#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqj h PHE 24 N 0.00 0.70 -0.41 -0.67 3.57 -2.01 -2.47 116.94 115.65 1rqj h PHE 24 Ca 0.00 -0.26 0.03 0.00 3.53 0.00 0.00 57.97 61.28 1rqj h PHE 24 Cb 0.00 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1rqj h PHE 24 CO 0.00 1.00 0.27 -1.35 -2.23 0.00 0.00 178.31 176.00 1rqj h PRO 25 N 0.20 0.41 0.00 6.41 0.11 -2.02 -1.02 132.00 136.08 1rqj h PRO 25 Ca 0.00 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.94 1rqj h PRO 25 Cb 0.96 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1rqj h PRO 25 CO 0.08 0.27 -0.72 1.96 -0.21 0.00 0.00 178.00 179.38 1rqj h GLN 26 N 0.42 0.00 -0.28 1.05 1.08 -1.98 -2.49 115.11 112.91 1rqj h GLN 26 Ca 0.17 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 1rqj h GLN 26 Cb 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1rqj h GLN 26 CO -0.04 0.72 0.07 1.96 -0.95 0.00 0.00 178.83 180.59 1rqj h GLN 27 N 0.00 0.45 -0.47 1.46 1.08 -0.86 -0.79 115.11 115.99 1rqj h GLN 27 Ca -0.01 -0.11 0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1rqj h GLN 27 Cb 1.45 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.79 1rqj h GLN 27 CO 0.09 0.53 0.27 -0.07 -0.95 0.00 0.00 178.83 178.70 1rqj h LEU 28 N 0.29 0.42 -0.33 1.46 3.38 -1.21 -0.28 115.31 119.04 1rqj h LEU 28 Ca 0.09 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 1rqj h LEU 28 Cb 0.27 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rqj h LEU 28 CO -0.00 0.30 -0.52 -0.08 0.09 0.00 0.00 178.44 178.23 1rqj h GLU 29 N 0.53 0.86 -0.74 1.13 4.81 -1.39 -0.63 114.58 119.16 1rqj h GLU 29 Ca 0.19 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1rqj h GLU 29 Cb 0.04 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1rqj h GLU 29 CO -0.10 1.17 0.40 0.00 -0.73 0.00 0.00 179.01 179.75 1rqj h ALA 30 N 0.73 1.32 -0.19 2.92 0.00 -0.99 -2.20 119.26 120.85 1rqj h ALA 30 Ca 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1rqj h ALA 30 Cb 1.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1rqj h ALA 30 CO 0.12 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.91 1rqj h VAL 32 N 0.08 0.89 -0.18 0.00 2.07 -0.98 0.15 116.25 118.28 1rqj h VAL 32 Ca 0.05 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1rqj h VAL 32 Cb 0.41 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1rqj h VAL 32 CO 0.01 0.17 -0.40 0.11 0.02 0.00 0.00 177.57 177.47 1rqj h LYS 33 N 0.91 0.59 -0.34 1.57 1.57 -1.07 -0.31 116.57 119.49 1rqj h LYS 33 Ca 0.48 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1rqj h LYS 33 Cb 0.50 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1rqj h LYS 33 CO -0.28 1.01 0.20 0.37 -0.57 0.00 0.00 179.45 180.18 1rqj h GLN 34 N 0.25 0.40 -0.42 3.15 5.75 -0.58 -1.99 115.11 121.67 1rqj h GLN 34 Ca 0.00 -0.02 -0.15 0.00 -0.15 0.00 0.00 58.65 58.33 1rqj h GLN 34 Cb 1.01 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.46 1rqj h GLN 34 CO 0.09 0.26 -0.33 0.00 -2.65 0.00 0.00 178.83 176.20 1rqj h ALA 35 N 1.15 0.60 -0.82 3.38 0.00 -0.63 -1.72 119.26 121.22 1rqj h ALA 35 Ca 0.13 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1rqj h ALA 35 Cb -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1rqj h ALA 35 CO -0.06 0.67 0.39 -0.91 0.00 0.00 0.00 179.25 179.34 1rqj h ASN 36 N 0.80 1.08 -0.54 0.00 