1i s TYR 257 CO 0.73 -0.76 2.26 -1.35 -1.11 0.00 0.00 175.55 175.33 3d1i h PRO 258 N 6.53 0.00 -0.00 -1.71 0.11 -1.70 0.36 132.00 135.58 3d1i h PRO 258 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 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 0.55 0.02 -0.12 0.72 -0.21 0.00 0.00 178.00 178.96 3d1i n HIS 259 N -3.45 0.00 -3.43 0.65 8.25 -1.26 -4.69 115.22 111.29 3d1i n HIS 259 Ca -0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.20 3d1i n HIS 259 Cb 0.12 -0.34 -0.11 0.00 1.12 0.00 0.00 29.99 30.78 3d1i n HIS 259 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3d1i s ASP 260 N -2.79 2.28 0.47 0.41 -1.08 0.11 -5.00 116.67 111.07 3d1i s ASP 260 Ca 0.20 -1.53 0.15 0.00 -0.52 0.00 0.00 52.55 50.84 3d1i s ASP 260 Cb 0.19 0.08 1.10 0.00 -1.46 0.00 0.00 42.92 42.83 3d1i s ASP 260 CO 0.53 -0.34 2.06 1.55 0.52 0.00 0.00 175.17 179.49 3d1i h PRO 261 N 7.56 0.03 0.06 4.34 0.13 -1.84 -0.68 132.00 141.60 3d1i h PRO 261 Ca -0.03 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3d1i h PRO 261 Cb 1.02 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3d1i h PRO 261 CO 0.29 0.12 -0.03 0.28 -0.23 0.00 0.00 178.00 178.43 3d1i h VAL 262 N 0.03 1.20 -0.33 1.56 2.07 -1.94 -1.60 116.25 117.24 3d1i h VAL 262 Ca 0.01 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 3d1i h VAL 262 Cb 0.18 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3d1i h VAL 262 CO 0.01 0.24 -0.05 0.50 0.02 0.00 0.00 177.57 178.29 3d1i h LYS 263 N -0.53 0.53 -0.72 1.57 3.64 -1.88 -1.38 116.57 117.79 3d1i h LYS 263 Ca -0.01 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3d1i h LYS 263 Cb 0.46 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3d1i h LYS 263 CO 0.01 0.59 0.40 0.77 -2.27 0.00 0.00 179.45 178.95 3d1i h SER 264 N 0.50 0.89 -0.14 4.20 0.02 -1.04 0.15 113.55 118.14 3d1i h SER 264 Ca 0.10 -0.07 -0.22 0.00 -0.84 0.00 0.00 61.79 60.76 3d1i h SER 264 Cb 0.40 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.72 3d1i h SER 264 CO 0.02 0.72 -0.76 -0.08 -1.14 0.00 0.00 176.83 175.58 3d1i h GLU 265 N 1.01 0.78 -0.04 3.45 4.22 -0.26 -2.89 114.58 120.85 3d1i h GLU 265 Ca 0.26 -0.63 -0.16 0.00 0.08 0.00 0.00 59.36 58.90 3d1i h GLU 265 Cb 0.02 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3d1i h GLU 265 CO -0.04 1.24 -0.70 1.96 -2.18 0.00 0.00 179.01 179.29 3d1i h GLN 266 N 0.54 0.21 -2.22 1.92 4.20 -1.12 -3.34 115.11 115.30 3d1i h GLN 266 Ca -0.05 -0.17 -0.57 0.00 0.06 0.00 0.00 58.65 57.92 3d1i h GLN 266 Cb 1.39 0.04 -0.42 0.00 0.30 0.00 0.00 27.48 28.79 3d1i h GLN 266 CO 0.16 0.82 -0.73 1.04 -0.67 0.00 0.00 178.83 179.45 3d1i n GLN 267 N -3.79 2.73 -2.40 1.46 6.02 0.52 -4.72 117.38 117.20 3d1i n GLN 267 Ca -0.03 -4.57 -0.17 0.00 -0.01 0.00 0.00 57.00 52.22 3d1i n GLN 267 Cb 0.68 -2.13 0.07 0.00 1.02 0.00 0.00 30.24 29.88 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 0.04 1.35 3.03 1.08 0.00 -1.09 -4.72 105.19 104.88 3d1i n GLY 268 Ca 0.30 -2.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.01 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 -4.34 0.81 -0.22 1.61 1.75 -1.26 -1.28 119.30 116.37 3d1i s MET 269 Ca 0.51 -0.34 -0.01 0.00 -1.25 0.00 0.00 55.69 54.60 3d1i s MET 269 Cb -0.03 -0.78 0.02 0.00 2.84 0.00 0.00 34.83 36.87 3d1i s MET 269 CO 0.33 0.19 -0.10 0.99 -0.65 0.00 0.00 175.02 175.78 3d1i s THR 270 N -0.15 2.69 -0.06 10.11 2.01 0.29 -4.92 115.64 125.61 3d1i s THR 270 Ca 0.02 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 3d1i s THR 270 Cb -0.05 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 3d1i s THR 270 CO -0.00 0.33 1.27 -0.75 -0.69 0.00 0.00 174.62 174.77 3d1i s LYS 271 N 1.33 4.32 -0.15 4.92 2.20 -1.26 -0.46 119.74 130.63 3d1i s LYS 271 Ca 0.02 1.75 -0.00 0.00 -0.36 0.00 0.00 55.97 57.38 3d1i s LYS 271 Cb -0.15 -3.59 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 3d1i s LYS 271 CO -0.07 -0.52 -0.14 0.08 -0.36 0.00 0.00 175.35 174.34 3d1i s VAL 272 N 2.45 2.84 -0.08 4.02 1.01 0.30 -4.98 120.40 125.97 3d1i s VAL 272 Ca 0.58 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3d1i s VAL 272 Cb -0.26 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3d1i s VAL 272 CO 0.22 0.51 -0.08 -0.89 0.00 0.00 0.00 175.10 174.86 3d1i s THR 273 N 0.70 3.59 -0.08 3.92 2.01 -1.26 -1.21 115.64 123.30 3d1i s THR 273 Ca -0.07 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.42 3d1i s THR 273 Cb -0.15 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 3d1i s THR 273 CO 0.02 0.58 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.11 3d1i s PHE 274 N -0.59 2.98 0.25 4.92 0.08 -0.17 -5.00 117.98 120.44 3d1i s PHE 274 Ca 0.09 0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.22 3d1i s PHE 274 Cb -0.12 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 3d1i s PHE 274 CO 0.02 0.32 0.17 -0.65 -0.10 0.00 0.00 175.22 174.97 3d1i s GLN 275 N -0.71 2.84 -0.07 0.44 -0.21 -1.26 -0.60 119.66 120.10 3d1i s GLN 275 Ca 0.11 -1.10 0.01 0.00 0.02 0.00 0.00 55.36 54.40 3d1i s GLN 275 Cb -0.11 -2.51 0.02 0.00 1.00 0.00 0.00 33.01 31.40 3d1i s GLN 275 CO 0.02 0.40 -0.07 1.03 -2.12 0.00 0.00 175.29 174.55 3d1i s ARG 276 N -3.80 1.22 -1.46 2.91 1.81 -0.07 -4.77 118.95 114.80 3d1i s ARG 276 Ca 0.33 -0.20 -0.09 0.00 -1.72 0.00 0.00 55.73 54.04 3d1i s ARG 276 Cb -0.08 -1.20 0.04 0.00 -0.45 0.00 0.00 34.95 33.26 3d1i s ARG 276 CO 0.24 -0.12 0.89 0.41 -0.68 0.00 0.00 175.30 176.04 3d1i n GLY 277 N 4.34 -0.52 2.40 -3.53 0.00 -1.26 -1.42 105.19 105.21 3d1i n GLY 277 Ca -0.19 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3d1i n GLY 277 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d1i n ARG 278 N -4.50 -1.73 -5.10 1.61 5.12 -1.26 -4.99 116.66 105.81 3d1i n ARG 278 Ca -0.02 0.93 -0.32 0.00 -1.93 0.00 0.00 57.85 56.51 3d1i n ARG 278 Cb 0.56 -5.48 -0.15 0.00 -1.16 0.00 0.00 32.46 26.23 3d1i n ARG 278 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3d1i s GLU 279 N -4.60 2.53 0.24 5.56 2.12 -0.51 -5.07 118.70 118.98 3d1i s GLU 279 Ca 0.00 -0.82 -0.31 0.00 0.36 0.00 0.00 54.97 54.21 3d1i s GLU 279 Cb 0.00 -2.26 -0.14 0.00 0.26 0.00 0.00 34.13 31.99 3d1i s GLU 279 CO 0.00 0.48 1.25 -0.25 -0.54 0.00 0.00 175.26 176.21 3d1i n ASP 280 N 2.69 2.08 0.08 -1.70 8.00 -1.26 -0.89 116.55 125.53 3d1i n ASP 280 Ca -0.17 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.48 3d1i n ASP 280 Cb 0.52 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 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 1.32 -0.74 -4.31 1.24 7.35 0.24 -4.77 117.46 117.79 3d1i n PHE 281 Ca 0.12 0.13 -0.16 0.00 -0.76 0.00 0.00 57.45 56.77 3d1i n PHE 281 Cb 0.30 0.17 -0.10 0.00 0.35 0.00 0.00 39.48 40.20 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 -1.95 1.33 0.06 -4.13 1.70 -0.85 -0.35 118.95 114.75 3d1i s ARG 282 Ca 0.00 -1.69 -0.13 0.00 -0.47 0.00 0.00 55.73 53.44 3d1i s ARG 282 Cb 0.00 -0.40 0.02 0.00 -0.57 0.00 0.00 34.95 33.99 3d1i s ARG 282 CO 0.00 -0.19 0.28 0.00 -1.08 0.00 0.00 175.30 174.31 3d1i s ALA 283 N -3.61 -0.60 0.24 7.88 0.00 -1.26 -1.00 121.76 123.41 3d1i s ALA 283 Ca 0.31 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.16 3d1i s ALA 283 Cb 0.07 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 3d1i s ALA 283 CO 0.10 -0.45 0.03 0.96 0.00 0.00 0.00 175.76 176.40 3d1i s ILE 284 N -2.95 0.85 -0.28 0.00 -4.36 -0.35 -4.85 121.20 109.26 3d1i s ILE 284 Ca -0.02 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 3d1i s ILE 284 Cb 0.01 -2.44 0.08 0.00 1.25 0.00 0.00 42.46 41.36 3d1i s ILE 284 CO -0.06 -0.22 0.02 -0.83 0.24 0.00 0.00 174.94 174.09 3d1i s GLY 285 N -3.30 1.39 0.07 6.27 0.00 0.26 -0.54 107.32 111.47 3d1i s GLY 285 Ca 0.31 -1.75 -0.30 0.00 0.00 0.00 0.00 44.72 42.97 3d1i s GLY 285 CO 0.10 1.14 1.12 1.08 0.00 0.00 0.00 173.10 176.54 3d1i s LEU 286 N 1.33 4.39 0.12 0.66 1.43 0.39 -0.51 118.68 126.49 3d1i s LEU 286 Ca 0.03 1.93 -0.17 0.00 -1.03 0.00 0.00 54.13 54.89 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 -0.12 -0.37 0.58 -0.76 0.23 0.00 0.00 176.35 175.91 3d1i s LEU 287 N 0.80 4.43 0.33 1.79 1.43 -0.30 -0.55 118.68 126.61 3d1i s LEU 287 Ca 0.55 1.21 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 3d1i s LEU 287 Cb -0.27 -3.12 0.60 0.00 0.03 0.00 0.00 46.19 43.43 3d1i s LEU 287 CO 0.30 0.18 1.84 0.44 0.23 0.00 0.00 176.35 179.34 3d1i h ASP 288 N 4.03 0.41 -4.70 2.29 3.32 -1.50 -3.43 116.42 116.83 3d1i h ASP 288 Ca -0.49 -0.10 -0.30 0.00 0.02 0.00 0.00 57.03 56.16 3d1i h ASP 288 Cb 1.20 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.50 3d1i h ASP 288 CO 0.64 0.56 -0.64 0.42 -1.72 0.00 0.00 179.24 178.51 3d1i s THR 289 N -4.76 0.50 -1.42 0.35 -4.23 -1.26 -4.99 115.64 99.84 3d1i s THR 289 Ca -0.07 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.33 3d1i s THR 289 Cb 0.15 -2.38 0.07 0.00 1.34 0.00 0.00 72.50 71.68 3d1i s THR 289 CO 0.76 -0.21 2.16 0.00 -0.54 0.00 0.00 174.62 176.79 3d1i n ALA 290 N -0.33 5.56 -3.06 3.99 0.00 -1.26 -4.84 120.51 120.57 3d1i n ALA 290 Ca -0.03 -3.99 -0.44 0.00 0.00 0.00 0.00 53.44 48.98 3d1i n ALA 290 Cb 0.65 -3.38 -0.04 0.00 0.00 0.00 0.00 19.45 16.68 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 2.52 6.27 0.56 0.00 2.15 -1.26 -4.90 116.67 122.02 3d1i s ASP 291 Ca 0.46 -1.51 0.25 0.00 0.43 0.00 0.00 52.55 52.17 3d1i s ASP 291 Cb 0.13 -2.33 1.58 0.00 -0.30 0.00 0.00 42.92 42.01 3d1i s ASP 291 CO -0.06 -1.13 2.17 0.77 -0.17 0.00 0.00 175.17 176.75 3d1i h SER 292 N 9.12 0.00 -0.73 -0.34 4.64 -1.97 -1.84 113.55 122.43 3d1i h SER 292 Ca -0.22 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.17 3d1i h SER 292 Cb 1.07 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 3d1i h SER 292 CO 1.09 0.00 0.42 0.78 -0.87 0.00 0.00 176.83 178.25 3d1i h ASN 293 N 0.00 0.62 0.35 4.97 2.35 -1.93 0.53 115.58 122.47 3d1i h ASN 293 Ca 0.03 0.03 -0.32 0.00 -0.55 0.00 0.00 56.30 55.49 3d1i h ASN 293 Cb 0.17 -0.09 0.03 0.00 0.05 0.00 0.00 38.32 38.48 3d1i h ASN 293 CO -0.00 0.39 -1.43 0.58 -1.65 0.00 0.00 177.43 175.31 3d1i h VAL 294 N 0.75 1.33 -0.36 2.81 2.07 -1.74 -2.65 116.25 118.46 3d1i h VAL 294 Ca 0.33 -2.79 0.06 0.00 0.82 0.00 0.00 66.70 65.12 3d1i h VAL 294 Cb 0.22 3.