#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9j s MET 1 N 0.00 1.10 0.46 1.57 1.00 -1.26 -4.78 119.30 117.38 1r9j s MET 1 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 55.69 54.63 1r9j s MET 1 Cb 0.00 -2.33 -0.10 0.00 0.00 0.00 0.00 34.83 32.40 1r9j s MET 1 CO 0.00 -0.70 0.93 0.00 0.00 0.00 0.00 175.02 175.25 1r9j n ALA 2 N 4.82 -0.05 -1.41 3.03 0.00 -1.20 -4.96 120.51 120.75 1r9j n ALA 2 Ca -0.08 0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 1r9j n ALA 2 Cb 0.45 -2.04 0.09 0.00 0.00 0.00 0.00 19.45 17.95 1r9j n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1r9j s SER 3 N -0.86 4.45 0.43 0.00 1.04 -1.26 -4.84 113.70 112.66 1r9j s SER 3 Ca 0.65 1.53 0.10 0.00 0.48 0.00 0.00 55.95 58.72 1r9j s SER 3 Cb -0.53 -2.28 0.95 0.00 0.10 0.00 0.00 66.02 64.26 1r9j s SER 3 CO 0.55 -2.03 2.04 -0.29 0.98 0.00 0.00 173.24 174.50 1r9j h ILE 4 N -1.13 1.03 -0.36 -1.02 6.09 -2.00 -1.97 117.51 118.15 1r9j h ILE 4 Ca -0.46 -0.16 -0.13 0.00 -1.37 0.00 0.00 64.86 62.75 1r9j h ILE 4 Cb 1.25 0.53 -0.01 0.00 0.47 0.00 0.00 36.82 39.06 1r9j h ILE 4 CO 0.56 0.08 -0.28 -0.08 -3.07 0.00 0.00 178.15 175.36 1r9j h GLU 5 N 0.46 0.76 -0.41 2.19 4.81 -1.99 -1.71 114.58 118.68 1r9j h GLU 5 Ca 0.18 -0.33 -0.12 0.00 -0.13 0.00 0.00 59.36 58.96 1r9j h GLU 5 Cb 0.14 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1r9j h GLU 5 CO -0.04 0.95 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.75 1r9j h LYS 6 N 0.65 0.82 -0.35 1.92 3.64 -1.74 -0.91 116.57 120.60 1r9j h LYS 6 Ca 0.08 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1r9j h LYS 6 Cb 0.80 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1r9j h LYS 6 CO 0.07 0.96 0.17 0.28 -2.27 0.00 0.00 179.45 178.65 1r9j h VAL 7 N 0.71 1.16 -0.64 2.00 2.07 -1.18 -0.93 116.25 119.45 1r9j h VAL 7 Ca 0.10 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1r9j h VAL 7 Cb 0.74 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1r9j h VAL 7 CO 0.06 0.17 0.18 0.00 0.02 0.00 0.00 177.57 178.00 1r9j h ALA 8 N 1.02 0.84 0.00 1.67 0.00 -1.12 -1.18 119.26 120.48 1r9j h ALA 8 Ca 0.12 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1r9j h ALA 8 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1r9j h ALA 8 CO -0.01 0.53 -0.37 -0.91 0.00 0.00 0.00 179.25 178.48 1r9j h ASN 9 N 0.93 0.00 -0.26 0.00 2.35 -1.03 -0.57 115.58 117.00 1r9j h ASN 9 Ca 0.20 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.82 1r9j h ASN 9 Cb 0.32 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1r9j h ASN 9 CO -0.00 0.37 -0.38 0.00 -1.65 0.00 0.00 177.43 175.77 1r9j h ILE 11 N 0.44 1.06 -0.44 0.00 2.04 -0.76 -1.26 117.51 118.59 1r9j h ILE 11 Ca 0.03 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.82 1r9j h ILE 11 Cb 0.97 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 1r9j h ILE 11 CO 0.09 0.06 0.08 0.03 0.00 0.00 0.00 178.15 178.40 1r9j h ARG 12 N 0.19 0.21 -0.28 2.37 3.08 -1.06 -1.30 114.38 117.59 1r9j h ARG 12 Ca 0.06 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 1r9j h ARG 12 Cb 0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1r9j h ARG 12 CO -0.01 0.14 -0.33 0.00 -1.07 0.00 0.00 179.97 178.69 1r9j h LEU 14 N 0.51 0.93 -0.80 0.00 5.85 -0.90 -1.06 115.31 119.84 1r9j h LEU 14 Ca 0.06 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1r9j h LEU 14 Cb 0.82 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1r9j h LEU 14 CO 0.07 1.12 0.40 0.00 -0.34 0.00 0.00 178.44 179.70 1r9j h ALA 15 N 0.83 1.02 -0.58 1.25 0.00 -1.15 0.90 119.26 121.53 1r9j h ALA 15 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1r9j h ALA 15 Cb 0.77 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1r9j h ALA 15 CO 0.06 0.57 0.25 0.00 0.00 0.00 0.00 179.25 180.13 1r9j h ALA 16 N 1.21 0.76 -0.20 0.00 0.00 -1.11 -1.49 119.26 118.43 1r9j h ALA 16 Ca 0.28 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1r9j h ALA 16 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1r9j h ALA 16 CO -0.04 0.36 -0.44 -0.44 0.00 0.00 0.00 179.25 178.69 1r9j h ASP 17 N 0.80 0.52 0.02 0.00 3.32 -0.75 -0.89 116.42 119.44 1r9j h ASP 17 Ca 0.20 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1r9j h ASP 17 Cb 0.18 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1r9j h ASP 17 CO -0.02 0.89 -0.01 0.40 -1.72 0.00 0.00 179.24 178.78 1r9j h ILE 18 N 0.40 1.01 -0.40 0.35 2.04 -0.50 0.24 117.51 120.64 1r9j h ILE 18 Ca 0.03 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1r9j h ILE 18 Cb 0.93 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1r9j h ILE 18 CO 0.08 0.02 0.13 0.58 0.00 0.00 0.00 178.15 178.96 1r9j h VAL 19 N -0.06 1.21 -0.99 1.67 2.07 -1.21 -2.73 116.25 116.22 1r9j h VAL 19 Ca -0.00 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1r9j h VAL 19 Cb 0.06 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1r9j h VAL 19 CO 0.00 0.24 0.65 -0.61 0.02 0.00 0.00 177.57 177.88 1r9j h GLN 20 N 0.50 1.27 0.00 1.57 5.75 -0.94 -2.06 115.11 121.20 1r9j h GLN 20 Ca 0.13 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1r9j h GLN 20 Cb 0.25 -0.29 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 1r9j h GLN 20 CO -0.01 0.84 -0.15 0.78 -2.65 0.00 0.00 178.83 177.65 1r9j h GLY 21 N 1.31 0.00 -0.21 2.39 0.00 -0.26 -2.27 103.07 104.03 1r9j h GLY 21 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1r9j h GLY 21 CO -0.09 0.00 -0.24 0.61 0.00 0.00 0.00 176.54 176.82 1r9j n GLY 22 N -0.56 -0.31 2.29 4.60 0.00 -0.80 -4.89 105.19 105.51 1r9j n GLY 22 Ca -0.02 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1r9j n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r9j n LYS 23 N -0.30 -1.82 -3.55 1.61 5.02 -0.85 -4.86 118.16 113.41 1r9j n LYS 23 Ca 0.13 0.72 -0.09 0.00 -2.02 0.00 0.00 58.31 57.05 1r9j n LYS 23 Cb 0.38 -5.20 -0.03 0.00 -0.02 0.00 0.00 35.03 30.16 1r9j n LYS 23 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1r9j s SER 24 N -2.08 -0.34 0.00 4.39 0.15 -1.21 -4.88 113.70 109.73 1r9j s SER 24 Ca 0.00 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1r9j s SER 24 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1r9j s SER 24 CO 0.00 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1r9j n GLY 25 N 0.22 0.87 3.08 9.45 0.00 -1.26 -4.72 105.19 112.82 1r9j n GLY 25 Ca -0.08 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 1r9j n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r9j s HIS 26 N -0.95 3.36 -0.08 1.61 3.76 -1.26 -1.94 115.29 119.79 1r9j s HIS 26 Ca 0.00 -2.37 0.14 0.00 -0.15 0.00 0.00 55.06 52.68 1r9j s HIS 26 Cb 0.00 -2.15 -0.17 0.00 1.11 0.00 0.00 32.58 31.37 1r9j s HIS 26 CO 0.00 -0.88 0.81 -1.00 -0.85 0.00 0.00 174.74 172.82 1r9j h PRO 27 N 7.79 0.00 -0.03 8.40 0.13 -1.69 -3.41 132.00 143.19 1r9j h PRO 27 Ca -0.17 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1r9j h PRO 27 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1r9j h PRO 27 CO 0.49 0.42 -0.10 0.78 -0.23 0.00 0.00 178.00 179.36 1r9j h GLY 28 N 3.58 -1.50 0.95 1.56 0.00 -0.81 -2.63 103.07 104.23 1r9j h GLY 28 Ca -0.20 0.68 0.02 0.00 0.00 0.00 0.00 47.33 47.83 1r9j h GLY 28 CO 0.07 -0.53 0.50 -0.84 0.00 0.00 0.00 176.54 175.73 1r9j h THR 29 N -0.10 1.16 -0.63 4.70 2.02 -1.82 -0.81 112.91 117.42 1r9j h THR 29 Ca 0.01 -0.34 0.11 0.00 0.77 0.00 0.00 66.41 66.95 1r9j h THR 29 Cb 0.12 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 66.52 1r9j h THR 29 CO -0.08 0.18 0.20 -0.65 0.37 0.00 0.00 175.52 175.54 1r9j h PRO 30 N 1.00 0.34 -0.44 6.66 0.11 -1.77 -1.17 132.00 136.73 1r9j h PRO 30 Ca 0.29 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 1r9j h PRO 30 Cb -0.07 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 1r9j h PRO 30 CO -0.08 0.22 -0.13 0.52 -0.21 0.00 0.00 178.00 178.32 1r9j h MET 31 N 0.35 0.82 -0.05 1.05 2.86 -1.19 -2.91 114.93 115.86 1r9j h MET 31 Ca 0.33 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1r9j h MET 31 Cb 0.47 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1r9j h MET 31 CO -0.37 0.91 -0.36 0.78 1.06 0.00 0.00 176.91 178.93 1r9j h GLY 32 N 0.97 0.10 -2.27 8.32 0.00 -0.72 -3.09 103.07 106.37 1r9j h GLY 32 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1r9j h GLY 32 CO 0.04 0.07 0.00 1.03 0.00 0.00 0.00 176.54 177.69 1r9j n MET 33 N -4.09 2.47 -0.13 4.80 2.81 -0.54 -4.53 117.12 117.92 1r9j n MET 33 Ca -0.02 -2.25 -0.06 0.00 -1.81 0.00 0.00 57.70 53.56 1r9j n MET 33 Cb 0.42 -1.51 0.02 0.00 -0.71 0.00 0.00 33.22 31.44 1r9j n MET 33 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r9j h ALA 34 N 4.36 0.50 -0.04 3.04 0.00 -1.43 -1.56 119.26 124.14 1r9j h ALA 34 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1r9j h ALA 34 Cb 0.91 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1r9j h ALA 34 CO 0.00 -0.16 -0.18 -1.35 0.00 0.00 0.00 179.25 177.56 1r9j h PRO 35 N 0.41 -0.26 -0.86 0.00 0.11 -1.82 0.82 132.00 130.40 1r9j h PRO 35 Ca 0.17 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1r9j h PRO 35 Cb 0.08 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 1r9j h PRO 35 CO -0.12 -0.17 0.46 1.98 -0.21 0.00 0.00 178.00 179.93 1r9j h MET 36 N -0.27 1.20 -0.66 1.05 1.85 -1.79 -2.64 114.93 113.67 1r9j h MET 36 Ca 0.07 -0.15 -0.02 0.00 -0.61 0.00 0.00 59.70 58.98 1r9j h MET 36 Cb 0.36 -0.23 -0.03 0.00 0.43 0.00 0.00 31.60 32.13 1r9j h MET 36 CO -0.20 0.89 0.31 0.77 -0.40 0.00 0.00 176.91 178.29 1r9j h SER 37 N 1.20 0.86 -0.39 1.39 0.02 -0.76 0.27 113.55 116.13 1r9j h SER 37 Ca 0.30 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1r9j h SER 37 Cb 0.05 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1r9j h SER 37 CO -0.05 0.75 0.17 0.00 -1.14 0.00 0.00 176.83 176.57 1r9j h ALA 38 N 1.14 0.48 0.17 3.77 0.00 -0.54 0.22 119.26 124.50 1r9j h ALA 38 Ca 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1r9j h ALA 38 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1r9j h ALA 38 CO -0.03 -0.21 -0.08 0.28 0.00 0.00 0.00 179.25 179.21 1r9j h VAL 39 N 0.35 0.96 -0.24 0.00 2.07 -1.19 -2.17 116.25 116.03 1r9j h VAL 39 Ca 0.17 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1r9j h VAL 39 Cb 0.12 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1r9j h VAL 39 CO -0.15 0.16 0.04 0.25 0.02 0.00 0.00 177.57 177.89 1r9j h LEU 40 N -0.58 -0.01 -0.19 2.57 5.85 -0.79 -0.76 115.31 121.41 1r9j h LEU 40 Ca -0.02 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1r9j h LEU 40 Cb 0.43 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1r9j h LEU 40 CO 0.04 0.03 0.00 -0.50 -0.34 0.00 0.00 178.44 177.67 1r9j h TRP 41 N 0.13 0.00 -0.01 1.25 4.06 -0.63 0.31 115.95 121.05 1r9j h TRP 41 Ca 0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.06 1r9j h TRP 41 Cb 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 1r9j h TRP 41 CO -0.16 0.00 -0.01 0.25 -3.56 0.00 0.00 178.44 174.96 1r9j n THR 42 N -3.03 0.00 0.00 1.49 -2.24 -0.82 -4.83 114.28 104.85 1r9j n THR 42 Ca 0.04 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1r9j n THR 42 Cb 0.49 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1r9j n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r9j n GLU 43 N 0.31 0.17 -0.09 -0.78 1.02 -0.31 -4.71 120.64 116.25 1r9j n GLU 43 Ca 0.04 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 1r9j n GLU 43 Cb 0.16 -0.59 -0.06 0.00 -0.02 0.00 0.00 31.44 30.93 1r9j n GLU 43 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1r9j n VAL 44 N -1.45 1.12 -1.97 2.62 0.31 -1.06 -5.01 118.33 112.89 1r9j n VAL 44 Ca 0.00 -0.21 -0.41 0.00 -0.01 0.00 0.00 64.34 63.70 1r9j n VAL 44 Cb 0.09 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.18 1r9j n VAL 44 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1r9j s MET 45 N -2.39 4.24 -0.39 5.55 0.00 0.11 -4.98 119.30 121.44 1r9j s MET 45 Ca -0.27 2.34 -0.17 0.00 0.00 0.00 0.00 55.69 57.59 1r9j s MET 45 Cb 0.10 -3.11 0.01 0.00 0.00 0.00 0.00 34.83 31.83 1r9j s MET 45 CO 0.34 -0.47 0.45 0.21 0.00 0.00 0.00 175.02 175.55 1r9j s LYS 46 N -0.19 3.35 0.07 4.11 2.20 -1.26 -4.92 119.74 123.10 1r9j s LYS 46 Ca 0.61 -0.51 -0.26 0.00 -0.36 0.00 0.00 55.97 55.45 1r9j s LYS 46 Cb -0.43 -3.89 0.08 0.00 -1.51 0.00 0.00 37.83 32.08 1r9j s LYS 46 CO 0.42 -0.73 0.68 1.52 -0.36 0.00 0.00 175.35 176.88 1r9j s TYR 47 N 2.21 -0.53 -0.27 4.03 -0.85 -1.26 -0.80 117.35 119.89 1r9j s TYR 47 Ca 0.14 0.51 0.03 0.00 -0.52 0.00 0.00 57.07 57.22 1r9j s TYR 47 Cb -0.16 0.52 0.07 0.00 0.38 0.00 0.00 41.96 42.76 1r9j s TYR 47 CO 0.13 -0.72 -0.06 1.21 -1.52 0.00 0.00 175.55 174.59 1r9j s ASN 48 N -2.27 4.36 0.46 -0.18 3.84 -1.26 -4.71 114.94 115.18 1r9j s ASN 48 Ca -0.01 -1.50 0.32 0.00 0.21 0.00 0.00 52.86 51.87 1r9j s ASN 48 Cb -0.01 -1.46 1.63 0.00 -0.55 0.00 0.00 41.25 40.86 1r9j s ASN 48 CO -0.06 -0.24 1.96 0.77 -2.79 0.00 0.00 177.10 176.73 1r9j h SER 49 N 7.79 0.00 0.35 -4.21 4.64 -1.91 0.49 113.55 120.70 1r9j h SER 49 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1r9j h SER 49 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1r9j h SER 49 CO 0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 176.15 1r9j n GLN 50 N -2.64 0.58 -3.09 4.77 1.13 -1.26 -4.28 117.38 112.58 1r9j n GLN 50 Ca -0.01 -0.31 -0.15 0.00 -1.94 0.00 0.00 57.00 54.59 1r9j n GLN 50 Cb 0.10 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.91 1r9j n GLN 50 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1r9j s ASP 51 N -2.63 -0.00 0.15 1.08 -1.08 0.16 -4.99 116.67 109.36 1r9j s ASP 51 Ca 0.22 -2.29 0.14 0.00 -0.52 0.00 0.00 52.55 50.10 1r9j s ASP 51 Cb 0.19 0.78 0.68 0.00 -1.46 0.00 0.00 42.92 43.11 1r9j s ASP 51 CO 0.55 -0.12 1.44 -2.65 0.52 0.00 0.00 175.17 174.91 1r9j n PRO 52 N 3.03 0.08 0.00 4.34 -0.02 -1.21 -2.24 135.00 138.99 1r9j n PRO 52 Ca 0.23 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.31 1r9j n PRO 52 Cb 0.52 -1.72 0.22 0.00 -0.02 0.00 0.00 33.50 32.49 1r9j n PRO 52 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r9j n ASP 53 N -1.89 2.42 -4.65 2.55 8.00 -1.26 -4.90 116.55 116.82 1r9j n ASP 53 Ca 0.01 -1.77 -0.56 0.00 0.71 0.00 0.00 54.79 53.18 1r9j n ASP 53 Cb 0.09 0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.17 1r9j n ASP 53 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1r9j n TRP 54 N 0.82 1.99 0.28 1.24 -0.00 -0.95 -4.82 117.44 116.00 1r9j n TRP 54 Ca 0.15 0.44 0.14 0.00 -0.00 0.00 0.00 57.50 58.23 1r9j n TRP 54 Cb 0.51 -2.49 0.79 0.00 -0.00 0.00 0.00 31.31 30.12 1r9j n TRP 54 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 177.69 177.30 1r9j h VAL 55 N 5.63 0.44 -0.51 5.87 -1.51 -1.92 -2.96 116.25 121.29 1r9j h VAL 55 Ca -0.42 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1r9j h VAL 55 Cb 1.32 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1r9j h VAL 55 CO 0.98 0.08 0.00 -0.67 -1.23 0.00 0.00 177.57 176.73 1r9j n ASP 56 N -3.53 5.16 -4.78 4.19 2.03 -1.26 -4.99 116.55 113.38 1r9j n ASP 56 Ca -0.02 -2.88 -0.34 0.00 0.52 0.00 0.00 54.79 52.07 1r9j n ASP 56 Cb 0.22 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 39.99 1r9j n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r9j s ARG 57 N -2.65 3.26 0.64 -0.67 1.70 -1.12 -4.58 118.95 115.53 1r9j s ARG 57 Ca 0.51 1.48 -0.16 0.00 -0.47 0.00 0.00 55.73 57.09 1r9j s ARG 57 Cb 0.39 -2.00 -0.01 0.00 -0.57 0.00 0.00 34.95 32.75 1r9j s ARG 57 CO 0.15 -0.90 1.12 -0.51 -1.08 0.00 0.00 175.30 174.08 1r9j s ASP 58 N -2.11 5.19 -0.01 -2.89 1.01 0.02 -4.77 116.67 113.11 1r9j s ASP 58 Ca 0.70 2.04 -0.00 0.00 0.71 0.00 0.00 52.55 55.99 1r9j s ASP 58 Cb -0.21 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 1r9j s ASP 58 CO 0.31 -1.57 0.06 -0.13 0.21 0.00 0.00 175.17 174.05 1r9j s ARG 59 N -3.95 3.02 -0.06 8.23 3.00 -0.13 -4.87 118.95 124.20 1r9j s ARG 59 Ca 0.68 -0.49 0.02 0.00 0.00 0.00 0.00 55.73 55.94 1r9j s ARG 59 Cb -0.21 -2.83 0.01 0.00 0.00 0.00 0.00 34.95 31.92 1r9j s ARG 59 CO 0.39 0.65 -0.12 0.12 0.00 0.00 0.00 175.30 176.34 1r9j s PHE 60 N -1.15 1.42 -0.03 -0.53 5.36 -1.26 -0.44 117.98 121.35 1r9j s PHE 60 Ca 0.21 -0.50 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 1r9j s PHE 60 Cb -0.12 -1.03 0.01 0.00 -0.34 0.00 0.00 43.02 41.54 1r9j s PHE 60 CO 0.12 -0.25 -0.08 0.08 -1.46 0.00 0.00 175.22 173.64 1r9j s VAL 61 N 0.57 0.69 -0.77 3.12 1.01 -0.15 -4.49 120.40 120.38 1r9j s VAL 61 Ca -0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1r9j s VAL 61 Cb -0.15 -0.63 0.20 0.00 0.00 0.00 0.00 36.38 35.80 1r9j s VAL 61 CO 0.03 0.23 0.65 -0.32 0.00 0.00 0.00 175.10 175.69 1r9j s MET 62 N 0.35 3.13 0.39 2.72 1.75 -1.26 -0.94 119.30 125.43 1r9j s MET 62 Ca -0.05 -2.69 0.08 0.00 -1.25 0.00 0.00 55.69 51.77 1r9j s MET 62 Cb -0.10 -4.05 0.82 0.00 2.84 0.00 0.00 34.83 34.35 1r9j s MET 62 CO 0.00 -1.23 1.98 1.03 -0.65 0.00 0.00 175.02 176.16 1r9j h SER 63 N 7.06 0.57 -0.87 1.11 0.87 -1.33 -2.75 113.55 118.20 1r9j h SER 63 Ca 0.07 0.00 -0.73 0.00 -1.23 0.00 0.00 61.79 59.90 1r9j h SER 63 Cb 0.95 -0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 62.69 1r9j h SER 63 CO 0.77 0.37 2.61 -0.46 -0.53 0.00 0.00 176.83 179.59 1r9j n ASN 64 N -4.47 6.25 0.18 6.23 2.04 -1.23 -4.52 115.26 119.74 1r9j n ASN 64 Ca 0.09 -2.99 0.18 0.00 -0.44 0.00 0.00 54.58 51.41 1r9j n ASN 64 Cb 0.22 -1.49 0.72 0.00 -2.53 0.00 0.00 39.78 36.69 1r9j n ASN 64 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1r9j h GLY 65 N 7.47 0.00 2.00 4.83 0.00 -1.79 -2.03 103.07 113.55 1r9j h GLY 65 Ca 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.90 1r9j h GLY 65 CO 1.66 0.00 -0.06 1.12 0.00 0.00 0.00 176.54 179.26 1r9j h HIS 66 N 0.00 0.00 -0.42 5.60 2.07 -1.86 -1.00 115.15 119.53 1r9j h HIS 66 Ca 0.13 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.41 1r9j h HIS 66 Cb 1.08 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 30.93 1r9j h HIS 66 CO 0.00 0.06 0.30 0.41 -3.07 0.00 0.00 177.93 175.63 1r9j n GLY 67 N -1.26 3.22 0.15 6.13 0.00 -0.76 -4.22 105.19 108.45 1r9j n GLY 67 Ca -0.03 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.54 1r9j n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9j h ALA 69 N 2.09 1.84 -0.21 0.00 0.00 -1.85 0.20 119.26 121.33 1r9j h ALA 69 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1r9j h ALA 69 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1r9j h ALA 69 CO 0.00 0.14 0.02 1.25 0.00 0.00 0.00 179.25 180.67 1r9j h LEU 70 N 0.31 0.34 -0.82 0.00 5.85 -1.68 -1.00 115.31 118.30 1r9j h LEU 70 Ca 0.09 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1r9j h LEU 70 Cb -0.02 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1r9j h LEU 70 CO -0.02 0.53 -0.07 -0.61 -0.34 0.00 0.00 178.44 177.93 1r9j h GLN 71 N 0.13 0.81 -0.55 1.25 4.15 -1.37 -1.23 115.11 118.31 1r9j h GLN 71 Ca 0.06 -0.25 -0.05 0.00 0.77 0.00 0.00 58.65 59.18 1r9j h GLN 71 Cb 0.34 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1r9j h GLN 71 CO 0.01 0.86 0.14 1.88 -1.93 0.00 0.00 178.83 179.79 1r9j h TYR 72 N 0.74 0.91 -0.60 3.99 0.05 -0.89 0.38 116.97 121.56 1r9j h TYR 72 Ca 0.13 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1r9j h TYR 72 Cb 0.55 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 1r9j h TYR 72 CO 0.03 0.79 0.33 0.00 -1.05 0.00 0.00 178.16 178.26 1r9j h ALA 73 N 1.02 0.77 -0.29 3.88 0.00 -0.92 -1.69 119.26 122.02 1r9j h ALA 73 Ca 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1r9j h ALA 73 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1r9j h ALA 73 CO 0.00 0.28 0.03 -0.07 0.00 0.00 0.00 179.25 179.50 1r9j h LEU 74 N 0.81 0.48 -1.01 0.00 3.38 -0.99 -1.32 115.31 116.66 1r9j h LEU 74 Ca 0.21 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1r9j h LEU 74 Cb 0.04 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1r9j h LEU 74 CO -0.03 0.63 0.66 -0.07 0.09 0.00 0.00 178.44 179.72 1r9j h LEU 75 N 0.31 1.13 0.09 1.67 3.38 -0.75 -0.36 115.31 120.78 1r9j h LEU 75 Ca 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1r9j h LEU 75 Cb 0.37 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1r9j h LEU 75 CO 0.01 0.80 -0.04 -0.74 0.09 0.00 0.00 178.44 178.55 1r9j h HIS 76 N 1.32 -0.11 -0.42 1.13 2.76 -1.14 -1.27 115.15 117.42 1r9j h HIS 76 Ca 0.38 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.57 1r9j h HIS 76 Cb -0.09 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 1r9j h HIS 76 CO -0.00 0.26 0.28 0.52 -1.30 0.00 0.00 177.93 177.69 1r9j h MET 77 N -0.51 0.48 0.00 5.26 2.86 -1.06 -0.91 114.93 121.06 1r9j h MET 77 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1r9j h MET 77 Cb 0.42 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1r9j h MET 77 CO 0.02 0.32 0.00 0.00 1.06 0.00 0.00 176.91 178.31 1r9j h ALA 78 N 1.75 1.00 0.00 6.32 0.00 -0.98 -3.45 119.26 123.89 1r9j h ALA 78 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1r9j h ALA 78 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r9j h ALA 78 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1r9j n GLY 79 N 0.35 1.02 3.59 0.00 0.00 -0.34 -4.69 105.19 105.13 1r9j n GLY 79 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1r9j n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r9j s TYR 80 N -2.00 1.74 -1.22 1.61 1.51 -0.51 -4.71 117.35 113.78 1r9j s TYR 80 Ca 0.00 1.17 -0.12 0.00 -1.01 0.00 0.00 57.07 57.11 1r9j s TYR 80 Cb 0.00 -3.18 -0.06 0.00 -0.11 0.00 0.00 41.96 38.61 1r9j s TYR 80 CO 0.00 -3.30 2.34 -1.71 -1.11 0.00 0.00 175.55 171.77 1r9j n ASN 81 N -4.50 5.25 -3.51 2.29 2.85 -1.26 -4.68 115.26 111.71 1r9j n ASN 81 Ca 0.05 -2.59 -0.23 0.00 -0.11 0.00 0.00 54.58 51.70 1r9j n ASN 81 Cb 0.55 -1.36 -0.14 0.00 1.24 0.00 0.00 39.78 40.07 1r9j n ASN 81 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1r9j s LEU 82 N 0.84 0.16 0.86 1.20 2.96 -1.26 -4.76 118.68 118.69 1r9j s LEU 82 Ca 0.53 -0.79 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 1r9j s LEU 82 Cb 0.14 0.05 0.14 0.00 0.50 0.00 0.00 46.19 47.02 1r9j s LEU 82 CO -0.02 -0.39 1.22 0.42 -1.32 0.00 0.00 176.35 176.26 1r9j s THR 83 N 2.22 2.04 0.43 3.68 -4.23 -1.26 -4.53 115.64 113.99 1r9j s THR 83 Ca 0.07 -0.08 0.19 0.00 -1.18 0.00 0.00 61.69 60.70 1r9j s THR 83 Cb -0.15 -2.97 0.22 0.00 1.34 0.00 0.00 72.50 70.94 1r9j s THR 83 CO -0.25 0.00 2.00 -0.03 -0.54 0.00 0.00 174.62 175.80 1r9j h MET 84 N -1.25 0.00 -0.51 3.99 4.05 -1.99 -1.71 114.93 117.52 1r9j h MET 84 Ca -0.44 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 58.86 1r9j h MET 84 Cb 1.28 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 1r9j h MET 84 CO 0.50 0.18 -0.12 -0.44 0.23 0.00 0.00 176.91 177.26 1r9j h ASP 85 N 0.00 0.98 -0.62 1.39 3.32 -1.99 -1.63 116.42 117.88 1r9j h ASP 85 Ca -0.00 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.71 1r9j h ASP 85 Cb 0.37 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1r9j h ASP 85 CO 0.02 1.12 0.39 0.44 -1.72 0.00 0.00 179.24 179.49 1r9j h ASP 86 N 0.84 0.65 -0.85 6.45 3.32 -1.68 -1.99 116.42 123.16 1r9j h ASP 86 Ca 0.13 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1r9j h ASP 86 Cb 0.69 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1r9j h ASP 86 CO 0.05 0.46 0.47 -0.07 -1.72 0.00 0.00 179.24 