2.35 -0.97 0.00 115.58 118.31 1rqj h ASN 36 Ca 0.08 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 1rqj h ASN 36 Cb 0.92 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1rqj h ASN 36 CO 0.09 0.91 -0.11 -0.61 -1.65 0.00 0.00 177.43 176.06 1rqj h GLN 37 N 1.18 1.03 0.06 0.81 4.15 -1.17 -0.88 115.11 120.29 1rqj h GLN 37 Ca 0.28 -0.38 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1rqj h GLN 37 Cb 0.13 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1rqj h GLN 37 CO -0.03 1.07 -0.03 0.00 -1.93 0.00 0.00 178.83 177.90 1rqj h ALA 38 N 0.95 -0.08 -0.32 3.38 0.00 -0.95 -1.61 119.26 120.64 1rqj h ALA 38 Ca 0.14 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1rqj h ALA 38 Cb 0.67 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1rqj h ALA 38 CO 0.05 -0.41 0.03 -0.07 0.00 0.00 0.00 179.25 178.84 1rqj h LEU 39 N -0.35 -0.07 -1.21 0.00 3.38 -0.98 -2.37 115.31 113.71 1rqj h LEU 39 Ca -0.01 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1rqj h LEU 39 Cb 0.31 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1rqj h LEU 39 CO 0.01 -0.00 0.55 0.28 0.09 0.00 0.00 178.44 179.37 1rqj h SER 40 N 0.13 0.90 -0.13 -0.43 0.02 -1.07 -1.29 113.55 111.68 1rqj h SER 40 Ca 0.15 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1rqj h SER 40 Cb 0.19 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1rqj h SER 40 CO -0.23 0.63 -0.11 0.03 -1.14 0.00 0.00 176.83 176.00 1rqj h ARG 41 N 1.05 0.47 0.00 3.45 3.08 -0.81 -1.46 114.38 120.16 1rqj h ARG 41 Ca 0.32 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1rqj h ARG 41 Cb -0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1rqj h ARG 41 CO -0.09 0.58 -0.46 0.74 -1.07 0.00 0.00 179.97 179.68 1rqj h PHE 42 N 0.44 0.00 0.00 3.04 0.05 -0.90 -3.27 116.94 116.30 1rqj h PHE 42 Ca 0.08 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.86 1rqj h PHE 42 Cb 0.47 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.41 1rqj h PHE 42 CO 0.01 0.09 -0.86 0.82 -0.18 0.00 0.00 178.31 178.19 1rqj h ILE 43 N 0.00 0.06 -0.35 -0.55 2.04 -0.98 -3.40 117.51 114.33 1rqj h ILE 43 Ca -0.01 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 1rqj h ILE 43 Cb 1.07 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1rqj h ILE 43 CO 0.01 0.04 0.13 0.00 0.00 0.00 0.00 178.15 178.33 1rqj h ALA 44 N 1.94 0.46 0.00 1.87 0.00 -1.32 -2.42 119.26 119.78 1rqj h ALA 44 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rqj h ALA 44 Cb 1.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1rqj h ALA 44 CO 0.01 0.06 0.00 -2.30 0.00 0.00 0.00 179.25 177.02 1rqj n PRO 45 N -4.68 0.21 -2.10 0.00 -0.02 -1.26 -4.84 135.00 122.30 1rqj n PRO 45 Ca -0.01 0.11 -0.40 0.00 -2.02 0.00 0.00 63.50 61.18 1rqj n PRO 45 Cb 0.15 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.11 1rqj n PRO 45 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rqj s LEU 46 N -2.68 4.33 0.99 2.45 1.43 -0.91 -5.02 118.68 119.27 1rqj s LEU 46 Ca 0.17 2.65 -0.14 0.00 -1.03 0.00 0.00 54.13 55.78 1rqj s LEU 46 Cb 0.13 -3.77 0.18 0.00 0.03 0.00 0.00 46.19 42.77 1rqj s LEU 46 CO 0.32 -0.66 1.16 -2.16 0.23 0.00 0.00 176.35 175.23 1rqj s PRO 47 N -1.99 0.48 -1.41 1.29 0.04 -1.26 -4.21 135.00 127.93 1rqj s PRO 47 Ca 0.52 0.12 -0.01 0.00 0.04 0.00 0.00 61.00 61.68 1rqj s