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.96 3d1i h VAL 294 CO -0.20 0.83 0.04 0.24 0.02 0.00 0.00 177.57 178.51 3d1i h MET 295 N 0.13 0.15 0.00 1.57 2.86 -1.11 -2.56 114.93 115.96 3d1i h MET 295 Ca -0.23 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 3d1i h MET 295 Cb 2.13 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.74 3d1i h MET 295 CO 0.26 0.10 -0.42 0.00 1.06 0.00 0.00 176.91 177.91 3d1i n ALA 297 N -2.41 1.46 0.24 0.00 0.00 -0.97 -1.43 120.51 117.40 3d1i n ALA 297 Ca -0.01 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3d1i n ALA 297 Cb 0.47 -1.13 0.75 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.40 -3.38 115.11 114.52 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 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3d1i h GLN 298 CO 0.00 0.00 -0.43 0.00 -0.67 0.00 0.00 178.83 177.73 3d1i n HIS 300 N -1.36 2.70 -4.12 0.00 8.25 -0.51 -4.84 115.22 115.33 3d1i n HIS 300 Ca 0.00 -2.86 -0.09 0.00 -0.26 0.00 0.00 57.72 54.51 3d1i n HIS 300 Cb 0.21 -1.99 -0.10 0.00 1.12 0.00 0.00 29.99 29.24 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 -0.11 0.11 0.15 1.59 -7.23 -0.69 -1.49 120.40 112.72 3d1i s VAL 301 Ca 0.52 -1.84 -0.24 0.00 -1.81 0.00 0.00 61.98 58.62 3d1i s VAL 301 Cb 0.16 -1.98 -0.08 0.00 0.56 0.00 0.00 36.38 35.04 3d1i s VAL 301 CO -0.06 -0.48 0.72 -0.70 -0.31 0.00 0.00 175.10 174.27 3d1i s GLU 302 N -4.03 4.47 0.20 4.82 2.56 -1.11 -4.42 118.70 121.19 3d1i s GLU 302 Ca 0.22 1.04 -0.14 0.00 0.00 0.00 0.00 54.97 56.10 3d1i s GLU 302 Cb 0.07 -3.24 0.01 0.00 2.00 0.00 0.00 34.13 32.97 3d1i s GLU 302 CO 0.01 0.58 0.44 1.52 -0.56 0.00 0.00 175.26 177.25 3d1i s TYR 303 N -1.16 0.16 -0.15 5.30 1.13 -1.26 -3.62 117.35 117.76 3d1i s TYR 303 Ca 0.34 -0.52 -0.05 0.00 -1.41 0.00 0.00 57.07 55.44 3d1i s TYR 303 Cb -0.22 0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.81 3d1i s TYR 303 CO 0.24 -0.88 0.01 -0.80 -2.51 0.00 0.00 175.55 171.61 3d1i s ASN 304 N -2.94 5.22 -0.38 -0.18 0.01 0.98 -4.81 114.94 112.84 3d1i s ASN 304 Ca 0.15 0.02 0.12 0.00 -0.71 0.00 0.00 52.86 52.43 3d1i s ASN 304 Cb 0.00 -1.78 0.39 0.00 0.41 0.00 0.00 41.25 40.27 3d1i s ASN 304 CO 0.01 0.22 1.04 0.00 -1.51 0.00 0.00 177.10 176.86 3d1i s ASN 306 N -2.10 -0.06 0.88 0.00 4.22 -0.99 -4.54 114.94 112.36 3d1i s ASN 306 Ca 0.28 0.01 -0.12 0.00 -2.14 0.00 0.00 52.86 50.89 3d1i s ASN 306 Cb 0.39 0.06 0.12 0.00 1.28 0.00 0.00 41.25 43.09 3d1i s ASN 306 CO -0.04 -0.09 1.10 -2.16 -2.04 0.00 0.00 177.10 173.87 3d1i s PRO 307 N -1.99 1.40 0.00 3.55 0.04 -1.26 -4.46 135.00 132.28 3d1i s PRO 307 Ca 0.10 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.76 3d1i s PRO 307 Cb -0.01 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3d1i s PRO 307 CO -0.04 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 175.33 3d1i n GLY 308 N -1.67 3.19 3.15 0.56 0.00 0.34 -4.92 105.19 105.84 3d1i n GLY 308 Ca 0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.37 0.24 0.12 1.61 2.02 -0.13 -0.22 117.35 120.63 3d1i s TYR 309 Ca 0.00 -0.64 -0.26 0.00 -0.37 0.00 0.00 57.07 55.81 3d1i s TYR 309 Cb 0.00 -0.16 -0.07 0.00 -0.40 0.00 0.00 41.96 41.33 3d1i s TYR 309 CO 0.00 -0.44 0.79 -0.65 -1.57 0.00 0.00 175.55 173.68 3d1i s GLN 310 N -3.35 4.55 0.24 -0.62 -0.21 0.21 -0.23 119.66 120.26 3d1i s GLN 310 Ca 0.01 1.15 -0.05 0.00 0.02 0.00 0.00 55.36 56.49 3d1i s GLN 310 Cb 0.03 -3.31 0.26 0.00 1.00 0.00 0.00 33.01 30.99 3d1i s GLN 310 CO -0.08 0.44 1.80 -0.07 -2.12 0.00 0.00 175.29 175.26 3d1i h LEU 311 N 4.91 0.99 -0.01 2.90 3.38 -1.82 0.19 115.31 125.85 3d1i h LEU 311 Ca -0.46 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 3d1i h LEU 311 Cb 1.21 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3d1i h LEU 311 CO 0.68 0.89 0.00 0.77 0.09 0.00 0.00 178.44 180.88 3d1i h SER 312 N 1.04 0.01 0.00 -0.43 4.64 -1.93 -3.38 113.55 113.50 3d1i h SER 312 Ca 0.24 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3d1i h SER 312 Cb 0.23 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3d1i h SER 312 CO -0.02 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.18 3d1i n ASP 313 N -5.02 0.51 0.00 4.97 5.75 -1.23 -5.02 116.55 116.51 3d1i n ASP 313 Ca -0.07 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 3d1i n ASP 313 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.45 3.81 6.12 0.00 0.68 -4.96 105.19 111.23 3d1i n GLY 314 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.24 6.13 0.34 1.61 1.04 -1.26 -4.50 113.70 114.82 3d1i s SER 315 Ca 0.00 1.78 -0.28 0.00 0.48 0.00 0.00 55.95 57.93 3d1i s SER 315 Cb 0.00 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.49 3d1i s SER 315 CO 0.00 -0.93 1.24 -0.60 0.98 0.00 0.00 173.24 173.93 3d1i s ARG 316 N -3.87 4.33 -0.28 4.02 6.06 -1.26 -0.62 118.95 127.33 3d1i s ARG 316 Ca 0.63 2.05 -0.01 0.00 -2.50 0.00 0.00 55.73 55.90 3d1i s ARG 316 Cb -0.14 -3.00 0.04 0.00 0.06 0.00 0.00 34.95 31.91 3d1i s ARG 316 CO 0.31 -0.15 -0.03 0.08 -2.50 0.00 0.00 175.30 173.02 3d1i s VAL 317 N -1.20 2.88 0.69 7.11 1.01 0.70 -4.84 120.40 126.75 3d1i s VAL 317 Ca 0.50 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3d1i s VAL 317 Cb -0.36 -2.60 0.12 0.00 0.00 0.00 0.00 36.38 33.54 3d1i s VAL 317 CO 0.47 -0.00 0.95 -0.83 0.00 0.00 0.00 175.10 175.69 3d1i s GLY 318 N 1.26 1.75 0.54 4.51 0.00 -1.26 -0.50 107.32 113.62 3d1i s GLY 318 Ca -0.04 -1.84 0.20 0.00 0.00 0.00 0.00 44.72 43.04 3d1i s GLY 318 CO -0.02 -1.29 2.17 -0.33 0.00 0.00 0.00 173.10 173.63 3d1i h MET 319 N -0.37 0.00 0.00 2.90 2.86 -1.89 -1.56 114.93 116.86 3d1i h MET 319 Ca -0.35 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3d1i h MET 319 Cb 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 3d1i h MET 319 CO 0.40 0.01 -0.01 0.38 1.06 0.00 0.00 176.91 178.75 3d1i h ASP 320 N 0.00 0.00 -3.62 1.22 2.03 -1.94 -3.43 116.42 110.69 3d1i h ASP 320 Ca -0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 3d1i h ASP 320 Cb 0.02 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.49 3d1i h ASP 320 CO 0.00 0.01 0.23 -0.62 -1.03 0.00 0.00 179.24 177.83 3d1i s ASP 321 N -5.44 7.43 0.55 4.15 -1.08 -0.59 -4.93 116.67 116.77 3d1i s ASP 321 Ca -0.02 1.73 0.25 0.00 -0.52 0.00 0.00 52.55 53.99 3d1i s ASP 321 Cb 0.11 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.51 3d1i s ASP 321 CO 0.48 0.16 2.03 0.03 0.52 0.00 0.00 175.17 178.39 3d1i h ARG 322 N 4.12 0.00 0.00 4.34 2.47 -1.87 -0.78 114.38 122.66 3d1i h ARG 322 Ca -0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 3d1i h ARG 322 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 3d1i h ARG 322 CO 0.66 0.00 0.00 0.54 0.56 0.00 0.00 179.97 181.73 3d1i n ARG 323 N -4.17 0.17 0.00 0.04 1.74 -1.26 -1.51 116.66 111.66 3d1i n ARG 323 Ca 0.06 0.56 0.10 0.00 -0.77 0.00 0.00 57.85 57.80 3d1i n ARG 323 Cb 0.47 -1.94 0.44 0.00 -1.02 0.00 0.00 32.46 30.42 3d1i n ARG 323 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d1i n ALA 324 N -1.78 1.95 -3.63 7.54 0.00 -0.30 -4.05 120.51 120.23 3d1i n ALA 324 Ca -0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 3d1i n ALA 324 Cb 0.11 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.10 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 -3.00 3.51 -0.09 0.00 2.47 -0.57 -2.35 114.94 114.91 3d1i s ASN 325 Ca 0.10 -2.28 -0.04 0.00 0.42 0.00 0.00 52.86 51.06 3d1i s ASN 325 Cb 0.14 -0.79 0.04 0.00 -1.45 0.00 0.00 41.25 39.19 3d1i s ASN 325 CO 0.38 -0.31 0.20 -2.28 -3.72 0.00 0.00 177.10 171.36 3d1i s HIS 326 N 0.85 -0.25 -0.36 0.43 2.46 -0.36 -4.91 115.29 113.16 3d1i s HIS 326 Ca 0.16 0.64 -0.14 0.00 0.47 0.00 0.00 55.06 56.19 3d1i s HIS 326 Cb -0.23 -0.02 -0.01 0.00 -0.13 0.00 0.00 