178.43 1r9j h LEU 87 N 0.78 1.07 -0.74 1.55 3.38 -1.17 -0.97 115.31 119.21 1r9j h LEU 87 Ca 0.24 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1r9j h LEU 87 Cb -0.02 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1r9j h LEU 87 CO -0.08 0.86 0.00 0.29 0.09 0.00 0.00 178.44 179.60 1r9j n LYS 88 N -4.34 0.21 -0.32 1.13 5.02 -0.64 -2.27 118.16 116.95 1r9j n LYS 88 Ca 0.09 0.43 0.08 0.00 -2.02 0.00 0.00 58.31 56.89 1r9j n LYS 88 Cb 0.10 -1.90 0.25 0.00 -0.02 0.00 0.00 35.03 33.46 1r9j n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r9j n GLY 89 N 0.03 1.67 3.59 0.72 0.00 -0.37 -4.74 105.19 106.09 1r9j n GLY 89 Ca 0.02 -0.60 -0.55 0.00 0.00 0.00 0.00 46.02 44.89 1r9j n GLY 89 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1r9j n PHE 90 N 1.01 1.40 -2.22 1.61 7.35 -0.96 -0.87 117.46 124.77 1r9j n PHE 90 Ca 0.18 0.75 -0.18 0.00 -0.76 0.00 0.00 57.45 57.44 1r9j n PHE 90 Cb 0.52 -2.29 -0.02 0.00 0.35 0.00 0.00 39.48 38.04 1r9j n PHE 90 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1r9j n ARG 91 N 2.75 -1.76 -4.35 -4.13 1.74 0.08 -4.32 116.66 106.67 1r9j n ARG 91 Ca 0.20 0.92 -0.28 0.00 -0.77 0.00 0.00 57.85 57.93 1r9j n ARG 91 Cb 0.14 -5.50 -0.11 0.00 -1.02 0.00 0.00 32.46 25.97 1r9j n ARG 91 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1r9j s GLN 92 N -4.71 1.73 -0.31 5.56 -0.21 -0.05 -4.93 119.66 116.74 1r9j s GLN 92 Ca 0.00 -1.33 -0.43 0.00 0.02 0.00 0.00 55.36 53.63 1r9j s GLN 92 Cb 0.00 -2.02 -0.18 0.00 1.00 0.00 0.00 33.01 31.81 1r9j s GLN 92 CO 0.00 0.44 1.57 -3.47 -2.12 0.00 0.00 175.29 171.71 1r9j n ASP 93 N 0.45 1.54 -0.19 5.90 2.03 -1.26 -1.97 116.55 123.05 1r9j n ASP 93 Ca -0.14 1.14 -0.02 0.00 0.52 0.00 0.00 54.79 56.29 1r9j n ASP 93 Cb 0.54 -1.01 -0.01 0.00 -0.72 0.00 0.00 41.12 39.93 1r9j n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r9j n GLY 94 N 3.67 0.45 3.89 0.27 0.00 -1.26 -5.02 105.19 107.19 1r9j n GLY 94 Ca 0.27 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1r9j n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r9j s SER 95 N -2.19 5.38 -0.02 1.61 1.04 -0.83 -4.94 113.70 113.75 1r9j s SER 95 Ca 0.00 0.97 0.09 0.00 0.48 0.00 0.00 55.95 57.49 1r9j s SER 95 Cb 0.00 -1.79 0.28 0.00 0.10 0.00 0.00 66.02 64.62 1r9j s SER 95 CO 0.00 -1.33 1.19 0.54 0.98 0.00 0.00 173.24 174.62 1r9j n ARG 96 N -2.93 1.85 -3.31 4.02 1.74 -1.26 -4.36 116.66 112.41 1r9j n ARG 96 Ca 0.06 -1.14 -0.25 0.00 -0.77 0.00 0.00 57.85 55.76 1r9j n ARG 96 Cb 0.58 -1.33 -0.08 0.00 -1.02 0.00 0.00 32.46 30.61 1r9j n ARG 96 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1r9j n THR 97 N 0.38 0.40 -1.27 0.55 -2.24 -1.26 -4.46 114.28 106.37 1r9j n THR 97 Ca 0.10 -4.41 -0.29 0.00 -2.27 0.00 0.00 64.05 57.18 1r9j n THR 97 Cb 0.32 -1.99 0.14 0.00 -2.10 0.00 0.00 70.33 66.69 1r9j n THR 97 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1r9j s PRO 98 N -1.54 1.22 0.58 -0.78 0.04 -1.26 -0.74 135.00 132.51 1r9j s PRO 98 Ca 0.36 0.70 0.30 0.00 0.04 0.00 0.00 61.00 62.40 1r9j s PRO 98 Cb 0.14 -1.81 1.45 0.00 0.04 0.00 0.00 34.50 34.32 1r9j s PRO 98 CO -0.09 -2.24 1.86 0.78 0.04 0.00 0.00 177.00 177.36 1r9j h GLY 99 N -1.54 0.00 -5.15 0.56 0.00 -1.95 -3.41 103.07 91.58 1r9j h GLY 99 Ca -0.50 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.64 1r9j h GLY 99 CO 0.56 0.00 -0.66 0.30 0.00 0.00 0.00 176.54 176.74 1r9j s HIS 100 N -4.72 0.12 -0.17 5.60 3.76 -1.26 -4.71 115.29 113.92 1r9j s HIS 100 Ca -0.04 -0.25 -0.39 0.00 -0.15 0.00 0.00 55.06 54.23 1r9j s HIS 100 Cb 0.17 -0.10 -0.16 0.00 1.11 0.00 0.00 32.58 33.61 1r9j s HIS 100 CO 0.61 -0.14 1.64 -2.30 -0.85 0.00 0.00 174.74 173.71 1r9j n PRO 101 N 2.11 1.19 -4.10 8.40 -0.02 -1.26 -4.88 135.00 136.45 1r9j n PRO 101 Ca -0.19 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 1r9j n PRO 101 Cb 0.57 -2.11 -0.16 0.00 -0.02 0.00 0.00 33.50 31.77 1r9j n PRO 101 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1r9j s GLU 102 N 2.75 2.86 0.29 -0.52 2.02 -1.26 -1.82 118.70 123.01 1r9j s GLU 102 Ca 0.94 -0.82 -0.29 0.00 0.02 0.00 0.00 54.97 54.82 1r9j s GLU 102 Cb -1.02 -2.53 -0.13 0.00 0.10 0.00 0.00 34.13 30.55 1r9j s GLU 102 CO 0.60 -0.23 1.28 -2.13 0.02 0.00 0.00 175.26 174.79 1r9j n ARG 103 N 4.63 1.94 0.00 1.61 0.63 -1.26 -1.99 116.66 122.22 1r9j n ARG 103 Ca -0.20 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 1r9j n ARG 103 Cb 0.50 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1r9j n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1r9j n PHE 104 N 0.86 0.00 0.07 -0.14 0.99 -1.26 -4.72 117.46 113.26 1r9j n PHE 104 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.46 1r9j n PHE 104 Cb 0.34 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 38.88 1r9j n PHE 104 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1r9j h VAL 105 N 0.00 1.41 -3.74 -4.37 2.07 -1.78 -3.44 116.25 106.39 1r9j h VAL 105 Ca 0.00 -2.18 -0.56 0.00 0.82 0.00 0.00 66.70 64.78 1r9j h VAL 105 Cb 0.00 2.14 -0.32 0.00 -1.52 0.00 0.00 31.29 31.59 1r9j h VAL 105 CO 0.00 0.64 -0.84 -0.89 0.02 0.00 0.00 177.57 176.51 1r9j s THR 106 N -3.59 1.41 0.30 2.57 2.01 -1.19 -4.73 115.64 112.43 1r9j s THR 106 Ca -0.04 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 1r9j s THR 106 Cb 0.11 -1.23 -0.10 0.00 0.01 0.00 0.00 72.50 71.29 1r9j s THR 106 CO 0.82 0.41 1.43 -2.84 -0.69 0.00 0.00 174.62 173.75 1r9j s PRO 107 N 0.20 4.24 0.00 4.92 0.02 -1.26 -2.66 135.00 140.47 1r9j s PRO 107 Ca -0.08 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1r9j s PRO 107 Cb -0.13 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1r9j s PRO 107 CO 0.03 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 1r9j n GLY 108 N 1.44 0.99 3.58 0.52 0.00 -1.26 -4.93 105.19 105.53 1r9j n GLY 108 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1r9j n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r9j s VAL 109 N -3.18 5.19 0.06 1.61 1.01 -1.09 -4.92 120.40 119.08 1r9j s VAL 109 Ca 0.00 0.30 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 1r9j s VAL 109 Cb 0.00 -3.73 -0.28 0.00 0.00 0.00 0.00 36.38 32.37 1r9j s VAL 109 CO 0.00 0.06 1.12 -0.33 0.00 0.00 0.00 175.10 175.96 1r9j h GLU 110 N 8.32 0.62 -4.24 2.72 4.39 -1.90 -3.39 114.58 121.09 1r9j h GLU 110 Ca -0.31 -0.80 -0.17 0.00 0.34 0.00 0.00 59.36 58.41 1r9j h GLU 110 Cb 1.16 0.26 -0.13 0.00 -0.10 0.00 0.00 28.75 29.94 1r9j h GLU 110 CO 0.65 1.36 -0.46 0.14 -1.16 0.00 0.00 179.01 179.54 1r9j s VAL 111 N -3.02 0.02 -0.19 3.13 -7.23 -1.26 -4.89 120.40 106.96 1r9j s VAL 111 Ca -0.09 -1.76 -0.15 0.00 -1.81 0.00 0.00 61.98 58.17 1r9j s VAL 111 Cb 0.06 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1r9j s VAL 111 CO 0.93 -0.11 0.34 -0.89 -0.31 0.00 0.00 175.10 175.06 1r9j s THR 112 N -4.08 5.25 0.41 5.32 2.01 -1.26 -4.11 115.64 119.18 1r9j s THR 112 Ca 0.30 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.90 1r9j s THR 112 Cb 0.05 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.88 1r9j s THR 112 CO 0.08 0.30 0.00 0.35 -0.69 0.00 0.00 174.62 174.67 1r9j n THR 113 N 4.11 0.00 0.00 -0.82 -2.24 -0.76 -4.88 114.28 109.69 1r9j n THR 113 Ca -0.10 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 59.72 1r9j n THR 113 Cb 0.51 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1r9j n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r9j n GLY 114 N 0.04 2.72 3.64 3.38 0.00 -1.26 -4.21 105.19 109.50 1r9j n GLY 114 Ca -0.17 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1r9j n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1r9j s PRO 115 N 0.00 3.95 0.44 1.61 0.02 -1.26 -4.77 135.00 134.99 1r9j s PRO 115 Ca 0.00 1.66 -0.24 0.00 0.02 0.00 0.00 61.00 62.44 1r9j s PRO 115 Cb 0.00 -3.95 -0.10 0.00 0.02 0.00 0.00 34.50 30.47 1r9j s PRO 115 CO 0.00 -1.09 1.15 1.28 -0.33 0.00 0.00 177.00 178.01 1r9j n LEU 116 N 7.78 3.49 0.00 -5.54 4.77 -1.26 -2.97 117.00 123.27 1r9j n LEU 116 Ca 0.17 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 1r9j n LEU 116 Cb 0.45 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1r9j n LEU 116 CO 0.63 -1.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.24 1r9j n GLY 117 N 0.99 3.03 0.29 -0.72 0.00 -1.26 -4.89 105.19 102.64 1r9j n GLY 117 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1r9j n GLY 117 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1r9j h GLN 118 N 1.07 1.00 -0.42 1.61 1.08 -1.85 -2.99 115.11 114.62 1r9j h GLN 118 Ca 0.00 -0.26 0.05 0.00 -1.45 0.00 0.00 58.65 56.99 1r9j h GLN 118 Cb 0.00 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.26 1r9j h GLN 118 CO 0.00 0.93 0.15 0.78 -0.95 0.00 0.00 178.83 179.74 1r9j h GLY 119 N 0.91 0.54 0.85 3.46 0.00 -1.80 0.12 103.07 107.15 1r9j h GLY 119 Ca 0.19 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.46 1r9j h GLY 119 CO 0.01 0.03 0.23 -2.22 0.00 0.00 0.00 176.54 174.58 1r9j h ILE 120 N 0.31 1.01 -0.63 2.60 1.08 -1.88 0.08 117.51 120.08 1r9j h ILE 120 Ca 0.19 -0.16 -0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1r9j h ILE 120 Cb 0.18 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 1r9j h ILE 120 CO -0.20 0.08 0.22 0.00 -0.69 0.00 0.00 178.15 177.57 1r9j h ALA 121 N 1.20 0.83 -0.49 1.87 0.00 -1.29 -1.83 119.26 119.55 1r9j h ALA 121 Ca 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1r9j h ALA 121 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1r9j h ALA 121 CO -0.10 0.48 0.32 -0.91 0.00 0.00 0.00 179.25 179.04 1r9j h ASN 122 N 0.90 0.55 -0.57 0.00 -0.26 -0.32 -2.18 115.58 113.71 1r9j h ASN 122 Ca 0.21 -0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.96 1r9j h ASN 122 Cb 0.26 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.35 1r9j h ASN 122 CO -0.01 0.40 0.38 0.00 -1.06 0.00 0.00 177.43 177.14 1r9j h ALA 123 N 1.18 1.68 -0.55 -0.83 0.00 -0.55 0.66 119.26 120.86 1r9j h ALA 123 Ca 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1r9j h ALA 123 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1r9j h ALA 123 CO -0.04 0.26 0.01 0.28 0.00 0.00 0.00 179.25 179.76 1r9j h VAL 124 N 0.69 1.25 -0.47 0.00 2.07 -0.74 -0.24 116.25 118.80 1r9j h VAL 124 Ca 0.22 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 1r9j h VAL 124 Cb 0.05 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1r9j h VAL 124 CO -0.06 0.38 -0.17 1.23 0.02 0.00 0.00 177.57 178.98 1r9j h GLY 125 N 1.00 1.00 1.11 2.17 0.00 -0.52 -0.57 103.07 107.26 1r9j h GLY 125 Ca 0.16 -0.83 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 1r9j h GLY 125 CO 0.02 0.76 0.09 1.41 0.00 0.00 0.00 176.54 178.83 1r9j h LEU 126 N 0.81 1.04 -0.69 3.11 3.38 -0.61 -1.70 115.31 120.64 1r9j h LEU 126 Ca 0.12 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1r9j h LEU 126 Cb 0.72 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1r9j h LEU 126 CO 0.05 1.03 -0.42 0.00 0.09 0.00 0.00 178.44 179.20 1r9j h ALA 127 N 1.08 0.86 -0.22 1.53 0.00 -0.80 -2.41 119.26 119.31 1r9j h ALA 127 Ca 0.20 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1r9j h ALA 127 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1r9j h ALA 127 CO 0.01 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.72 1r9j h ILE 128 N 0.43 1.26 -0.65 0.00 2.04 -0.89 -2.20 117.51 117.50 1r9j h ILE 128 Ca 0.03 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.05 1r9j h ILE 128 Cb 0.91 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 1r9j h ILE 128 CO 0.08 0.28 0.37 0.00 0.00 0.00 0.00 178.15 178.87 1r9j h ALA 129 N 0.79 0.86 -0.29 1.87 0.00 -1.21 0.01 119.26 121.30 1r9j h ALA 129 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1r9j h ALA 129 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1r9j h ALA 129 CO 0.01 0.07 0.12 1.49 0.00 0.00 0.00 179.25 180.94 1r9j h GLU 130 N 0.70 0.42 -0.67 0.00 4.22 -1.38 0.16 114.58 118.03 1r9j h GLU 130 Ca 0.28 -0.07 -0.04 0.00 0.08 0.00 0.00 59.36 59.61 1r9j h GLU 130 Cb 0.14 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1r9j h GLU 130 CO -0.16 0.43 0.24 0.00 -2.18 0.00 0.00 179.01 177.34 1r9j h ALA 131 N 0.97 1.17 -0.13 2.92 0.00 -1.01 -0.65 119.26 122.53 1r9j h ALA 131 Ca 0.10 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1r9j h ALA 131 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1r9j h ALA 131 CO -0.01 0.59 -0.35 1.25 0.00 0.00 0.00 179.25 180.73 1r9j h HIS 132 N 0.97 0.61 -0.34 0.00 -0.00 -0.79 -2.33 115.15 113.27 1r9j h HIS 132 Ca 0.22 -0.24 -0.07 0.00 -0.00 0.00 0.00 60.37 60.28 1r9j h HIS 132 Cb 0.22 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1r9j h HIS 132 CO 0.02 0.97 -0.10 -0.07 -0.00 0.00 0.00 177.93 178.75 1r9j h LEU 133 N 0.08 0.56 -0.28 0.26 3.38 -0.86 -0.72 115.31 117.72 1r9j h LEU 133 Ca -0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1r9j h LEU 133 Cb 0.96 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1r9j h LEU 133 CO 0.08 0.70 -0.01 0.00 0.09 0.00 0.00 178.44 179.29 1r9j h ALA 134 N 1.36 0.38 0.00 1.53 0.00 -1.11 0.22 119.26 121.64 1r9j h ALA 134 Ca 0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1r9j h ALA 134 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1r9j h ALA 134 CO 0.03 0.13 -0.29 0.00 0.00 0.00 0.00 179.25 179.12 1r9j h ALA 135 N 0.82 1.48 0.13 0.00 0.00 -1.16 -0.30 119.26 120.24 1r9j h ALA 135 Ca 0.08 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 1r9j h ALA 135 Cb 0.45 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1r9j h ALA 135 CO 0.02 0.37 -0.94 1.15 0.00 0.00 0.00 179.25 179.84 1r9j h THR 136 N 0.00 1.41 0.00 0.00 2.02 -0.88 -3.42 112.91 112.04 1r9j h THR 136 Ca -0.00 -2.51 -0.23 0.00 0.77 0.00 0.00 66.41 64.44 1r9j h THR 136 Cb 0.53 3.09 -0.04 0.00 -1.74 0.00 0.00 68.15 69.99 1r9j h THR 136 CO 0.04 0.71 -2.24 0.49 0.37 0.00 0.00 175.52 174.89 1r9j n PHE 137 N -4.09 0.00 -1.98 3.16 3.01 0.04 -4.99 117.46 112.62 1r9j n PHE 137 Ca -0.16 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.90 1r9j n PHE 137 Cb 0.84 -0.81 -0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1r9j n PHE 137 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1r9j s ASN 138 N -5.12 6.28 0.13 4.37 0.01 -0.13 -4.90 114.94 115.58 1r9j s ASN 138 Ca -0.09 2.76 0.03 0.00 -0.71 0.00 0.00 52.86 54.85 1r9j s ASN 138 Cb 0.09 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 1r9j s ASN 138 CO 0.86 -0.89 -0.08 -0.13 -1.51 0.00 0.00 177.10 175.35 1r9j s ARG 139 N -2.22 0.97 -0.07 -0.60 1.81 -0.87 -4.94 118.95 113.03 1r9j s ARG 139 Ca 0.56 -1.41 -0.36 0.00 -1.72 0.00 0.00 55.73 52.80 1r9j s ARG 139 Cb -0.40 -0.44 -0.14 0.00 -0.45 0.00 0.00 34.95 33.52 1r9j s ARG 139 CO 0.53 0.03 1.73 -2.30 -0.68 0.00 0.00 175.30 174.61 1r9j n PRO 140 N -0.14 1.80 -0.06 3.54 -0.02 -1.26 0.32 135.00 139.18 1r9j n PRO 140 Ca -0.11 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1r9j n PRO 140 Cb 0.61 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1r9j n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r9j n GLY 141 N 3.97 2.34 2.83 -1.23 0.00 -1.26 -4.95 105.19 106.89 1r9j n GLY 141 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1r9j n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r9j s TYR 142 N -2.87 3.00 -1.26 1.61 1.51 0.15 -5.00 117.35 114.48 1r9j s TYR 142 Ca 0.00 -3.07 -0.09 0.00 -1.01 0.00 0.00 57.07 52.90 1r9j s TYR 142 Cb 0.00 -2.44 0.18 0.00 -0.11 0.00 0.00 41.96 39.59 1r9j s TYR 142 CO 0.00 -0.66 1.83 -1.71 -1.11 0.00 0.00 175.55 173.91 1r9j n ASN 143 N 2.57 5.18 0.11 2.29 5.15 -1.26 -2.05 115.26 127.25 1r9j n ASN 143 Ca 0.15 -3.12 0.13 0.00 -0.60 0.00 0.00 54.58 51.14 1r9j n ASN 143 Cb 0.35 -1.47 0.41 0.00 -0.53 0.00 0.00 39.78 38.55 1r9j n ASN 143 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1r9j n ILE 144 N 3.26 0.65 -3.94 -1.44 -5.35 -1.26 -4.56 119.36 106.71 1r9j n ILE 144 Ca 0.39 -0.22 -0.30 0.00 -0.27 0.00 0.00 62.75 62.35 1r9j n ILE 144 Cb 0.36 -0.68 -0.16 0.00 -1.74 0.00 0.00 39.64 37.43 1r9j n ILE 144 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1r9j s VAL 145 N -3.14 1.54 -0.32 7.28 1.01 -1.26 -4.88 120.40 120.62 1r9j s VAL 145 Ca 0.10 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1r9j s VAL 145 Cb 0.12 -1.78 0.19 0.00 0.00 0.00 0.00 36.38 34.90 1r9j s VAL 145 CO 0.57 -0.08 0.74 -0.62 0.00 0.00 0.00 175.10 175.71 1r9j s ASP 146 N 1.40 -1.23 0.09 3.32 2.15 -1.26 -4.69 116.67 116.45 1r9j s ASP 146 Ca -0.05 -0.07 -0.19 0.00 0.43 0.00 0.00 52.55 52.67 1r9j s ASP 146 Cb -0.19 1.71 0.04 0.00 -0.30 0.00 0.00 42.92 44.19 1r9j s ASP 146 CO -0.06 -0.20 0.45 -1.38 -0.17 0.00 0.00 175.17 173.81 1r9j s HIS 147 N 2.59 -0.31 0.27 -5.34 -3.43 -1.26 -4.94 115.29 102.87 1r9j s HIS 147 Ca 0.16 0.15 0.05 0.00 -0.80 0.00 0.00 55.06 54.61 1r9j s HIS 147 Cb -0.06 0.30 -0.03 0.00 -1.43 0.00 0.00 32.58 31.37 1r9j s HIS 147 CO -0.21 -0.68 0.40 0.71 -2.00 0.00 0.00 174.74 172.97 1r9j s TYR 148 N -3.18 3.41 -0.27 0.38 2.02 -1.26 -4.95 117.35 113.50 1r9j s TYR 148 Ca -0.01 0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 1r9j s TYR 148 Cb 0.00 -1.67 0.06 0.00 -0.40 0.00 0.00 41.96 39.95 1r9j s TYR 148 CO -0.08 0.33 -0.08 0.99 -1.57 0.00 0.00 175.55 175.15 1r9j s THR 149 N -2.06 2.39 -0.16 -0.71 2.01 -0.37 -0.95 115.64 115.79 1r9j s THR 149 Ca 0.36 -1.59 -0.08 0.00 0.31 0.00 0.00 61.69 60.69 1r9j s THR 149 Cb -0.09 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1r9j s THR 149 CO 0.30 -0.06 0.13 -0.31 -0.69 0.00 0.00 174.62 173.99 1r9j s TYR 150 N 1.14 3.48 -0.07 4.92 2.02 0.42 -0.63 117.35 128.62 1r9j s TYR 150 Ca -0.08 0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 57.00 1r9j s TYR 150 Cb -0.20 -2.04 0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1r9j s TYR 150 CO -0.04 0.50 0.14 0.54 -1.57 0.00 0.00 175.55 175.12 1r9j s VAL 151 N -0.33 -0.15 0.20 0.71 0.11 -0.72 -0.98 120.40 119.24 1r9j s VAL 151 Ca 0.11 0.28 -0.18 0.00 -2.93 0.00 0.00 61.98 59.26 1r9j s VAL 151 Cb -0.12 -0.25 -0.08 0.00 -1.53 0.00 0.00 36.38 34.41 1r9j s VAL 151 CO 0.01 0.12 0.67 -0.31 -3.33 0.00 0.00 175.10 172.26 1r9j s TYR 152 N 1.73 3.65 0.09 1.54 1.51 -0.12 -0.68 117.35 125.06 1r9j s TYR 152 Ca -0.03 1.31 -0.18 0.00 -1.01 0.00 0.00 57.07 57.16 1r9j s TYR 152 Cb -0.12 -2.55 0.04 0.00 -0.11 0.00 0.00 41.96 39.22 1r9j s TYR 152 CO -0.05 0.37 0.42 0.00 -1.11 0.00 0.00 175.55 175.18 1r9j n GLY 154 N 0.10 4.07 0.35 0.00 0.00 -1.26 -1.02 105.19 107.43 1r9j n GLY 154 Ca -0.17 -2.13 0.04 0.00 0.00 0.00 0.00 46.02 43.76 1r9j n GLY 154 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1r9j h ASP 155 N 0.19 0.92 -0.68 1.61 3.32 -1.90 -2.47 116.42 117.41 1r9j h ASP 155 Ca -0.05 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1r9j h ASP 155 Cb 0.18 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1r9j h ASP 155 CO 0.09 0.54 0.33 1.23 -1.72 0.00 0.00 179.24 179.71 1r9j h GLY 156 N 1.02 1.05 0.77 2.75 0.00 -1.96 -2.67 103.07 104.02 1r9j h GLY 156 Ca 0.45 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.27 1r9j h GLY 156 CO -0.22 0.49 -0.12 0.00 0.00 0.00 0.00 176.54 176.69 1r9j h LEU 158 N -0.22 0.00 0.00 0.00 3.38 -1.31 -1.78 115.31 115.38 1r9j h LEU 158 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1r9j h LEU 158 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1r9j h LEU 158 CO -0.08 0.00 -0.57 0.24 0.09 0.00 0.00 178.44 178.11 1r9j h MET 159 N 0.00 0.00 -6.70 1.13 2.86 -1.09 -3.44 114.93 107.70 1r9j h MET 159 Ca 0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 1r9j h MET 159 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1r9j h MET 159 CO 0.00 0.14 0.45 -1.21 1.06 0.00 0.00 176.91 177.35 1r9j s GLU 160 N -3.16 4.65 0.20 1.72 0.41 -0.67 -4.96 118.70 116.89 1r9j s GLU 160 Ca 0.03 1.68 -0.11 0.00 -0.41 0.00 0.00 54.97 56.16 1r9j s GLU 160 Cb 0.07 -3.27 0.14 0.00 -1.78 0.00 0.00 34.13 29.29 1r9j s GLU 160 CO 0.74 0.19 1.87 0.78 -0.49 0.00 0.00 175.26 178.35 1r9j h GLY 161 N 4.72 0.99 1.04 -1.39 0.00 -1.89 -1.69 103.07 104.85 1r9j h GLY 161 Ca -0.45 -0.37 0.11 0.00 0.00 0.00 0.00 47.33 46.62 1r9j h GLY 161 CO 0.70 0.36 0.38 -0.24 0.00 0.00 0.00 176.54 177.75 1r9j h VAL 162 N 0.95 0.86 0.03 4.60 3.04 -1.93 0.25 116.25 124.05 1r9j h VAL 162 Ca 0.26 -0.10 -0.00 0.00 -1.01 0.00 0.00 66.70 65.85 1r9j h VAL 162 Cb -0.11 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 29.71 1r9j h VAL 162 CO -0.06 0.05 -0.02 0.00 -1.01 0.00 0.00 177.57 176.54 1r9j h GLN 164 N -0.57 0.94 -0.32 0.00 1.08 -0.56 -0.43 115.11 115.26 1r9j h GLN 164 Ca -0.00 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1r9j h GLN 164 Cb 0.53 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1r9j h GLN 164 CO 0.01 0.63 0.20 0.93 -0.95 0.00 0.00 178.83 179.64 1r9j h GLU 165 N 0.97 0.40 -0.60 1.46 5.08 -0.60 -1.43 114.58 119.86 1r9j h GLU 165 Ca 0.33 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1r9j h GLU 165 Cb 0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1r9j h GLU 165 CO -0.13 0.26 0.09 0.00 -1.00 0.00 0.00 179.01 178.24 1r9j h ALA 166 N 1.13 0.80 -0.25 3.43 0.00 -0.94 -2.07 119.26 121.37 1r9j h ALA 166 Ca 0.12 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1r9j h ALA 166 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1r9j h ALA 166 CO -0.04 0.56 -0.28 -0.07 0.00 0.00 0.00 179.25 179.43 1r9j h LEU 167 N 0.91 0.50 -0.26 0.00 3.38 -0.98 -0.34 115.31 118.52 1r9j h LEU 167 Ca 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1r9j h LEU 167 Cb 0.43 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1r9j h LEU 167 CO 0.01 0.76 0.10 -1.28 0.09 0.00 0.00 178.44 178.12 1r9j h SER 168 N 0.43 0.36 -0.25 -0.43 0.87 -0.99 -0.69 113.55 112.85 1r9j h SER 168 Ca 0.06 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.34 1r9j h SER 168 Cb 0.71 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1r9j h SER 168 CO 0.05 0.44 -0.22 0.25 -0.53 0.00 0.00 176.83 176.82 1r9j h LEU 169 N 0.26 0.73 -0.99 2.23 5.85 -1.23 -1.50 115.31 120.67 1r9j h LEU 169 Ca 0.08 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1r9j h LEU 169 Cb 0.19 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1r9j h LEU 169 CO -0.01 0.93 0.30 0.00 -0.34 0.00 0.00 178.44 179.32 1r9j h ALA 170 N 1.12 1.20 -0.30 1.25 0.00 -0.77 0.19 119.26 121.95 1r9j h ALA 170 Ca 0.09 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1r9j h ALA 170 Cb 0.71 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1r9j h ALA 170 CO 0.05 0.59 -0.37 0.78 0.00 0.00 0.00 179.25 180.30 1r9j h GLY 171 N 1.08 0.85 1.02 0.00 0.00 -0.88 -1.35 103.07 103.77 1r9j h GLY 171 Ca 0.24 -0.91 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 1r9j h GLY 171 CO -0.02 0.82 0.28 0.84 0.00 0.00 0.00 176.54 178.45 1r9j h HIS 172 N 0.54 1.03 -0.00 5.60 6.17 -0.78 -2.34 115.15 125.36 1r9j h HIS 172 Ca 0.04 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.04 1r9j h HIS 172 Cb 0.96 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.58 1r9j h HIS 172 CO 0.07 0.80 -0.01 1.28 0.71 0.00 0.00 177.93 180.78 1r9j n LEU 173 N -4.40 0.02 -3.71 0.26 4.77 0.62 -4.74 117.00 109.82 1r9j n LEU 173 Ca 0.05 0.36 -0.23 0.00 -0.03 0.00 0.00 56.01 56.17 1r9j n LEU 173 Cb 0.17 