PRO 47 Cb -0.39 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1rqj s PRO 47 CO 0.51 -2.61 0.14 1.19 0.04 0.00 0.00 177.00 176.27 1rqj n PHE 48 N -4.02 -1.04 -1.67 0.56 3.72 -1.26 -4.97 117.46 108.78 1rqj n PHE 48 Ca 0.09 0.12 -0.38 0.00 -0.05 0.00 0.00 57.45 57.23 1rqj n PHE 48 Cb 0.59 -3.57 0.05 0.00 -0.94 0.00 0.00 39.48 35.61 1rqj n PHE 48 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1rqj n GLN 49 N -2.87 1.24 -2.85 -1.08 1.13 -1.26 -2.65 117.38 109.03 1rqj n GLN 49 Ca -0.17 0.46 -0.21 0.00 -1.94 0.00 0.00 57.00 55.14 1rqj n GLN 49 Cb 0.64 -2.32 0.01 0.00 0.11 0.00 0.00 30.24 28.68 1rqj n GLN 49 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1rqj n ASN 50 N -0.77 -5.41 -4.59 1.08 3.02 -1.26 -5.01 115.26 102.32 1rqj n ASN 50 Ca 0.12 -0.18 -0.23 0.00 -0.03 0.00 0.00 54.58 54.26 1rqj n ASN 50 Cb 0.45 -4.44 -0.08 0.00 -0.61 0.00 0.00 39.78 35.10 1rqj n ASN 50 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1rqj s THR 51 N -3.03 3.10 0.25 3.41 -4.23 -1.09 -5.01 115.64 109.04 1rqj s THR 51 Ca 0.21 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1rqj s THR 51 Cb -0.10 -2.67 0.22 0.00 1.34 0.00 0.00 72.50 71.30 1rqj s THR 51 CO 0.26 -0.37 1.75 -0.65 -0.54 0.00 0.00 174.62 175.06 1rqj h PRO 52 N 2.00 0.54 -0.32 3.99 0.11 -1.95 -0.73 132.00 135.65 1rqj h PRO 52 Ca -0.43 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1rqj h PRO 52 Cb 1.25 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1rqj h PRO 52 CO 0.61 0.36 -0.20 -0.24 -0.21 0.00 0.00 178.00 178.31 1rqj h VAL 53 N 0.56 1.29 -0.14 3.15 3.04 -1.90 0.01 116.25 122.25 1rqj h VAL 53 Ca 0.43 -1.34 -0.14 0.00 -1.01 0.00 0.00 66.70 64.64 1rqj h VAL 53 Cb 0.60 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1rqj h VAL 53 CO -0.36 0.43 -0.51 0.58 -1.01 0.00 0.00 177.57 176.70 1rqj h VAL 54 N 0.47 1.33 -0.23 1.51 2.07 -1.73 -1.56 116.25 118.11 1rqj h VAL 54 Ca 0.07 -1.75 -0.08 0.00 0.82 0.00 0.00 66.70 65.76 1rqj h VAL 54 Cb 0.75 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1rqj h VAL 54 CO 0.06 0.53 -0.19 -0.33 0.02 0.00 0.00 177.57 177.66 1rqj h GLU 55 N 0.31 0.40 -0.33 1.57 5.08 -0.97 -0.96 114.58 119.69 1rqj h GLU 55 Ca 0.01 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1rqj h GLU 55 Cb 1.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1rqj h GLU 55 CO 0.09 0.58 -0.03 1.15 -1.00 0.00 0.00 179.01 179.80 1rqj h THR 56 N 0.37 1.27 -0.85 1.13 2.02 -0.63 -0.91 112.91 115.30 1rqj h THR 56 Ca 0.06 -1.02 0.04 0.00 0.77 0.00 0.00 66.41 66.26 1rqj h THR 56 Cb 0.55 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1rqj h THR 56 CO 0.04 0.33 0.55 0.24 0.37 0.00 0.00 175.52 177.05 1rqj h MET 57 N 0.39 1.02 -0.24 6.66 2.86 -0.96 0.42 114.93 125.09 1rqj h MET 57 Ca 0.09 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.52 1rqj h MET 57 Cb 0.49 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1rqj h MET 57 CO 0.02 0.68 -0.42 1.96 1.06 0.00 0.00 176.91 180.21 1rqj h GLN 58 N 1.05 0.71 -0.30 1.72 4.20 -1.03 -1.09 115.11 120.38 1rqj h GLN 58 Ca 0.34 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1rqj h GLN 58 Cb 0.03 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1rqj h GLN 58 CO -0.12 1.06 0.16 -0.92 -0.67 0.00 0.00 178.83 178.34 1rqj h TYR 59 N 0.43 0.41 -0.07 