32.58 32.20 3d1i s HIS 326 CO -0.05 -0.20 0.27 -0.06 -2.47 0.00 0.00 174.74 172.23 3d1i s PHE 327 N 1.21 3.23 0.31 3.88 0.40 -1.26 -0.01 117.98 125.74 3d1i s PHE 327 Ca -0.09 -0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 3d1i s PHE 327 Cb -0.11 -2.53 0.53 0.00 0.51 0.00 0.00 43.02 41.42 3d1i s PHE 327 CO -0.07 -0.42 1.81 0.74 0.70 0.00 0.00 175.22 177.98 3d1i h PHE 328 N 8.52 0.54 -6.16 0.36 0.04 -1.94 -3.45 116.94 114.86 3d1i h PHE 328 Ca -0.30 -0.08 -0.44 0.00 2.80 0.00 0.00 57.97 59.96 3d1i h PHE 328 Cb 1.15 -0.15 0.03 0.00 2.20 0.00 0.00 35.95 39.18 3d1i h PHE 328 CO 0.64 0.60 -0.82 1.87 -0.60 0.00 0.00 178.31 180.00 3d1i n TRP 329 N -4.22 -1.97 -3.82 -0.55 -0.00 -1.26 -4.97 117.44 100.65 3d1i n TRP 329 Ca 0.01 0.85 -0.12 0.00 -0.00 0.00 0.00 57.50 58.23 3d1i n TRP 329 Cb 0.31 -4.27 -0.13 0.00 -0.00 0.00 0.00 31.31 27.22 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 -3.62 -0.29 1.07 5.87 0.00 -1.26 -5.00 121.76 118.54 3d1i s ALA 330 Ca 0.14 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.30 3d1i s ALA 330 Cb -0.07 -0.22 0.23 0.00 0.00 0.00 0.00 23.12 23.06 3d1i s ALA 330 CO 0.82 -0.07 1.18 0.54 0.00 0.00 0.00 175.76 178.23 3d1i s ASN 331 N 0.17 2.11 0.34 0.00 2.20 -1.26 -4.68 114.94 113.81 3d1i s ASN 331 Ca -0.01 0.61 0.02 0.00 -0.94 0.00 0.00 52.86 52.53 3d1i s ASN 331 Cb -0.02 -0.87 0.59 0.00 -2.00 0.00 0.00 41.25 38.95 3d1i s ASN 331 CO -0.00 -3.39 1.98 1.62 -2.94 0.00 0.00 177.10 174.37 3d1i h VAL 332 N -2.08 1.18 0.00 3.54 3.04 -1.98 -0.22 116.25 119.72 3d1i h VAL 332 Ca -0.46 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 3d1i h VAL 332 Cb 1.28 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3d1i h VAL 332 CO 0.41 0.18 -0.05 0.49 -1.01 0.00 0.00 177.57 177.60 3d1i n PHE 333 N -4.42 0.08 0.60 3.17 3.72 -1.26 -2.97 117.46 116.39 3d1i n PHE 333 Ca 0.06 0.02 0.07 0.00 -0.05 0.00 0.00 57.45 57.56 3d1i n PHE 333 Cb 0.06 -0.52 0.05 0.00 -0.94 0.00 0.00 39.48 38.13 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 -1.57 2.05 -0.07 4.37 8.00 -0.38 -4.73 116.55 124.23 3d1i n ASP 334 Ca 0.07 -1.53 -0.13 0.00 0.71 0.00 0.00 54.79 53.91 3d1i n ASP 334 Cb 0.35 0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 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 2.56 0.62 -0.76 1.24 3.20 -0.99 -1.64 116.97 121.21 3d1i h TYR 335 Ca 0.00 -0.20 0.08 0.00 3.14 0.00 0.00 58.73 61.76 3d1i h TYR 335 Cb 0.57 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 3d1i h TYR 335 CO 0.00 0.89 0.42 -0.22 -1.64 0.00 0.00 178.16 177.60 3d1i h LYS 336 N 0.18 0.70 -0.58 1.82 3.64 -1.85 1.00 116.57 121.47 3d1i h LYS 336 Ca 0.03 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 3d1i h LYS 336 Cb 0.80 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3d1i h LYS 336 CO 0.06 0.46 0.01 1.49 -2.27 0.00 0.00 179.45 179.19 3d1i h GLU 337 N 0.72 1.01 -0.49 1.90 4.81 -1.85 0.56 114.58 121.24 3d1i h GLU 337 Ca 0.36 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3d1i h GLU 337 Cb 0.31 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3d1i h GLU 337 CO -0.23 0.99 0.15 0.00 -0.73 0.00 0.00 179.01 179.18 3d1i h ALA 338 N 1.07 1.34 0.01 2.92 0.00 -0.22 0.22 119.26 124.59 3d1i h ALA 338 Ca 0.17 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 3d1i h ALA 338 Cb 0.53 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3d1i h ALA 338 CO 0.03 0.48 -1.03 0.00 0.00 0.00 0.00 179.25 178.73 3d1i h ALA 339 N 1.45 0.21 -0.67 0.00 0.00 -0.33 -3.01 119.26 116.92 3d1i h ALA 339 Ca 0.17 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3d1i h ALA 339 Cb 0.22 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3d1i h ALA 339 CO -0.01 0.75 0.33 1.96 0.00 0.00 0.00 179.25 182.28 3d1i h GLN 340 N 0.31 0.94 -0.76 0.00 4.20 -0.51 -0.85 115.11 118.44 3d1i h GLN 340 Ca -0.12 -0.12 0.10 0.00 0.06 0.00 0.00 58.65 58.57 3d1i h GLN 340 Cb 1.68 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 29.23 3d1i h GLN 340 CO 0.19 0.72 0.50 1.49 -0.67 0.00 0.00 178.83 181.06 3d1i h GLU 341 N 0.94 0.66 -0.40 1.46 4.81 -0.45 -0.98 114.58 120.62 3d1i h GLU 341 Ca 0.23 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3d1i h GLU 341 Cb 0.08 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3d1i h GLU 341 CO -0.03 0.44 0.00 0.44 -0.73 0.00 0.00 179.01 179.12 3d1i n ILE 342 N -4.50 0.83 -3.38 2.32 -5.35 -1.12 -5.01 119.36 103.16 3d1i n ILE 342 Ca 0.13 -0.92 -0.19 0.00 -0.27 0.00 0.00 62.75 61.50 3d1i n ILE 342 Cb 0.33 0.64 0.06 0.00 -1.74 0.00 0.00 39.64 38.93 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 0.90 -6.30 -3.78 7.28 2.03 -0.37 -4.99 116.55 111.32 3d1i n ASP 343 Ca 0.15 -0.78 -0.13 0.00 0.52 0.00 0.00 54.79 54.55 3d1i n ASP 343 Cb 0.48 -4.65 -0.12 0.00 -0.72 0.00 0.00 41.12 36.11 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 -3.39 -0.26 0.15 -0.67 2.19 -0.91 -3.29 117.98 111.80 3d1i s PHE 344 Ca 0.44 0.63 -0.01 0.00 0.33 0.00 0.00 56.93 58.33 3d1i s PHE 344 Cb -0.09 0.07 -0.04 0.00 -1.31 0.00 0.00 43.02 41.65 3d1i s PHE 344 CO 0.78 -0.14 0.07 -0.59 1.83 0.00 0.00 175.22 177.17 3d1i s PHE 345 N 0.37 0.96 -0.19 10.12 -0.71 0.68 -4.68 117.98 124.54 3d1i s PHE 345 Ca -0.02 -1.26 -0.17 0.00 -1.04 0.00 0.00 56.93 54.44 3d1i s PHE 345 Cb -0.04 -0.52 -0.21 0.00 -1.21 0.00 0.00 43.02 41.05 3d1i s PHE 345 CO -0.02 -0.53 0.23 -0.25 -1.34 0.00 0.00 175.22 173.31 3d1i n ASP 346 N -0.15 1.94 -3.76 1.98 9.92 -0.41 -0.96 116.55 125.11 3d1i n ASP 346 Ca -0.04 0.35 -0.10 0.00 -0.53 0.00 0.00 54.79 54.48 3d1i n ASP 346 Cb 0.64 -0.93 -0.04 0.00 -0.64 0.00 0.00 41.12 40.16 3d1i n ASP 346 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3d1i s PHE 347 N -2.43 -0.06 -0.21 1.24 -0.71 -0.94 -4.61 117.98 110.27 3d1i s PHE 347 Ca -0.28 -0.29 -0.09 0.00 -1.04 0.00 0.00 56.93 55.23 3d1i s PHE 347 Cb 0.07 0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 3d1i s PHE 347 CO 0.64 -0.89 0.12 1.03 -1.34 0.00 0.00 175.22 174.78 3d1i s ARG 348 N -3.88 4.07 0.22 1.99 0.52 -1.26 -0.26 118.95 120.35 3d1i s ARG 348 Ca 0.10 -0.28 -0.32 0.00 -0.52 0.00 0.00 55.73 54.71 3d1i s ARG 348 Cb -0.00 -3.39 -0.12 0.00 0.52 0.00 0.00 34.95 31.95 3d1i s ARG 348 CO -0.03 0.20 1.64 1.58 0.02 0.00 0.00 175.30 178.72 3d1i n HIS 349 N 3.80 2.63 0.22 -0.53 -0.00 0.39 -4.67 115.22 117.05 3d1i n HIS 349 Ca -0.16 0.16 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 3d1i n HIS 349 Cb 0.52 -2.62 0.58 0.00 -0.00 0.00 0.00 29.99 28.48 3d1i n HIS 349 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3d1i h ALA 350 N 5.97 1.90 0.00 1.57 0.00 -1.39 0.08 119.26 127.40 3d1i h ALA 350 Ca -0.44 -0.03 -0.43 0.00 0.00 0.00 0.00 54.91 54.00 3d1i h ALA 350 Cb 1.22 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3d1i h ALA 350 CO 0.89 0.08 -2.41 2.41 0.00 0.00 0.00 179.25 180.22 3d1i n THR 351 N -4.49 1.53 0.12 0.00 -1.04 -1.26 -4.61 114.28 104.52 3d1i n THR 351 Ca -0.02 -0.39 0.08 0.00 -2.04 0.00 0.00 64.05 61.68 3d1i n THR 351 Cb 0.11 -1.82 0.02 0.00 -1.82 0.00 0.00 70.33 66.83 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 -0.81 0.25 0.00 12.58 1.35 -1.87 -3.44 112.91 120.96 3d1i h THR 352 Ca -0.65 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 3d1i h THR 352 Cb 1.65 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 3d1i h THR 352 CO -0.34 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 175.68 3d1i n GLY 353 N 1.22 0.52 3.77 5.82 0.00 0.01 -4.93 105.19 111.60 3d1i n GLY 353 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.38 3.39 0.09 4.61 0.00 -1.26 -4.56 121.76 121.65 3d1i s ALA 354 Ca 0.00 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 3d1i s ALA 354 Cb 0.00 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 3d1i s ALA 354 CO 0.00 -0.63 1.42 0.00 0.00 0.00 0.00 175.76 176.56 3d1i s ALA 355 N -1.21 3.61 0.11 0.00 0.00 -1.26 -0.46 121.76 122.54 3d1i s ALA 355 Ca 0.51 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.62 3d1i s ALA 355 Cb -0.37 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 3d1i s ALA 355 CO 0.49 -0.72 -0.12 -0.51 0.00 0.00 0.00 175.76 174.90 3d1i s LEU 356 N 1.48 2.40 0.37 0.00 1.43 0.64 -4.50 118.68 120.51 3d1i s LEU 356 Ca 0.66 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 3d1i s LEU 356 Cb -0.36 -0.