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1r9j n LEU 173 CO 0.40 0.00 -0.01 0.00 -1.33 0.00 0.00 177.39 176.45 1r9j n ALA 174 N -1.37 -1.85 -2.10 -1.18 0.00 -0.53 -3.71 120.51 109.76 1r9j n ALA 174 Ca 0.11 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 1r9j n ALA 174 Cb 0.28 -2.59 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 1r9j n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r9j s LEU 175 N -6.78 3.17 0.56 0.00 1.43 -1.06 -4.42 118.68 111.57 1r9j s LEU 175 Ca 0.15 -1.12 0.30 0.00 -1.03 0.00 0.00 54.13 52.43 1r9j s LEU 175 Cb -0.07 -2.57 1.64 0.00 0.03 0.00 0.00 46.19 45.21 1r9j s LEU 175 CO 0.80 -2.74 2.14 1.05 0.23 0.00 0.00 176.35 177.84 1r9j h GLU 176 N 10.54 0.00 -0.32 1.70 4.11 -1.88 -2.42 114.58 126.31 1r9j h GLU 176 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1r9j h GLU 176 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1r9j h GLU 176 CO 1.24 0.07 0.00 1.63 0.07 0.00 0.00 179.01 182.02 1r9j n LYS 177 N -3.59 1.96 -3.21 1.06 5.02 -1.26 -4.69 118.16 113.45 1r9j n LYS 177 Ca -0.02 -1.47 -0.40 0.00 -2.02 0.00 0.00 58.31 54.40 1r9j n LYS 177 Cb 0.19 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 33.75 1r9j n LYS 177 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1r9j s LEU 178 N -1.30 4.12 -0.26 -0.35 2.96 -0.91 -1.23 118.68 121.70 1r9j s LEU 178 Ca 0.32 0.67 0.02 0.00 -0.22 0.00 0.00 54.13 54.91 1r9j s LEU 178 Cb 0.17 -2.74 0.07 0.00 0.50 0.00 0.00 46.19 44.19 1r9j s LEU 178 CO 0.24 -0.24 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.37 1r9j s ILE 179 N 1.91 1.73 -0.20 6.68 1.01 0.19 -1.63 121.20 130.90 1r9j s ILE 179 Ca 0.24 -1.50 -0.18 0.00 0.00 0.00 0.00 60.65 59.21 1r9j s ILE 179 Cb -0.16 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1r9j s ILE 179 CO 0.09 -0.21 0.51 -0.69 0.00 0.00 0.00 174.94 174.64 1r9j s VAL 180 N 1.27 5.11 -0.37 2.92 1.01 0.61 -1.75 120.40 129.20 1r9j s VAL 180 Ca -0.03 0.93 -0.08 0.00 0.00 0.00 0.00 61.98 62.80 1r9j s VAL 180 Cb -0.19 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.41 1r9j s VAL 180 CO -0.08 0.18 0.18 -0.63 0.00 0.00 0.00 175.10 174.75 1r9j s ILE 181 N 1.65 4.04 -0.36 2.22 1.01 0.14 0.47 121.20 130.37 1r9j s ILE 181 Ca 0.23 -1.21 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 1r9j s ILE 181 Cb -0.15 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1r9j s ILE 181 CO 0.09 -0.31 0.36 -0.47 0.00 0.00 0.00 174.94 174.61 1r9j s TYR 182 N 1.42 3.21 -0.73 3.97 5.04 0.88 -1.72 117.35 129.42 1r9j s TYR 182 Ca 0.01 -0.10 -0.23 0.00 -2.44 0.00 0.00 57.07 54.31 1r9j s TYR 182 Cb -0.21 -2.69 0.07 0.00 0.35 0.00 0.00 41.96 39.48 1r9j s TYR 182 CO 0.03 -0.47 1.08 0.34 -1.34 0.00 0.00 175.55 175.19 1r9j s ASP 183 N 1.74 6.24 -0.49 4.32 2.15 -0.19 -1.75 116.67 128.68 1r9j s ASP 183 Ca 0.11 -1.02 -0.18 0.00 0.43 0.00 0.00 52.55 51.90 1r9j s ASP 183 Cb -0.17 -2.46 0.06 0.00 -0.30 0.00 0.00 42.92 40.06 1r9j s ASP 183 CO 0.12 -1.49 0.54 -0.55 -0.17 0.00 0.00 175.17 173.62 1r9j s SER 184 N 3.78 6.20 -0.03 -0.34 0.15 -0.19 -4.18 113.70 119.08 1r9j s SER 184 Ca 0.28 -1.05 0.04 0.00 0.70 0.00 0.00 55.95 55.92 1r9j s SER 184 Cb -0.13 -2.25 0.07 0.00 -1.71 0.00 0.00 66.02 62.00 1r9j s SER 184 CO 0.08 -0.80 0.96 -0.46 1.20 0.00 0.00 173.24 174.21 1r9j n ASN 185 N 5.83 1.64 -3.26 5.45 0.23 -1.26 -1.81 115.26 122.08 1r9j n ASN 185 Ca -0.09 -2.10 -0.23 0.00 -0.53 0.00 0.00 54.58 51.63 1r9j n ASN 185 Cb 0.45 -0.11 0.01 0.00 -2.08 0.00 0.00 39.78 38.04 1r9j n ASN 185 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1r9j n TYR 186 N -0.61 -1.85 -3.81 -2.53 4.02 -1.26 -4.63 117.16 106.48 1r9j n TYR 186 Ca 0.04 0.49 -0.13 0.00 -0.01 0.00 0.00 57.90 58.28 1r9j n TYR 186 Cb 0.41 -3.39 -0.15 0.00 -0.02 0.00 0.00 39.34 36.19 1r9j n TYR 186 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1r9j s ILE 187 N -3.00 -0.03 0.00 -0.72 -1.09 -1.26 -2.32 121.20 112.78 1r9j s ILE 187 Ca 0.37 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 1r9j s ILE 187 Cb -0.19 -0.09 -0.00 0.00 -1.58 0.00 0.00 42.46 40.60 1r9j s ILE 187 CO 0.46 0.04 0.00 -1.54 -1.23 0.00 0.00 174.94 172.67 1r9j n SER 188 N 3.60 0.68 -0.03 3.58 3.41 0.14 -4.87 113.62 120.12 1r9j n SER 188 Ca -0.19 -1.02 -0.11 0.00 -0.26 0.00 0.00 58.87 57.29 1r9j n SER 188 Cb 0.55 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 1r9j n SER 188 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1r9j h ILE 189 N 1.01 1.15 0.00 -1.33 2.04 -1.97 -2.60 117.51 115.81 1r9j h ILE 189 Ca -0.00 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1r9j h ILE 189 Cb 0.01 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1r9j h ILE 189 CO 0.00 0.14 0.00 0.44 0.00 0.00 0.00 178.15 178.73 1r9j h ASP 190 N 0.05 0.00 0.00 1.72 5.19 -1.97 -3.47 116.42 117.94 1r9j h ASP 190 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1r9j h ASP 190 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1r9j h ASP 190 CO -0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1r9j n GLY 191 N -0.63 0.34 3.78 2.75 0.00 -0.98 -5.06 105.19 105.38 1r9j n GLY 191 Ca -0.01 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1r9j n GLY 191 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r9j s SER 192 N -4.00 6.17 0.46 1.61 0.15 -1.26 0.23 113.70 117.06 1r9j s SER 192 Ca 0.00 3.03 0.31 0.00 0.70 0.00 0.00 55.95 59.99 1r9j s SER 192 Cb 0.00 -2.67 1.40 0.00 -1.71 0.00 0.00 66.02 63.04 1r9j s SER 192 CO 0.00 -0.99 1.93 0.71 1.20 0.00 0.00 173.24 176.09 1r9j h THR 193 N 2.76 0.00 0.00 6.45 1.35 -1.79 -2.28 112.91 119.41 1r9j h THR 193 Ca -0.51 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1r9j h THR 193 Cb 1.25 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1r9j h THR 193 CO 0.63 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.36 1r9j n SER 194 N -2.74 0.00 0.13 5.36 3.41 -1.26 0.42 113.62 118.94 1r9j n SER 194 Ca 0.00 0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.80 1r9j n SER 194 Cb 0.22 -0.25 0.33 0.00 -0.26 0.00 0.00 64.21 64.25 1r9j n SER 194 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1r9j h LEU 195 N 0.00 0.00 0.00 1.04 3.38 -1.78 -3.42 115.31 114.53 1r9j h LEU 195 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r9j h LEU 195 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1r9j h LEU 195 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1r9j n SER 196 N -2.48 0.00 -3.48 -0.43 3.41 -0.75 -5.10 113.62 104.79 1r9j n SER 196 Ca 0.05 -0.68 -0.23 0.00 -0.26 0.00 0.00 58.87 57.75 1r9j n SER 196 Cb 0.46 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.28 1r9j n SER 196 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1r9j s PHE 197 N 0.00 -0.09 -0.39 7.33 5.36 0.17 -5.04 117.98 125.31 1r9j s PHE 197 Ca 0.00 -0.42 0.11 0.00 -0.96 0.00 0.00 56.93 55.65 1r9j s PHE 197 Cb 0.00 -0.64 0.32 0.00 -0.34 0.00 0.00 43.02 42.36 1r9j s PHE 197 CO 0.00 -0.83 0.69 0.25 -1.46 0.00 0.00 175.22 173.87 1r9j n THR 198 N 5.29 -0.10 -3.82 0.12 -2.24 -1.26 -4.25 114.28 108.01 1r9j n THR 198 Ca -0.04 -4.51 -0.23 0.00 -2.27 0.00 0.00 64.05 57.00 1r9j n THR 198 Cb 0.45 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.91 1r9j n THR 198 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1r9j s GLU 199 N -2.18 3.46 -1.16 -0.78 2.02 -1.26 -5.01 118.70 113.79 1r9j s GLU 199 Ca 0.39 -0.62 -0.13 0.00 0.02 0.00 0.00 54.97 54.63 1r9j s GLU 199 Cb 0.30 -2.84 0.19 0.00 0.10 0.00 0.00 34.13 31.87 1r9j s GLU 199 CO -0.09 0.38 1.34 -0.65 0.02 0.00 0.00 175.26 176.25 1r9j s GLN 200 N -3.93 4.06 0.29 1.61 -0.21 -1.26 -4.88 119.66 115.33 1r9j s GLN 200 Ca 0.36 -2.63 0.03 0.00 0.02 0.00 0.00 55.36 53.13 1r9j s GLN 200 Cb -0.09 -4.95 0.70 0.00 1.00 0.00 0.00 33.01 29.67 1r9j s GLN 200 CO 0.30 -1.66 1.70 0.00 -2.12 0.00 0.00 175.29 173.51 1r9j h HIS 202 N 0.40 -1.13 -0.87 0.00 -0.00 -1.99 0.13 115.15 111.68 1r9j h HIS 202 Ca 0.55 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.91 1r9j h HIS 202 Cb 1.02 0.44 -0.04 0.00 -0.00 0.00 0.00 27.41 28.83 1r9j h HIS 202 CO -0.15 -0.58 0.48 1.96 -0.00 0.00 0.00 177.93 179.65 1r9j h GLN 203 N -0.87 1.20 0.05 5.26 7.50 -1.93 -1.67 115.11 124.64 1r9j h GLN 203 Ca -0.04 -0.13 -0.00 0.00 0.50 0.00 0.00 58.65 58.97 1r9j h GLN 203 Cb 0.76 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 28.05 1r9j h GLN 203 CO -0.05 0.87 -0.02 -0.22 -1.50 0.00 0.00 178.83 177.91 1r9j h LYS 204 N 1.21 -0.06 0.00 1.46 3.64 -0.81 -1.82 116.57 120.19 1r9j h LYS 204 Ca 0.31 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1r9j h LYS 204 Cb 0.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1r9j h LYS 204 CO -0.05 0.03 -0.30 1.88 -2.27 0.00 0.00 179.45 178.74 1r9j h TYR 205 N -0.14 0.00 -0.31 1.91 -1.99 -0.63 -2.37 116.97 113.45 1r9j h TYR 205 Ca -0.01 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.59 1r9j h TYR 205 Cb 0.12 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 1r9j h TYR 205 CO -0.05 0.30 -0.35 0.28 -0.00 0.00 0.00 178.16 178.34 1r9j h VAL 206 N 0.00 1.28 0.00 -2.88 2.07 -1.22 -0.66 116.25 114.84 1r9j h VAL 206 Ca -0.00 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1r9j h VAL 206 Cb 0.96 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1r9j h VAL 206 CO 0.04 0.49 -0.10 0.00 0.02 0.00 0.00 177.57 178.02 1r9j h ALA 207 N 1.03 1.18 -0.15 1.67 0.00 -0.83 -1.56 119.26 120.59 1r9j h ALA 207 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1r9j h ALA 207 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1r9j h ALA 207 CO 0.08 0.12 0.00 -1.33 0.00 0.00 0.00 179.25 178.12 1r9j n MET 208 N -3.46 1.74 -0.21 0.00 2.00 -0.81 -4.91 117.12 111.46 1r9j n MET 208 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 57.70 56.58 1r9j n MET 208 Cb 0.25 -1.41 0.00 0.00 0.00 0.00 0.00 33.22 32.06 1r9j n MET 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1r9j n GLY 209 N 1.14 0.89 3.93 3.03 0.00 -0.59 -4.11 105.19 109.48 1r9j n GLY 209 Ca 0.16 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1r9j n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r9j s PHE 210 N -2.00 3.49 -0.42 1.61 0.40 -0.32 -4.05 117.98 116.68 1r9j s PHE 210 Ca 0.00 0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 56.48 1r9j s PHE 210 Cb 0.00 -1.81 0.04 0.00 0.51 0.00 0.00 43.02 41.76 1r9j s PHE 210 CO 0.00 0.43 0.31 -1.58 0.70 0.00 0.00 175.22 175.08 1r9j s HIS 211 N -1.79 3.25 -0.17 0.36 5.65 -0.26 -4.19 115.29 118.13 1r9j s HIS 211 Ca 0.37 -0.81 -0.15 0.00 0.25 0.00 0.00 55.06 54.73 1r9j s HIS 211 Cb -0.11 -2.75 -0.04 0.00 -1.18 0.00 0.00 32.58 28.49 1r9j s HIS 211 CO 0.28 -0.67 0.34 0.08 -0.65 0.00 0.00 174.74 174.12 1r9j s VAL 212 N 1.63 5.26 -0.11 0.89 1.01 -1.26 -1.78 120.40 126.05 1r9j s VAL 212 Ca 0.04 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1r9j s VAL 212 Cb -0.21 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1r9j s VAL 212 CO 0.08 0.33 -0.23 -0.63 0.00 0.00 0.00 175.10 174.65 1r9j s ILE 213 N 0.79 2.05 -0.03 2.22 1.01 -0.50 -4.97 121.20 121.77 1r9j s ILE 213 Ca 0.18 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1r9j s ILE 213 Cb -0.14 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1r9j s ILE 213 CO 0.06 0.56 -0.01 -1.61 0.00 0.00 0.00 174.94 173.94 1r9j s GLU 214 N 0.44 2.83 -0.37 2.79 2.02 -1.26 0.03 118.70 125.17 1r9j s GLU 214 Ca -0.17 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.28 1r9j s GLU 214 Cb -0.17 -2.69 0.12 0.00 0.10 0.00 0.00 34.13 31.48 1r9j s GLU 214 CO 0.07 0.65 0.16 0.08 0.02 0.00 0.00 175.26 176.24 1r9j s VAL 215 N -1.00 1.19 0.41 2.63 1.01 -0.34 -4.94 120.40 119.36 1r9j s VAL 215 Ca 0.17 -2.01 0.13 0.00 0.00 0.00 0.00 61.98 60.28 1r9j s VAL 215 Cb -0.11 -1.87 0.34 0.00 0.00 0.00 0.00 36.38 34.73 1r9j s VAL 215 CO 0.07 -0.78 1.93 0.11 0.00 0.00 0.00 175.10 176.43 1r9j h LYS 216 N 7.40 0.48 -3.15 2.72 1.79 -1.90 -2.26 116.57 121.65 1r9j h LYS 216 Ca -0.07 -0.03 -0.63 0.00 -2.18 0.00 0.00 60.65 57.75 1r9j h LYS 216 Cb 0.97 -0.11 -0.41 0.00 -1.58 0.00 0.00 32.23 31.10 1r9j h LYS 216 CO 0.47 0.32 -0.62 1.21 -1.08 0.00 0.00 179.45 179.75 1r9j s ASN 217 N -6.02 4.39 0.00 0.86 3.84 -1.26 -4.19 114.94 112.56 1r9j s ASN 217 Ca -0.08 -3.43 0.15 0.00 0.21 0.00 0.00 52.86 49.71 1r9j s ASN 217 Cb 0.21 -1.53 0.82 0.00 -0.55 0.00 0.00 41.25 40.19 1r9j s ASN 217 CO 0.77 -0.15 1.53 0.61 -2.79 0.00 0.00 177.10 177.07 1r9j n GLY 218 N 2.53 -0.78 0.08 1.21 0.00 -0.47 -1.83 105.19 105.93 1r9j n GLY 218 Ca 0.14 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1r9j n GLY 218 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1r9j h ASP 219 N 0.34 0.00 0.00 1.61 3.32 -1.88 -3.42 116.42 116.39 1r9j h ASP 219 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r9j h ASP 219 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1r9j h ASP 219 CO 0.00 0.98 0.00 0.35 -1.72 0.00 0.00 179.24 178.85 1r9j n THR 220 N -3.06 0.00 -2.80 0.35 -2.24 -1.23 -4.87 114.28 100.42 1r9j n THR 220 Ca -0.15 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.19 1r9j n THR 220 Cb 1.03 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 70.46 1r9j n THR 220 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1r9j n ASP 221 N 0.00 5.16 0.06 3.42 2.03 -0.76 -4.80 116.55 121.66 1r9j n ASP 221 Ca 0.00 -2.99 -0.01 0.00 0.52 0.00 0.00 54.79 52.31 1r9j n ASP 221 Cb 0.20 -1.57 0.28 0.00 -0.72 0.00 0.00 41.12 39.30 1r9j n ASP 221 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1r9j h TYR 222 N 6.93 0.40 -0.65 -0.67 -1.99 -1.95 -1.76 116.97 117.28 1r9j h TYR 222 Ca 0.35 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.95 1r9j h TYR 222 Cb 0.83 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.43 1r9j h TYR 222 CO 1.16 0.56 0.17 1.49 -0.00 0.00 0.00 178.16 181.54 1r9j h GLU 223 N 0.34 1.03 -0.65 4.88 4.81 -1.99 -0.45 114.58 122.55 1r9j h GLU 223 Ca 0.06 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1r9j h GLU 223 Cb 0.55 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1r9j h GLU 223 CO 0.04 0.92 0.24 0.78 -0.73 0.00 0.00 179.01 180.26 1r9j h GLY 224 N 0.96 1.05 0.92 1.92 0.00 -1.84 -0.05 103.07 106.03 1r9j h GLY 224 Ca 0.21 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1r9j h GLY 224 CO -0.00 0.55 0.12 1.41 0.00 0.00 0.00 176.54 178.63 1r9j h LEU 225 N 0.92 0.46 -0.67 3.11 3.38 -0.99 0.76 115.31 122.27 1r9j h LEU 225 Ca 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1r9j h LEU 225 Cb 0.23 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1r9j h LEU 225 CO -0.01 0.51 0.39 0.03 0.09 0.00 0.00 178.44 179.45 1r9j h ARG 226 N 0.38 0.92 -0.56 1.13 3.08 -0.90 -2.45 114.38 115.98 1r9j h ARG 226 Ca 0.11 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1r9j h ARG 226 Cb 0.20 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1r9j h ARG 226 CO -0.01 0.67 0.16 -0.22 -1.07 0.00 0.00 179.97 179.50 1r9j h LYS 227 N 0.91 0.88 0.04 0.04 3.64 -0.65 -1.72 116.57 119.70 1r9j h LYS 227 Ca 0.24 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1r9j h LYS 227 Cb -0.00 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1r9j h LYS 227 CO -0.04 0.80 -0.06 0.00 -2.27 0.00 0.00 179.45 177.88 1r9j h ALA 228 N 1.03 -0.10 -0.87 5.00 0.00 -0.60 0.42 119.26 124.14 1r9j h ALA 228 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1r9j h ALA 228 Cb 0.30 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1r9j h ALA 228 CO -0.00 -0.57 0.48 -0.07 0.00 0.00 0.00 179.25 179.09 1r9j h LEU 229 N -0.13 1.08 -0.31 0.00 3.38 -1.38 0.17 115.31 118.12 1r9j h LEU 229 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1r9j h LEU 229 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1r9j h LEU 229 CO -0.04 0.86 0.14 0.00 0.09 0.00 0.00 178.44 179.50 1r9j h ALA 230 N 1.26 0.40 -0.81 1.53 0.00 -0.97 -1.39 119.26 119.28 1r9j h ALA 230 Ca 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1r9j h ALA 230 Cb 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1r9j h ALA 230 CO -0.05 -0.03 0.40 1.49 0.00 0.00 0.00 179.25 181.06 1r9j h GLU 231 N 0.36 1.16 -0.41 0.00 4.81 -0.57 -1.56 114.58 118.37 1r9j h GLU 231 Ca 0.11 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1r9j h GLU 231 Cb 0.13 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1r9j h GLU 231 CO -0.01 0.88 0.26 0.00 -0.73 0.00 0.00 179.01 179.41 1r9j h ALA 232 N 1.21 0.52 -0.20 2.92 0.00 -0.60 0.54 119.26 123.65 1r9j h ALA 232 Ca 0.28 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1r9j h ALA 232 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1r9j h ALA 232 CO -0.04 -0.06 -0.24 0.87 0.00 0.00 0.00 179.25 179.78 1r9j h LYS 233 N 0.52 0.37 0.01 0.00 1.79 -0.97 -3.14 116.57 115.15 1r9j h LYS 233 Ca 0.16 -0.13 -0.21 0.00 -2.18 0.00 0.00 60.65 58.29 1r9j h LYS 233 Cb -0.03 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 1r9j h LYS 233 CO -0.05 0.60 -0.98 0.00 -1.08 0.00 0.00 179.45 177.93 1r9j h ALA 234 N 1.41 0.40 -2.11 3.86 0.00 -0.76 -3.44 119.26 118.61 1r9j h ALA 234 Ca 0.05 -0.87 -0.57 0.00 0.00 0.00 0.00 54.91 53.52 1r9j h ALA 234 Cb 0.61 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1r9j h ALA 234 CO 0.04 1.18 0.83 0.99 0.00 0.00 0.00 179.25 182.30 1r9j s THR 235 N -2.80 4.52 0.35 0.00 2.01 0.13 -5.03 115.64 114.82 1r9j s THR 235 Ca 0.00 1.84 0.08 0.00 0.31 0.00 0.00 61.69 63.92 1r9j s THR 235 Cb 0.10 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1r9j s THR 235 CO 0.82 -0.16 0.30 -0.54 -0.69 0.00 0.00 174.62 174.35 1r9j s LYS 236 N 3.27 2.66 0.00 4.92 1.02 -1.26 -4.68 119.74 125.67 1r9j s LYS 236 Ca 0.48 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 55.11 1r9j s LYS 236 Cb -0.18 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 1r9j s LYS 236 CO 0.10 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 1r9j n GLY 237 N -1.40 1.78 3.27 -3.33 0.00 -1.26 -5.02 105.19 99.24 1r9j n GLY 237 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1r9j n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9j s LYS 238 N -0.47 0.75 0.78 1.61 1.02 -1.26 -4.76 119.74 117.41 1r9j s LYS 238 Ca 0.00 -0.26 -0.11 0.00 0.02 0.00 0.00 55.97 55.61 1r9j s LYS 238 Cb 0.00 0.33 0.06 0.00 -0.52 0.00 0.00 37.83 37.70 1r9j s LYS 238 CO 0.00 -0.23 1.09 -2.14 -0.92 0.00 0.00 175.35 173.15 1r9j s PRO 239 N -1.75 2.20 0.14 -1.68 0.02 -1.21 -4.14 135.00 128.57 1r9j s PRO 239 Ca -0.10 0.78 0.10 0.00 0.02 0.00 0.00 61.00 61.80 1r9j s PRO 239 Cb -0.03 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 1r9j s PRO 239 CO 0.02 -1.57 -0.23 0.15 -0.33 0.00 0.00 177.00 175.04 1r9j s LYS 240 N -5.08 1.56 -0.20 5.54 3.01 -0.65 -1.11 119.74 122.82 1r9j s LYS 240 Ca 0.60 -1.33 -0.02 0.00 -1.01 0.00 0.00 55.97 54.21 1r9j s LYS 240 Cb -0.15 -1.96 0.06 0.00 -1.01 0.00 0.00 37.83 34.77 1r9j s LYS 240 CO 0.55 0.45 0.01 1.41 0.51 0.00 0.00 175.35 178.27 1r9j s MET 241 N -2.24 0.92 -0.31 1.68 -2.45 -0.73 -0.28 119.30 115.88 1r9j s MET 241 Ca 0.17 -0.53 -0.18 0.00 -1.25 0.00 0.00 55.69 53.90 1r9j s MET 241 Cb -0.10 -2.16 -0.01 0.00 1.25 0.00 0.00 34.83 33.81 1r9j s MET 241 CO 0.08 -0.60 0.52 0.42 1.05 0.00 0.00 175.02 176.50 1r9j s ILE 242 N 1.74 5.03 -0.44 10.11 1.01 0.18 -1.40 121.20 137.42 1r9j s ILE 242 Ca -0.02 0.58 -0.15 0.00 0.00 0.00 0.00 60.65 61.07 1r9j s ILE 242 Cb -0.17 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 38.44 1r9j s ILE 242 CO -0.07 -0.10 0.35 -0.69 0.00 0.00 0.00 174.94 174.42 1r9j s VAL 243 N 2.39 5.12 -0.14 2.92 1.01 0.10 -0.08 120.40 131.72 1r9j s VAL 243 Ca 0.20 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1r9j s VAL 243 Cb -0.15 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1r9j s VAL 243 CO 0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 175.10 174.73 1r9j s GLN 244 N 1.63 3.51 -0.32 2.72 -2.07 -0.72 -1.20 119.66 123.21 1r9j s GLN 244 Ca 0.04 -0.46 -0.16 0.00 -1.82 0.00 0.00 55.36 52.96 1r9j s GLN 244 Cb -0.22 -2.92 -0.02 0.00 -1.09 0.00 0.00 33.01 28.76 1r9j s GLN 244 CO 0.07 0.38 0.42 0.99 -1.32 0.00 0.00 175.29 175.83 1r9j s THR 245 N 0.00 5.12 0.42 3.63 2.01 -0.85 -1.02 115.64 124.94 1r9j s THR 245 Ca 0.02 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.40 1r9j s THR 245 Cb -0.13 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1r9j s THR 245 CO 0.02 -0.04 0.07 0.42 -0.69 0.00 0.00 174.62 174.40 1r9j s THR 246 N 2.17 0.97 -0.31 -0.82 -4.23 -0.75 -1.36 115.64 111.30 1r9j s THR 246 Ca 0.15 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.61 1r9j s THR 246 Cb -0.16 -2.45 0.03 0.00 1.34 0.00 0.00 72.50 71.26 1r9j s THR 246 CO 0.11 0.00 0.05 -0.89 -0.54 0.00 0.00 174.62 173.36 1r9j s THR 247 N -3.11 3.56 0.22 3.99 2.01 -1.26 -4.25 115.64 116.79 1r9j s THR 247 Ca 0.23 -1.04 -0.32 0.00 0.31 0.00 0.00 61.69 60.87 1r9j s THR 247 Cb 0.04 -2.94 -0.13 0.00 0.01 0.00 0.00 72.50 69.49 1r9j s THR 247 CO 0.12 -0.04 1.61 0.00 -0.69 0.00 0.00 174.62 175.62 1r9j n ILE 248 N 4.77 0.38 -2.54 1.82 3.06 -1.26 -1.33 119.36 124.26 1r9j n ILE 248 Ca -0.14 -0.10 -0.14 0.00 -2.50 0.00 0.00 62.75 59.87 1r9j n ILE 248 Cb 0.46 -1.78 0.01 0.00 0.54 0.00 0.00 39.64 38.87 1r9j n ILE 248 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1r9j n GLY 249 N 3.12 -0.16 3.67 4.50 0.00 -0.36 -0.48 105.19 115.48 1r9j n GLY 249 Ca 0.14 -0.23 -0.59 0.00 0.00 0.00 0.00 46.02 45.34 1r9j n GLY 249 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1r9j n PHE 250 N -4.06 1.93 0.00 1.61 7.35 -0.44 -0.84 117.46 123.01 1r9j n PHE 250 Ca -0.11 0.61 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1r9j n PHE 250 Cb 0.60 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 38.00 1r9j n PHE 250 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1r9j n GLY 251 N 4.58 2.58 3.75 7.13 0.00 -1.26 -4.89 105.19 117.07 1r9j n GLY 251 Ca 0.30 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1r9j n GLY 251 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r9j s SER 252 N -0.09 4.74 0.54 1.61 0.15 -0.02 -4.72 113.70 115.90 1r9j s SER 252 Ca 0.00 2.20 0.32 0.00 0.70 0.00 0.00 55.95 59.17 1r9j s SER 252 Cb 0.00 -2.57 1.39 0.00 -1.71 0.00 0.00 66.02 63.13 1r9j s SER 252 CO 0.00 -1.89 2.00 0.77 1.20 0.00 0.00 173.24 175.33 1r9j h SER 253 N 0.03 0.00 -0.53 5.45 4.64 -1.88 -2.31 113.55 118.95 1r9j h SER 253 Ca -0.48 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.74 1r9j h SER 253 Cb 1.