2.96 3.20 -0.96 0.14 116.97 123.08 1rqj h TYR 59 Ca 0.02 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1rqj h TYR 59 Cb 1.02 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1rqj h TYR 59 CO 0.08 0.34 -0.51 0.78 -1.64 0.00 0.00 178.16 177.21 1rqj h GLY 60 N 0.36 0.20 0.80 1.82 0.00 -0.84 -2.98 103.07 102.43 1rqj h GLY 60 Ca 0.10 -0.22 -0.33 0.00 0.00 0.00 0.00 47.33 46.89 1rqj h GLY 60 CO -0.02 0.19 -1.85 0.00 0.00 0.00 0.00 176.54 174.87 1rqj n ALA 61 N -2.46 1.23 -0.01 3.60 0.00 -0.42 -4.71 120.51 117.73 1rqj n ALA 61 Ca -0.02 -0.70 0.01 0.00 0.00 0.00 0.00 53.44 52.74 1rqj n ALA 61 Cb 0.55 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 1rqj n ALA 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rqj n LEU 62 N -3.23 0.00 -4.42 0.00 4.77 0.03 -4.89 117.00 109.25 1rqj n LEU 62 Ca -0.24 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.30 1rqj n LEU 62 Cb 1.05 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 42.17 1rqj n LEU 62 CO 0.44 0.06 0.82 -0.22 -1.33 0.00 0.00 177.39 177.16 1rqj s LEU 63 N -3.88 5.32 0.00 2.23 2.96 -1.12 -4.89 118.68 119.30 1rqj s LEU 63 Ca -0.03 -2.02 0.00 0.00 -0.22 0.00 0.00 54.13 51.86 1rqj s LEU 63 Cb 0.04 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1rqj s LEU 63 CO 0.31 -1.02 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 1rqj n GLY 64 N 5.21 -0.59 0.00 7.98 0.00 -1.26 -4.93 105.19 111.60 1rqj n GLY 64 Ca 0.17 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1rqj n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqj n GLY 65 N -0.63 2.77 0.01 -0.02 0.00 -1.26 -4.90 105.19 101.15 1rqj n GLY 65 Ca 0.00 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.28 1rqj n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rqj n LYS 66 N 0.48 0.04 -3.95 1.61 5.02 -1.26 -4.96 118.16 115.13 1rqj n LYS 66 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 1rqj n LYS 66 Cb 0.00 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.50 1rqj n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rqj n ARG 67 N -1.57 -4.68 0.22 1.97 5.12 -1.26 -4.71 116.66 111.76 1rqj n ARG 67 Ca 0.05 0.53 0.09 0.00 -1.93 0.00 0.00 57.85 56.59 1rqj n ARG 67 Cb 0.35 -5.25 0.48 0.00 -1.16 0.00 0.00 32.46 26.88 1rqj n ARG 67 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1rqj h LEU 68 N -1.90 0.00 -0.01 0.55 3.38 -1.98 -1.58 115.31 113.78 1rqj h LEU 68 Ca -0.59 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.34 1rqj h LEU 68 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1rqj h LEU 68 CO 0.67 0.25 -0.14 0.03 0.09 0.00 0.00 178.44 179.34 1rqj h ARG 69 N 0.00 0.11 -0.78 1.13 3.08 -1.97 -1.22 114.38 114.73 1rqj h ARG 69 Ca -0.00 -0.11 0.16 0.00 0.07 0.00 0.00 59.98 60.10 1rqj h ARG 69 Cb 0.69 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.66 1rqj h ARG 69 CO 0.03 0.84 0.28 -1.35 -1.07 0.00 0.00 179.97 178.70 1rqj h PRO 70 N -0.57 0.38 -0.59 0.04 0.11 -1.76 -1.46 132.00 128.15 1rqj h PRO 70 Ca -0.02 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.19 1rqj h PRO 70 Cb 0.88 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 31.81 1rqj h PRO 70 CO 0.03 0.25 0.03 0.35 -0.21 0.00 0.00 178.00 178.45 1rqj h PHE 71 N 0.39 0.02 -0.73 0.65 3.04 -1.03 0.77 116.94 120.04 1rqj h PHE 71 Ca 0.44 