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 3d1i s LEU 356 CO 0.30 -0.22 0.66 -2.16 0.23 0.00 0.00 176.35 175.17 3d1i s PRO 357 N -2.71 3.63 -0.20 1.29 0.04 -1.26 -1.29 135.00 134.49 3d1i s PRO 357 Ca 0.06 0.12 -0.03 0.00 0.04 0.00 0.00 61.00 61.20 3d1i s PRO 357 Cb -0.04 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 3d1i s PRO 357 CO 0.01 0.04 -0.07 0.21 0.04 0.00 0.00 177.00 177.23 3d1i s LYS 358 N -4.02 3.38 -0.01 4.56 2.47 -1.26 -4.87 119.74 119.98 3d1i s LYS 358 Ca 0.46 -0.64 -0.03 0.00 -1.56 0.00 0.00 55.97 54.20 3d1i s LYS 358 Cb -0.10 -2.91 -0.04 0.00 -1.46 0.00 0.00 37.83 33.31 3d1i s LYS 358 CO 0.35 -0.10 0.19 -0.51 0.16 0.00 0.00 175.35 175.44 3d1i s LEU 359 N 1.21 4.37 -0.03 5.43 2.01 -1.26 -4.89 118.68 125.52 3d1i s LEU 359 Ca 0.02 0.37 0.01 0.00 0.01 0.00 0.00 54.13 54.54 3d1i s LEU 359 Cb -0.14 -2.61 0.01 0.00 0.01 0.00 0.00 46.19 43.46 3d1i s LEU 359 CO -0.02 0.27 -0.04 -1.10 1.01 0.00 0.00 176.35 176.46 3d1i s GLN 360 N -1.90 0.61 0.00 1.70 1.11 -1.26 -4.82 119.66 115.10 3d1i s GLN 360 Ca 0.27 -0.12 0.00 0.00 0.01 0.00 0.00 55.36 55.51 3d1i s GLN 360 Cb -0.13 -0.63 0.00 0.00 -1.01 0.00 0.00 33.01 31.24 3d1i s GLN 360 CO 0.18 -0.00 0.00 -2.39 0.01 0.00 0.00 175.29 173.09 3d1i n HIS 361 N 3.60 0.00 -1.47 0.91 1.44 -1.18 -2.74 115.22 115.77 3d1i n HIS 361 Ca -0.21 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.24 3d1i n HIS 361 Cb 0.54 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.17 2.69 -0.22 -1.40 -0.04 -1.26 -1.70 135.00 132.89 3d1i n PRO 362 Ca 0.00 -2.27 -0.05 0.00 -0.04 0.00 0.00 63.50 61.14 3d1i n PRO 362 Cb 0.00 -2.21 0.05 0.00 -0.04 0.00 0.00 33.50 31.30 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 3.29 0.83 -0.40 0.54 3.07 -1.83 -1.47 114.58 118.61 3d1i h GLU 363 Ca 0.42 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.19 3d1i h GLU 363 Cb 0.78 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 3d1i h GLU 363 CO 0.88 0.55 0.10 0.00 -1.40 0.00 0.00 179.01 179.14 3d1i h ALA 364 N 1.24 0.53 0.00 3.43 0.00 -1.54 -0.44 119.26 122.48 3d1i h ALA 364 Ca 0.24 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3d1i h ALA 364 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3d1i h ALA 364 CO -0.06 0.21 -0.43 0.93 0.00 0.00 0.00 179.25 179.90 3d1i h GLU 365 N 0.51 0.00 -0.10 0.00 3.07 -1.79 -2.67 114.58 113.60 3d1i h GLU 365 Ca 0.13 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.77 3d1i h GLU 365 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3d1i h GLU 365 CO 0.00 0.43 -0.79 1.15 -1.40 0.00 0.00 179.01 178.39 3d1i h THR 366 N 0.00 1.32 0.00 1.13 2.02 -0.97 -3.28 112.91 113.13 3d1i h THR 366 Ca -0.00 -2.10 -0.07 0.00 0.77 0.00 0.00 66.41 65.01 3d1i h THR 366 Cb 0.97 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 3d1i h THR 366 CO 0.06 0.65 -0.35 0.15 0.37 0.00 0.00 175.52 176.39 3d1i h PHE 367 N 0.41 0.00 -2.49 3.16 3.57 -0.75 -3.42 116.94 117.41 3d1i h PHE 367 Ca -0.05 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.87 3d1i h PHE 367 Cb 1.41 0.00 0.07 0.00 2.79 0.00 0.00 35.95 40.21 3d1i h PHE 367 CO 0.07 0.35 0.77 0.91 -2.23 0.00 0.00 178.31 178.18 3d1i n TRP 368 N -4.10 2.32 -0.66 0.41 8.01 -1.07 -1.66 117.44 120.68 3d1i n TRP 368 Ca -0.02 0.30 0.00 0.00 -1.31 0.00 0.00 57.50 56.47 3d1i n TRP 368 Cb 0.39 -2.53 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 2.99 1.49 3.76 6.99 0.00 -1.26 -5.01 105.19 114.15 3d1i n GLY 369 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.25 4.29 0.22 1.61 1.04 -0.66 -4.76 113.70 112.20 3d1i s SER 370 Ca 0.00 1.69 -0.07 0.00 0.48 0.00 0.00 55.95 58.04 3d1i s SER 370 Cb 0.00 -2.40 0.29 0.00 0.10 0.00 0.00 66.02 64.02 3d1i s SER 370 CO 0.00 -2.15 1.82 0.58 0.98 0.00 0.00 173.24 174.47 3d1i h VAL 371 N -1.21 0.97 -0.29 5.02 2.07 -1.88 0.98 116.25 121.90 3d1i h VAL 371 Ca -0.45 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 3d1i h VAL 371 Cb 1.25 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3d1i h VAL 371 CO 0.53 0.14 -0.11 0.45 0.02 0.00 0.00 177.57 178.60 3d1i h HIS 372 N 0.76 0.67 -0.77 1.57 3.86 -1.91 -2.10 115.15 117.24 3d1i h HIS 372 Ca 0.34 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.34 3d1i h HIS 372 Cb 0.22 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 3d1i h HIS 372 CO -0.07 0.80 0.30 1.49 0.86 0.00 0.00 177.93 181.32 3d1i h GLU 373 N 0.34 1.15 0.00 2.45 4.22 -1.60 -0.90 114.58 120.25 3d1i h GLU 373 Ca 0.07 -0.21 -0.04 0.00 0.08 0.00 0.00 59.36 59.25 3d1i h GLU 373 Cb 0.61 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3d1i h GLU 373 CO 0.04 0.94 -0.21 0.00 -2.18 0.00 0.00 179.01 177.60 3d1i h ARG 374 N 1.11 0.00 -0.52 1.92 2.47 -0.71 -1.62 114.38 117.03 3d1i h ARG 374 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3d1i h ARG 374 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3d1i h ARG 374 CO -0.02 0.21 0.00 0.09 0.56 0.00 0.00 179.97 180.81 3d1i n ASN 375 N -3.91 2.59 0.00 7.04 3.02 -0.71 -4.92 115.26 118.37 3d1i n ASN 375 Ca -0.02 -2.16 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 3d1i n ASN 375 Cb 0.29 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.88 0.58 3.84 7.41 0.00 -0.61 -5.03 105.19 112.26 3d1i n GLY 376 Ca 0.14 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 4.58 0.22 1.61 1.01 -0.42 -5.02 120.40 120.39 3d1i s VAL 377 Ca 0.00 1.13 0.03 0.00 0.00 0.00 0.00 61.98 63.14 3d1i s VAL 377 Cb 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3d1i s VAL 377 CO 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 175.10 174.93 3d1i s ALA 378 N -1.98 1.69 0.22 5.51 0.00 -1.26 -4.31 121.76 121.63 3d1i s ALA 378 Ca 0.55 -1.73 -0.08 0.00 0.00 0.00 0.00 51.96 50.70 3d1i s ALA 378 Cb -0.11 0.56 0.36 0.00 0.00 0.00 0.00 23.12 23.93 3d1i s ALA 378 CO 0.17 -0.29 1.69 0.00 0.00 0.00 0.00 175.76 177.33 3d1i h ALA 380 N 1.55 1.88 -0.14 0.00 0.00 -1.88 -0.73 119.26 119.93 3d1i h ALA 380 Ca 0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3d1i h ALA 380 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3d1i h ALA 380 CO -0.47 -0.03 -0.15 -0.44 0.00 0.00 0.00 179.25 178.16 3d1i h ASP 381 N 0.00 0.22 0.00 0.00 3.32 -1.35 -0.26 116.42 118.35 3d1i h ASP 381 Ca 0.01 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3d1i h ASP 381 Cb 0.04 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3d1i h ASP 381 CO -0.00 0.39 -1.98 0.00 -1.72 0.00 0.00 179.24 175.93 3d1i n HIS 383 N -2.27 0.00 -2.86 0.00 8.25 -0.33 -3.65 115.22 114.36 3d1i n HIS 383 Ca -0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.27 3d1i n HIS 383 Cb 0.61 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.71 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 -1.38 0.79 -1.66 -0.41 -0.00 -0.15 -2.36 117.12 111.94 3d1i n MET 384 Ca -0.00 -2.11 -0.29 0.00 -0.00 0.00 0.00 57.70 55.30 3d1i n MET 384 Cb 0.04 -1.38 0.14 0.00 -0.00 0.00 0.00 33.22 32.02 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 0.18 1.04 0.51 3.17 0.04 -0.97 -4.35 135.00 134.62 3d1i s PRO 385 Ca 0.32 0.08 -0.23 0.00 0.04 0.00 0.00 61.00 61.21 3d1i s PRO 385 Cb 0.22 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.86 3d1i s PRO 385 CO -0.20 -2.22 1.34 0.15 0.04 0.00 0.00 177.00 176.11 3d1i s LYS 386 N -5.49 3.38 0.28 4.56 1.02 -1.26 -1.32 119.74 120.91 3d1i s LYS 386 Ca 0.66 2.20 -0.25 0.00 0.02 0.00 0.00 55.97 58.60 3d1i s LYS 386 Cb -0.11 -2.38 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 3d1i s LYS 386 CO 0.52 -0.99 0.89 0.54 -0.92 0.00 0.00 175.35 175.40 3d1i s VAL 387 N -1.31 4.27 -0.19 3.17 0.11 -0.29 -4.79 120.40 121.36 3d1i s VAL 387 Ca 0.68 1.76 -0.05 0.00 -2.93 0.00 0.00 61.98 61.43 3d1i s VAL 387 Cb -0.39 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.40 3d1i s VAL 387 CO 0.48 0.23 0.01 -1.58 -3.33 0.00 0.00 175.10 170.90 3d1i s GLN 388 N -1.87 3.69 -0.02 1.54 2.00 -1.26 -4.60 119.66 119.14 3d1i s GLN 388 Ca 0.47 -0.49 0.03 0.00 -2.00 0.00 0.00 55.36 53.37 3d1i s GLN 388 Cb -0.20 -3.08 -0.00 0.00 0.80 0.00 0.00 33.01 30.53 3d1i s GLN 388 CO 0.24 0.09 -0.11 -0.51 -0.50 0.00 0.00 175.29 174.50 3d1i s LEU 389 N 0.81 1.88 0.24 3.68 1.43 -1.26 -5.01 118.68 120.45 3d1i s LEU 389 Ca 0.01 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 3d1i s LEU 389 Cb -0.14 -0.65 0.24 0.00 0.03 0.00 0.00 46.19 45.67 3d1i s LEU 389 CO 0.02 0.11 1.90 -0.33 0.23 0.00 0.00 176.35 178.28 3d1i h GLU 390 N 6.19 1.30 -2.80 1.70 5.08 -2.03 -3.39 114.58 120.63 3d1i h GLU 390 Ca -0.33 -0.10 -0.31 0.00 -1.00 0.00 0.00 59.36 57.62 3d1i h GLU 390 Cb 1.17 -0.28 -0.36 0.00 0.50 0.00 0.00 28.75 29.78 3d1i h GLU 390 CO 0.49 0.89 -0.63 -0.80 -1.00 0.00 0.00 179.01 177.96 3d1i s ASN 391 N -6.16 1.12 0.00 1.42 0.01 -1.26 -5.14 114.94 104.93 3d1i s ASN 391 Ca -0.13 0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 3d1i s ASN 391 Cb 0.18 0.34 0.00 0.00 0.41 0.00 0.00 41.25 42.17 3d1i s ASN 391 CO 0.82 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 176.73 3d1i n GLY 392 N 5.32 0.13 3.67 0.66 0.00 -1.26 -5.09 105.19 108.62 3d1i n GLY 392 Ca -0.05 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 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 4.25 0.41 1.61 2.20 -1.26 -4.94 119.74 120.01 3d1i s LYS 393 Ca 0.00 0.71 -0.25 0.00 -0.36 0.00 0.00 55.97 56.07 3d1i s LYS 393 Cb 0.00 -3.57 -0.08 0.00 -1.51 0.00 0.00 37.83 32.67 3d1i s LYS 393 CO 0.00 -0.23 1.19 0.54 -0.36 0.00 0.00 175.35 176.49 3d1i s VAL 394 N 1.86 3.04 0.18 4.02 0.11 -1.26 -5.04 120.40 123.31 3d1i s VAL 394 Ca 0.31 0.87 -0.04 0.00 -2.93 0.00 0.00 61.98 60.20 3d1i s VAL 394 Cb -0.16 