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 1r9j h SER 253 CO 0.52 0.06 0.10 0.29 -0.87 0.00 0.00 176.83 176.94 1r9j n LYS 254 N -3.21 3.57 -1.53 4.77 5.02 -1.26 -5.02 118.16 120.50 1r9j n LYS 254 Ca -0.00 -3.05 -0.36 0.00 -2.02 0.00 0.00 58.31 52.88 1r9j n LYS 254 Cb 0.30 -2.09 0.09 0.00 -0.02 0.00 0.00 35.03 33.31 1r9j n LYS 254 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1r9j s GLN 255 N -2.93 2.24 0.00 1.97 -2.07 -0.87 -2.86 119.66 115.14 1r9j s GLN 255 Ca 0.50 1.96 0.00 0.00 -1.82 0.00 0.00 55.36 56.00 1r9j s GLN 255 Cb 0.40 -1.82 0.00 0.00 -1.09 0.00 0.00 33.01 30.50 1r9j s GLN 255 CO 0.11 -1.81 0.00 0.41 -1.32 0.00 0.00 175.29 172.69 1r9j n GLY 256 N 0.75 0.56 3.45 2.60 0.00 0.36 -4.97 105.19 107.95 1r9j n GLY 256 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1r9j n GLY 256 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r9j s THR 257 N -2.49 1.88 -0.88 2.61 -4.23 -1.13 -4.93 115.64 106.47 1r9j s THR 257 Ca 0.00 -2.18 0.15 0.00 -1.18 0.00 0.00 61.69 58.48 1r9j s THR 257 Cb 0.00 -2.44 0.14 0.00 1.34 0.00 0.00 72.50 71.53 1r9j s THR 257 CO 0.00 -0.31 1.48 -1.84 -0.54 0.00 0.00 174.62 173.41 1r9j n GLU 258 N -0.62 0.04 0.24 3.99 0.00 -1.26 -2.97 120.64 120.06 1r9j n GLU 258 Ca -0.06 0.31 0.08 0.00 0.00 0.00 0.00 57.16 57.50 1r9j n GLU 258 Cb 0.63 -1.59 0.58 0.00 0.00 0.00 0.00 31.44 31.06 1r9j n GLU 258 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1r9j h LYS 259 N 0.00 0.00 -0.36 3.44 1.57 -1.94 -1.70 116.57 117.58 1r9j h LYS 259 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r9j h LYS 259 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1r9j h LYS 259 CO 0.00 0.17 0.00 1.33 -0.57 0.00 0.00 179.45 180.38 1r9j n VAL 260 N -4.09 0.47 0.25 0.50 0.24 -1.16 -4.51 118.33 110.04 1r9j n VAL 260 Ca -0.02 -0.59 -0.10 0.00 -2.04 0.00 0.00 64.34 61.59 1r9j n VAL 260 Cb 0.25 0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 33.12 1r9j n VAL 260 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1r9j h HIS 261 N 3.20 -0.59 -1.45 6.34 6.17 -1.48 0.17 115.15 127.51 1r9j h HIS 261 Ca 0.00 -0.01 -0.45 0.00 0.71 0.00 0.00 60.37 60.62 1r9j h HIS 261 Cb 0.71 0.20 -0.40 0.00 2.52 0.00 0.00 27.41 30.44 1r9j h HIS 261 CO 0.24 -0.37 -1.08 0.41 0.71 0.00 0.00 177.93 177.83 1r9j n GLY 262 N -0.69 3.08 3.49 5.26 0.00 -1.26 -3.95 105.19 111.12 1r9j n GLY 262 Ca -0.08 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 1r9j n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9j s ALA 263 N -3.03 -1.46 0.43 4.61 0.00 -0.82 -4.63 121.76 116.88 1r9j s ALA 263 Ca 0.35 1.62 -0.24 0.00 0.00 0.00 0.00 51.96 53.70 1r9j s ALA 263 Cb 0.41 -0.91 -0.10 0.00 0.00 0.00 0.00 23.12 22.52 1r9j s ALA 263 CO -0.04 -0.28 0.95 -2.30 0.00 0.00 0.00 175.76 174.08 1r9j n PRO 264 N 2.66 1.21 0.22 0.00 -0.02 -1.26 -4.59 135.00 133.21 1r9j n PRO 264 Ca -0.14 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 61.86 1r9j n PRO 264 Cb 0.56 -1.98 0.48 0.00 -0.02 0.00 0.00 33.50 32.54 1r9j n PRO 264 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1r9j h LEU 265 N 1.36 0.00 0.00 2.45 3.38 -1.95 -3.49 115.31 117.06 1r9j h LEU 265 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1r9j h LEU 265 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1r9j h LEU 265 CO 0.56 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1r9j n GLY 266 N -0.18 1.80 0.31 0.83 0.00 -1.26 -4.43 105.19 102.27 1r9j n GLY 266 Ca -0.01 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.42 1r9j n GLY 266 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1r9j h GLU 267 N 0.00 0.70 -0.05 1.61 4.81 -1.99 -2.25 114.58 117.40 1r9j h GLU 267 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1r9j h GLU 267 Cb 0.00 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1r9j h GLU 267 CO 0.00 0.46 -0.01 1.49 -0.73 0.00 0.00 179.01 180.22 1r9j h GLU 268 N 0.72 0.10 -0.50 1.92 4.81 -2.00 -2.41 114.58 117.21 1r9j h GLU 268 Ca 0.42 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1r9j h GLU 268 Cb 0.48 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1r9j h GLU 268 CO -0.29 0.40 0.24 0.22 -0.73 0.00 0.00 179.01 178.85 1r9j h ASP 269 N -0.22 0.62 -0.57 1.04 3.58 -1.74 -2.07 116.42 117.05 1r9j h ASP 269 Ca 0.01 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 1r9j h ASP 269 Cb 0.37 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1r9j h ASP 269 CO 0.00 0.53 0.01 0.40 -2.88 0.00 0.00 179.24 177.30 1r9j h ILE 270 N 0.69 1.26 -0.63 2.25 2.04 -1.35 -0.99 117.51 120.79 1r9j h ILE 270 Ca 0.17 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 1r9j h ILE 270 Cb 0.07 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1r9j h ILE 270 CO -0.02 0.41 0.13 0.00 0.00 0.00 0.00 178.15 178.66 1r9j h ALA 271 N 1.05 0.83 -0.33 1.87 0.00 -0.89 -2.06 119.26 119.73 1r9j h ALA 271 Ca 0.17 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1r9j h ALA 271 Cb 0.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1r9j h ALA 271 CO 0.03 0.57 -0.24 -0.91 0.00 0.00 0.00 179.25 178.69 1r9j h ASN 272 N 0.94 0.66 -0.42 0.00 2.35 -1.19 -2.03 115.58 115.88 1r9j h ASN 272 Ca 0.19 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1r9j h ASN 272 Cb 0.39 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1r9j h ASN 272 CO 0.01 0.88 0.19 0.40 -1.65 0.00 0.00 177.43 177.26 1r9j h ILE 273 N 0.57 1.18 -0.10 2.81 2.04 -0.86 0.33 117.51 123.48 1r9j h ILE 273 Ca 0.08 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1r9j h ILE 273 Cb 0.71 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1r9j h ILE 273 CO 0.05 0.20 0.04 0.11 0.00 0.00 0.00 178.15 178.55 1r9j h LYS 274 N 0.53 0.14 -0.84 2.37 1.57 -1.26 -2.04 116.57 117.04 1r9j h LYS 274 Ca 0.14 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1r9j h LYS 274 Cb 0.14 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1r9j h LYS 274 CO -0.02 0.25 0.55 0.00 -0.57 0.00 0.00 179.45 179.67 1r9j h ALA 275 N 0.88 1.53 0.00 3.86 0.00 -1.21 0.21 119.26 124.53 1r9j h ALA 275 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1r9j h ALA 275 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1r9j h ALA 275 CO -0.00 0.37 -0.23 -0.22 0.00 0.00 0.00 179.25 179.16 1r9j h LYS 276 N 0.99 0.00 -0.46 0.00 3.64 -0.57 -2.09 116.57 118.07 1r9j h LYS 276 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1r9j h LYS 276 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1r9j h LYS 276 CO -0.11 0.23 0.00 1.19 -2.27 0.00 0.00 179.45 178.49 1r9j n PHE 277 N -4.26 0.61 -1.86 1.91 3.72 -0.18 -4.92 117.46 112.49 1r9j n PHE 277 Ca -0.02 -0.31 -0.07 0.00 -0.05 0.00 0.00 57.45 57.00 1r9j n PHE 277 Cb 0.29 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.81 1r9j n PHE 277 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r9j n GLY 278 N 1.38 0.33 3.78 1.37 0.00 -0.77 -5.03 105.19 106.25 1r9j n GLY 278 Ca 0.18 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1r9j n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r9j s ARG 279 N -3.84 2.59 -0.08 1.61 0.52 0.56 -4.99 118.95 115.32 1r9j s ARG 279 Ca 0.00 -1.34 -0.30 0.00 -0.52 0.00 0.00 55.73 53.58 1r9j s ARG 279 Cb 0.00 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 1r9j s ARG 279 CO 0.00 0.21 1.68 0.34 0.02 0.00 0.00 175.30 177.55 1r9j s ASP 280 N -3.87 6.58 0.00 0.23 -1.08 -1.26 -3.66 116.67 113.62 1r9j s ASP 280 Ca 0.37 2.16 0.27 0.00 -0.52 0.00 0.00 52.55 54.82 1r9j s ASP 280 Cb -0.05 -2.53 1.59 0.00 -1.46 0.00 0.00 42.92 40.46 1r9j s ASP 280 CO 0.24 -1.01 1.95 -0.81 0.52 0.00 0.00 175.17 176.06 1r9j n PRO 281 N 7.27 0.86 -0.09 4.34 -0.04 -1.26 -3.60 135.00 142.48 1r9j n PRO 281 Ca 0.18 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1r9j n PRO 281 Cb 0.43 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 1r9j n PRO 281 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1r9j n GLN 282 N -0.98 1.16 -2.90 0.54 3.00 -1.26 -4.67 117.38 112.27 1r9j n GLN 282 Ca 0.20 0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.81 1r9j n GLN 282 Cb 0.09 -1.42 -0.04 0.00 0.00 0.00 0.00 30.24 28.87 1r9j n GLN 282 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1r9j s LYS 283 N -2.40 4.53 0.19 -1.09 1.02 -1.24 -5.06 119.74 115.69 1r9j s LYS 283 Ca -0.12 1.16 0.09 0.00 0.02 0.00 0.00 55.97 57.11 1r9j s LYS 283 Cb 0.05 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 1r9j s LYS 283 CO 0.63 0.16 -0.11 0.15 -0.92 0.00 0.00 175.35 175.26 1r9j s LYS 284 N 0.33 2.01 -1.50 1.68 1.02 -1.26 -4.62 119.74 117.40 1r9j s LYS 284 Ca 0.42 -1.30 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 1r9j s LYS 284 Cb -0.20 -2.12 0.07 0.00 -0.52 0.00 0.00 37.83 35.05 1r9j s LYS 284 CO 0.24 0.43 0.89 0.66 -0.92 0.00 0.00 175.35 176.64 1r9j n TYR 285 N 0.02 -2.15 -3.67 3.18 4.02 -1.26 -4.94 117.16 112.36 1r9j n TYR 285 Ca -0.11 0.88 -0.39 0.00 -0.01 0.00 0.00 57.90 58.28 1r9j n TYR 285 Cb 0.56 -3.97 -0.12 0.00 -0.02 0.00 0.00 39.34 35.79 1r9j n TYR 285 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1r9j s ASP 286 N -3.57 5.50 -0.35 7.72 2.15 -1.26 -5.06 116.67 121.79 1r9j s ASP 286 Ca 0.51 -0.61 -0.06 0.00 0.43 0.00 0.00 52.55 52.82 1r9j s ASP 286 Cb -0.26 -1.98 0.05 0.00 -0.30 0.00 0.00 42.92 40.44 1r9j s ASP 286 CO 0.84 -0.22 0.12 -0.69 -0.17 0.00 0.00 175.17 175.05 1r9j s VAL 287 N 1.59 3.65 0.28 1.11 1.01 -1.26 -4.89 120.40 121.88 1r9j s VAL 287 Ca 0.04 -1.32 -0.29 0.00 0.00 0.00 0.00 61.98 60.41 1r9j s VAL 287 Cb -0.17 -3.14 -0.14 0.00 0.00 0.00 0.00 36.38 32.93 1r9j s VAL 287 CO 0.06 -0.27 1.18 0.47 0.00 0.00 0.00 175.10 176.54 1r9j n ASP 288 N 4.77 2.00 0.25 3.32 8.00 -1.26 -4.84 116.55 128.79 1r9j n ASP 288 Ca -0.11 1.18 0.11 0.00 0.71 0.00 0.00 54.79 56.68 1r9j n ASP 288 Cb 0.44 -1.36 0.67 0.00 -0.02 0.00 0.00 41.12 40.85 1r9j n ASP 288 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1r9j h ASP 289 N 2.75 0.00 1.13 -2.24 3.32 -1.99 -1.71 116.42 117.68 1r9j h ASP 289 Ca -0.43 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 1r9j h ASP 289 Cb 1.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1r9j h ASP 289 CO 0.65 0.14 -0.60 -2.24 -1.72 0.00 0.00 179.24 175.48 1r9j h ASP 290 N 0.00 0.00 -0.16 6.45 2.03 -1.90 -1.74 116.42 121.11 1r9j h ASP 290 Ca -0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 1r9j h ASP 290 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1r9j h ASP 290 CO 0.02 0.60 -0.52 0.58 -1.03 0.00 0.00 179.24 178.89 1r9j h VAL 291 N 0.00 1.33 -0.52 4.15 2.07 -1.68 -2.78 116.25 118.81 1r9j h VAL 291 Ca -0.01 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 1r9j h VAL 291 Cb 1.32 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 1r9j h VAL 291 CO 0.08 0.55 0.27 0.03 0.02 0.00 0.00 177.57 178.51 1r9j h ARG 292 N 0.29 0.72 -0.16 1.57 3.08 -1.30 -1.50 114.38 117.08 1r9j h ARG 292 Ca -0.02 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1r9j h ARG 292 Cb 1.14 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1r9j h ARG 292 CO 0.11 0.55 -0.15 0.00 -1.07 0.00 0.00 179.97 179.40 1r9j h ALA 293 N 1.57 1.45 -0.29 0.04 0.00 -1.21 0.04 119.26 120.86 1r9j h ALA 293 Ca 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1r9j h ALA 293 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1r9j h ALA 293 CO -0.03 0.39 -0.00 0.28 0.00 0.00 0.00 179.25 179.89 1r9j h VAL 294 N 0.24 1.26 -0.41 0.00 2.07 -1.00 -0.92 116.25 117.49 1r9j h VAL 294 Ca 0.05 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 1r9j h VAL 294 Cb 0.42 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1r9j h VAL 294 CO 0.03 0.30 0.03 -0.26 0.02 0.00 0.00 177.57 177.69 1r9j h PHE 295 N 0.31 0.76 -0.71 1.57 -1.00 -1.17 -2.75 116.94 113.95 1r9j h PHE 295 Ca 0.08 -0.12 0.03 0.00 2.81 0.00 0.00 57.97 60.77 1r9j h PHE 295 Cb 0.44 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.75 1r9j h PHE 295 CO 0.04 0.76 0.45 -0.09 -1.61 0.00 0.00 178.31 177.85 1r9j h ARG 296 N 0.55 0.85 -0.81 1.51 9.65 -0.90 0.56 114.38 125.80 1r9j h ARG 296 Ca 0.12 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1r9j h ARG 296 Cb 0.43 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.78 1r9j h ARG 296 CO 0.02 0.57 0.53 1.98 2.80 0.00 0.00 179.97 185.86 1r9j h MET 297 N 0.88 1.04 -0.14 0.20 4.05 -1.06 0.88 114.93 120.77 1r9j h MET 297 Ca 0.28 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.61 1r9j h MET 297 Cb 0.01 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 30.57 1r9j h MET 297 CO -0.10 0.69 -0.03 1.25 0.23 0.00 0.00 176.91 178.94 1r9j h HIS 298 N 1.07 0.30 -0.17 1.39 -0.00 -1.08 -2.85 115.15 113.81 1r9j h HIS 298 Ca 0.30 -0.06 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1r9j h HIS 298 Cb -0.09 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1r9j h HIS 298 CO -0.02 0.55 -0.06 0.82 -0.00 0.00 0.00 177.93 179.22 1r9j h ILE 299 N -0.04 1.15 -0.70 6.26 5.03 -0.63 -1.82 117.51 126.76 1r9j h ILE 299 Ca 0.04 -0.61 -0.03 0.00 -0.12 0.00 0.00 64.86 64.13 1r9j h ILE 299 Cb 0.45 1.09 -0.03 0.00 -3.03 0.00 0.00 36.82 35.30 1r9j h ILE 299 CO 0.01 0.20 0.32 0.44 -0.68 0.00 0.00 178.15 178.44 1r9j h ASP 300 N 0.25 0.93 0.03 1.72 3.32 -0.70 0.15 116.42 122.11 1r9j h ASP 300 Ca 0.06 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1r9j h ASP 300 Cb 0.27 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1r9j h ASP 300 CO 0.01 0.82 -0.01 0.11 -1.72 0.00 0.00 179.24 178.44 1r9j h LYS 301 N 0.98 -0.04 -0.13 3.56 1.57 -1.16 -1.73 116.57 119.63 1r9j h LYS 301 Ca 0.24 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1r9j h LYS 301 Cb 0.15 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1r9j h LYS 301 CO -0.03 0.18 -0.03 0.00 -0.57 0.00 0.00 179.45 179.00 1r9j h SER 303 N 0.18 0.71 -0.13 0.00 0.87 -0.43 -0.67 113.55 114.09 1r9j h SER 303 Ca 0.04 -0.22 -0.14 0.00 -1.23 0.00 0.00 61.79 60.24 1r9j h SER 303 Cb 0.18 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1r9j h SER 303 CO 0.01 0.87 -0.41 0.00 -0.53 0.00 0.00 176.83 176.77 1r9j h ALA 304 N 1.20 0.77 -0.75 6.23 0.00 -0.32 -2.39 119.26 124.00 1r9j h ALA 304 Ca 0.11 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1r9j h ALA 304 Cb 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1r9j h ALA 304 CO 0.04 0.66 0.28 0.93 0.00 0.00 0.00 179.25 181.16 1r9j h GLU 305 N 0.54 1.13 -0.15 0.00 5.08 -0.65 -0.38 114.58 120.15 1r9j h GLU 305 Ca 0.04 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1r9j h GLU 305 Cb 0.94 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1r9j h GLU 305 CO 0.08 0.92 0.03 0.37 -1.00 0.00 0.00 179.01 179.42 1r9j h GLN 306 N 1.10 0.24 -0.54 2.33 4.15 -0.93 0.34 115.11 121.79 1r9j h GLN 306 Ca 0.25 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.66 1r9j h GLN 306 Cb 0.23 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 1r9j h GLN 306 CO -0.02 0.41 0.28 -0.22 -1.93 0.00 0.00 178.83 177.35 1r9j h LYS 307 N 0.03 0.52 -0.51 1.69 3.64 -1.19 0.50 116.57 121.25 1r9j h LYS 307 Ca 0.05 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1r9j h LYS 307 Cb 0.28 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1r9j h LYS 307 CO 0.00 0.35 0.08 0.00 -2.27 0.00 0.00 179.45 177.61 1r9j h ALA 308 N 1.29 1.18 -0.62 5.00 0.00 -0.84 -1.35 119.26 123.92 1r9j h ALA 308 Ca 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1r9j h ALA 308 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1r9j h ALA 308 CO -0.16 0.55 0.14 2.35 0.00 0.00 0.00 179.25 182.12 1r9j h TRP 309 N 0.77 1.05 -0.44 0.00 7.01 0.14 -1.05 115.95 123.43 1r9j h TRP 309 Ca 0.16 -0.13 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1r9j h TRP 309 Cb 0.35 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 1r9j h TRP 309 CO 0.02 0.89 0.13 0.93 -2.79 0.00 0.00 178.44 177.62 1r9j h GLU 310 N 0.91 0.65 -0.20 2.65 5.08 0.54 -0.54 114.58 123.68 1r9j h GLU 310 Ca 0.19 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 1r9j h GLU 310 Cb 0.38 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1r9j h GLU 310 CO 0.01 0.58 -0.58 0.93 -1.00 0.00 0.00 179.01 178.94 1r9j h GLU 311 N 0.64 0.64 -0.63 2.33 5.08 -0.86 -1.97 114.58 119.81 1r9j h GLU 311 Ca 0.15 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1r9j h GLU 311 Cb 0.20 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1r9j h GLU 311 CO -0.01 1.04 0.10 1.25 -1.00 0.00 0.00 179.01 180.39 1r9j h LEU 312 N 0.48 0.97 -1.07 1.33 5.85 -0.56 -1.56 115.31 120.76 1r9j h LEU 312 Ca 0.00 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 1r9j h LEU 312 Cb 1.15 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1r9j h LEU 312 CO 0.11 0.97 -0.29 0.25 -0.34 0.00 0.00 178.44 179.14 1r9j h LEU 313 N 0.96 0.30 -0.43 2.25 5.85 -0.99 -0.59 115.31 122.67 1r9j h LEU 313 Ca 0.19 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 1r9j h LEU 313 Cb 0.41 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1r9j h LEU 313 CO 0.01 0.59 -0.31 0.00 -0.34 0.00 0.00 178.44 178.39 1r9j h ALA 314 N 1.43 0.62 -0.42 1.25 0.00 -0.76 -0.36 119.26 121.02 1r9j h ALA 314 Ca 0.04 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1r9j h ALA 314 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1r9j h ALA 314 CO 0.05 0.67 -0.13 0.87 0.00 0.00 0.00 179.25 180.72 1r9j h LYS 315 N 0.81 0.83 -0.54 0.00 1.57 -1.01 -2.25 116.57 115.99 1r9j h LYS 315 Ca 0.08 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1r9j h LYS 315 Cb 0.90 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 1r9j h LYS 315 CO 0.08 0.96 0.32 -0.92 -0.57 0.00 0.00 179.45 179.32 1r9j h TYR 316 N 0.66 0.59 0.00 -1.35 3.20 -0.99 -1.42 116.97 117.66 1r9j h TYR 316 Ca 0.10 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1r9j h TYR 316 Cb 0.67 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1r9j h TYR 316 CO 0.05 0.33 -0.23 1.15 -1.64 0.00 0.00 178.16 177.82 1r9j h THR 317 N 0.63 0.82 0.05 1.81 2.02 -0.91 0.22 112.91 117.54 1r9j h THR 317 Ca 0.22 -0.91 -0.23 0.00 0.77 0.00 0.00 66.41 66.26 1r9j h THR 317 Cb 0.04 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1r9j h THR 317 CO -0.10 0.22 -1.05 0.00 0.37 0.00 0.00 175.52 174.96 1r9j h ALA 318 N 1.77 0.30 0.00 6.16 0.00 -0.72 -2.68 119.26 124.10 1r9j h ALA 318 Ca -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 1r9j h ALA 318 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1r9j h ALA 318 CO 0.03 0.98 -0.77 0.00 0.00 0.00 0.00 179.25 179.49 1r9j h ALA 319 N 0.79 0.66 -2.06 0.00 0.00 -0.94 -3.40 119.26 114.32 1r9j h ALA 319 Ca -0.08 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.10 1r9j h ALA 319 Cb 1.74 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 19.17 1r9j h ALA 319 CO 0.16 0.19 -1.04 1.19 0.00 0.00 0.00 179.25 179.75 1r9j n PHE 320 N -2.86 -0.00 -0.18 0.00 3.72 0.73 -5.01 117.46 113.86 1r9j n PHE 320 Ca -0.00 -3.60 -0.08 0.00 -0.05 0.00 0.00 57.45 53.71 1r9j n PHE 320 Cb 0.60 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1r9j n PHE 320 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1r9j h PRO 321 N 4.17 -0.24 0.03 -1.08 0.11 -1.69 0.15 132.00 133.46 1r9j h PRO 321 Ca 0.10 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.24 1r9j h PRO 321 Cb 0.86 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1r9j h PRO 321 CO 0.49 -0.16 -0.09 0.00 -0.21 0.00 0.00 178.00 178.04 1r9j h ALA 322 N 0.63 -0.12 -0.58 -0.75 0.00 -1.95 -1.76 119.26 114.73 1r9j h ALA 322 Ca 0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1r9j h ALA 322 Cb 0.57 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1r9j h ALA 322 CO -0.65 -0.59 0.28 0.93 0.00 0.00 0.00 179.25 179.22 1r9j h GLU 323 N -0.17 0.84 -0.55 0.00 3.07 -1.88 -1.27 114.58 114.61 1r9j h GLU 323 Ca 0.02 -0.12 0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1r9j h GLU 323 Cb 0.19 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 1r9j h GLU 323 CO -0.07 0.68 0.30 0.78 -1.40 0.00 0.00 179.01 179.30 1r9j h GLY 324 N 0.79 0.78 0.95 -3.84 0.00 -0.83 0.29 103.07 101.22 1r9j h GLY 324 Ca 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1r9j h GLY 324 CO -0.03 0.16 0.18 0.00 0.00 0.00 0.00 176.54 176.85 1r9j h ALA 325 N 1.28 0.51 -0.61 3.60 0.00 -1.03 -2.24 119.26 120.76 1r9j h ALA 325 Ca 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1r9j h ALA 325 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1r9j h ALA 325 CO -0.14 0.08 0.29 0.00 0.00 0.00 0.00 179.25 179.48 1r9j h ALA 326 N 1.03 0.79 0.30 0.00 0.00 -0.64 -0.99 119.26 119.76 1r9j h ALA 326 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r9j h ALA 326 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1r9j h ALA 326 CO -0.02 0.35 -0.31 0.35 0.00 0.00 0.00 179.25 179.63 1r9j h PHE 327 N 0.84 -0.83 -0.71 0.00 3.57 -0.22 0.21 116.94 119.80 1r9j h PHE 327 Ca 0.21 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.77 1r9j h PHE 327 Cb 0.12 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1r9j h PHE 327 CO 0.00 -0.44 0.42 0.28 -2.23 0.00 0.00 178.31 176.35 1r9j h VAL 328 N -0.64 1.03 0.00 1.41 2.07 -1.31 -0.98 116.25 117.83 1r9j h VAL 328 Ca -0.01 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1r9j h VAL 328 Cb 0.59 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1r9j h VAL 328 CO -0.07 0.15 -0.00 0.00 0.02 0.00 0.00 177.57 177.67 1r9j h ALA 329 N 1.34 -0.00 -0.50 1.67 0.00 -0.84 -2.88 119.26 118.04 1r9j h ALA 329 Ca 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1r9j h ALA 329 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1r9j h ALA 329 CO -0.15 -0.42 0.31 1.96 0.00 0.00 0.00 179.25 180.94 1r9j h GLN 330 N -0.16 0.67 0.00 0.00 4.20 -0.28 -1.13 115.11 118.41 1r9j h GLN 330 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1r9j h GLN 330 Cb 0.16 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1r9j h GLN 330 CO 0.00 0.48 0.00 0.52 -0.67 0.00 0.00 178.83 179.16 1r9j h MET 331 N 0.67 0.00 -0.01 1.46 2.86 -1.17 0.93 114.93 119.66 1r9j h MET 331 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1r9j h MET 331 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1r9j h MET 331 CO -0.03 0.00 -0.38 0.54 1.06 0.00 0.00 176.91 178.09 1r9j n ARG 332 N -2.81 0.99 -1.09 1.72 1.74 -0.48 -4.33 116.66 112.40 1r9j n ARG 332 Ca -0.02 -0.72 -0.03 0.00 -0.77 0.00 0.00 57.85 56.31 1r9j n ARG 332 Cb 0.08 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 1r9j n ARG 332 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r9j n GLY 333 N 1.38 0.62 3.74 -0.13 0.00 0.31 -5.01 105.19 106.11 1r9j n GLY 333 Ca 0.11 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1r9j n GLY 333 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r9j s GLU 334 N -1.99 4.70 -0.10 1.61 2.02 -0.91 -5.02 118.70 119.00 1r9j s GLU 334 Ca 0.00 1.58 -0.13 0.00 0.02 0.00 0.00 54.97 56.44 1r9j s GLU 334 Cb 0.00 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 1r9j s GLU 334 CO 0.00 0.24 0.30 -0.51 0.02 0.00 0.00 175.26 175.31 1r9j s LEU 335 N -0.52 4.35 0.18 1.80 1.43 -1.26 -4.56 118.68 120.09 1r9j s LEU 335 Ca 0.46 0.65 -0.32 0.00 -1.03 0.00 0.00 54.13 53.89 1r9j s LEU 335 Cb -0.27 -2.38 -0.11 0.00 0.03 0.00 0.00 46.19 43.46 1r9j s LEU 335 CO 0.33 0.23 1.70 -2.84 0.23 0.00 0.00 176.35 176.01 1r9j s PRO 336 N -0.33 4.15 0.83 1.29 0.02 -1.26 -4.93 135.00 134.77 1r9j s PRO 336 Ca 0.19 2.53 -0.13 0.00 0.02 0.00 0.00 61.00 63.61 1r9j s PRO 336 Cb -0.14 -3.22 0.07 0.00 0.02 0.00 0.00 34.50 31.23 1r9j s PRO 336 CO 0.07 -0.74 0.99 -1.13 -0.33 0.00 0.00 177.00 175.87 1r9j n SER 337 N 4.38 0.21 0.00 2.53 3.41 -1.26 -3.66 113.62 119.23 1r9j n SER 337 Ca 0.16 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 1r9j n SER 337 Cb 0.37 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1r9j n SER 337 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r9j n GLY 338 N 0.79 1.19 0.23 5.00 0.00 -1.26 -4.96 105.19 106.19 1r9j n GLY 338 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1r9j n GLY 338 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1r9j h TRP 339 N 0.00 0.81 -0.59 1.61 5.08 -1.93 -3.24 115.95 117.69 1r9j h TRP 339 Ca 0.00 -0.10 -0.01 0.00 1.08 0.00 0.00 58.89 59.86 1r9j h TRP 339 Cb 0.00 -0.23 -0.03 0.00 -3.00 0.00 0.00 29.16 25.91 1r9j h TRP 339 CO 0.00 0.74 0.32 1.49 -1.28 0.00 0.00 178.44 179.71 1r9j h GLU 340 N 0.65 0.82 0.00 0.12 4.81 -1.92 -2.55 114.58 116.50 1r9j h GLU 340 Ca 0.15 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1r9j h GLU 340 Cb 0.34 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1r9j h GLU 340 CO 0.00 0.63 0.03 0.00 -0.73 0.00 0.00 179.01 178.94 1r9j h ALA 341 N 1.15 1.03 0.00 2.92 0.00 -1.99 -1.85 119.26 120.51 1r9j h ALA 341 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1r9j h ALA 341 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1r9j h ALA 341 CO -0.03 -0.03 -0.42 1.63 0.00 0.00 0.00 179.25 180.40 1r9j n LYS 342 N -2.97 0.19 -1.85 0.00 5.02 -0.96 -4.94 118.16 112.64 1r9j n LYS 342 Ca -0.03 0.08 -0.38 0.00 -2.02 0.00 0.00 58.31 55.96 1r9j n LYS 342 Cb 0.10 -1.64 0.03 0.00 -0.02 0.00 0.00 35.03 33.50 1r9j n LYS 342 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r9j s LEU 343 N -3.85 3.89 0.67 -0.35 1.43 -0.70 -4.99 118.68 114.78 1r9j s LEU 343 Ca 0.09 2.71 -0.15 0.00 -1.03 0.00 0.00 54.13 55.75 1r9j s LEU 343 Cb 0.15 -4.25 0.01 0.00 0.03 0.00 0.00 46.19 42.12 1r9j s LEU 343 CO 0.67 -1.46 1.11 -2.84 0.23 0.00 0.00 176.35 174.07 1r9j s PRO 344 N -2.85 2.73 0.32 1.29 0.02 -1.26 -5.09 135.00 130.16 1r9j s PRO 344 Ca 0.70 1.39 0.06 0.00 0.02 0.00 0.00 61.00 63.16 1r9j s PRO 344 Cb -0.39 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.13 1r9j s PRO 344 CO 0.46 -1.30 -0.00 0.95 -0.33 0.00 0.00 177.00 176.78 1r9j s THR 345 N -2.36 1.54 0.38 0.99 -4.23 -1.26 -4.40 115.64 106.30 1r9j s THR 345 Ca 0.67 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.88 1r9j s THR 345 Cb -0.21 -2.68 -0.13 0.00 1.34 0.00 0.00 72.50 70.82 1r9j s THR 345 CO 0.43 -0.13 0.68 0.59 -0.54 0.00 0.00 174.62 175.64 1r9j n ASN 346 N -0.69 -0.29 0.00 3.99 3.02 -1.26 -4.71 115.26 115.31 1r9j n ASN 346 Ca -0.04 0.98 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 1r9j n ASN 346 Cb 0.65 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1r9j n ASN 346 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1r9j n SER 347 N 1.21 0.00 -4.95 6.41 7.64 -1.26 -5.01 113.62 117.66 1r9j n SER 347 Ca 0.11 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.76 1r9j n SER 347 Cb 0.37 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1r9j n SER 347 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1r9j s SER 348 N 1.45 5.53 -0.16 6.43 0.01 -1.26 -4.90 113.70 120.80 1r9j s SER 348 Ca 0.00 0.29 -0.29 0.00 1.31 0.00 0.00 55.95 57.26 1r9j s SER 348 Cb 0.00 -1.