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.17 3d1i s VAL 394 CO 0.11 0.08 0.17 -0.72 -3.33 0.00 0.00 175.10 171.41 3d1i s TYR 395 N -1.40 0.86 -0.17 1.54 1.13 -1.26 -5.03 117.35 113.01 3d1i s TYR 395 Ca 0.58 -1.16 -0.18 0.00 -1.41 0.00 0.00 57.07 54.89 3d1i s TYR 395 Cb -0.32 -0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 40.13 3d1i s TYR 395 CO 0.40 -0.65 0.50 0.99 -2.51 0.00 0.00 175.55 174.27 3d1i s THR 396 N -4.08 5.14 0.27 -3.49 2.01 -1.26 -1.14 115.64 113.09 3d1i s THR 396 Ca 0.29 0.94 -0.31 0.00 0.31 0.00 0.00 61.69 62.92 3d1i s THR 396 Cb 0.06 -3.83 -0.12 0.00 0.01 0.00 0.00 72.50 68.62 3d1i s THR 396 CO 0.06 0.23 1.55 -0.24 -0.69 0.00 0.00 174.62 175.53 3d1i n SER 397 N 4.41 3.54 -1.13 3.53 2.88 -0.43 -4.80 113.62 121.63 3d1i n SER 397 Ca -0.06 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.70 3d1i n SER 397 Cb 0.51 -1.54 0.29 0.00 -0.75 0.00 0.00 64.21 62.72 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 2.20 1.22 -3.13 0.66 8.25 -1.26 -4.48 115.22 118.68 3d1i n HIS 398 Ca 0.10 -0.86 -0.45 0.00 -0.26 0.00 0.00 57.72 56.25 3d1i n HIS 398 Cb 0.35 -0.37 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.68 6.41 -0.40 0.41 0.15 -1.22 -3.62 113.70 113.76 3d1i s SER 399 Ca 0.45 -1.87 -0.27 0.00 0.70 0.00 0.00 55.95 54.96 3d1i s SER 399 Cb 0.36 -2.30 0.02 0.00 -1.71 0.00 0.00 66.02 62.39 3d1i s SER 399 CO 0.10 -0.97 0.98 -1.10 1.20 0.00 0.00 173.24 173.46 3d1i s GLN 400 N 2.05 3.80 0.35 5.44 1.11 -1.26 -4.62 119.66 126.53 3d1i s GLN 400 Ca 0.17 0.57 -0.14 0.00 0.01 0.00 0.00 55.36 55.96 3d1i s GLN 400 Cb -0.17 -3.83 0.04 0.00 -1.01 0.00 0.00 33.01 28.03 3d1i s GLN 400 CO -0.01 -1.06 0.70 -0.98 0.01 0.00 0.00 175.29 173.95 3d1i s ARG 401 N 3.72 2.05 0.37 2.91 1.70 -1.00 -4.79 118.95 123.91 3d1i s ARG 401 Ca 0.41 -1.39 -0.28 0.00 -0.47 0.00 0.00 55.73 54.00 3d1i s ARG 401 Cb -0.11 0.58 -0.11 0.00 -0.57 0.00 0.00 34.95 34.74 3d1i s ARG 401 CO 0.22 -0.93 1.43 -2.37 -1.08 0.00 0.00 175.30 172.57 3d1i n THR 402 N -0.51 2.03 0.24 4.99 5.66 -1.26 -4.47 114.28 120.97 3d1i n THR 402 Ca -0.06 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.58 3d1i n THR 402 Cb 0.60 -1.86 0.66 0.00 -1.55 0.00 0.00 70.33 68.18 3d1i n THR 402 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 3d1i h PRO 403 N 2.81 0.00 -0.36 1.09 0.13 -1.93 -2.79 132.00 130.95 3d1i h PRO 403 Ca -0.50 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.74 3d1i h PRO 403 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3d1i h PRO 403 CO 0.63 0.00 0.36 0.00 -0.23 0.00 0.00 178.00 178.76 3d1i h ARG 404 N 0.00 0.00 -0.00 0.86 3.08 -1.90 -0.49 114.38 115.93 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3d1i h ARG 404 CO 0.00 0.00 -0.17 -0.25 -1.07 0.00 0.00 179.97 178.48 3d1i n ASP 405 N -3.86 0.27 -2.76 7.04 9.92 -1.05 -4.27 116.55 121.83 3d1i n ASP 405 Ca 0.06 -0.04 -0.09 0.00 -0.53 0.00 0.00 54.79 54.19 3d1i n ASP 405 Cb 0.53 -0.16 0.07 0.00 -0.64 0.00 0.00 41.12 40.92 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 -1.34 1.12 0.05 -1.24 0.00 -0.23 -4.99 117.12 110.48 3d1i n MET 406 Ca 0.09 -2.37 0.00 0.00 0.00 0.00 0.00 57.70 55.42 3d1i n MET 406 Cb 0.32 -0.75 0.32 0.00 0.00 0.00 0.00 33.22 33.10 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 2.58 0.40 -0.46 3.17 2.86 -1.63 0.92 114.93 122.78 3d1i h MET 407 Ca -0.15 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3d1i h MET 407 Cb 1.19 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 3d1i h MET 407 CO 0.18 0.51 0.25 0.78 1.06 0.00 0.00 176.91 179.68 3d1i h GLY 408 N 0.84 0.65 1.19 8.32 0.00 -1.94 -0.33 103.07 111.79 3d1i h GLY 408 Ca 0.08 -0.18 -0.33 0.00 0.00 0.00 0.00 47.33 46.90 3d1i h GLY 408 CO 0.02 0.13 -1.55 1.46 0.00 0.00 0.00 176.54 176.60 3d1i h GLN 409 N 0.49 0.41 0.00 4.80 1.08 -1.76 -1.48 115.11 118.65 3d1i h GLN 409 Ca 0.20 -0.70 -0.14 0.00 -1.45 0.00 0.00 58.65 56.55 3d1i h GLN 409 Cb 0.08 0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 3d1i h GLN 409 CO -0.12 1.32 -0.67 0.00 -0.95 0.00 0.00 178.83 178.40 3d1i h ALA 410 N 0.25 0.74 0.00 3.87 0.00 -0.82 -3.43 119.26 119.88 3d1i h ALA 410 Ca -0.27 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3d1i h ALA 410 Cb 2.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3d1i h ALA 410 CO 0.22 0.84 -0.20 0.00 0.00 0.00 0.00 179.25 180.11 3d1i h LEU 412 N 0.00 0.00 -1.13 0.00 3.38 -1.05 0.17 115.31 116.68 3d1i h LEU 412 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3d1i h LEU 412 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3d1i h LEU 412 CO 0.00 0.29 0.31 0.78 0.09 0.00 0.00 178.44 179.90 3d1i h ASN 413 N 0.00 0.83 0.17 -0.43 -0.26 -1.51 -3.06 115.58 111.32 3d1i h ASN 413 Ca -0.00 -0.09 -0.27 0.00 -0.56 0.00 0.00 56.30 55.38 3d1i h ASN 413 Cb 1.22 -0.21 0.02 0.00 -1.06 0.00 0.00 38.32 38.28 3d1i h ASN 413 CO 0.04 0.71 -1.27 0.00 -1.06 0.00 0.00 177.43 175.84 3d1i n HIS 415 N -3.90 2.93 0.29 0.00 8.25 0.56 -4.78 115.22 118.58 3d1i n HIS 415 Ca -0.19 -2.82 0.12 0.00 -0.26 0.00 0.00 57.72 54.57 3d1i n HIS 415 Cb 0.95 -1.57 0.58 0.00 1.12 0.00 0.00 29.99 31.07 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 5.75 1.00 0.00 -1.41 0.00 -1.74 -2.31 119.26 120.55 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 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3d1i h ALA 416 CO 1.39 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.79 3d1i n GLU 417 N -2.35 0.03 -4.32 0.00 0.00 -1.26 -4.88 120.64 107.86 3d1i n GLU 417 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 57.16 56.98 3d1i n GLU 417 Cb 0.15 -1.54 -0.12 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 -3.02 2.49 0.64 -1.84 0.51 -0.87 -5.11 118.94 111.74 3d1i s TRP 418 Ca 0.11 -0.29 -0.08 0.00 -2.12 0.00 0.00 56.10 53.73 3d1i s TRP 418 Cb 0.15 -1.32 0.01 0.00 -0.81 0.00 0.00 33.47 31.50 3d1i s TRP 418 CO 0.45 0.38 0.98 0.95 -0.51 0.00 0.00 176.95 179.20 3d1i s THR 419 N -1.14 3.52 0.22 2.01 -4.23 -1.26 -4.93 115.64 109.83 3d1i s THR 419 Ca 0.17 0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 60.77 3d1i s THR 419 Cb -0.10 -3.44 0.16 0.00 1.34 0.00 0.00 72.50 70.46 3d1i s THR 419 CO 0.09 -0.50 1.74 -0.08 -0.54 0.00 0.00 174.62 175.33 3d1i h GLU 420 N -0.38 0.40 -0.53 3.99 4.81 -1.97 -1.37 114.58 119.54 3d1i h GLU 420 Ca -0.45 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 3d1i h GLU 420 Cb 1.26 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3d1i h GLU 420 CO 0.62 0.26 0.21 -0.44 -0.73 0.00 0.00 179.01 178.93 3d1i h ASP 421 N 0.41 0.69 -0.28 1.04 3.32 -1.99 -1.00 116.42 118.61 3d1i h ASP 421 Ca 0.33 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 3d1i h ASP 421 Cb 0.44 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3d1i h ASP 421 CO -0.33 0.62 -0.05 1.56 -1.72 0.00 0.00 179.24 179.32 3d1i h GLN 422 N 0.75 0.52 -0.36 3.56 4.20 -1.78 -0.41 115.11 121.59 3d1i h GLN 422 Ca 0.18 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.71 3d1i h GLN 422 Cb 0.15 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3d1i h GLN 422 CO -0.02 0.72 0.23 0.00 -0.67 0.00 0.00 178.83 179.09 3d1i h ALA 423 N 0.79 0.46 -0.82 3.87 0.00 -0.74 -1.38 119.26 121.44 3d1i h ALA 423 Ca 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3d1i h ALA 423 Cb 0.51 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3d1i h ALA 423 CO 0.02 -0.10 0.52 -0.07 0.00 0.00 0.00 179.25 179.62 3d1i h LEU 424 N 0.47 0.86 -0.74 0.00 3.38 -1.09 -1.69 115.31 116.49 3d1i h LEU 424 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3d1i h LEU 424 Cb -0.03 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3d1i h LEU 424 CO -0.05 0.58 0.44 0.22 0.09 0.00 0.00 178.44 179.72 3d1i h TYR 425 N 1.00 0.99 -0.76 1.13 3.20 -0.70 -0.36 116.97 121.47 3d1i h TYR 425 Ca 0.34 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.22 3d1i h TYR 425 Cb 0.05 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 3d1i h TYR 425 CO -0.03 0.67 0.48 0.00 -1.64 0.00 0.00 178.16 177.65 3d1i h ALA 426 N 1.23 0.98 0.04 1.82 0.00 -0.89 0.07 119.26 122.51 3d1i h ALA 426 Ca 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3d1i h ALA 426 Cb -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3d1i h ALA 426 CO -0.05 0.30 -0.02 0.82 0.00 0.00 0.00 179.25 180.30 3d1i h ILE 427 N 0.95 1.07 -0.09 0.00 2.04 -0.73 -3.05 117.51 117.70 3d1i h ILE 427 Ca 0.30 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 3d1i h ILE 427 Cb -0.01 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3d1i h ILE 427 CO -0.10 0.09 -0.30 0.44 0.00 0.00 0.00 178.15 178.28 3d1i h ASP 428 N -0.22 0.17 -0.28 1.72 3.32 -0.84 -0.93 116.42 119.35 3d1i h ASP 428 Ca -0.01 -0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.03 3d1i h ASP 428 Cb 0.20 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3d1i h ASP 428 CO 0.01 0.47 0.07 0.22 -1.72 0.00 0.00 179.24 178.29 3d1i h TYR 429 N 0.15 0.12 -0.13 4.55 5.03 -0.91 0.41 116.97 126.18 3d1i h TYR 429 Ca 0.02 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 3d1i h TYR 429 Cb 0.61 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.88 3d1i h TYR 429 CO 0.01 0.04 0.00 0.82 -1.32 0.00 0.00 178.16 177.71 3d1i h ILE 430 N 0.18 1.25 -0.84 1.81 2.04 -1.34 -1.83 117.51 118.77 3d1i h ILE 430 Ca 0.13 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3d1i h ILE 430 Cb 0.13 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3d1i h ILE 430 CO -0.16 0.23 0.40 0.11 0.00 0.00 0.00 178.15 178.74 3d1i h LYS 431 N -0.04 1.21 -0.24 2.37 1.57 -1.00 0.14 116.57 120.58 3d1i h LYS 431 Ca 0.04 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3d1i h LYS 431 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3d1i h LYS 431 CO 0.01 0.93 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.89 3d1i h ASN 432 N 1.20 0.43 -0.19 0.86 2.35 -0.16 -0.18 115.58 119.89 3d1i h ASN 432 Ca 0.29 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3d1i h ASN 432 Cb 0.12 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3d1i h ASN 432 CO -0.04 0.65 0.09 0.22 -1.65 0.00 0.00 177.43 176.71 3d1i h TYR 433 N 0.20 0.27 -0.34 1.19 3.20 -1.15 -1.63 116.97 118.71 3d1i h TYR 433 Ca 0.07 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3d1i h TYR 433 Cb 0.44 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3d1i h TYR 433 CO 0.04 0.29 0.19 1.15 -1.64 0.00 0.00 178.16 178.19 3d1i h THR 434 N 0.18 1.13 -0.89 1.81 2.02 -0.62 -2.37 112.91 114.17 3d1i h THR 434 Ca 0.06 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.92 3d1i h THR 434 Cb 0.12 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 3d1i h THR 434 CO -0.01 0.13 0.59 -0.74 0.37 0.00 0.00 175.52 175.87 3d1i h HIS 435 N 0.42 1.12 -0.83 3.16 -0.00 -0.94 -0.32 115.15 117.76 3d1i h HIS 435 Ca 0.12 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.61 3d1i h HIS 435 Cb 0.05 -0.38 -0.07 0.00 -0.00 0.00 0.00 27.41 27.01 3d1i h HIS 435 CO -0.03 0.70 0.48 0.78 -0.00 0.00 0.00 177.93 179.85 3d1i h GLY 436 N 1.20 1.29 1.96 5.26 0.00 -0.97 0.30 103.07 112.11 3d1i h GLY 436 Ca 0.33 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 3d1i h GLY 436 CO -0.08 0.14 -0.57 0.50 0.00 0.00 0.00 176.54 176.53 3d1i h LYS 437 N 0.81 0.04 0.04 4.80 1.79 -0.79 -0.72 116.57 122.53 3d1i h LYS 437 Ca 0.40 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.84 3d1i h LYS 437 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3d1i h LYS 437 CO -0.24 0.60 -0.02 0.82 -1.08 0.00 0.00 179.45 179.53 3d1i h ILE 438 N 0.03 1.06 -0.63 1.86 2.04 -0.50 0.38 117.51 121.75 3d1i h ILE 438 Ca -0.00 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3d1i h ILE 438 Cb 1.02 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 3d1i h ILE 438 CO 0.08 0.08 0.42 0.58 0.00 0.00 0.00 178.15 179.30 3d1i h VAL 439 N -0.19 1.16 -0.64 1.67 2.07 -0.82 0.07 116.25 119.58 3d1i h VAL 439 Ca -0.01 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3d1i h VAL 439 Cb 0.17 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3d1i h VAL 439 CO 0.01 0.16 0.08 0.11 0.02 0.00 0.00 177.57 177.94 3d1i h LYS 440 N 0.85 1.07 -0.74 1.57 1.57 -1.05 -0.18 116.57 119.66 3d1i h LYS 440 Ca 0.23 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3d1i h LYS 440 Cb -0.10 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 3d1i h LYS 440 CO -0.05 0.99 0.48 0.77 -0.57 0.00 0.00 179.45 181.07 3d1i h SER 441 N 0.99 0.81 -0.57 0.86 0.02 -0.40 -1.48 113.55 113.78 3d1i h SER 441 Ca 0.19 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 3d1i h SER 441 Cb 0.46 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3d1i h SER 441 CO 0.02 0.57 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.92 3d1i h GLU 442 N 0.96 1.02 -0.32 3.45 5.08 -0.53 -0.09 114.58 124.15 3d1i h GLU 442 Ca 0.29 -0.34 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3d1i h GLU 442 Cb -0.04 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 3d1i h GLU 442 CO -0.09 1.02 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.98 3d1i h TYR 443 N 0.90 -0.11 -0.26 4.33 3.20 -0.44 0.14 116.97 124.74 3d1i h TYR 443 Ca 0.16 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 3d1i h TYR 443 Cb 0.58 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 3d1i h TYR 443 CO 0.04 -0.11 -0.30 -1.49 -1.64 0.00 0.00 178.16 174.67 3d1i h TRP 444 N 0.04 0.81 -0.59 -3.82 4.06 -1.13 -1.49 115.95 113.82 3d1i h TRP 444 Ca 0.16 -0.25 0.08 0.00 2.06 0.00 0.00 58.89 60.94 3d1i h TRP 444 Cb 0.23 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 28.16 3d1i h TRP 444 CO -0.27 0.99 0.24 -0.07 -3.56 0.00 0.00 178.44 175.77 3d1i h LEU 445 N 0.39 0.28 -0.75 -4.49 3.38 -0.82 -1.52 115.31 111.78 3d1i h LEU 445 Ca 0.04 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3d1i h LEU 445 Cb 0.87 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3d1i h LEU 445 CO 0.07 0.18 0.35 0.00 0.09 0.00 0.00 178.44 179.13 3d1i h ALA 446 N 1.38 0.97 -0.44 1.53 0.00 -0.55 0.14 119.26 122.30 3d1i h ALA 446 Ca 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3d1i h ALA 446 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3d1i h ALA 446 CO -0.26 0.54 0.17 -0.22 0.00 0.00 0.00 179.25 179.47 3d1i h LYS 447 N 1.06 0.66 0.22 0.00 3.64 -0.97 0.74 116.57 121.93 3d1i h LYS 447 Ca 0.26 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3d1i h LYS 447 Cb 0.13 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3d1i h LYS 447 CO -0.03 0.62 -0.11 1.98 -2.27 0.00 0.00 179.45 179.64 3d1i h MET 448 N 0.57 -0.29 -0.69 1.90 4.05 -0.98 -2.77 114.93 116.72 3d1i h MET 448 Ca 0.15 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.66 3d1i h MET 448 Cb 0.21 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 3d1i h MET 448 CO -0.01 -0.13 0.36 0.82 0.23 0.00 0.00 176.91 178.18 3d1i h ILE 449 N -0.39 0.90 0.00 1.77 2.04 -0.48 -0.90 117.51 120.45 3d1i h ILE 449 Ca -0.03 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3d1i h ILE 449 Cb 0.30 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3d1i h ILE 449 CO 0.05 0.12 -0.08 0.44 0.00 0.00 0.00 178.15 178.67 3d1i h ASP 450 N 0.63 0.00 1.31 1.72 3.32 -0.78 -1.85 116.42 120.76 3d1i h ASP 450 Ca 0.33 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 3d1i h ASP 450 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3d1i h ASP 450 CO -0.23 0.08 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.22 3d1i h LEU 451 N 0.00 0.00 0.12 1.55 3.38 -0.87 -3.37 115.31 116.12 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3d1i h LEU 451 CO 0.01 0.09 -0.06 -0.26 0.09 0.00 0.00 178.44 178.31 3d1i h PHE 452 N 0.00 -0.14 -0.87 1.13 -1.00 -1.25 0.17 116.94 114.98 3d1i h PHE 452 Ca -0.00 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.80 3d1i h PHE 452 Cb 0.76 0.05 -0.05 0.00 3.61 0.00 0.00 35.95 40.32 3d1i h PHE 452 CO 0.00 -0.05 0.58 -1.35 -1.61 0.00 0.00 178.31 175.87 3d1i h PRO 453 N -0.20 1.10 -0.02 1.51 0.11 -1.74 0.84 132.00 133.61 3d1i h PRO 453 Ca -0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3d1i h PRO 453 Cb 0.15 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.01 3d1i h PRO 453 CO 0.03 0.73 0.01 0.28 -0.21 0.00 0.00 178.00 178.84 3d1i h VAL 454 N 1.14 1.12 -0.12 3.15 2.07 -1.66 -0.57 116.25 121.37 3d1i h VAL 454 Ca 0.33 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3d1i h VAL 454 Cb -0.06 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3d1i h VAL 454 CO -0.09 0.10 0.05 0.00 0.02 0.00 0.00 177.57 177.65 3d1i h ALA 455 N 0.86 0.14 -0.23 1.67 0.00 -0.42 0.64 119.26 121.91 3d1i h ALA 455 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3d1i h ALA 455 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3d1i h ALA 455 CO -0.00 -0.40 0.12 1.57 0.00 0.00 0.00 179.25 180.54 3d1i h LYS 456 N 0.11 0.24 0.00 0.00 2.10 -0.76 -1.08 116.57 117.19 3d1i h LYS 456 Ca 0.05 -0.01 -0.08 0.00 -2.00 0.00 0.00 60.65 58.61 3d1i h LYS 456 Cb 0.02 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 3d1i h LYS 456 CO -0.04 0.16 -0.37 0.00 -2.00 0.00 0.00 179.45 177.20 3d1i h ARG 457 N 0.25 0.00 0.00 0.07 3.08 -0.90 -2.08 114.38 114.80 3d1i h ARG 457 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3d1i h ARG 457 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3d1i h ARG 457 CO -0.06 0.37 0.00 0.00 -1.07 0.00 0.00 179.97 179.21 3d1i n ALA 458 N -2.40 2.29 -0.47 0.04 0.00 0.20 -4.90 120.51 115.27 3d1i n ALA 458 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3d1i n ALA 458 Cb 0.43 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.11 0.72 3.73 0.00 0.00 -0.78 -4.84 105.19 105.13 3d1i n GLY 459 Ca 0.10 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.47 2.53 -1.95 1.61 0.31 -0.46 -4.90 118.33 112.99 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 0.00 -1.70 0.03 0.00 -0.91 0.00 0.00 33.84 31.26 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 -0.45 5.34 0.45 4.52 1.04 -1.26 -4.79 113.70 118.55 3d1i s SER 461 Ca 0.60 2.08 0.12 0.00 0.48 0.00 0.00 55.95 59.23 3d1i s SER 461 Cb -0.49 -2.56 1.03 0.00 0.10 0.00 0.00 66.02 64.10 3d1i s SER 461 CO 0.59 -1.47 2.05 -0.33 0.98 0.00 0.00 173.24 175.05 3d1i h GLU 462 N 0.49 0.35 -0.68 4.02 4.39 -1.98 -0.30 114.58 120.87 3d1i h GLU 462 Ca -0.48 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3d1i h GLU 462 Cb 1.25 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 3d1i h GLU 462 CO 0.55 0.23 0.44 -0.44 -1.16 0.00 0.00 179.01 178.63 3d1i h ASP 463 N 0.36 0.79 -0.26 1.42 3.32 -1.99 0.30 116.42 120.36 3d1i h ASP 463 Ca 0.17 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 3d1i h ASP 463 Cb 0.22 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3d1i h ASP 463 CO -0.04 0.59 -0.25 0.58 -1.72 0.00 0.00 179.24 178.40 3d1i h VAL 464 N 0.92 1.31 -1.01 -1.35 2.07 -1.68 -1.46 116.25 115.06 3d1i h VAL 464 Ca 0.25 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.40 3d1i h VAL 464 Cb -0.08 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 3d1i h VAL 464 CO -0.05 0.44 0.66 -0.07 0.02 0.00 0.00 177.57 178.57 3d1i h LEU 465 N 0.35 1.10 -0.62 2.57 3.38 -0.81 -0.97 115.31 120.32 3d1i h LEU 465 Ca 0.04 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3d1i h LEU 465 Cb 0.81 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3d1i h LEU 465 CO 0.06 0.75 -0.46 0.78 0.09 0.00 0.00 178.44 179.66 3d1i h ASN 466 N 1.27 0.58 -0.78 -0.43 -0.26 -0.27 0.59 115.58 116.29 3d1i h ASN 466 Ca 0.40 -0.28 0.04 0.00 -0.56 0.00 0.00 56.30 55.90 3d1i h ASN 466 Cb 0.00 -0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 37.05 3d1i h ASN 466 CO -0.13 0.96 0.49 1.56 -1.06 0.00 0.00 177.43 179.25 3d1i h GLN 467 N 0.43 0.92 -0.25 0.81 4.20 -0.71 -1.26 115.11 119.25 3d1i h GLN 467 Ca 0.03 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 3d1i h GLN 467 Cb 0.98 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3d1i h GLN 467 CO 0.09 0.61 -0.36 0.00 -0.67 0.00 0.00 178.83 178.50 3d1i h ALA 468 N 1.34 0.92 -0.19 3.87 0.00 -0.65 -2.46 119.26 122.09 3d1i h ALA 468 Ca 0.32 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3d1i h ALA 468 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3d1i h ALA 468 CO -0.12 0.62 -0.30 0.00 0.00 0.00 0.00 179.25 179.45 3d1i h ARG 469 N 0.46 0.37 -0.67 0.00 3.08 -0.48 0.77 114.38 117.91 3d1i h ARG 469 Ca 0.05 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 3d1i h ARG 469 Cb 0.83 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 3d1i h ARG 469 CO 0.07 0.64 0.10 0.93 -1.07 0.00 0.00 179.97 180.64 3d1i h GLU 470 N 0.33 1.12 -0.34 0.04 4.39 -0.98 -1.93 114.58 117.20 3d1i h GLU 470 Ca 0.04 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 3d1i h GLU 470 Cb 0.70 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3d1i h GLU 470 CO 0.05 1.03 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.64 3d1i h LEU 471 N 1.04 0.66 -0.87 1.33 3.38 -0.97 -2.92 115.31 116.96 3d1i h LEU 471 Ca 0.20 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3d1i h LEU 471 Cb 0.45 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3d1i h LEU 471 CO 0.01 0.87 0.56 -0.74 0.09 0.00 0.00 178.44 179.24 3d1i h HIS 472 N 0.58 1.05 -0.39 1.13 2.76 -0.28 0.18 115.15 120.19 3d1i h HIS 472 Ca 0.09 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 3d1i h HIS 472 Cb 0.68 -0.35 -0.08 0.00 1.55 0.00 0.00 27.41 29.22 3d1i h HIS 472 CO 0.03 0.61 -0.11 -0.92 -1.30 0.00 0.00 177.93 176.24 3d1i h TYR 473 N 1.09 -0.24 -0.20 5.26 5.03 -1.17 0.21 116.97 126.96 3d1i h TYR 473 Ca 0.34 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.55 3d1i h TYR 473 Cb -0.00 0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.45 3d1i h TYR 473 CO -0.02 -0.18 -0.45 -0.44 -1.32 0.00 0.00 178.16 175.75 3d1i h ASP 474 N -0.02 0.73 -0.90 -2.11 3.32 -1.45 -0.48 116.42 115.52 3d1i h ASP 474 Ca 0.19 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3d1i h ASP 474 Cb 0.30 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3d1i h ASP 474 CO -0.41 1.16 0.52 0.00 -1.72 0.00 0.00 179.24 178.80 3d1i h ALA 475 N 0.59 1.23 0.32 3.45 0.00 -0.63 -1.36 119.26 122.85 3d1i h ALA 475 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3d1i h ALA 475 Cb 1.05 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3d1i h ALA 475 CO 0.10 0.65 -0.15 1.25 0.00 0.00 0.00 179.25 181.09 3d1i h HIS 476 N 1.25 -0.40 -0.44 0.00 -0.00 -0.40 -2.89 115.15 112.28 3d1i h HIS 476 Ca 0.32 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.76 3d1i h HIS 476 Cb -0.02 0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 27.45 3d1i h HIS 476 CO 0.01 -0.08 0.03 1.25 -0.00 0.00 0.00 177.93 179.14 3d1i h LEU 477 N -0.73 -0.11 -0.05 0.26 5.85 -0.82 0.16 115.31 119.88 3d1i h LEU 477 Ca -0.04 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3d1i h LEU 477 Cb 0.49 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3d1i h LEU 477 CO 0.07 -0.02 0.00 -1.22 -0.34 0.00 0.00 178.44 176.93 3d1i n TYR 478 N -5.17 0.12 -0.08 1.25 4.01 -0.54 -2.42 117.16 114.34 3d1i n TYR 478 Ca 0.04 0.04 -0.08 0.00 -0.16 0.00 0.00 57.90 57.74 3d1i n TYR 478 Cb 0.22 -0.57 -0.03 0.00 -0.31 0.00 0.00 39.34 38.66 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 -1.60 0.64 0.25 -0.72 -0.00 -0.90 -3.54 117.44 111.56 3d1i n TRP 479 Ca 0.05 0.28 0.11 0.00 -0.00 0.00 0.00 57.50 57.94 3d1i n TRP 479 Cb 0.27 -0.73 0.63 0.00 -0.00 0.00 0.00 31.31 31.48 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 -1.01 5.87 4.81 -0.68 -0.26 114.58 122.30 3d1i h GLU 480 Ca -0.05 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.44 3d1i h GLU 480 Cb 0.75 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.00 3d1i h GLU 480 CO -0.03 0.17 0.60 2.35 -0.73 0.00 0.00 179.01 181.37 3d1i h TRP 481 N 0.00 0.96 0.00 0.92 2.91 -1.69 -0.22 115.95 118.82 3d1i h TRP 481 Ca -0.00 0.03 -0.16 0.00 1.13 0.00 0.00 58.89 59.90 3d1i h TRP 481 Cb 0.44 -0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 28.79 3d1i h TRP 481 CO 0.00 0.02 -1.27 -1.49 -1.03 0.00 0.00 178.44 174.67 3d1i h TRP 482 N 0.51 0.00 0.01 2.65 4.06 -1.33 0.12 115.95 121.97 3d1i h TRP 482 Ca 0.66 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 61.41 3d1i h TRP 482 Cb 1.35 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.50 3d1i h TRP 482 CO -0.01 0.56 -0.91 1.79 -3.56 0.00 0.00 178.44 176.31 3d1i h THR 483 N 0.00 1.54 -0.23 1.49 1.35 -1.50 -3.26 112.91 112.30 3d1i h THR 483 Ca -0.14 -2.79 -0.17 0.00 -0.55 0.00 0.00 66.41 62.77 3d1i h THR 483 Cb 1.55 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 3d1i h THR 483 CO 0.05 0.81 -0.52 0.00 -0.25 0.00 0.00 175.52 175.61 3d1i h ALA 484 N 0.98 0.37 -2.70 6.62 0.00 -1.00 -3.45 119.26 120.09 3d1i h ALA 484 Ca -0.04 -0.50 -0.51 0.00 0.00 0.00 0.00 54.91 53.86 3d1i h ALA 484 Cb 1.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3d1i h ALA 484 CO 0.13 0.56 0.45 -2.00 0.00 0.00 0.00 179.25 178.40 3d1i s GLU 485 N -4.03 4.65 0.00 0.00 -6.30 0.02 -3.13 118.70 109.91 3d1i s GLU 485 Ca -0.11 1.70 0.26 0.00 -2.50 0.00 0.00 54.97 54.32 3d1i s GLU 485 Cb 0.09 -3.26 0.78 0.00 0.00 0.00 0.00 34.13 31.73 3d1i s GLU 485 CO 0.87 0.18 1.59 0.09 0.02 0.00 0.00 175.26 178.01 3d1i n ASN 486 N 1.97 0.45 -0.29 -1.70 3.02 -1.26 -3.99 115.26 113.46 3d1i n ASN 486 Ca 0.01 -0.20 0.13 0.00 -0.03 0.00 0.00 54.58 54.49 3d1i n ASN 486 Cb 0.46 0.04 0.43 0.00 -0.61 0.00 0.00 39.78 40.09 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 -1.34 1.10 -3.93 6.41 3.41 -1.26 -4.93 113.62 113.08 3d1i n SER 487 Ca 0.08 -1.01 -0.27 0.00 -0.26 0.00 0.00 58.87 57.41 3d1i n SER 487 Cb 0.33 0.09 -0.00 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 -2.91 0.00 -3.33 0.31 -1.26 -1.84 118.33 108.82 3d1i n VAL 488 Ca 0.14 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3d1i n VAL 488 Cb 0.35 -2.78 0.00 0.00 -0.91 0.00 0.00 33.84 30.49 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 -1.76 2.42 0.36 2.92 0.00 -1.26 -3.91 105.19 103.95 3d1i n GLY 489 Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 1.07 0.00 1.61 3.57 -1.68 -0.89 116.94 120.61 3d1i h PHE 490 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3d1i h PHE 490 Cb 0.00 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 3d1i h PHE 490 CO 0.00 0.63 -0.05 0.45 -2.23 0.00 0.00 178.31 177.10 3d1i h HIS 491 N 1.11 0.00 -0.20 0.41 3.86 -1.92 -3.36 115.15 115.05 3d1i h HIS 491 Ca 0.35 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.39 3d1i h HIS 491 Cb 0.01 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.33 3d1i h HIS 491 CO -0.00 0.05 -0.39 -1.71 0.86 0.00 0.00 177.93 176.74 3d1i n ASN 492 N -3.94 -2.67 -0.37 2.45 2.85 -0.56 -4.60 115.26 108.42 3d1i n ASN 492 Ca -0.03 -2.85 -0.01 0.00 -0.11 0.00 0.00 54.58 51.59 3d1i n ASN 492 Cb 0.14 1.57 0.13 0.00 1.24 0.00 0.00 39.78 42.86 3d1i n ASN 492 