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.89 1r9j s SER 348 CO 0.00 -0.98 1.23 0.00 0.41 0.00 0.00 173.24 173.90 1r9j s ALA 349 N -2.76 3.65 0.11 1.44 0.00 -1.26 -4.76 121.76 118.18 1r9j s ALA 349 Ca 0.53 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.90 1r9j s ALA 349 Cb -0.10 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1r9j s ALA 349 CO 0.40 -1.12 0.10 0.96 0.00 0.00 0.00 175.76 176.10 1r9j s ILE 350 N 3.34 0.13 0.47 0.00 -4.36 -1.19 -4.80 121.20 114.79 1r9j s ILE 350 Ca 0.54 -1.70 -0.22 0.00 -0.26 0.00 0.00 60.65 59.01 1r9j s ILE 350 Cb -0.21 -1.80 -0.07 0.00 1.25 0.00 0.00 42.46 41.63 1r9j s ILE 350 CO 0.14 -0.58 1.14 0.00 0.24 0.00 0.00 174.94 175.89 1r9j s ALA 351 N -3.98 2.93 -0.12 2.27 0.00 -1.26 -1.93 121.76 119.67 1r9j s ALA 351 Ca 0.16 0.87 0.29 0.00 0.00 0.00 0.00 51.96 53.29 1r9j s ALA 351 Cb 0.06 -3.36 1.31 0.00 0.00 0.00 0.00 23.12 21.13 1r9j s ALA 351 CO -0.03 -0.62 1.86 1.79 0.00 0.00 0.00 175.76 178.77 1r9j h THR 352 N 1.76 0.00 -0.57 0.00 1.35 -1.76 -0.63 112.91 113.05 1r9j h THR 352 Ca -0.49 -0.24 -0.08 0.00 -0.55 0.00 0.00 66.41 65.04 1r9j h THR 352 Cb 1.25 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 1r9j h THR 352 CO 0.60 0.00 0.04 -0.09 -0.25 0.00 0.00 175.52 175.82 1r9j h ARG 353 N 0.00 0.96 0.08 4.72 2.43 -1.82 0.92 114.38 121.66 1r9j h ARG 353 Ca 0.00 -0.26 -0.27 0.00 -0.81 0.00 0.00 59.98 58.64 1r9j h ARG 353 Cb 0.30 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1r9j h ARG 353 CO 0.00 0.92 -1.13 -0.22 -1.51 0.00 0.00 179.97 178.02 1r9j h LYS 354 N 0.89 0.49 -0.78 0.20 1.63 -1.43 -3.02 116.57 114.56 1r9j h LYS 354 Ca 0.17 -0.63 0.03 0.00 -0.85 0.00 0.00 60.65 59.37 1r9j h LYS 354 Cb 0.46 0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 1r9j h LYS 354 CO 0.02 1.26 0.51 0.00 -3.45 0.00 0.00 179.45 177.79 1r9j h ALA 355 N 0.50 1.51 -0.50 5.00 0.00 -0.93 -1.07 119.26 123.77 1r9j h ALA 355 Ca -0.14 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1r9j h ALA 355 Cb 1.80 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1r9j h ALA 355 CO 0.21 0.43 -0.00 1.03 0.00 0.00 0.00 179.25 180.91 1r9j h SER 356 N 0.98 0.87 -0.70 0.00 0.87 -0.80 -2.20 113.55 112.57 1r9j h SER 356 Ca 0.30 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1r9j h SER 356 Cb -0.01 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 1r9j h SER 356 CO -0.08 0.96 0.45 -0.08 -0.53 0.00 0.00 176.83 177.56 1r9j h GLU 357 N 0.74 0.92 -0.48 2.24 4.81 -1.23 0.36 114.58 121.94 1r9j h GLU 357 Ca 0.14 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1r9j h GLU 357 Cb 0.52 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1r9j h GLU 357 CO 0.03 0.62 0.26 -0.91 -0.73 0.00 0.00 179.01 178.28 1r9j h ASN 358 N 0.94 0.58 -0.12 1.04 2.35 -0.97 0.04 115.58 119.44 1r9j h ASN 358 Ca 0.25 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1r9j h ASN 358 Cb -0.09 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 1r9j h ASN 358 CO -0.05 0.46 -0.06 0.00 -1.65 0.00 0.00 177.43 176.13 1r9j h LEU 360 N -0.11 0.02 -2.02 0.00 3.38 -0.29 0.84 115.31 117.13 1r9j h LEU 360 Ca 0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1r9j h LEU 360 Cb 0.53 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1r9j h LEU 360 CO 0.02 0.05 -0.09 0.00 0.09 0.00 0.00 178.44 178.50 1r9j h ALA 361 N 1.96 1.28 0.05 1.53 0.00 -0.87 -0.84 119.26 122.37 1r9j h ALA 361 Ca 0.01 -0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 1r9j h ALA 361 Cb 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1r9j h ALA 361 CO 0.00 0.12 -2.07 0.28 0.00 0.00 0.00 179.25 177.58 1r9j n VAL 362 N -3.61 1.62 -0.11 0.00 0.31 -0.20 -4.52 118.33 111.82 1r9j n VAL 362 Ca -0.02 -0.47 -0.11 0.00 -0.01 0.00 0.00 64.34 63.74 1r9j n VAL 362 Cb 0.21 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.38 1r9j n VAL 362 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1r9j h LEU 363 N -0.32 0.54 -0.21 7.52 3.38 -0.69 -2.52 115.31 123.00 1r9j h LEU 363 Ca -0.49 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.25 1r9j h LEU 363 Cb 1.79 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.33 1r9j h LEU 363 CO -0.10 0.68 -0.23 -0.26 0.09 0.00 0.00 178.44 178.62 1r9j h PHE 364 N 0.37 -0.62 -0.09 1.13 -1.00 -1.40 0.63 116.94 115.96 1r9j h PHE 364 Ca 0.10 0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.78 1r9j h PHE 364 Cb 0.39 0.31 -0.01 0.00 3.61 0.00 0.00 35.95 40.24 1r9j h PHE 364 CO 0.03 -0.31 -0.53 -1.00 -1.61 0.00 0.00 178.31 174.89 1r9j h PRO 365 N -0.26 0.26 -0.02 1.51 0.13 -1.79 -3.22 132.00 128.62 1r9j h PRO 365 Ca 0.13 -0.16 -0.17 0.00 -0.87 0.00 0.00 66.00 64.93 1r9j h PRO 365 Cb 0.45 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1r9j h PRO 365 CO -0.36 0.73 -0.75 0.00 -0.23 0.00 0.00 178.00 177.38 1r9j h ALA 366 N 1.24 0.70 -3.36 -0.56 0.00 -0.95 -3.39 119.26 112.94 1r9j h ALA 366 Ca 0.00 -0.66 -0.64 0.00 0.00 0.00 0.00 54.91 53.62 1r9j h ALA 366 Cb 1.00 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.29 1r9j h ALA 366 CO 0.08 0.86 -0.66 0.42 0.00 0.00 0.00 179.25 179.96 1r9j s ILE 367 N -3.40 2.37 0.59 0.00 1.01 0.22 -4.65 121.20 117.33 1r9j s ILE 367 Ca -0.02 -3.07 0.30 0.00 0.00 0.00 0.00 60.65 57.85 1r9j s ILE 367 Cb 0.11 -2.66 0.35 0.00 0.01 0.00 0.00 42.46 40.28 1r9j s ILE 367 CO 0.80 -0.79 2.26 1.55 0.00 0.00 0.00 174.94 178.77 1r9j h PRO 368 N 6.69 0.00 0.00 2.79 0.13 -1.77 -1.66 132.00 138.18 1r9j h PRO 368 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1r9j h PRO 368 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1r9j h PRO 368 CO 0.64 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.41 1r9j h ALA 369 N 2.00 1.00 -2.62 -0.56 0.00 -1.90 -3.45 119.26 113.73 1r9j h ALA 369 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1r9j h ALA 369 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.85 1r9j h ALA 369 CO 0.00 0.00 0.98 -0.11 0.00 0.00 0.00 179.25 180.12 1r9j n LEU 370 N -2.47 3.94 -3.72 0.00 7.94 -0.62 -2.05 117.00 120.01 1r9j n LEU 370 Ca 0.03 1.07 -0.16 0.00 -1.11 0.00 0.00 56.01 55.84 1r9j n LEU 370 Cb 0.35 -1.56 -0.16 0.00 0.53 0.00 0.00 43.42 42.58 1r9j n LEU 370 CO 0.26 0.13 -0.30 -0.32 -1.11 0.00 0.00 177.39 176.06 1r9j s MET 371 N 0.99 -0.00 0.00 1.96 -2.45 -0.65 -4.89 119.30 114.25 1r9j s MET 371 Ca 0.74 0.35 0.00 0.00 -1.25 0.00 0.00 55.69 55.54 1r9j s MET 371 Cb -0.52 -0.30 0.00 0.00 1.25 0.00 0.00 34.83 35.26 1r9j s MET 371 CO 0.34 -0.23 0.00 0.41 1.05 0.00 0.00 175.02 176.59 1r9j n GLY 372 N 4.69 4.06 0.00 2.11 0.00 -0.91 -1.80 105.19 113.34 1r9j n GLY 372 Ca -0.17 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1r9j n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r9j n GLY 373 N 0.32 -1.56 3.03 -0.02 0.00 -1.07 0.55 105.19 106.44 1r9j n GLY 373 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1r9j n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r9j s SER 374 N -1.07 0.28 -1.31 1.61 0.15 -1.12 -0.41 113.70 111.83 1r9j s SER 374 Ca 0.00 -0.61 -0.13 0.00 0.70 0.00 0.00 55.95 55.91 1r9j s SER 374 Cb 0.00 0.15 0.12 0.00 -1.71 0.00 0.00 66.02 64.58 1r9j s SER 374 CO 0.00 -0.40 1.82 0.00 1.20 0.00 0.00 173.24 175.86 1r9j n ALA 375 N 1.12 4.68 -3.17 5.45 0.00 -0.23 -2.54 120.51 125.82 1r9j n ALA 375 Ca -0.21 -4.11 -0.23 0.00 0.00 0.00 0.00 53.44 48.90 1r9j n ALA 375 Cb 0.57 -3.25 0.02 0.00 0.00 0.00 0.00 19.45 16.79 1r9j n ALA 375 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r9j n ASP 376 N 5.71 -5.04 -0.73 0.00 2.03 -1.14 -4.45 116.55 112.93 1r9j n ASP 376 Ca 0.44 -0.33 0.04 0.00 0.52 0.00 0.00 54.79 55.45 1r9j n ASP 376 Cb 0.40 -4.11 0.06 0.00 -0.72 0.00 0.00 41.12 36.75 1r9j n ASP 376 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1r9j n LEU 377 N -3.90 1.03 -0.20 -2.67 4.77 -1.26 -4.92 117.00 109.85 1r9j n LEU 377 Ca -0.07 -2.01 -0.01 0.00 -0.03 0.00 0.00 56.01 53.88 1r9j n LEU 377 Cb 0.59 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1r9j n LEU 377 CO 0.49 0.55 0.74 0.74 -1.33 0.00 0.00 177.39 178.58 1r9j h THR 378 N 5.05 0.40 0.00 -5.08 2.02 -1.89 0.39 112.91 113.80 1r9j h THR 378 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1r9j h THR 378 Cb 1.43 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1r9j h THR 378 CO 0.03 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.11 1r9j n PRO 379 N -5.41 0.08 -0.10 6.66 -0.04 -1.26 -1.59 135.00 133.34 1r9j n PRO 379 Ca 0.07 0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 1r9j n PRO 379 Cb 0.31 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 1r9j n PRO 379 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1r9j n SER 380 N -1.43 2.28 0.20 3.54 7.64 0.03 -4.49 113.62 121.40 1r9j n SER 380 Ca 0.05 -0.10 0.10 0.00 1.01 0.00 0.00 58.87 59.93 1r9j n SER 380 Cb 0.17 -0.18 0.19 0.00 -1.01 0.00 0.00 64.21 63.38 1r9j n SER 380 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1r9j h ASN 381 N 0.00 0.00 -5.80 6.43 -0.26 -0.34 -3.48 115.58 112.13 1r9j h ASN 381 Ca -0.45 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 54.93 1r9j h ASN 381 Cb 1.73 0.00 0.13 0.00 -1.06 0.00 0.00 38.32 39.12 1r9j h ASN 381 CO -0.06 0.15 -0.78 0.18 -1.06 0.00 0.00 177.43 175.87 1r9j n LEU 382 N -3.15 -3.70 -1.13 1.61 4.77 -0.62 -4.85 117.00 109.93 1r9j n LEU 382 Ca 0.03 -0.67 0.12 0.00 -0.03 0.00 0.00 56.01 55.46 1r9j n LEU 382 Cb 0.56 -2.99 0.20 0.00 -2.33 0.00 0.00 43.42 38.87 1r9j n LEU 382 CO 0.35 0.41 0.69 0.35 -1.33 0.00 0.00 177.39 177.87 1r9j n THR 383 N -4.26 0.48 -3.22 -5.08 -2.24 -1.25 -4.11 114.28 94.60 1r9j n THR 383 Ca -0.26 -0.74 -0.25 0.00 -2.27 0.00 0.00 64.05 60.54 1r9j n THR 383 Cb 0.66 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.85 1r9j n THR 383 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1r9j n ARG 384 N 1.46 1.85 -1.67 -0.78 0.63 -1.26 -4.82 116.66 112.07 1r9j n ARG 384 Ca 0.19 -4.05 -0.53 0.00 -0.92 0.00 0.00 57.85 52.54 1r9j n ARG 384 Cb 0.60 -1.84 -0.06 0.00 0.45 0.00 0.00 32.46 31.61 1r9j n ARG 384 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1r9j n PRO 385 N 0.71 1.52 -0.20 -0.14 -0.04 -1.26 -4.85 135.00 130.74 1r9j n PRO 385 Ca 0.27 0.56 0.16 0.00 -0.04 0.00 0.00 63.50 64.44 1r9j n PRO 385 Cb 0.49 -2.28 0.49 0.00 -0.04 0.00 0.00 33.50 32.16 1r9j n PRO 385 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r9j h ALA 386 N 6.93 2.11 0.00 0.55 0.00 -1.98 -0.34 119.26 126.53 1r9j h ALA 386 Ca -0.47 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1r9j h ALA 386 Cb 1.30 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1r9j h ALA 386 CO 0.91 -0.34 -0.02 0.66 0.00 0.00 0.00 179.25 180.45 1r9j h SER 387 N 0.44 0.00 0.83 0.00 4.64 -1.96 -2.55 113.55 114.95 1r9j h SER 387 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1r9j h SER 387 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1r9j h SER 387 CO -0.14 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.84 1r9j h ALA 388 N 1.98 1.00 -6.25 5.18 0.00 -1.36 -3.46 119.26 116.35 1r9j h ALA 388 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1r9j h ALA 388 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1r9j h ALA 388 CO 0.00 0.00 -0.86 -1.71 0.00 0.00 0.00 179.25 176.68 1r9j n ASN 389 N -2.65 -1.17 -4.83 0.00 5.15 -0.96 -4.93 115.26 105.88 1r9j n ASN 389 Ca 0.01 -0.91 -0.32 0.00 -0.60 0.00 0.00 54.58 52.76 1r9j n ASN 389 Cb 0.26 -3.63 -0.01 0.00 -0.53 0.00 0.00 39.78 35.86 1r9j n ASN 389 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1r9j s LEU 390 N -6.76 3.54 -0.03 1.20 1.43 -1.26 -5.08 118.68 111.72 1r9j s LEU 390 Ca 0.04 1.65 0.05 0.00 -1.03 0.00 0.00 54.13 54.84 1r9j s LEU 390 Cb -0.01 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.68 1r9j s LEU 390 CO 0.84 -0.84 -0.19 -0.69 0.23 0.00 0.00 176.35 175.70 1r9j s VAL 391 N -2.62 1.56 0.42 -1.59 1.01 -1.26 -5.03 120.40 112.90 1r9j s VAL 391 Ca 0.60 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.53 1r9j s VAL 391 Cb -0.12 -1.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 1r9j s VAL 391 CO 0.36 0.44 1.11 -1.81 0.00 0.00 0.00 175.10 175.20 1r9j s ASP 392 N -0.22 6.49 -0.05 3.32 1.01 -1.26 -1.15 116.67 124.81 1r9j s ASP 392 Ca 0.01 2.18 -0.30 0.00 0.71 0.00 0.00 52.55 55.16 1r9j s ASP 392 Cb -0.10 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.21 1r9j s ASP 392 CO 0.01 -0.69 0.99 0.12 0.21 0.00 0.00 175.17 175.82 1r9j s PHE 393 N -1.59 3.59 0.32 4.23 5.36 0.36 -4.27 117.98 125.98 1r9j s PHE 393 Ca 0.60 1.65 -0.14 0.00 -0.96 0.00 0.00 56.93 58.08 1r9j s PHE 393 Cb -0.26 -3.15 0.02 0.00 -0.34 0.00 0.00 43.02 39.29 1r9j s PHE 393 CO 0.32 -0.12 0.64 -1.54 -1.46 0.00 0.00 175.22 173.06 1r9j s SER 394 N 1.05 0.09 0.49 6.13 1.04 -0.99 -4.74 113.70 116.77 1r9j s SER 394 Ca 0.50 -1.03 0.21 0.00 0.48 0.00 0.00 55.95 56.11 1r9j s SER 394 Cb -0.20 0.73 1.27 0.00 0.10 0.00 0.00 66.02 67.92 1r9j s SER 394 CO 0.23 -1.41 2.05 0.77 0.98 0.00 0.00 173.24 175.87 1r9j h SER 395 N 2.08 0.00 -0.03 7.02 4.64 -1.85 -1.74 113.55 123.67 1r9j h SER 395 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1r9j h SER 395 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1r9j h SER 395 CO 0.35 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 174.91 1r9j n SER 396 N -4.01 2.73 -2.99 4.97 3.41 -1.26 -4.56 113.62 111.92 1r9j n SER 396 Ca -0.02 -1.91 -0.16 0.00 -0.26 0.00 0.00 58.87 56.51 1r9j n SER 396 Cb 0.22 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 1r9j n SER 396 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1r9j n SER 397 N 1.14 -1.20 0.10 4.04 3.41 -0.68 -4.97 113.62 115.45 1r9j n SER 397 Ca 0.15 -3.01 0.10 0.00 -0.26 0.00 0.00 58.87 55.86 1r9j n SER 397 Cb 0.56 0.51 0.44 0.00 -0.26 0.00 0.00 64.21 65.46 1r9j n SER 397 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r9j n LYS 398 N 1.42 0.14 0.00 4.33 5.02 -1.03 -1.75 118.16 126.29 1r9j n LYS 398 Ca 0.16 0.40 0.14 0.00 -2.02 0.00 0.00 58.31 56.98 1r9j n LYS 398 Cb 0.58 -1.78 0.59 0.00 -0.02 0.00 0.00 35.03 34.40 1r9j n LYS 398 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1r9j n GLU 399 N -2.05 0.78 -1.73 1.97 0.00 -1.26 -4.02 120.64 114.33 1r9j n GLU 399 Ca 0.02 -0.30 -0.36 0.00 0.00 0.00 0.00 57.16 56.52 1r9j n GLU 399 Cb 0.20 -1.49 0.07 0.00 0.00 0.00 0.00 31.44 30.21 1r9j n GLU 399 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1r9j s GLY 400 N -2.43 2.73 0.00 -1.84 0.00 -0.72 -4.95 107.32 100.12 1r9j s GLY 400 Ca 0.30 1.11 0.11 0.00 0.00 0.00 0.00 44.72 46.23 1r9j s GLY 400 CO 0.47 1.52 0.82 0.54 0.00 0.00 0.00 173.10 176.45 1r9j n ARG 401 N -2.02 0.75 -4.28 2.90 1.74 -0.30 -4.31 116.66 111.13 1r9j n ARG 401 Ca 0.15 -1.08 -0.34 0.00 -0.77 0.00 0.00 57.85 55.81 1r9j n ARG 401 Cb 0.49 -1.19 -0.14 0.00 -1.02 0.00 0.00 32.46 30.59 1r9j n ARG 401 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1r9j s TYR 402 N -0.98 2.87 -0.21 -1.55 5.04 -1.08 -2.13 117.35 119.30 1r9j s TYR 402 Ca 0.12 -0.93 -0.09 0.00 -2.44 0.00 0.00 57.07 53.73 1r9j s TYR 402 Cb 0.09 -1.97 -0.04 0.00 0.35 0.00 0.00 41.96 40.38 1r9j s TYR 402 CO 0.16 -0.46 0.11 0.42 -1.34 0.00 0.00 175.55 174.44 1r9j s ILE 403 N 1.01 5.01 -0.80 3.14 1.01 0.19 -0.49 121.20 130.27 1r9j s ILE 403 Ca -0.01 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.51 1r9j s ILE 403 Cb -0.15 -3.30 0.14 0.00 0.01 0.00 0.00 42.46 39.16 1r9j s ILE 403 CO -0.01 0.40 0.92 -0.13 0.00 0.00 0.00 174.94 176.12 1r9j s ARG 404 N 0.80 3.42 0.49 2.79 1.81 -1.26 -2.80 118.95 124.20 1r9j s ARG 404 Ca 0.06 -1.75 0.28 0.00 -1.72 0.00 0.00 55.73 52.60 1r9j s ARG 404 Cb -0.13 -4.59 0.98 0.00 -0.45 0.00 0.00 34.95 30.76 1r9j s ARG 404 CO 0.02 -1.61 1.84 0.74 -0.68 0.00 0.00 175.30 175.62 1r9j h PHE 405 N 8.73 0.00 -0.29 -0.53 -1.00 -1.89 -3.49 116.94 118.48 1r9j h PHE 405 Ca -0.00 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1r9j h PHE 405 Cb 1.05 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.60 1r9j h PHE 405 CO 1.04 0.07 -0.01 0.41 -1.61 0.00 0.00 178.31 178.20 1r9j n GLY 406 N 0.36 -2.01 2.69 -1.45 0.00 -1.25 -4.14 105.19 99.39 1r9j n GLY 406 Ca 0.01 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 1r9j n GLY 406 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1r9j n VAL 407 N -0.49 3.41 -3.19 1.61 0.31 -1.26 -2.89 118.33 115.84 1r9j n VAL 407 Ca 0.00 -2.77 -0.21 0.00 -0.01 0.00 0.00 64.34 61.35 1r9j n VAL 407 Cb 0.02 -2.57 -0.05 0.00 -0.91 0.00 0.00 33.84 30.33 1r9j n VAL 407 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1r9j n ARG 408 N 5.74 0.98 -0.16 5.55 1.74 -1.26 -4.99 116.66 124.26 1r9j n ARG 408 Ca 0.56 -3.40 -0.02 0.00 -0.77 0.00 0.00 57.85 54.22 1r9j n ARG 408 Cb 0.36 -1.54 0.07 0.00 -1.02 0.00 0.00 32.46 30.33 1r9j n ARG 408 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1r9j h GLU 409 N 3.44 0.18 0.17 5.56 3.07 -1.91 -0.52 114.58 124.56 1r9j h GLU 409 Ca 0.09 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1r9j h GLU 409 Cb 0.91 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1r9j h GLU 409 CO 0.50 0.12 -0.08 1.25 -1.40 0.00 0.00 179.01 179.40 1r9j h HIS 410 N 0.18 -0.21 -0.11 4.33 2.76 -1.90 -1.85 115.15 118.35 1r9j h HIS 410 Ca 0.26 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1r9j h HIS 410 Cb 0.37 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1r9j h HIS 410 CO -0.26 -0.07 -0.16 0.00 -1.30 0.00 0.00 177.93 176.14 1r9j h ALA 411 N 0.50 1.53 0.09 5.26 0.00 -1.77 -1.55 119.26 123.32 1r9j h ALA 411 Ca -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1r9j h ALA 411 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1r9j h ALA 411 CO 0.04 0.34 -0.04 1.98 0.00 0.00 0.00 179.25 181.56 1r9j h MET 412 N 0.16 -0.11 -0.72 0.00 -1.53 -0.77 0.12 114.93 112.07 1r9j h MET 412 Ca 0.03 0.01 -0.04 0.00 -3.44 0.00 0.00 59.70 56.26 1r9j h MET 412 Cb 0.39 0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.43 1r9j h MET 412 CO 0.02 -0.06 0.30 0.00 0.14 0.00 0.00 176.91 177.32 1r9j h ALA 414 N 1.28 0.99 -0.32 0.00 0.00 -1.08 -2.66 119.26 117.48 1r9j h ALA 414 Ca 0.25 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1r9j h ALA 414 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1r9j h ALA 414 CO -0.02 0.65 -0.41 0.82 0.00 0.00 0.00 179.25 180.28 1r9j h ILE 415 N 0.21 1.28 -0.99 0.00 2.04 -0.12 -2.41 117.51 117.52 1r9j h ILE 415 Ca 0.01 -1.59 0.03 0.00 1.00 0.00 0.00 64.86 64.31 1r9j h ILE 415 Cb 0.94 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1r9j h ILE 415 CO 0.08 0.52 0.65 -0.07 0.00 0.00 0.00 178.15 179.33 1r9j h LEU 416 N 0.64 1.10 -0.86 1.44 3.38 -0.74 0.09 115.31 120.36 1r9j h LEU 416 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1r9j h LEU 416 Cb 0.97 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1r9j h LEU 416 CO 0.09 0.77 0.46 0.78 0.09 0.00 0.00 178.44 180.63 1r9j h ASN 417 N 1.29 1.09 -0.43 -0.43 2.35 -1.17 -1.67 115.58 116.60 1r9j h ASN 417 Ca 0.38 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.93 1r9j h ASN 417 Cb -0.06 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 1r9j h ASN 417 CO -0.10 0.89 -0.08 1.23 -1.65 0.00 0.00 177.43 177.71 1r9j h GLY 418 N 1.21 0.95 0.99 2.83 0.00 -0.73 -1.18 103.07 107.15 1r9j h GLY 418 Ca 0.30 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1r9j h GLY 418 CO -0.05 0.66 0.20 1.41 0.00 0.00 0.00 176.54 178.76 1r9j h LEU 419 N 0.80 0.81 -0.74 3.11 3.38 -0.65 -2.45 115.31 119.57 1r9j h LEU 419 Ca 0.14 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1r9j h LEU 419 Cb 0.59 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1r9j h LEU 419 CO 0.04 0.78 -0.08 -0.78 0.09 0.00 0.00 178.44 178.49 1r9j h ASP 420 N 0.79 0.87 0.60 -0.43 3.58 -1.09 -2.89 116.42 117.85 1r9j h ASP 420 Ca 0.19 -0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 1r9j h ASP 420 Cb 0.25 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 1r9j h ASP 420 CO -0.01 0.98 -0.16 0.00 -2.88 0.00 0.00 179.24 177.17 1r9j h ALA 421 N 1.10 1.16 -0.12 -0.78 0.00 -0.97 -3.22 119.26 116.43 1r9j h ALA 421 Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1r9j h ALA 421 Cb 0.59 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1r9j h ALA 421 CO 0.04 0.20 -0.08 1.25 0.00 0.00 0.00 179.25 180.66 1r9j h HIS 422 N 0.00 0.32 0.00 0.00 -0.00 -1.22 -3.50 115.15 110.75 1r9j h HIS 422 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1r9j h HIS 422 Cb 0.50 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1r9j h HIS 422 CO 0.00 0.63 0.00 -0.25 -0.00 0.00 0.00 177.93 178.31 1r9j n ASP 423 N -4.66 0.00 0.00 3.26 8.00 -1.22 -5.01 116.55 116.92 1r9j n ASP 423 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1r9j n ASP 423 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1r9j n ASP 423 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r9j n GLY 424 N 1.45 0.77 3.06 0.44 0.00 -1.18 -4.89 105.19 104.84 1r9j n GLY 424 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1r9j n GLY 424 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9j s ILE 425 N -2.83 0.76 -0.45 -0.61 -1.09 -1.26 -4.78 121.20 110.94 1r9j s ILE 425 Ca 0.00 -0.70 0.03 0.00 -2.23 0.00 0.00 60.65 57.75 1r9j s ILE 425 Cb 0.00 -0.69 0.12 0.00 -1.58 0.00 0.00 42.46 40.31 1r9j s ILE 425 CO 0.00 0.01 0.21 -0.63 -1.23 0.00 0.00 174.94 173.29 1r9j s ILE 426 N -0.64 2.07 0.31 2.92 1.01 -0.87 -4.66 121.20 121.34 1r9j s ILE 426 Ca -0.00 -2.80 -0.22 0.00 0.00 0.00 0.00 60.65 57.63 1r9j s ILE 426 Cb -0.06 -2.46 -0.09 0.00 0.01 0.00 0.00 42.46 39.85 1r9j s ILE 426 CO 0.00 -0.79 0.85 -2.16 0.00 0.00 0.00 174.94 172.85 1r9j s PRO 427 N 0.23 4.33 -0.02 2.79 0.04 -1.25 -1.64 135.00 139.48 1r9j s PRO 427 Ca 0.16 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 1r9j s PRO 427 Cb -0.24 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.66 1r9j s PRO 427 CO -0.03 0.24 0.24 -0.59 0.04 0.00 0.00 177.00 176.90 1r9j s PHE 428 N -1.75 -0.11 0.01 0.56 -0.12 -0.74 -2.12 117.98 113.71 1r9j s PHE 428 Ca 0.51 0.18 0.01 0.00 -0.05 0.00 0.00 56.93 57.58 1r9j s PHE 428 Cb -0.15 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.27 1r9j s PHE 428 CO 0.20 -0.32 -0.03 0.20 -0.05 0.00 0.00 175.22 175.22 1r9j s GLY 429 N -1.14 0.21 0.19 1.99 0.00 -0.29 -2.60 107.32 105.68 1r9j s GLY 429 Ca -0.12 -0.36 0.11 0.00 0.00 0.00 0.00 44.72 44.35 1r9j s GLY 429 CO 0.03 -0.39 -0.24 -0.32 0.00 0.00 0.00 173.10 172.18 1r9j s GLY 430 N -0.78 1.71 0.01 0.20 0.00 0.45 -0.41 107.32 108.50 1r9j s GLY 430 Ca -0.07 -1.64 -0.28 0.00 0.00 0.00 0.00 44.72 42.74 1r9j s GLY 430 CO -0.00 -1.66 1.25 -1.08 0.00 0.00 0.00 173.10 171.61 1r9j s THR 431 N -1.66 0.00 0.26 0.90 -1.32 -0.95 -1.06 115.64 111.80 1r9j s THR 431 Ca 0.21 -0.24 -0.30 0.00 -1.21 0.00 0.00 61.69 60.16 1r9j s THR 431 Cb -0.08 -2.75 -0.09 0.00 -1.51 0.00 0.00 72.50 68.07 1r9j s THR 431 CO 0.10 0.00 1.12 -0.36 -2.21 0.00 0.00 174.62 173.27 1r9j s PHE 432 N -2.13 3.53 0.24 9.09 0.08 -1.26 -2.07 117.98 125.46 1r9j s PHE 432 Ca 0.25 1.63 -0.06 0.00 0.12 0.00 0.00 56.93 58.88 1r9j s PHE 432 Cb 0.00 -3.33 0.43 0.00 -0.57 0.00 0.00 43.02 39.56 1r9j s PHE 432 CO -0.01 -0.72 1.69 1.25 -0.10 0.00 0.00 175.22 177.34 1r9j h LEU 433 N 4.14 0.02 -2.07 -0.37 5.85 -1.01 -0.67 115.31 121.21 1r9j h LEU 433 Ca -0.46 0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.50 1r9j h LEU 433 Cb 1.21 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1r9j h LEU 433 CO 0.68 -0.02 0.34 -1.13 -0.34 0.00 0.00 178.44 177.97 1r9j h ASN 434 N 0.28 0.00 -0.56 1.25 -1.24 -1.82 -0.28 115.58 113.20 1r9j h ASN 434 Ca 0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.41 1r9j h ASN 434 Cb 0.65 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.70 1r9j h ASN 434 CO -0.48 0.00 0.00 0.49 -1.29 0.00 0.00 177.43 176.15 1r9j n PHE 435 N -3.94 0.75 0.24 0.67 3.72 -0.26 -3.33 117.46 115.32 1r9j n PHE 435 Ca 0.06 -0.38 0.13 0.00 -0.05 0.00 0.00 57.45 57.22 1r9j n PHE 435 Cb 0.51 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.57 1r9j n PHE 435 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1r9j h ILE 436 N 3.45 0.27 0.00 4.37 1.08 -1.05 -2.06 117.51 123.57 1r9j h ILE 436 Ca 0.00 -0.87 -0.00 0.00 -0.39 0.00 0.00 64.86 63.60 1r9j h ILE 436 Cb 0.79 1.69 -0.00 0.00 -3.07 0.00 0.00 36.82 36.23 1r9j h ILE 436 CO 0.00 0.11 -0.01 1.23 -0.69 0.00 0.00 178.15 178.79 1r9j h GLY 437 N 2.29 0.00 2.00 5.37 0.00 -1.70 0.25 103.07 111.28 1r9j h GLY 437 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r9j h GLY 437 CO 0.01 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.58 1r9j h TYR 438 N 0.00 0.00 -0.14 5.60 -1.99 -1.62 -3.32 116.97 115.50 1r9j h TYR 438 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1r9j h TYR 438 Cb 0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1r9j h TYR 438 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1r9j n ALA 439 N -2.00 2.53 0.25 3.88 0.00 0.87 -4.39 120.51 121.65 1r9j n ALA 439 Ca 0.04 -2.21 0.16 0.00 0.00 0.00 0.00 53.44 51.42 1r9j n ALA 439 Cb 0.45 -0.48 0.86 0.00 0.00 0.00 0.00 19.45 20.28 1r9j n ALA 439 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1r9j h LEU 440 N 0.91 0.00 -0.51 0.00 3.38 -1.61 -1.47 115.31 116.02 1r9j h LEU 440 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1r9j h LEU 440 Cb 1.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1r9j h LEU 440 CO 0.09 0.00 0.30 1.23 0.09 0.00 0.00 178.44 180.15 1r9j h GLY 441 N 0.00 0.72 1.51 0.83 0.00 -1.90 -0.74 103.07 103.48 1r9j h GLY 441 Ca 0.04 -0.23 -0.26 0.00 0.00 0.00 0.00 47.33 46.88 1r9j h GLY 441 CO -0.00 0.19 -1.14 0.00 0.00 0.00 0.00 176.54 175.59 1r9j h ALA 442 N 1.23 0.17 -0.94 3.60 0.00 -1.65 -3.17 119.26 118.49 1r9j h ALA 442 Ca 0.20 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1r9j h ALA 442 Cb 0.02 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1r9j h ALA 442 CO -0.09 0.85 0.57 0.28 0.00 0.00 0.00 179.25 180.85 1r9j h VAL 443 N 0.17 1.26 -0.90 0.00 2.07 -1.09 -1.59 116.25 116.17 1r9j h VAL 443 Ca -0.13 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1r9j h VAL 443 Cb 1.82 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1r9j h VAL 443 CO 0.20 0.27 0.48 -0.09 0.02 0.00 0.00 177.57 178.45 1r9j h ARG 444 N 1.30 1.26 0.00 1.57 2.43 -1.18 -2.13 114.38 117.62 1r9j h ARG 444 Ca 0.34 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1r9j h ARG 444 Cb -0.06 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 1r9j h ARG 444 CO -0.06 0.93 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.84 1r9j h LEU 445 N 1.26 0.00 -0.53 3.80 3.38 -1.40 -0.33 115.31 121.49 1r9j h LEU 445 Ca 0.32 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 1r9j h LEU 445 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1r9j h LEU 445 CO -0.05 0.41 -0.09 0.00 0.09 0.00 0.00 178.44 178.80 1r9j h ALA 446 N 1.59 0.73 -0.25 1.53 0.00 -0.67 0.14 119.26 122.33 1r9j h ALA 446 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1r9j h ALA 446 Cb 0.91 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1r9j h ALA 446 CO 0.05 0.63 -0.08 0.00 0.00 0.00 0.00 179.25 179.85 1r9j h ALA 447 N 0.92 0.34 -0.44 0.00 0.00 -1.11 -0.33 119.26 118.65 1r9j h ALA 447 Ca 0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1r9j h ALA 447 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1r9j h ALA 447 CO 0.05 0.16 0.06 0.82 0.00 0.00 0.00 179.25 180.33 1r9j h ILE 448 N 0.22 1.25 -0.01 0.00 2.04 -0.94 -3.10 117.51 116.98 1r9j h ILE 448 Ca 0.06 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1r9j h ILE 448 Cb 0.56 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1r9j h ILE 448 CO 0.03 0.32 -0.04 -1.20 0.00 0.00 0.00 178.15 177.26 1r9j n SER 449 N -4.47 0.73 -3.17 1.72 7.64 0.46 -4.95 113.62 111.60 1r9j n SER 449 Ca -0.00 -1.08 -0.17 0.00 1.01 0.00 0.00 58.87 58.63 1r9j n SER 449 Cb 0.25 -0.01 0.08 0.00 -1.01 0.00 0.00 64.21 63.52 1r9j n SER 449 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1r9j n HIS 450 N -0.52 -2.17 -3.18 1.43 8.25 -0.48 -4.99 115.22 113.56 1r9j n HIS 450 Ca 0.19 0.85 -0.37 0.00 -0.26 0.00 0.00 57.72 58.14 1r9j n HIS 450 Cb 0.25 -4.65 -0.06 0.00 1.12 0.00 0.00 29.99 26.65 1r9j n HIS 450 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1r9j s HIS 451 N -3.30 3.69 -0.76 4.41 3.76 -0.26 -4.46 115.29 118.37 1r9j s HIS 451 Ca 0.20 1.31 -0.16 0.00 -0.15 0.00 0.00 55.06 56.26 1r9j s HIS 451 Cb -0.09 -2.55 0.16 0.00 1.11 0.00 0.00 32.58 31.21 1r9j s HIS 451 CO 0.64 0.42 0.80 0.50 -0.85 0.00 0.00 174.74 176.25 1r9j s ARG 452 N -1.75 3.40 0.03 1.40 3.52 -1.26 -2.00 118.95 122.29 1r9j s ARG 452 Ca 0.39 -1.96 0.05 0.00 -0.13 0.00 0.00 55.73 54.08 1r9j s ARG 452 Cb -0.17 -4.48 -0.02 0.00 -1.56 0.00 0.00 34.95 28.71 1r9j s ARG 452 CO 0.21 -1.46 -0.16 0.14 -0.81 0.00 0.00 175.30 173.22 1r9j s VAL 453 N 1.47 1.26 -0.12 7.11 -7.23 -1.26 -4.52 120.40 117.10 1r9j s VAL 453 Ca 0.18 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1r9j s VAL 453 Cb -0.15 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 1r9j s VAL 453 CO -0.04 0.14 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.09 1r9j s ILE 454 N -0.70 2.61 -0.29 -0.62 1.01 -0.90 -1.53 121.20 120.79 1r9j s ILE 454 Ca 0.04 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1r9j s ILE 454 Cb -0.07 -2.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 1r9j s ILE 454 CO 0.01 0.54 0.10 -0.31 0.00 0.00 0.00 174.94 175.28 1r9j s TYR 455 N 0.40 3.15 -0.90 3.97 1.51 -0.03 -1.14 117.35 124.31 1r9j s TYR 455 Ca -0.13 -0.77 -0.18 0.00 -1.01 0.00 0.00 57.07 54.97 1r9j s TYR 455 Cb -0.17 -2.29 0.14 0.00 -0.11 0.00 0.00 41.96 39.54 1r9j s TYR 455 CO 0.06 -0.51 1.05 0.08 -1.11 0.00 0.00 175.55 175.13 1r9j s VAL 456 N 1.55 4.87 -0.57 0.71 1.01 0.45 -0.08 120.40 128.35 1r9j s VAL 456 Ca 0.04 -1.69 -0.14 0.00 0.00 0.00 0.00 61.98 60.19 1r9j s VAL 456 Cb -0.17 -4.72 0.14 0.00 0.00 0.00 0.00 36.38 31.63 1r9j s VAL 456 CO 0.04 -1.42 0.50 0.00 0.00 0.00 0.00 175.10 174.22 1r9j s ALA 457 N 2.29 3.66 0.69 5.51 0.00 -0.27 -2.24 121.76 131.40 1r9j s ALA 457 Ca 0.29 -2.67 -0.02 0.00 0.00 0.00 0.00 51.96 49.56 1r9j s ALA 457 Cb -0.06 -3.20 0.09 0.00 0.00 0.00 0.00 23.12 19.96 1r9j s ALA 457 CO -0.09 -2.04 0.62 0.25 0.00 0.00 0.00 175.76 174.51 1r9j n THR 458 N 4.95 0.00 -3.75 0.00 -2.24 -0.88 -0.88 114.28 111.47 1r9j n THR 458 Ca -0.08 -0.82 -0.29 0.00 -2.27 0.00 0.00 64.05 60.59 1r9j n THR 458 Cb 0.41 -1.25 0.03 0.00 -2.10 0.00 0.00 70.33 67.42 1r9j n THR 458 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1r9j n HIS 459 N -2.43 -1.84 1.52 4.78 8.25 -0.75 -0.59 115.22 124.17 1r9j n HIS 459 Ca 0.09 0.56 0.13 0.00 -0.26 0.00 0.00 57.72 58.24 1r9j n HIS 459 Cb 0.34 -3.60 0.74 0.00 1.12 0.00 0.00 29.99 28.58 1r9j n HIS 459 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1r9j n ASP 460 N -2.79 0.00 -0.40 0.41 5.75 -0.77 -4.21 116.55 114.56 1r9j n ASP 460 Ca -0.17 -0.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.96 1r9j n ASP 460 Cb 0.62 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1r9j n ASP 460 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1r9j n SER 461 N -1.06 0.00 0.00 -1.12 3.41 -1.26 -4.54 113.62 109.05 1r9j n SER 461 Ca 0.18 -0.40 0.02 0.00 -0.26 0.00 0.00 58.87 58.41 1r9j n SER 461 Cb 0.11 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.18 1r9j n SER 461 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1r9j n ILE 462 N 0.00 0.68 0.30 -1.33 -5.35 -1.26 -0.48 119.36 111.92 1r9j n ILE 462 Ca 0.00 0.17 0.16 0.00 -0.27 0.00 0.00 62.75 62.81 1r9j n ILE 462 Cb 0.00 -1.10 0.72 0.00 -1.74 0.00 0.00 39.64 37.53 1r9j n ILE 462 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1r9j h GLY 463 N 0.75 0.00 1.51 3.28 0.00 -1.92 -0.76 103.07 105.93 1r9j h GLY 463 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r9j h GLY 463 CO 0.00 0.00 0.33 -2.08 0.00 0.00 0.00 176.54 174.79 1r9j h VAL 464 N 0.00 1.13 0.00 4.60 2.07 -1.12 -3.41 116.25 119.52 1r9j h VAL 464 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1r9j h VAL 464 Cb 0.26 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1r9j h VAL 464 CO 0.00 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.32 1r9j n GLY 465 N -1.46 1.37 0.48 2.17 0.00 -0.29 -4.35 105.19 103.11 1r9j n GLY 465 Ca 0.04 -0.55 0.31 0.00 0.00 0.00 0.00 46.02 45.83 1r9j n GLY 465 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r9j h GLU 466 N 0.00 0.17 -0.16 1.61 3.07 -1.69 -2.36 114.58 115.23 1r9j h GLU 466 Ca 0.00 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1r9j h GLU 466 Cb 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1r9j h GLU 466 CO 0.00 0.11 0.20 -0.44 -1.40 0.00 0.00 179.01 177.49 1r9j h ASP 467 N 0.18 0.00 -4.51 1.42 3.32 -1.89 -3.40 116.42 111.54 1r9j h ASP 467 Ca 0.65 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.70 1r9j h ASP 467 Cb 2.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.65 1r9j h ASP 467 CO -0.21 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.92 1r9j n GLY 468 N -1.36 -3.27 0.44 2.75 0.00 -0.89 -4.61 105.19 98.25 1r9j n GLY 468 Ca 0.01 -1.83 0.25 0.00 0.00 0.00 0.00 46.02 44.45 1r9j n GLY 468 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r9j h PRO 469 N 0.00 0.18 0.00 1.61 0.13 -1.80 -0.78 132.00 131.34 1r9j h PRO 469 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1r9j h PRO 469 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1r9j h PRO 469 CO 0.00 0.12 0.00 0.25 -0.23 0.00 0.00 178.00 178.14 1r9j n THR 470 N -4.39 0.73 0.18 1.56 -2.24 -1.26 -2.92 114.28 105.94 1r9j n THR 470 Ca 0.20 0.13 0.02 0.00 -2.27 0.00 0.00 64.05 62.13 1r9j n THR 470 Cb 0.86 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1r9j n THR 470 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1r9j n HIS 471 N -1.85 0.00 -3.61 4.78 8.25 -0.33 -4.98 115.22 117.47 1r9j n HIS 471 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 1r9j n HIS 471 Cb 0.25 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.25 1r9j n HIS 471 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1r9j s GLN 472 N -0.75 2.99 0.20 -0.41 -0.21 -0.99 -4.67 119.66 115.81 1r9j s GLN 472 Ca 0.04 -0.97 -0.30 0.00 0.02 0.00 0.00 55.36 54.15 1r9j s GLN 472 Cb 0.03 -3.68 -0.09 0.00 1.00 0.00 0.00 33.01 30.27 1r9j s GLN 472 CO 0.10 -0.61 1.28 -2.14 -2.12 0.00 0.00 175.29 171.79 1r9j s PRO 473 N 1.57 4.42 0.00 2.91 0.02 -1.26 -4.71 135.00 137.95 1r9j s PRO 473 Ca 0.03 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1r9j s PRO 473 Cb -0.18 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1r9j s PRO 473 CO 0.07 -0.20 0.00 1.33 -0.33 0.00 0.00 177.00 177.86 1r9j n VAL 474 N 2.56 0.00 0.00 3.83 0.24 -1.26 -4.53 118.33 119.16 1r9j n VAL 474 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1r9j n VAL 474 Cb 0.43 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1r9j n VAL 474 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1r9j n GLU 475 N -0.54 4.08 -0.27 7.34 0.00 -1.26 -0.72 120.64 129.27 1r9j n GLU 475 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.10 1r9j n GLU 475 Cb 0.03 -0.55 0.06 0.00 0.00 0.00 0.00 31.44 30.98 1r9j n GLU 475 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1r9j h LEU 476 N 0.00 1.02 -1.34 -1.84 5.85 -1.97 -2.76 115.31 114.28 1r9j h LEU 476 Ca 0.00 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1r9j h LEU 476 Cb 0.00 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1r9j h LEU 476 CO 0.00 0.91 0.32 0.58 -0.34 0.00 0.00 178.44 179.92 1r9j h VAL 477 N 1.07 1.17 -0.71 1.05 2.07 -1.95 -0.92 116.25 118.02 1r9j h VAL 477 Ca 0.25 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1r9j h VAL 477 Cb 0.20 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1r9j h VAL 477 CO -0.02 0.18 0.31 0.00 0.02 0.00 0.00 177.57 178.06 1r9j h ALA 478 N 1.57 0.92 -0.52 1.67 0.00 -1.83 0.11 119.26 121.19 1r9j h ALA 478 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1r9j h ALA 478 Cb -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1r9j h ALA 478 CO -0.04 0.51 0.27 0.00 0.00 0.00 0.00 179.25 180.00 1r9j h ALA 479 N 1.15 0.67 -0.07 0.00 0.00 -1.05 -1.79 119.26 118.17 1r9j h ALA 479 Ca 0.24 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1r9j h ALA 479 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1r9j h ALA 479 CO -0.03 0.21 -0.42 -0.07 0.00 0.00 0.00 179.25 178.94 1r9j h LEU 480 N 0.70 0.17 -1.06 0.00 3.38 -0.85 -2.72 115.31 114.94 1r9j h LEU 480 Ca 0.18 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1r9j h LEU 480 Cb 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1r9j h LEU 480 CO -0.03 0.58 -0.41 0.03 0.09 0.00 0.00 178.44 178.70 1r9j h ARG 481 N 0.14 0.00 0.00 1.13 3.08 -0.52 -2.79 114.38 115.42 1r9j h ARG 481 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1r9j h ARG 481 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1r9j h ARG 481 CO 0.06 0.41 -0.23 0.00 -1.07 0.00 0.00 179.97 179.14 1r9j h ALA 482 N 1.59 0.91 -2.42 0.04 0.00 -1.02 -3.45 119.26 114.90 1r9j h ALA 482 Ca -0.00 -0.21 -0.54 0.00 0.00 0.00 0.00 54.91 54.15 1r9j h ALA 482 Cb 0.84 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1r9j h ALA 482 CO 0.05 0.29 0.82 1.41 0.00 0.00 0.00 179.25 181.82 1r9j s MET 483 N -3.33 4.29 0.49 0.00 -2.45 -1.05 -5.00 119.30 112.24 1r9j s MET 483 Ca 0.03 2.03 -0.22 0.00 -1.25 0.00 0.00 55.69 56.28 1r9j s MET 483 Cb 0.08 -3.50 -0.07 0.00 1.25 0.00 0.00 34.83 32.60 1r9j s MET 483 CO 0.67 -0.55 1.19 -2.14 1.05 0.00 0.00 175.02 175.23 1r9j s PRO 484 N 2.10 3.56 -1.46 4.11 0.02 -1.26 -3.68 135.00 138.38 1r9j s PRO 484 Ca 0.65 1.82 -0.09 0.00 0.02 0.00 0.00 61.00 63.39 1r9j s PRO 484 Cb -0.33 -2.29 0.06 0.00 0.02 0.00 0.00 34.50 31.95 1r9j s PRO 484 CO 0.28 -0.73 0.89 -1.71 -0.33 0.00 0.00 177.00 175.40 1r9j n ASN 485 N -0.76 -3.64 -3.78 2.53 5.15 -1.26 -4.78 115.26 108.71 1r9j n ASN 485 Ca 0.09 -0.79 -0.19 0.00 -0.60 0.00 0.00 54.58 53.08 1r9j n ASN 485 Cb 0.48 -3.94 -0.17 0.00 -0.53 0.00 0.00 39.78 35.63 1r9j n ASN 485 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1r9j s LEU 486 N -7.10 0.83 -0.21 1.20 2.96 -1.24 -4.21 118.68 110.92 1r9j s LEU 486 Ca 0.45 -0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 54.19 1r9j s LEU 486 Cb -0.22 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 1r9j s LEU 486 CO 0.82 -0.15 0.35 -1.10 -1.32 0.00 0.00 176.35 174.95 1r9j s GLN 487 N 1.47 4.16 -0.40 1.98 -0.21 -0.74 -4.90 119.66 121.02 1r9j s GLN 487 Ca -0.03 0.11 0.01 0.00 0.02 0.00 0.00 55.36 55.46 1r9j s GLN 487 Cb -0.13 -3.53 0.11 0.00 1.00 0.00 0.00 33.01 30.46 1r9j s GLN 487 CO -0.03 -0.00 0.15 0.08 -2.12 0.00 0.00 175.29 173.37 1r9j s VAL 488 N 1.21 2.82 -0.19 1.09 1.01 -1.26 0.46 120.40 125.54 1r9j s VAL 488 Ca 0.17 -2.32 -0.08 0.00 0.00 0.00 0.00 61.98 59.75 1r9j s VAL 488 Cb -0.14 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1r9j s VAL 488 CO 0.07 -0.67 0.08 -0.63 0.00 0.00 0.00 175.10 173.96 1r9j s ILE 489 N 0.88 4.92 -0.63 2.22 1.01 -0.04 -4.40 121.20 125.15 1r9j s ILE 489 Ca 0.11 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1r9j s ILE 489 Cb -0.21 -3.24 0.16 0.00 0.01 0.00 0.00 42.46 39.19 1r9j s ILE 489 CO -0.06 0.44 0.44 -0.60 0.00 0.00 0.00 174.94 175.16 1r9j s ARG 490 N 0.51 2.13 0.46 2.79 3.52 0.83 -0.05 118.95 129.13 1r9j s ARG 490 Ca 0.04 -3.03 -0.24 0.00 -0.13 0.00 0.00 55.73 52.37 1r9j s ARG 490 Cb -0.12 -3.06 -0.07 0.00 -1.56 0.00 0.00 34.95 30.13 1r9j s ARG 490 CO 0.00 -1.28 1.30 -1.25 -0.81 0.00 0.00 175.30 173.27 1r9j s PRO 491 N -1.04 3.67 0.03 5.12 0.04 -1.26 -1.21 135.00 140.35 1r9j s PRO 491 Ca 0.25 2.13 0.11 0.00 0.04 0.00 0.00 61.00 63.53 1r9j s PRO 491 Cb -0.06 -2.54 -0.21 0.00 0.04 0.00 0.00 34.50 31.73 1r9j s PRO 491 CO -0.15 -0.73 0.92 0.66 0.04 0.00 0.00 177.00 177.74 1r9j h SER 492 N 2.18 0.00 -1.59 6.66 4.64 -1.91 -3.37 113.55 120.16 1r9j h SER 492 Ca -0.50 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 1r9j h SER 492 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1r9j h SER 492 CO 0.60 0.98 0.01 -0.90 -0.87 0.00 0.00 176.83 176.65 1r9j n ASP 493 N -3.16 -0.24 -0.10 4.97 5.68 -1.26 -4.64 116.55 117.79 1r9j n ASP 493 Ca -0.10 -1.23 -0.05 0.00 -0.50 0.00 0.00 54.79 52.90 1r9j n ASP 493 Cb 1.00 0.42 0.01 0.00 -1.14 0.00 0.00 41.12 41.41 1r9j n ASP 493 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1r9j h GLN 494 N 0.00 0.03 -0.36 0.11 5.75 -1.91 0.21 115.11 118.93 1r9j h GLN 494 Ca -0.04 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1r9j h GLN 494 Cb 0.16 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1r9j h GLN 494 CO 0.05 0.02 0.24 1.15 -2.65 0.00 0.00 178.83 177.64 1r9j h THR 495 N 0.03 1.10 -0.27 2.39 2.02 -1.84 0.29 112.91 116.62 1r9j h THR 495 Ca 0.17 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1r9j h THR 495 Cb 0.26 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1r9j h THR 495 CO -0.35 0.09 -0.30 -0.33 0.37 0.00 0.00 175.52 175.00 1r9j h GLU 496 N 0.49 0.56 -0.51 6.66 5.08 -1.78 -1.10 114.58 123.99 1r9j h GLU 496 Ca 0.13 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1r9j h GLU 496 Cb -0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1r9j h GLU 496 CO -0.03 0.80 0.07 1.15 -1.00 0.00 0.00 179.01 180.00 1r9j h THR 497 N 0.48 1.23 -0.14 1.13 2.02 -0.16 0.46 112.91 117.94 1r9j h THR 497 Ca 0.06 -0.91 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 1r9j h THR 497 Cb 0.77 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1r9j h THR 497 CO 0.06 0.33 -0.41 0.28 0.37 0.00 0.00 175.52 176.15 1r9j h SER 498 N 0.78 0.34 -0.33 4.18 0.02 -0.63 -1.52 113.55 116.38 1r9j h SER 498 Ca 0.16 -0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 1r9j h SER 498 Cb 0.37 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1r9j h SER 498 CO 0.01 0.72 -0.39 1.23 -1.14 0.00 0.00 176.83 177.25 1r9j h GLY 499 N 1.19 0.96 0.96 -3.77 0.00 0.11 -1.88 103.07 100.64 1r9j h GLY 499 Ca 0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.36 1r9j h GLY 499 CO 0.07 0.89 0.18 0.00 0.00 0.00 0.00 176.54 177.68 1r9j h ALA 500 N 0.82 0.44 -0.43 3.60 0.00 0.20 -0.41 119.26 123.49 1r9j h ALA 500 Ca 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1r9j h ALA 500 Cb 0.98 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1r9j h ALA 500 CO 0.09 -0.03 -0.01 -1.49 0.00 0.00 0.00 179.25 177.82 1r9j h TRP 501 N 0.43 0.74 -0.39 0.00 4.06 -1.26 -0.64 115.95 118.90 1r9j h TRP 501 Ca 0.12 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 1r9j h TRP 501 Cb 0.07 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.00 1r9j h TRP 501 CO -0.03 0.70 0.20 0.00 -3.56 0.00 0.00 178.44 175.75 1r9j h ALA 502 N 1.33 0.50 -0.04 1.49 0.00 -0.84 -1.01 119.26 120.70 1r9j h ALA 502 Ca 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r9j h ALA 502 Cb 0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r9j h ALA 502 CO 0.02 0.05 0.02 0.28 0.00 0.00 0.00 179.25 179.61 1r9j h VAL 503 N 0.49 1.12 -0.38 0.00 2.07 -0.70 -2.35 116.25 116.50 1r9j h VAL 503 Ca 0.13 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1r9j h VAL 503 Cb 0.09 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1r9j h VAL 503 CO -0.02 0.10 0.10 0.00 0.02 0.00 0.00 177.57 177.76 1r9j h ALA 504 N 0.87 0.42 0.00 1.67 0.00 -0.96 -2.28 119.26 118.98 1r9j h ALA 504 Ca 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1r9j h ALA 504 Cb 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1r9j h ALA 504 CO -0.00 -0.30 -0.25 -0.07 0.00 0.00 0.00 179.25 178.62 1r9j h LEU 505 N 0.23 0.00 -1.63 0.00 3.38 -1.16 -3.03 115.31 113.10 1r9j h LEU 505 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1r9j h LEU 505 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1r9j h LEU 505 CO -0.22 0.25 0.00 -1.54 0.09 0.00 0.00 178.44 177.03 1r9j n SER 506 N -3.74 2.51 -4.40 -0.43 3.41 -0.89 -4.70 113.62 105.39 1r9j n SER 506 Ca -0.01 -1.83 -0.45 0.00 -0.26 0.00 0.00 58.87 56.32 1r9j n SER 506 Cb 0.36 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1r9j n SER 506 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1r9j s SER 507 N -1.92 6.90 0.56 4.04 0.01 -0.90 -4.88 113.70 117.51 1r9j s SER 507 Ca 0.32 -2.73 0.30 0.00 1.31 0.00 0.00 55.95 55.16 1r9j s SER 507 Cb 0.20 -2.31 1.69 0.00 0.21 0.00 0.00 66.02 65.82 1r9j s SER 507 CO 0.31 -0.70 2.17 0.16 0.41 0.00 0.00 173.24 175.59 1r9j h ILE 508 N 4.86 0.47 0.00 1.44 3.07 -1.86 -3.09 117.51 122.40 1r9j h ILE 508 Ca 0.18 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.31 1r9j h ILE 508 Cb 0.97 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1r9j h ILE 508 CO 1.01 0.06 -0.02 1.41 -1.05 0.00 0.00 178.15 179.56 1r9j n HIS 509 N -3.64 0.00 -3.68 0.16 8.25 -1.26 -4.10 115.22 110.95 1r9j n HIS 509 Ca -0.02 -0.85 -0.18 0.00 -0.26 0.00 0.00 57.72 56.40 1r9j n HIS 509 Cb 0.16 -0.13 -0.17 0.00 1.12 0.00 0.00 29.99 30.98 1r9j n HIS 509 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1r9j s THR 510 N -2.37 -0.14 0.57 1.59 2.01 -1.17 -4.37 115.64 111.76 1r9j s THR 510 Ca 0.24 0.38 -0.19 0.00 0.31 0.00 0.00 61.69 62.43 1r9j s THR 510 Cb 0.21 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 72.49 1r9j s THR 510 CO 0.02 0.16 1.15 -2.16 -0.69 0.00 0.00 174.62 173.10 1r9j s PRO 511 N 2.04 3.19 -0.04 4.92 0.04 -0.85 -4.60 135.00 139.70 1r9j s PRO 511 Ca 0.02 1.64 0.03 0.00 0.04 0.00 0.00 61.00 62.73 1r9j s PRO 511 Cb -0.12 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1r9j s PRO 511 CO -0.04 -0.99 -0.11 0.99 0.04 0.00 0.00 177.00 176.90 1r9j s THR 512 N -1.79 0.93 -0.23 1.26 2.01 -0.58 -1.80 115.64 115.44 1r9j s THR 512 Ca 0.73 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 62.23 1r9j s THR 512 Cb -0.25 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1r9j s THR 512 CO 0.30 0.29 0.09 -0.69 -0.69 0.00 0.00 174.62 173.92 1r9j s VAL 513 N 0.30 4.61 -0.39 3.82 1.01 0.17 -0.85 120.40 129.09 1r9j s VAL 513 Ca -0.06 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1r9j s VAL 513 Cb -0.11 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1r9j s VAL 513 CO 0.01 0.36 0.34 -0.76 0.00 0.00 0.00 175.10 175.05 1r9j s LEU 514 N 1.28 4.82 -0.53 3.92 1.43 0.89 -0.86 118.68 129.63 1r9j s LEU 514 Ca 0.05 -0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 1r9j s LEU 514 Cb -0.15 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 43.87 1r9j s LEU 514 CO 0.04 -0.43 0.76 0.00 0.23 0.00 0.00 176.35 176.95 1r9j s LEU 516 N 3.18 3.28 0.26 0.00 1.43 -0.06 -4.14 118.68 122.63 1r9j s LEU 516 Ca 0.21 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 1r9j s LEU 516 Cb -0.17 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 1r9j s LEU 516 CO 0.15 0.23 0.58 -0.94 0.23 0.00 0.00 176.35 176.60 1r9j s SER 517 N -1.89 6.60 -0.06 2.29 1.04 -1.26 -1.81 113.70 118.61 1r9j s SER 517 Ca 0.21 0.93 -0.15 0.00 0.48 0.00 0.00 55.95 57.43 1r9j s SER 517 Cb -0.11 -2.23 -0.30 0.00 0.10 0.00 0.00 66.02 63.47 1r9j s SER 517 CO 0.13 -0.13 0.70 -0.09 0.98 0.00 0.00 173.24 174.82 1r9j h ARG 518 N 2.25 0.36 -6.83 4.02 2.43 -1.93 -2.85 114.38 111.83 1r9j h ARG 518 Ca -0.47 -0.61 -0.50 0.00 -0.81 0.00 0.00 59.98 57.59 1r9j h ARG 518 Cb 1.17 0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1r9j h ARG 518 CO 0.68 1.29 0.09 1.14 -1.51 0.00 0.00 179.97 181.66 1r9j s GLN 519 N -2.53 3.70 0.65 0.20 0.00 -1.26 -4.73 119.66 115.69 1r9j s GLN 519 Ca -0.16 0.35 -0.18 0.00 -0.00 0.00 0.00 55.36 55.38 1r9j s GLN 519 Cb 0.04 -2.41 -0.01 0.00 0.00 0.00 0.00 33.01 30.64 1r9j s GLN 519 CO 0.84 -0.06 1.27 -0.80 0.00 0.00 0.00 175.29 176.54 1r9j s ASN 520 N -3.41 4.60 0.11 12.60 0.01 -1.26 -4.10 114.94 123.49 1r9j s ASN 520 Ca 0.49 2.56 0.06 0.00 -0.71 0.00 0.00 52.86 55.27 1r9j s ASN 520 Cb -0.10 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 1r9j s ASN 520 CO 0.35 -2.01 -0.15 0.42 -1.51 0.00 0.00 177.10 174.20 1r9j s THR 521 N -1.50 1.33 -0.15 1.60 -4.23 -0.81 -4.80 115.64 107.07 1r9j s THR 521 Ca 0.81 -1.62 -0.23 0.00 -1.18 0.00 0.00 61.69 59.46 1r9j s THR 521 Cb -0.36 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.01 1r9j s THR 521 CO 0.40 -0.35 0.72 -1.61 -0.54 0.00 0.00 174.62 173.24 1r9j s GLU 522 N -2.42 4.31 0.53 3.99 0.41 -1.26 -3.18 118.70 121.08 1r9j s GLU 522 Ca 0.07 0.84 -0.21 0.00 -0.41 0.00 0.00 54.97 55.25 1r9j s GLU 522 Cb -0.06 -3.54 -0.05 0.00 -1.78 0.00 0.00 34.13 28.70 1r9j s GLU 522 CO 0.03 -0.18 1.26 -1.25 -0.49 0.00 0.00 175.26 174.64 1r9j s PRO 523 N 1.65 3.29 -0.13 0.39 0.04 -1.26 -4.80 135.00 134.18 1r9j s PRO 523 Ca 0.35 1.99 -0.00 0.00 0.04 0.00 0.00 61.00 63.38 1r9j s PRO 523 Cb -0.17 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1r9j s PRO 523 CO 0.13 -1.00 -0.13 -0.65 0.04 0.00 0.00 177.00 175.40 1r9j s GLN 524 N -2.94 3.38 0.50 4.56 -1.52 -1.26 -4.99 119.66 117.38 1r9j s GLN 524 Ca 0.70 -0.69 0.33 0.00 -1.95 0.00 0.00 55.36 53.76 1r9j s GLN 524 Cb -0.34 -2.64 1.55 0.00 -0.22 0.00 0.00 33.01 31.35 1r9j s GLN 524 CO 0.40 0.19 1.99 0.66 -0.25 0.00 0.00 175.29 178.29 1r9j h SER 525 N 6.77 0.00 0.72 5.90 4.64 -1.95 -2.31 113.55 127.31 1r9j h SER 525 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1r9j h SER 525 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1r9j h SER 525 CO 0.56 0.00 -0.36 0.61 -0.87 0.00 0.00 176.83 176.77 1r9j n GLY 526 N -0.42 -1.36 3.75 -0.77 0.00 -1.26 -4.92 105.19 100.22 1r9j n GLY 526 Ca -0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1r9j n GLY 526 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r9j s SER 527 N -3.20 5.43 -0.07 1.61 0.01 -0.87 -4.77 113.70 111.84 1r9j s SER 527 Ca 0.11 2.52 -0.31 0.00 1.31 0.00 0.00 55.95 59.59 1r9j s SER 527 Cb 0.17 -2.61 0.07 0.00 0.21 0.00 0.00 66.02 63.86 1r9j s SER 527 CO 0.65 -1.44 0.68 -0.94 0.41 0.00 0.00 173.24 172.60 1r9j s SER 528 N -1.28 -0.66 0.22 2.44 1.04 -1.26 -4.96 113.70 109.24 1r9j s SER 528 Ca 0.72 0.77 -0.06 0.00 0.48 0.00 0.00 55.95 57.86 1r9j s SER 528 Cb -0.34 0.60 0.20 0.00 0.10 0.00 0.00 66.02 66.58 1r9j s SER 528 CO 0.39 -0.58 1.78 0.40 0.98 0.00 0.00 173.24 176.21 1r9j h ILE 529 N 3.07 1.26 -1.00 -1.02 2.04 -1.95 -2.17 117.51 117.73 1r9j h ILE 529 Ca -0.27 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 64.82 1r9j h ILE 529 Cb 1.14 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 1r9j h ILE 529 CO 0.37 0.34 0.64 -0.08 0.00 0.00 0.00 178.15 179.42 1r9j h GLU 530 N 1.09 1.09 -0.52 2.37 4.81 -1.96 -1.96 114.58 119.49 1r9j h GLU 530 Ca 0.24 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1r9j h GLU 530 Cb 0.26 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1r9j h GLU 530 CO -0.01 0.72 0.26 0.78 -0.73 0.00 0.00 179.01 180.03 1r9j h GLY 531 N 1.12 0.79 1.15 1.92 0.00 -1.80 -2.74 103.07 103.51 1r9j h GLY 531 Ca 0.45 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1r9j h GLY 531 CO -0.20 0.37 0.37 -2.08 0.00 0.00 0.00 176.54 174.99 1r9j h VAL 532 N 0.69 1.24 0.00 4.60 2.07 -1.11 -1.12 116.25 122.63 1r9j h VAL 532 Ca 0.18 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1r9j h VAL 532 Cb 0.10 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1r9j h VAL 532 CO -0.02 0.29 -0.01 0.03 0.02 0.00 0.00 177.57 177.87 1r9j h ARG 533 N 1.09 0.00 -0.02 1.57 3.08 -1.10 -0.88 114.38 118.12 1r9j h ARG 533 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1r9j h ARG 533 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1r9j h ARG 533 CO -0.03 0.01 -0.13 0.72 -1.07 0.00 0.00 179.97 179.47 1r9j n HIS 534 N -3.24 0.00 0.00 3.04 8.25 -0.44 -4.90 115.22 117.92 1r9j n HIS 534 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1r9j n HIS 534 Cb 0.12 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1r9j n HIS 534 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1r9j n GLY 535 N 1.31 1.87 3.15 -1.41 0.00 -0.34 -3.55 105.19 106.22 1r9j n GLY 535 Ca 0.14 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1r9j n GLY 535 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9j s ALA 536 N 0.00 -0.61 0.15 4.61 0.00 -1.26 -2.18 121.76 122.47 1r9j s ALA 536 Ca 0.00 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 1r9j s ALA 536 Cb 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.90 1r9j s ALA 536 CO 0.00 -0.15 0.58 1.52 0.00 0.00 0.00 175.76 177.71 1r9j s TYR 537 N -0.25 -0.50 0.05 0.00 1.13 -0.37 -4.98 117.35 112.43 1r9j s TYR 537 Ca -0.04 0.29 -0.30 0.00 -1.41 0.00 0.00 57.07 55.61 1r9j s TYR 537 Cb -0.03 0.53 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 1r9j s TYR 537 CO 0.01 -0.83 1.09 -1.12 -2.51 0.00 0.00 175.55 172.19 1r9j s SER 538 N -2.75 7.24 -0.00 -0.18 0.01 -1.26 -0.55 113.70 116.20 1r9j s SER 538 Ca 0.01 1.87 0.11 0.00 1.31 0.00 0.00 55.95 59.25 1r9j s SER 538 Cb -0.01 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.51 1r9j s SER 538 CO -0.13 -0.34 0.41 1.33 0.41 0.00 0.00 173.24 174.92 1r9j n VAL 539 N 3.68 0.00 -3.45 3.43 0.24 -0.15 -4.87 118.33 117.21 1r9j n VAL 539 Ca 0.07 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 1r9j n VAL 539 Cb 0.48 0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 33.56 1r9j n VAL 539 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1r9j s VAL 540 N -2.21 -0.48 0.27 3.34 1.01 -1.11 -4.38 120.40 116.82 1r9j s VAL 540 Ca 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.08 1r9j s VAL 540 Cb 0.08 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1r9j s VAL 540 CO 0.45 -0.12 -0.15 -0.62 0.00 0.00 0.00 175.10 174.66 1r9j s ASP 541 N 2.46 3.84 -0.14 3.32 -1.08 -1.26 -0.12 116.67 123.68 1r9j s ASP 541 Ca 0.09 -0.91 -0.18 0.00 -0.52 0.00 0.00 52.55 51.02 1r9j s ASP 541 Cb -0.15 -0.45 0.05 0.00 -1.46 0.00 0.00 42.92 40.91 1r9j s ASP 541 CO -0.13 0.04 0.49 -0.69 0.52 0.00 0.00 175.17 175.39 1r9j s VAL 542 N -2.39 0.01 0.57 1.11 1.01 -1.26 -4.97 120.40 114.48 1r9j s VAL 542 Ca 0.30 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 1r9j s VAL 542 Cb -0.06 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1r9j s VAL 542 CO 0.16 -0.04 1.14 -2.16 0.00 0.00 0.00 175.10 174.20 1r9j s PRO 543 N -0.15 3.20 -1.31 2.72 0.04 -1.26 -3.75 135.00 134.48 1r9j s PRO 543 Ca -0.03 1.61 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 1r9j s PRO 543 Cb -0.03 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1r9j s PRO 543 CO 0.02 -0.97 0.49 -0.25 0.04 0.00 0.00 177.00 176.33 1r9j n ASP 544 N -1.53 -2.48 -4.70 6.66 8.00 -1.26 -4.88 116.55 116.36 1r9j n ASP 544 Ca 0.12 -1.20 -0.34 0.00 0.71 0.00 0.00 54.79 54.07 1r9j n ASP 544 Cb 0.51 -2.15 0.11 0.00 -0.02 0.00 0.00 41.12 39.57 1r9j n ASP 544 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r9j n LEU 545 N -4.70 4.81 -0.00 0.64 -0.00 -1.25 -4.90 117.00 111.61 1r9j n LEU 545 Ca -0.19 0.65 0.02 0.00 -0.00 0.00 0.00 56.01 56.48 1r9j n LEU 545 Cb 0.62 -1.52 -0.02 0.00 -0.00 0.00 0.00 43.42 42.50 1r9j n LEU 545 CO 0.76 -1.53 -0.14 0.00 -0.00 0.00 0.00 177.39 176.49 1r9j n GLN 546 N -2.94 4.44 -3.61 1.47 6.02 0.53 -4.99 117.38 118.29 1r9j n GLN 546 Ca 0.14 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.98 1r9j n GLN 546 Cb 0.50 -0.77 -0.07 0.00 1.02 0.00 0.00 30.24 30.92 1r9j n GLN 546 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1r9j s LEU 547 N -2.43 -0.72 -0.05 1.08 2.96 -0.97 -4.45 118.68 114.09 1r9j s LEU 547 Ca 0.01 1.30 0.05 0.00 -0.22 0.00 0.00 54.13 55.27 1r9j s LEU 547 Cb 0.03 2.44 -0.02 0.00 0.50 0.00 0.00 46.19 49.14 1r9j s LEU 547 CO 0.15 -0.30 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.98 1r9j s VAL 548 N 0.12 2.43 -0.19 1.68 1.01 -0.81 -1.28 120.40 123.36 1r9j s VAL 548 Ca -0.02 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1r9j s VAL 548 Cb -0.04 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.46 1r9j s VAL 548 CO 0.02 0.57 -0.17 -0.63 0.00 0.00 0.00 175.10 174.90 1r9j s ILE 549 N -0.40 1.97 -0.07 2.22 1.01 0.03 -1.22 121.20 124.75 1r9j s ILE 549 Ca 0.04 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 1r9j s ILE 549 Cb -0.12 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1r9j s ILE 549 CO 0.02 0.40 0.00 0.54 0.00 0.00 0.00 174.94 175.90 1r9j s VAL 550 N 1.30 4.26 0.26 2.92 0.11 0.43 -0.28 120.40 129.41 1r9j s VAL 550 Ca 0.02 -0.33 -0.16 0.00 -2.93 0.00 0.00 61.98 58.58 1r9j s VAL 550 Cb -0.14 -2.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.90 1r9j s VAL 550 CO -0.11 0.55 0.56 0.00 -3.33 0.00 0.00 175.10 172.78 1r9j s ALA 551 N -0.93 -0.57 0.16 1.54 0.00 -0.21 -0.69 121.76 121.06 1r9j s ALA 551 Ca 0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1r9j s ALA 551 Cb -0.11 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1r9j s ALA 551 CO 0.04 -0.92 0.13 -1.54 0.00 0.00 0.00 175.76 173.47 1r9j s SER 552 N -2.99 0.21 0.07 0.00 1.04 -1.24 -0.29 113.70 110.51 1r9j s SER 552 Ca 0.19 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1r9j s SER 552 Cb -0.03 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1r9j s SER 552 CO 0.08 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1r9j n GLY 553 N -0.18 1.90 0.00 7.32 0.00 -0.35 -1.19 105.19 112.69 1r9j n GLY 553 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.86 1r9j n GLY 553 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r9j n SER 554 N -0.46 0.00 -0.39 1.61 3.41 -1.26 -2.48 113.62 114.05 1r9j n SER 554 Ca 0.00 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 1r9j n SER 554 Cb 0.00 -0.34 0.20 0.00 -0.26 0.00 0.00 64.21 63.81 1r9j n SER 554 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r9j n GLU 555 N -1.34 1.07 -0.28 4.33 4.71 -0.33 -4.23 120.64 124.57 1r9j n GLU 555 Ca 0.02 -0.78 -0.04 0.00 -0.01 0.00 0.00 57.16 56.35 1r9j n GLU 555 Cb 0.04 -1.48 0.10 0.00 -1.01 0.00 0.00 31.44 29.09 1r9j n GLU 555 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1r9j h VAL 556 N 1.90 1.25 -0.20 2.62 2.07 -1.50 -2.05 116.25 120.34 1r9j h VAL 556 Ca 0.00 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1r9j h VAL 556 Cb 0.63 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1r9j h VAL 556 CO 0.00 0.31 0.09 0.77 0.02 0.00 0.00 177.57 178.76 1r9j h SER 557 N 1.15 0.24 -0.38 0.57 4.64 -1.82 0.41 113.55 118.36 1r9j h SER 557 Ca 0.28 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 1r9j h SER 557 Cb 0.14 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1r9j h SER 557 CO -0.03 0.22 -0.17 -0.07 -0.87 0.00 0.00 176.83 175.90 1r9j h LEU 558 N 0.28 0.81 -0.39 5.97 4.07 -1.62 -1.02 115.31 123.40 1r9j h LEU 558 Ca 0.07 -0.40 -0.05 0.00 0.08 0.00 0.00 57.88 57.58 1r9j h LEU 558 Cb 0.04 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 1r9j h LEU 558 CO -0.01 1.03 0.06 0.00 -1.08 0.00 0.00 178.44 178.44 1r9j h ALA 559 N 0.81 0.52 -0.43 1.53 0.00 -0.92 0.48 119.26 121.25 1r9j h ALA 559 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1r9j h ALA 559 Cb 0.72 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1r9j h ALA 559 CO 0.05 0.24 0.19 0.28 0.00 0.00 0.00 179.25 180.02 1r9j h VAL 560 N 0.50 1.19 -0.26 0.00 2.07 -0.89 0.59 116.25 119.46 1r9j h VAL 560 Ca 0.12 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 1r9j h VAL 560 Cb 0.38 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1r9j h VAL 560 CO 0.01 0.21 -0.24 0.44 0.02 0.00 0.00 177.57 178.02 1r9j h ASP 561 N 0.56 0.49 -0.54 0.57 5.19 -1.06 -1.65 116.42 119.97 1r9j h ASP 561 Ca 0.15 -0.16 -0.10 0.00 -0.62 0.00 0.00 57.03 56.29 1r9j h ASP 561 Cb 0.16 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1r9j h ASP 561 CO -0.01 0.73 -0.07 0.00 -3.12 0.00 0.00 179.24 176.77 1r9j h ALA 562 N 1.31 0.74 0.02 3.45 0.00 -0.52 -1.08 119.26 123.18 1r9j h ALA 562 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1r9j h ALA 562 Cb 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1r9j h ALA 562 CO 0.05 0.62 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 1r9j h ALA 563 N 0.94 -0.08 -0.83 0.00 0.00 -0.48 -0.96 119.26 117.85 1r9j h ALA 563 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1r9j h ALA 563 Cb 0.62 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1r9j h ALA 563 CO 0.04 -0.56 0.53 0.87 0.00 0.00 0.00 179.25 180.13 1r9j h LYS 564 N -0.12 1.02 0.00 0.00 1.57 -1.14 -1.40 116.57 116.50 1r9j h LYS 564 Ca 0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1r9j h LYS 564 Cb 0.14 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1r9j h LYS 564 CO -0.05 0.68 -0.13 0.00 -0.57 0.00 0.00 179.45 179.37 1r9j h ALA 565 N 1.33 1.58 -0.02 3.86 0.00 -0.74 -1.57 119.26 123.70 1r9j h ALA 565 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1r9j h ALA 565 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r9j h ALA 565 CO -0.10 0.16 -0.11 1.28 0.00 0.00 0.00 179.25 180.48 1r9j n LEU 566 N -4.08 1.65 -0.35 0.00 4.77 -0.41 -4.58 117.00 114.00 1r9j n LEU 566 Ca -0.02 -0.53 -0.01 0.00 -0.03 0.00 0.00 56.01 55.41 1r9j n LEU 566 Cb 0.21 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1r9j n LEU 566 CO 0.33 0.28 0.54 -1.20 -1.33 0.00 0.00 177.39 176.01 1r9j n SER 567 N 0.12 -0.60 0.18 -1.43 7.64 -0.59 -0.58 113.62 118.36 1r9j n SER 567 Ca 0.16 1.60 0.03 0.00 1.01 0.00 0.00 58.87 61.67 1r9j n SER 567 Cb 0.40 -0.37 0.34 0.00 -1.01 0.00 0.00 64.21 63.57 1r9j n SER 567 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1r9j h GLY 568 N 0.00 0.00 0.00 0.23 0.00 -1.81 -3.36 103.07 98.12 1r9j h GLY 568 Ca 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.50 1r9j h GLY 568 CO -0.91 0.00 -0.88 0.83 0.00 0.00 0.00 176.54 175.58 1r9j h GLU 569 N 0.00 0.00 -5.53 4.80 5.08 -1.16 -3.49 114.58 114.28 1r9j h GLU 569 Ca -0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 1r9j h GLU 569 Cb 0.81 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.91 1r9j h GLU 569 CO 0.05 0.83 -0.72 -0.51 -1.00 0.00 0.00 179.01 177.66 1r9j s LEU 570 N -8.01 2.54 -0.37 1.33 1.43 0.16 -5.10 118.68 110.66 1r9j s LEU 570 Ca -0.24 -1.05 -0.16 0.00 -1.03 0.00 0.00 54.13 51.65 1r9j s LEU 570 Cb 0.03 -0.65 -0.00 0.00 0.03 0.00 0.00 46.19 45.61 1r9j s LEU 570 CO 0.54 -0.21 0.42 -0.13 0.23 0.00 0.00 176.35 177.20 1r9j s ARG 571 N -3.66 3.45 -0.04 1.70 0.52 -1.26 -4.35 118.95 115.30 1r9j s ARG 571 Ca 0.23 -0.45 0.06 0.00 -0.52 0.00 0.00 55.73 55.05 1r9j s ARG 571 Cb 0.00 -3.85 -0.01 0.00 0.52 0.00 0.00 34.95 31.61 1r9j s ARG 571 CO 0.07 -0.64 -0.21 0.08 0.02 0.00 0.00 175.30 174.62 1r9j s VAL 572 N 2.14 1.72 -0.09 3.52 1.01 -1.26 -0.35 120.40 127.09 1r9j s VAL 572 Ca 0.13 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1r9j s VAL 572 Cb -0.16 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1r9j s VAL 572 CO 0.13 0.49 -0.01 -0.60 0.00 0.00 0.00 175.10 175.11 1r9j s ARG 573 N -0.21 3.00 -0.18 2.72 3.52 -0.40 -4.50 118.95 122.91 1r9j s ARG 573 Ca 0.00 -0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 55.16 1r9j s ARG 573 Cb -0.11 -2.79 -0.01 0.00 -1.56 0.00 0.00 34.95 30.48 1r9j s ARG 573 CO 0.02 0.68 -0.07 0.08 -0.81 0.00 0.00 175.30 175.19 1r9j s VAL 574 N -0.81 3.35 -0.15 7.11 1.01 0.83 -0.79 120.40 130.95 1r9j s VAL 574 Ca 0.12 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1r9j s VAL 574 Cb -0.11 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1r9j s VAL 574 CO 0.02 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 174.83 1r9j s VAL 575 N 0.87 3.48 -0.21 2.92 1.01 0.62 -0.97 120.40 128.11 1r9j s VAL 575 Ca -0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1r9j s VAL 575 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1r9j s VAL 575 CO 0.01 0.50 0.25 -0.55 0.00 0.00 0.00 175.10 175.30 1r9j s SER 576 N 0.49 6.26 -0.65 3.32 0.15 0.28 -1.05 113.70 122.50 1r9j s SER 576 Ca -0.06 0.30 0.05 0.00 0.70 0.00 0.00 55.95 56.94 1r9j s SER 576 Cb -0.15 -2.15 0.19 0.00 -1.71 0.00 0.00 66.02 62.20 1r9j s SER 576 CO 0.03 0.04 0.53 0.80 1.20 0.00 0.00 173.24 175.84 1r9j n MET 577 N 4.19 1.74 0.22 5.44 1.56 0.61 -1.24 117.12 129.63 1r9j n MET 577 Ca -0.13 -4.33 0.08 0.00 -0.27 0.00 0.00 57.70 53.05 1r9j n MET 577 Cb 0.52 -2.18 0.48 0.00 2.15 0.00 0.00 33.22 34.19 1r9j n MET 577 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 1r9j h PRO 578 N 5.14 0.00 -2.32 2.12 0.13 -1.68 -3.42 132.00 131.97 1r9j h PRO 578 Ca 0.17 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.98 1r9j h PRO 578 Cb 0.76 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.54 1r9j h PRO 578 CO 0.69 0.27 -0.63 0.00 -0.23 0.00 0.00 178.00 178.11 1r9j h GLN 580 N 8.29 0.22 -0.34 0.00 4.20 -1.79 -2.80 115.11 122.88 1r9j h GLN 580 Ca -0.16 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1r9j h GLN 580 Cb 1.11 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1r9j h GLN 580 CO 0.31 0.33 0.10 0.93 -0.67 0.00 0.00 178.83 179.84 1r9j h GLU 581 N 0.21 0.52 -0.24 1.46 3.07 -1.90 -1.76 114.58 115.94 1r9j h GLU 581 Ca 0.04 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 58.70 1r9j h GLU 581 Cb 0.32 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1r9j h GLU 581 CO 0.02 0.55 -0.25 -0.07 -1.40 0.00 0.00 179.01 177.86 1r9j h LEU 582 N 0.39 0.45 0.01 1.33 3.38 -1.87 -2.68 115.31 116.32 1r9j h LEU 582 Ca 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1r9j h LEU 582 Cb 0.25 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1r9j h LEU 582 CO -0.00 0.70 -0.00 0.15 0.09 0.00 0.00 178.44 179.38 1r9j h PHE 583 N 0.40 -0.01 -0.08 1.13 3.57 -1.29 -2.71 116.94 117.95 1r9j h PHE 583 Ca 0.06 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1r9j h PHE 583 Cb 0.65 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1r9j h PHE 583 CO 0.02 0.25 0.08 -0.44 -2.23 0.00 0.00 178.31 175.99 1r9j h ASP 584 N -0.27 0.00 1.07 0.41 3.32 -1.23 -0.19 116.42 119.53 1r9j h ASP 584 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r9j h ASP 584 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1r9j h ASP 584 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1r9j n ALA 585 N -2.39 2.15 -1.75 3.45 0.00 -1.02 -4.84 120.51 116.11 1r9j n ALA 585 Ca -0.01 -0.05 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 1r9j n ALA 585 Cb 0.18 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 1r9j n ALA 585 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1r9j s GLN 586 N -3.07 3.56 0.80 0.00 -1.52 -0.09 -5.00 119.66 114.34 1r9j s GLN 586 Ca 0.11 1.37 -0.13 0.00 -1.95 0.00 0.00 55.36 54.76 1r9j s GLN 586 Cb 0.14 -2.06 0.08 0.00 -0.22 0.00 0.00 33.01 30.96 1r9j s GLN 586 CO 0.50 -0.63 1.20 -1.25 -0.25 0.00 0.00 175.29 174.86 1r9j s PRO 587 N -3.49 1.69 0.27 2.91 0.04 -1.26 -4.75 135.00 130.41 1r9j s PRO 587 Ca 0.67 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1r9j s PRO 587 Cb -0.18 -1.78 0.57 