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3d1i h PRO 493 N 4.06 1.27 -0.39 1.20 0.11 -1.38 -0.85 132.00 136.03 3d1i h PRO 493 Ca -0.12 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 65.82 3d1i h PRO 493 Cb 1.08 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 3d1i h PRO 493 CO 0.16 0.84 -0.17 -0.44 -0.21 0.00 0.00 178.00 178.18 3d1i h ASP 494 N 1.30 0.72 -0.20 -2.05 3.32 -1.96 -1.67 116.42 115.88 3d1i h ASP 494 Ca 0.39 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3d1i h ASP 494 Cb -0.07 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 3d1i h ASP 494 CO -0.11 0.89 -0.24 -0.61 -1.72 0.00 0.00 179.24 177.46 3d1i h GLN 495 N 0.64 0.52 -0.45 3.56 4.15 -1.79 -1.66 115.11 120.09 3d1i h GLN 495 Ca 0.10 -0.29 0.08 0.00 0.77 0.00 0.00 58.65 59.31 3d1i h GLN 495 Cb 0.64 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.29 3d1i h GLN 495 CO 0.05 0.88 0.05 0.00 -1.93 0.00 0.00 178.83 177.87 3d1i h ALA 496 N 0.63 0.46 0.03 3.38 0.00 -1.03 -0.30 119.26 122.42 3d1i h ALA 496 Ca 0.03 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3d1i h ALA 496 Cb 0.80 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3d1i h ALA 496 CO 0.06 -0.35 -0.01 -0.09 0.00 0.00 0.00 179.25 178.86 3d1i h ARG 497 N 0.17 -0.03 -0.65 0.00 2.43 -1.20 0.17 114.38 115.27 3d1i h ARG 497 Ca 0.22 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3d1i h ARG 497 Cb 0.30 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3d1i h ARG 497 CO -0.32 0.00 0.39 1.49 -1.51 0.00 0.00 179.97 180.02 3d1i h GLU 498 N -0.06 0.88 -0.01 0.20 4.81 -1.05 -0.87 114.58 118.48 3d1i h GLU 498 Ca -0.00 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3d1i h GLU 498 Cb 0.05 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 3d1i h GLU 498 CO 0.01 0.62 0.00 1.03 -0.73 0.00 0.00 179.01 179.94 3d1i h SER 499 N 0.88 0.01 -0.23 1.04 0.87 -0.79 -1.47 113.55 113.85 3d1i h SER 499 Ca 0.23 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 3d1i h SER 499 Cb -0.03 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3d1i h SER 499 CO -0.04 0.18 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.20 3d1i h LEU 500 N -0.17 0.67 -1.10 2.23 3.38 -0.84 0.14 115.31 119.62 3d1i h LEU 500 Ca 0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3d1i h LEU 500 Cb 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3d1i h LEU 500 CO -0.00 0.85 0.17 0.24 0.09 0.00 0.00 178.44 179.79 3d1i h MET 501 N 0.60 0.81 -0.44 1.13 2.86 -1.07 -1.66 114.93 117.15 3d1i h MET 501 Ca 0.10 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3d1i h MET 501 Cb 0.63 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3d1i h MET 501 CO 0.04 0.70 0.11 1.15 1.06 0.00 0.00 176.91 179.98 3d1i h THR 502 N 0.79 1.23 -0.15 2.22 2.02 -0.11 -0.76 112.91 118.16 3d1i h THR 502 Ca 0.18 -0.81 0.05 0.00 0.77 0.00 0.00 66.41 66.60 3d1i h THR 502 Cb 0.23 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 3d1i h THR 502 CO -0.01 0.29 -0.23 -1.28 0.37 0.00 0.00 175.52 174.65 3d1i h SER 503 N 0.58 -0.72 -0.36 4.18 0.87 -0.42 -0.49 113.55 117.18 3d1i h SER 503 Ca 0.14 0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.86 3d1i h SER 503 Cb 0.32 0.33 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 3d1i h SER 503 CO 0.00 -0.28 0.13 0.40 -0.53 0.00 0.00 176.83 176.55 3d1i h ILE 504 N -0.29 0.89 -0.59 2.23 2.04 -1.20 -0.90 117.51 119.70 3d1i h ILE 504 Ca 0.11 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.96 3d1i h ILE 504 Cb 0.44 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 3d1i h ILE 504 CO -0.31 0.05 0.22 0.28 0.00 0.00 0.00 178.15 178.38 3d1i h SER 505 N 0.28 0.21 -0.23 1.72 0.02 -0.71 0.80 113.55 115.64 3d1i h SER 505 Ca 0.17 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3d1i h SER 505 Cb 0.14 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3d1i h SER 505 CO -0.17 0.13 0.00 0.11 -1.14 0.00 0.00 176.83 175.76 3d1i h LYS 506 N 0.40 0.41 -0.51 3.45 1.79 -0.63 -1.23 116.57 120.24 3d1i h LYS 506 Ca 0.29 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3d1i h LYS 506 Cb 0.35 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 3d1i h LYS 506 CO -0.29 0.59 0.34 0.77 -1.08 0.00 0.00 179.45 179.77 3d1i h SER 507 N 0.18 0.59 -0.79 0.86 0.02 -0.95 -1.31 113.55 112.15 3d1i h SER 507 Ca 0.07 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3d1i h SER 507 Cb 0.40 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 3d1i h SER 507 CO 0.01 0.43 0.50 0.11 -1.14 0.00 0.00 176.83 176.74 3d1i h LYS 508 N 0.70 0.92 -0.36 3.45 1.57 -0.71 0.57 116.57 122.71 3d1i h LYS 508 Ca 0.19 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3d1i h LYS 508 Cb -0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 3d1i h LYS 508 CO -0.04 0.61 0.23 1.49 -0.57 0.00 0.00 179.45 181.17 3d1i h GLU 509 N 0.95 0.45 -0.72 3.15 4.81 -0.79 -1.81 114.58 120.63 3d1i h GLU 509 Ca 0.33 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 3d1i h GLU 509 Cb 0.06 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3d1i h GLU 509 CO -0.13 0.30 0.28 0.00 -0.73 0.00 0.00 179.01 178.73 3d1i h ALA 510 N 1.14 0.93 -0.40 2.92 0.00 -0.71 -1.56 119.26 121.59 3d1i h ALA 510 Ca 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3d1i h ALA 510 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3d1i h ALA 510 CO -0.04 0.56 0.23 0.28 0.00 0.00 0.00 179.25 180.28 3d1i h VAL 511 N 1.03 1.14 -0.31 0.00 2.07 -0.62 -0.18 116.25 119.38 3d1i h VAL 511 Ca 0.24 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3d1i h VAL 511 Cb 0.22 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3d1i h VAL 511 CO -0.02 0.14 0.14 0.28 0.02 0.00 0.00 177.57 178.14 3d1i h SER 512 N 0.52 0.42 -0.22 0.57 0.02 -1.16 0.18 113.55 113.88 3d1i h SER 512 Ca 0.14 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3d1i h SER 512 Cb 0.02 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 3d1i h SER 512 CO -0.03 0.44 -0.06 0.25 -1.14 0.00 0.00 176.83 176.29 3d1i h LEU 513 N 0.36 -0.23 -0.15 5.07 5.85 -1.06 -0.48 115.31 124.67 3d1i h LEU 513 Ca 0.11 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 3d1i h LEU 513 Cb 0.14 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3d1i h LEU 513 CO -0.01 -0.08 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.59 3d1i h LEU 514 N -0.01 0.57 -0.65 2.25 3.38 -0.83 -1.78 115.31 118.24 3d1i h LEU 514 Ca 0.11 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.53 3d1i h LEU 514 Cb 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3d1i h LEU 514 CO -0.24 1.03 0.42 0.78 0.09 0.00 0.00 178.44 180.53 3d1i h ASN 515 N 0.14 0.72 -0.56 -0.43 2.35 -0.56 0.23 115.58 117.46 3d1i h ASN 515 Ca 0.00 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3d1i h ASN 515 Cb 0.95 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 3d1i h ASN 515 CO 0.08 0.51 -0.07 0.44 -1.65 0.00 0.00 177.43 176.73 3d1i h ASP 516 N 0.85 1.04 -0.50 5.81 3.32 -1.06 -0.19 116.42 125.69 3d1i h ASP 516 Ca 0.25 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 3d1i h ASP 516 Cb -0.06 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3d1i h ASP 516 CO -0.07 1.13 -0.04 0.00 -1.72 0.00 0.00 179.24 178.54 3d1i h ALA 517 N 0.96 0.68 -0.23 3.45 0.00 -1.02 -0.97 119.26 122.13 3d1i h ALA 517 Ca 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3d1i h ALA 517 Cb 0.64 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3d1i h ALA 517 CO 0.04 0.53 0.14 0.82 0.00 0.00 0.00 179.25 180.78 3d1i h ILE 518 N 0.78 1.10 -0.92 0.00 2.04 -0.73 -2.17 117.51 117.60 3d1i h ILE 518 Ca 0.14 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3d1i h ILE 518 Cb 0.58 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3d1i h ILE 518 CO 0.03 0.09 0.52 0.44 0.00 0.00 0.00 178.15 179.24 3d1i h ASP 519 N 0.28 1.13 -0.44 1.72 3.32 -0.80 -1.24 116.42 120.39 3d1i h ASP 519 Ca 0.08 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3d1i h ASP 519 Cb 0.03 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3d1i h ASP 519 CO -0.01 0.89 0.22 0.00 -1.72 0.00 0.00 179.24 178.61 3d1i h ALA 520 N 1.30 1.48 -0.28 3.45 0.00 -1.01 0.42 119.26 124.60 3d1i h ALA 520 Ca 0.33 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 3d1i h ALA 520 Cb -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3d1i h ALA 520 CO -0.06 0.41 -0.56 1.96 0.00 0.00 0.00 179.25 181.01 3d1i h GLN 521 N 0.68 0.87 -0.12 0.00 1.08 -0.63 -3.16 115.11 113.82 3d1i h GLN 521 Ca 0.17 -0.56 -0.04 0.00 -1.45 0.00 0.00 58.65 56.77 3d1i h GLN 521 Cb 0.10 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3d1i h GLN 521 CO -0.02 1.19 -0.08 0.28 -0.95 0.00 0.00 178.83 179.26 3d1i h VAL 522 N 0.67 1.33 0.00 -0.54 2.07 -0.98 -3.51 116.25 115.28 3d1i h VAL 522 Ca 0.01 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3d1i h VAL 522 Cb 1.17 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3d1i h VAL 522 CO 0.12 0.33 0.00 0.00 0.02 0.00 0.00 177.57 178.04