0.00 0.04 0.00 0.00 34.50 33.15 1r9j s PRO 587 CO 0.26 -2.17 1.76 -0.44 0.04 0.00 0.00 177.00 176.45 1r9j h ASP 588 N -0.88 0.53 -0.56 6.66 5.19 -1.95 -1.27 116.42 124.15 1r9j h ASP 588 Ca -0.46 0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.06 1r9j h ASP 588 Cb 1.29 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.79 1r9j h ASP 588 CO 0.46 0.21 0.37 0.71 -3.12 0.00 0.00 179.24 177.87 1r9j h THR 589 N 0.62 1.13 -0.10 0.35 1.35 -1.99 0.02 112.91 114.28 1r9j h THR 589 Ca 0.48 -0.25 -0.13 0.00 -0.55 0.00 0.00 66.41 65.97 1r9j h THR 589 Cb 0.71 0.33 0.01 0.00 -1.73 0.00 0.00 68.15 67.47 1r9j h THR 589 CO -0.38 0.13 -0.43 0.22 -0.25 0.00 0.00 175.52 174.81 1r9j h TYR 590 N 0.73 0.62 -0.39 4.73 3.20 -1.59 -2.44 116.97 121.83 1r9j h TYR 590 Ca 0.21 -0.27 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1r9j h TYR 590 Cb -0.04 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1r9j h TYR 590 CO -0.00 1.03 0.23 0.00 -1.64 0.00 0.00 178.16 177.78 1r9j h ARG 591 N 0.03 0.53 -0.99 1.82 3.08 -1.10 -1.86 114.38 115.88 1r9j h ARG 591 Ca -0.03 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.05 1r9j h ARG 591 Cb 1.07 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.94 1r9j h ARG 591 CO 0.09 0.41 0.64 0.37 -1.07 0.00 0.00 179.97 180.40 1r9j h GLN 592 N 0.51 1.09 0.00 0.04 -0.00 -1.04 0.49 115.11 116.19 1r9j h GLN 592 Ca 0.14 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.65 58.66 1r9j h GLN 592 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 27.24 1r9j h GLN 592 CO -0.03 0.72 -0.31 0.00 0.00 0.00 0.00 178.83 179.22 1r9j h ALA 593 N 1.47 1.23 0.10 3.38 0.00 -0.88 -2.04 119.26 122.52 1r9j h ALA 593 Ca 0.44 -0.28 -0.31 0.00 0.00 0.00 0.00 54.91 54.76 1r9j h ALA 593 Cb 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1r9j h ALA 593 CO -0.19 0.39 -1.68 0.28 0.00 0.00 0.00 179.25 178.04 1r9j h VAL 594 N 0.00 0.81 -2.93 0.00 2.07 -0.49 -3.42 116.25 112.29 1r9j h VAL 594 Ca -0.00 -2.33 -0.61 0.00 0.82 0.00 0.00 66.70 64.57 1r9j h VAL 594 Cb 0.65 2.51 -0.41 0.00 -1.52 0.00 0.00 31.29 32.53 1r9j h VAL 594 CO 0.04 0.72 -0.65 0.18 0.02 0.00 0.00 177.57 177.88 1r9j n LEU 595 N -3.80 2.34 -4.76 2.57 4.77 0.06 -4.98 117.00 113.20 1r9j n LEU 595 Ca -0.30 -5.05 -0.41 0.00 -0.03 0.00 0.00 56.01 50.22 1r9j n LEU 595 Cb 0.94 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1r9j n LEU 595 CO 0.38 1.78 1.14 -2.16 -1.33 0.00 0.00 177.39 177.20 1r9j s PRO 596 N -1.18 4.20 0.40 3.23 0.04 -0.77 -4.55 135.00 136.37 1r9j s PRO 596 Ca 0.27 2.43 -0.27 0.00 0.04 0.00 0.00 61.00 63.46 1r9j s PRO 596 Cb -0.02 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.37 1r9j s PRO 596 CO -0.18 -0.48 1.40 0.00 0.04 0.00 0.00 177.00 177.79 1r9j s ALA 597 N -0.33 3.39 0.00 8.56 0.00 -1.26 -2.67 121.76 129.45 1r9j s ALA 597 Ca 0.58 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1r9j s ALA 597 Cb -0.44 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1r9j s ALA 597 CO 0.49 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1r9j n GLY 598 N 0.59 2.16 3.69 0.00 0.00 -1.26 -4.93 105.19 105.45 1r9j n GLY 598 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1r9j n GLY 598 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r9j s VAL 599 N -2.36 5.30 0.38 1.61 1.01 -1.09 -1.31 120.40 123.94 1r9j s VAL 599 Ca 0.00 0.45 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 1r9j s VAL 599 Cb 0.00 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1r9j s VAL 599 CO 0.00 0.34 1.44 -2.16 0.00 0.00 0.00 175.10 174.72 1r9j s PRO 600 N 0.88 4.09 -0.07 2.72 0.04 -1.26 -4.85 135.00 136.54 1r9j s PRO 600 Ca 0.14 2.47 0.03 0.00 0.04 0.00 0.00 61.00 63.68 1r9j s PRO 600 Cb -0.13 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.48 1r9j s PRO 600 CO 0.05 -0.51 -0.17 0.08 0.04 0.00 0.00 177.00 176.49 1r9j s VAL 601 N -1.14 1.46 -0.16 -0.36 1.01 -1.26 -1.93 120.40 118.02 1r9j s VAL 601 Ca 0.53 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1r9j s VAL 601 Cb -0.44 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1r9j s VAL 601 CO 0.60 0.43 -0.12 -0.69 0.00 0.00 0.00 175.10 175.31 1r9j s VAL 602 N 0.47 2.98 0.01 2.92 1.01 -0.36 -0.31 120.40 127.12 1r9j s VAL 602 Ca -0.14 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 1r9j s VAL 602 Cb -0.16 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1r9j s VAL 602 CO 0.05 0.50 0.10 -0.94 0.00 0.00 0.00 175.10 174.81 1r9j s SER 603 N 0.79 5.79 -0.10 3.32 1.04 -0.46 -0.42 113.70 123.65 1r9j s SER 603 Ca -0.04 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.54 1r9j s SER 603 Cb -0.15 -1.68 0.03 0.00 0.10 0.00 0.00 66.02 64.32 1r9j s SER 603 CO 0.01 0.25 -0.04 -0.69 0.98 0.00 0.00 173.24 173.75 1r9j s VAL 604 N -1.26 0.77 -0.28 5.02 1.01 0.14 -0.62 120.40 125.17 1r9j s VAL 604 Ca 0.25 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 1r9j s VAL 604 Cb -0.12 -0.87 0.12 0.00 0.00 0.00 0.00 36.38 35.51 1r9j s VAL 604 CO 0.17 0.29 0.89 -0.70 0.00 0.00 0.00 175.10 175.74 1r9j s GLU 605 N 1.81 0.52 0.00 2.72 2.12 -0.89 -3.66 118.70 121.32 1r9j s GLU 605 Ca 0.04 0.83 -0.01 0.00 0.36 0.00 0.00 54.97 56.19 1r9j s GLU 605 Cb -0.13 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.36 1r9j s GLU 605 CO -0.07 -0.10 1.55 0.00 -0.54 0.00 0.00 175.26 176.11 1r9j n ALA 606 N 3.52 3.35 -2.40 6.30 0.00 -1.26 -4.01 120.51 126.01 1r9j n ALA 606 Ca -0.17 -0.35 -0.21 0.00 0.00 0.00 0.00 53.44 52.70 1r9j n ALA 606 Cb 0.57 -1.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 1r9j n ALA 606 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1r9j s TYR 607 N 1.16 1.70 0.81 0.00 4.12 -1.26 -4.56 117.35 119.32 1r9j s TYR 607 Ca 0.13 -1.30 -0.11 0.00 0.02 0.00 0.00 57.07 55.81 1r9j s TYR 607 Cb 0.06 -0.99 0.08 0.00 -1.52 0.00 0.00 41.96 39.59 1r9j s TYR 607 CO 0.00 -0.40 1.10 0.14 0.02 0.00 0.00 175.55 176.40 1r9j s VAL 608 N -3.45 3.06 -0.24 0.71 -7.23 0.10 -1.15 120.40 112.19 1r9j s VAL 608 Ca 0.32 0.34 0.26 0.00 -1.81 0.00 0.00 61.98 61.10 1r9j s VAL 608 Cb 0.05 -2.77 0.34 0.00 0.56 0.00 0.00 36.38 34.56 1r9j s VAL 608 CO 0.17 -0.45 1.72 0.77 -0.31 0.00 0.00 175.10 177.00 1r9j h SER 609 N -1.30 0.00 -0.96 4.85 4.64 -1.91 -3.47 113.55 115.39 1r9j h SER 609 Ca -0.45 0.00 -0.83 0.00 -0.47 0.00 0.00 61.79 60.05 1r9j h SER 609 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1r9j h SER 609 CO 0.51 0.04 0.85 0.33 -0.87 0.00 0.00 176.83 177.68 1r9j n PHE 610 N -3.12 1.73 0.00 4.77 7.35 -1.26 -0.36 117.46 126.57 1r9j n PHE 610 Ca 0.03 0.94 0.00 0.00 -0.76 0.00 0.00 57.45 57.66 1r9j n PHE 610 Cb 0.47 -2.30 0.00 0.00 0.35 0.00 0.00 39.48 38.01 1r9j n PHE 610 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1r9j n GLY 611 N 4.65 3.42 0.26 7.13 0.00 -1.26 -4.90 105.19 114.48 1r9j n GLY 611 Ca 0.34 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.51 1r9j n GLY 611 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1r9j h TRP 612 N 0.00 0.00 -0.12 1.61 4.06 -1.04 -3.16 115.95 117.30 1r9j h TRP 612 Ca 0.00 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.98 1r9j h TRP 612 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1r9j h TRP 612 CO 0.00 0.05 0.27 1.49 -3.56 0.00 0.00 178.44 176.69 1r9j h GLU 613 N 0.00 0.00 0.00 0.49 4.22 -1.76 0.14 114.58 117.67 1r9j h GLU 613 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1r9j h GLU 613 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1r9j h GLU 613 CO 0.01 0.00 0.00 1.57 -2.18 0.00 0.00 179.01 178.41 1r9j h LYS 614 N 0.00 0.00 0.00 1.92 2.10 -1.94 -3.37 116.57 115.28 1r9j h LYS 614 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1r9j h LYS 614 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1r9j h LYS 614 CO -0.00 0.00 -0.84 0.66 -2.00 0.00 0.00 179.45 177.27 1r9j n TYR 615 N -2.48 0.00 -3.91 0.07 4.01 0.33 -4.74 117.16 110.42 1r9j n TYR 615 Ca 0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.55 1r9j n TYR 615 Cb 0.25 0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 1r9j n TYR 615 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1r9j s SER 616 N -4.78 5.81 -0.00 7.72 1.04 -0.22 -4.79 113.70 118.48 1r9j s SER 616 Ca 0.00 -0.18 0.20 0.00 0.48 0.00 0.00 55.95 56.45 1r9j s SER 616 Cb 0.00 -1.45 -0.23 0.00 0.10 0.00 0.00 66.02 64.44 1r9j s SER 616 CO 0.00 -0.16 0.83 1.41 0.98 0.00 0.00 173.24 176.30 1r9j n HIS 617 N -1.36 0.00 -3.62 5.02 8.25 0.57 -4.36 115.22 119.73 1r9j n HIS 617 Ca -0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.24 1r9j n HIS 617 Cb 0.58 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.58 1r9j n HIS 617 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r9j s ALA 618 N -2.96 -1.39 -0.05 -1.41 0.00 -1.11 -5.02 121.76 109.82 1r9j s ALA 618 Ca 0.07 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.00 1r9j s ALA 618 Cb 0.15 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1r9j s ALA 618 CO 0.84 -0.33 -0.08 -1.58 0.00 0.00 0.00 175.76 174.61 1r9j s HIS 619 N -1.19 1.05 -0.41 0.00 2.46 -1.26 -1.36 115.29 114.57 1r9j s HIS 619 Ca -0.12 -0.32 -0.08 0.00 0.47 0.00 0.00 55.06 55.01 1r9j s HIS 619 Cb -0.02 -0.80 0.08 0.00 -0.13 0.00 0.00 32.58 31.71 1r9j s HIS 619 CO 0.08 -0.19 0.23 0.08 -2.47 0.00 0.00 174.74 172.47 1r9j s VAL 620 N 0.60 4.04 0.00 0.89 1.01 0.21 -4.97 120.40 122.18 1r9j s VAL 620 Ca -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1r9j s VAL 620 Cb -0.13 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1r9j s VAL 620 CO 0.02 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.23 1r9j n GLY 621 N 4.86 2.63 3.87 4.51 0.00 -1.26 -2.10 105.19 117.71 1r9j n GLY 621 Ca -0.09 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1r9j n GLY 621 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r9j s MET 622 N 3.49 3.82 0.00 1.61 -1.94 -0.30 -4.79 119.30 121.19 1r9j s MET 622 Ca 0.00 0.30 0.04 0.00 -1.71 0.00 0.00 55.69 54.32 1r9j s MET 622 Cb 0.00 -2.67 0.00 0.00 2.01 0.00 0.00 34.83 34.17 1r9j s MET 622 CO 0.00 0.33 0.43 -1.13 -0.01 0.00 0.00 175.02 174.64 1r9j n SER 623 N -0.04 0.85 0.00 3.03 3.41 -1.26 -3.91 113.62 115.70 1r9j n SER 623 Ca -0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 1r9j n SER 623 Cb 0.52 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1r9j n SER 623 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r9j n GLY 624 N 0.58 2.31 3.83 5.00 0.00 -1.26 -5.06 105.19 110.60 1r9j n GLY 624 Ca 0.02 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 1r9j n GLY 624 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r9j s PHE 625 N -1.93 3.03 0.00 1.61 0.08 -1.26 -4.92 117.98 114.59 1r9j s PHE 625 Ca 0.00 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.18 1r9j s PHE 625 Cb 0.00 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 1r9j s PHE 625 CO 0.00 -1.52 0.00 0.41 -0.10 0.00 0.00 175.22 174.01 1r9j n GLY 626 N -2.43 0.46 3.76 4.36 0.00 -1.26 -5.04 105.19 105.04 1r9j n GLY 626 Ca 0.07 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.49 1r9j n GLY 626 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9j s ALA 627 N -3.99 -1.07 -0.51 4.61 0.00 -1.26 -4.55 121.76 115.00 1r9j s ALA 627 Ca 0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 1r9j s ALA 627 Cb 0.00 0.89 0.07 0.00 0.00 0.00 0.00 23.12 24.08 1r9j s ALA 627 CO 0.00 -0.97 0.57 0.45 0.00 0.00 0.00 175.76 175.81 1r9j s SER 628 N -2.92 6.20 -0.09 0.00 0.15 -1.26 -4.21 113.70 111.57 1r9j s SER 628 Ca 0.12 -1.10 -0.32 0.00 0.70 0.00 0.00 55.95 55.35 1r9j s SER 628 Cb -0.04 -2.26 0.13 0.00 -1.71 0.00 0.00 66.02 62.13 1r9j s SER 628 CO 0.05 -0.85 1.21 0.00 1.20 0.00 0.00 173.24 174.85 1r9j s ALA 629 N 2.35 -2.11 0.63 5.45 0.00 -1.25 -4.92 121.76 121.91 1r9j s ALA 629 Ca 0.11 1.11 -0.18 0.00 0.00 0.00 0.00 51.96 53.00 1r9j s ALA 629 Cb -0.21 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1r9j s ALA 629 CO 0.10 -0.82 1.15 -2.30 0.00 0.00 0.00 175.76 173.89 1r9j n PRO 630 N -0.29 1.02 -0.12 0.00 -0.02 -1.26 -1.91 135.00 132.42 1r9j n PRO 630 Ca -0.04 0.40 -0.07 0.00 -2.02 0.00 0.00 63.50 61.77 1r9j n PRO 630 Cb 0.60 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1r9j n PRO 630 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r9j h ALA 631 N 0.49 -0.12 -0.86 3.55 0.00 -1.83 -1.11 119.26 119.38 1r9j h ALA 631 Ca -0.50 0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.69 1r9j h ALA 631 Cb 1.35 0.67 -0.10 0.00 0.00 0.00 0.00 17.79 19.70 1r9j h ALA 631 CO 0.52 -0.69 0.41 0.78 0.00 0.00 0.00 179.25 180.27 1r9j h GLY 632 N -0.23 1.41 1.08 0.00 0.00 -1.91 -0.31 103.07 103.10 1r9j h GLY 632 Ca 0.18 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 1r9j h GLY 632 CO -0.53 -0.12 0.04 -2.08 0.00 0.00 0.00 176.54 173.85 1r9j h VAL 633 N 0.54 1.27 -0.60 4.60 2.07 -1.59 -3.03 116.25 119.50 1r9j h VAL 633 Ca 0.49 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 1r9j h VAL 633 Cb 0.79 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1r9j h VAL 633 CO -0.42 0.41 0.14 -0.07 0.02 0.00 0.00 177.57 177.65 1r9j h LEU 634 N 0.99 0.92 -1.16 2.57 3.38 -0.20 -0.50 115.31 121.32 1r9j h LEU 634 Ca 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1r9j h LEU 634 Cb 0.52 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1r9j h LEU 634 CO 0.02 0.92 0.29 1.88 0.09 0.00 0.00 178.44 181.65 1r9j h TYR 635 N 0.88 0.87 -0.09 1.13 -1.99 -1.20 -1.00 116.97 115.58 1r9j h TYR 635 Ca 0.19 -0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.79 1r9j h TYR 635 Cb 0.36 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.82 1r9j h TYR 635 CO 0.03 0.64 -0.31 0.87 -0.00 0.00 0.00 178.16 179.39 1r9j h LYS 636 N 0.88 0.37 -0.57 4.88 1.57 -1.40 -0.66 116.57 121.64 1r9j h LYS 636 Ca 0.22 -0.28 0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1r9j h LYS 636 Cb 0.10 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.38 1r9j h LYS 636 CO -0.03 0.91 0.14 -0.22 -0.57 0.00 0.00 179.45 179.68 1r9j h LYS 637 N -0.09 0.28 -0.15 3.15 3.64 -0.76 -1.87 116.57 120.77 1r9j h LYS 637 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1r9j h LYS 637 Cb 0.95 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1r9j h LYS 637 CO 0.07 0.18 0.00 1.19 -2.27 0.00 0.00 179.45 178.62 1r9j n PHE 638 N -5.09 0.19 -1.33 1.91 3.72 -0.41 -4.92 117.46 111.53 1r9j n PHE 638 Ca 0.08 -0.10 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 1r9j n PHE 638 Cb 0.29 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 1r9j n PHE 638 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r9j n GLY 639 N 1.04 0.78 3.25 1.37 0.00 -0.70 -4.86 105.19 106.07 1r9j n GLY 639 Ca 0.15 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 1r9j n GLY 639 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r9j n ILE 640 N -2.98 4.68 -4.18 -0.61 5.41 -0.27 -4.68 119.36 116.73 1r9j n ILE 640 Ca -0.07 -5.32 -0.11 0.00 1.00 0.00 0.00 62.75 58.25 1r9j n ILE 640 Cb 0.27 -2.43 -0.10 0.00 -0.71 0.00 0.00 39.64 36.67 1r9j n ILE 640 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1r9j s THR 641 N -1.00 0.32 0.21 1.39 -4.23 -1.26 -4.64 115.64 106.43 1r9j s THR 641 Ca 0.34 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.82 1r9j s THR 641 Cb -0.04 -2.06 0.15 0.00 1.34 0.00 0.00 72.50 71.89 1r9j s THR 641 CO -0.01 -0.48 1.82 0.58 -0.54 0.00 0.00 174.62 175.98 1r9j h VAL 642 N 2.81 1.00 -0.64 2.29 2.07 -1.92 -1.70 116.25 120.14 1r9j h VAL 642 Ca -0.36 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1r9j h VAL 642 Cb 1.20 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1r9j h VAL 642 CO 0.61 0.13 0.34 1.05 0.02 0.00 0.00 177.57 179.72 1r9j h GLU 643 N 0.73 0.89 -0.22 1.57 9.09 -1.96 0.12 114.58 124.81 1r9j h GLU 643 Ca 0.30 -0.10 -0.14 0.00 0.05 0.00 0.00 59.36 59.47 1r9j h GLU 643 Cb 0.15 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 27.07 1r9j h GLU 643 CO -0.17 0.66 -0.45 1.49 0.05 0.00 0.00 179.01 180.60 1r9j h GLU 644 N 0.90 0.54 -0.14 1.06 4.57 -1.66 -0.59 114.58 119.25 1r9j h GLU 644 Ca 0.23 -0.29 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1r9j h GLU 644 Cb 0.04 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1r9j h GLU 644 CO -0.04 0.88 -0.06 0.28 -1.18 0.00 0.00 179.01 178.89 1r9j h VAL 645 N 0.44 1.31 -0.23 0.32 2.07 -0.61 -1.31 116.25 118.25 1r9j h VAL 645 Ca 0.03 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.50 1r9j h VAL 645 Cb 0.95 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1r9j h VAL 645 CO 0.08 0.32 0.02 0.58 0.02 0.00 0.00 177.57 178.59 1r9j h VAL 646 N -0.04 0.86 -0.78 2.57 2.07 -0.71 0.21 116.25 120.44 1r9j h VAL 646 Ca 0.03 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1r9j h VAL 646 Cb 0.52 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1r9j h VAL 646 CO 0.02 0.02 0.50 0.03 0.02 0.00 0.00 177.57 178.16 1r9j h ARG 647 N 0.10 1.03 -0.15 1.57 3.08 -1.03 -1.04 114.38 117.93 1r9j h ARG 647 Ca 0.11 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.89 1r9j h ARG 647 Cb 0.12 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 29.95 1r9j h ARG 647 CO -0.16 0.70 -0.66 1.15 -1.07 0.00 0.00 179.97 179.93 1r9j h THR 648 N 1.06 1.30 -0.82 2.04 2.02 -0.64 -2.81 112.91 115.06 1r9j h THR 648 Ca 0.28 -1.89 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1r9j h THR 648 Cb -0.10 2.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 1r9j h THR 648 CO -0.06 0.59 0.48 1.23 0.37 0.00 0.00 175.52 178.13 1r9j h GLY 649 N 0.42 1.20 0.87 2.16 0.00 -0.27 -1.47 103.07 105.97 1r9j h GLY 649 Ca -0.04 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1r9j h GLY 649 CO 0.14 0.49 -0.02 3.21 0.00 0.00 0.00 176.54 180.36 1r9j h ARG 650 N 1.14 -0.05 -0.55 4.80 3.08 -1.17 -1.27 114.38 120.35 1r9j h ARG 650 Ca 0.29 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 1r9j h ARG 650 Cb -0.02 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1r9j h ARG 650 CO -0.05 0.09 0.23 0.93 -1.07 0.00 0.00 179.97 180.10 1r9j h GLU 651 N -0.18 0.79 -0.16 0.04 5.08 -1.30 -1.08 114.58 117.76 1r9j h GLU 651 Ca -0.01 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1r9j h GLU 651 Cb 0.16 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1r9j h GLU 651 CO 0.01 0.64 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.52 1r9j h LEU 652 N 0.78 0.34 -1.36 1.33 3.38 -1.12 -0.67 115.31 117.99 1r9j h LEU 652 Ca 0.19 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1r9j h LEU 652 Cb 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1r9j h LEU 652 CO -0.02 0.66 -0.02 0.00 0.09 0.00 0.00 178.44 179.15 1r9j h ALA 653 N 0.69 1.48 -0.22 1.53 0.00 -1.07 0.14 119.26 121.82 1r9j h ALA 653 Ca 0.04 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1r9j h ALA 653 Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1r9j h ALA 653 CO 0.02 0.37 -0.62 -0.22 0.00 0.00 0.00 179.25 178.80 1r9j h LYS 654 N 0.39 0.82 0.01 0.00 3.64 -1.04 -3.02 116.57 117.36 1r9j h LYS 654 Ca 0.09 -0.58 -0.20 0.00 -1.27 0.00 0.00 60.65 58.69 1r9j h LYS 654 Cb 0.29 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1r9j h LYS 654 CO 0.01 1.20 -0.88 -0.09 -2.27 0.00 0.00 179.45 177.42 1r9j h ARG 655 N 0.57 0.14 -2.24 1.90 2.43 -0.76 -3.38 114.38 113.05 1r9j h ARG 655 Ca -0.01 -0.17 -0.59 0.00 -0.81 0.00 0.00 59.98 58.40 1r9j h ARG 655 Cb 1.24 0.05 -0.41 0.00 -0.42 0.00 0.00 29.97 30.43 1r9j h ARG 655 CO 0.13 0.93 -0.76 1.19 -1.51 0.00 0.00 179.97 179.96 1r9j n PHE 656 N -3.62 2.25 -1.98 2.20 3.01 0.01 -4.99 117.46 114.34 1r9j n PHE 656 Ca -0.03 -3.96 -0.32 0.00 1.01 0.00 0.00 57.45 54.15 1r9j n PHE 656 Cb 0.82 -0.46 0.01 0.00 -0.01 0.00 0.00 39.48 39.83 1r9j n PHE 656 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1r9j s PRO 657 N -1.88 3.40 -0.03 -1.08 0.04 -1.14 -4.32 135.00 129.98 1r9j s PRO 657 Ca 0.37 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 1r9j s PRO 657 Cb 0.13 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1r9j s PRO 657 CO -0.06 -0.73 0.05 -0.40 0.04 0.00 0.00 177.00 175.89 1r9j n ASP 658 N -2.32 -0.73 0.00 6.66 5.68 -1.26 -2.23 116.55 122.35 1r9j n ASP 658 Ca 0.08 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 1r9j n ASP 658 Cb 0.53 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1r9j n ASP 658 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r9j n GLY 659 N 0.25 0.34 0.88 6.12 0.00 -1.21 -4.90 105.19 106.68 1r9j n GLY 659 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1r9j n GLY 659 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r9j n THR 660 N -2.47 0.19 -1.82 2.61 -2.24 -0.95 -4.59 114.28 105.01 1r9j n THR 660 Ca 0.00 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1r9j n THR 660 Cb 0.17 1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 69.41 1r9j n THR 660 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r9j s ALA 661 N -1.81 3.59 0.29 6.98 0.00 -0.43 -4.89 121.76 125.49 1r9j s ALA 661 Ca 0.34 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.56 1r9j s ALA 661 Cb 0.21 -3.61 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 1r9j s ALA 661 CO 0.31 -1.03 1.26 -2.30 0.00 0.00 0.00 175.76 174.00 1r9j n PRO 662 N 0.69 1.90 -2.45 0.00 -0.02 -1.26 -4.02 135.00 129.83 1r9j n PRO 662 Ca 0.02 0.67 -0.40 0.00 -2.02 0.00 0.00 63.50 61.77 1r9j n PRO 662 Cb 0.39 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 1r9j n PRO 662 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1r9j s LEU 663 N -0.30 4.47 0.39 2.45 1.43 -1.26 -4.69 118.68 121.16 1r9j s LEU 663 Ca 0.61 2.28 -0.08 0.00 -1.03 0.00 0.00 54.13 55.90 1r9j s LEU 663 Cb -0.63 -3.72 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 1r9j s LEU 663 CO 0.57 -0.25 0.72 -0.54 0.23 0.00 0.00 176.35 177.08 1r9j s LYS 664 N -1.65 3.69 0.25 1.70 -0.14 -1.26 -4.98 119.74 117.35 1r9j s LYS 664 Ca 0.47 0.29 -0.03 0.00 -1.36 0.00 0.00 55.97 55.34 1r9j s LYS 664 Cb -0.31 -2.46 0.47 0.00 -1.68 0.00 0.00 37.83 33.86 1r9j s LYS 664 CO 0.40 -0.00 1.76 -0.91 -0.76 0.00 0.00 175.35 175.84 1r9j h ASN 665 N 1.16 0.46 -0.08 2.83 4.21 -1.90 -1.87 115.58 120.38 1r9j h ASN 665 Ca -0.47 0.09 0.02 0.00 1.21 0.00 0.00 56.30 57.15 1r9j h ASN 665 Cb 1.19 0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1r9j h ASN 665 CO 0.64 0.21 0.07 0.77 -1.29 0.00 0.00 177.43 177.83 1r9j h SER 666 N 0.58 0.00 0.10 5.81 4.64 -1.94 -1.43 113.55 121.32 1r9j h SER 666 Ca 0.43 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.59 1r9j h SER 666 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1r9j h SER 666 CO -0.35 0.00 -0.58 0.77 -0.87 0.00 0.00 176.83 175.80 1r9j h SER 667 N 0.00 0.55 -0.31 4.97 4.64 -1.73 -3.25 113.55 118.42 1r9j h SER 667 Ca 0.04 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1r9j h SER 667 Cb 0.18 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1r9j h SER 667 CO -0.00 1.01 0.00 2.22 -0.87 0.00 0.00 176.83 179.19 1r9j n PHE 668 N -3.93 0.41 1.83 4.77 -1.74 -1.06 -5.08 117.46 112.66 1r9j n PHE 668 Ca -0.03 -0.41 0.15 0.00 -0.56 0.00 0.00 57.45 56.60 1r9j n PHE 668 Cb 0.62 -0.02 0.81 0.00 1.52 0.00 0.00 39.48 42.40 1r9j n PHE 668 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65