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.39 1rqj h PHE 71 Cb 0.73 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 1rqj h PHE 71 CO -0.19 -0.12 0.29 -0.07 -2.02 0.00 0.00 178.31 176.20 1rqj h LEU 72 N 0.15 1.01 0.15 0.59 3.38 -0.53 0.19 115.31 120.25 1rqj h LEU 72 Ca 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1rqj h LEU 72 Cb 0.48 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1rqj h LEU 72 CO -0.48 0.91 -0.07 0.58 0.09 0.00 0.00 178.44 179.48 1rqj h VAL 73 N 1.06 0.92 -0.45 1.22 2.07 -0.25 -1.92 116.25 118.91 1rqj h VAL 73 Ca 0.24 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1rqj h VAL 73 Cb 0.22 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1rqj h VAL 73 CO -0.02 0.07 0.28 1.88 0.02 0.00 0.00 177.57 179.80 1rqj h TYR 74 N -0.33 0.58 -0.25 1.57 0.05 -0.75 -1.88 116.97 115.96 1rqj h TYR 74 Ca -0.02 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.63 1rqj h TYR 74 Cb 0.26 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1rqj h TYR 74 CO -0.03 0.40 -0.39 0.00 -1.05 0.00 0.00 178.16 177.09 1rqj h ALA 75 N 1.14 0.85 0.14 3.88 0.00 -0.59 -1.26 119.26 123.41 1rqj h ALA 75 Ca 0.16 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1rqj h ALA 75 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1rqj h ALA 75 CO -0.03 0.64 -0.07 1.15 0.00 0.00 0.00 179.25 180.94 1rqj h THR 76 N 0.49 1.01 -0.96 0.00 2.02 -1.26 -2.93 112.91 111.29 1rqj h THR 76 Ca 0.04 -0.97 0.02 0.00 0.77 0.00 0.00 66.41 66.27 1rqj h THR 76 Cb 0.89 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.84 1rqj h THR 76 CO 0.08 0.22 0.63 1.23 0.37 0.00 0.00 175.52 178.05 1rqj h GLY 77 N -0.68 1.37 1.38 2.16 0.00 -1.31 -2.39 103.07 103.59 1rqj h GLY 77 Ca -0.02 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 46.86 1rqj h GLY 77 CO 0.03 0.46 0.33 0.45 0.00 0.00 0.00 176.54 177.80 1rqj h HIS 78 N 1.26 0.50 -0.54 5.60 3.86 -1.27 -1.52 115.15 123.03 1rqj h HIS 78 Ca 0.36 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.70 1rqj h HIS 78 Cb -0.09 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 1rqj h HIS 78 CO -0.01 0.29 0.37 0.52 0.86 0.00 0.00 177.93 179.97 1rqj h MET 79 N 0.52 0.22 -0.56 2.45 2.86 -1.23 -2.02 114.93 117.17 1rqj h MET 79 Ca 0.20 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1rqj h MET 79 Cb 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1rqj h MET 79 CO -0.05 0.14 0.00 1.19 1.06 0.00 0.00 176.91 179.25 1rqj n PHE 80 N -4.44 0.73 -0.74 -0.22 3.01 -0.64 -4.71 117.46 110.45 1rqj n PHE 80 Ca 0.09 -0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.13 1rqj n PHE 80 Cb 0.46 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1rqj n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rqj n GLY 81 N 1.38 0.58 3.75 1.37 0.00 -0.76 -5.02 105.19 106.48 1rqj n GLY 81 Ca 0.20 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1rqj n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rqj s VAL 82 N -2.00 4.01 0.34 1.61 1.01 -0.80 -4.96 120.40 119.61 1rqj s VAL 82 Ca 0.00 1.92 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 1rqj s VAL 82 Cb 0.00 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 1rqj s VAL 82 CO 0.00 0.42 1.47 -0.55 0.00 0.00 0.00 175.10 176.44 1rqj s SER 83 N -0.80 6.44 0.27 3.32 0.15 -1.26 -4.29 113.70 117.54 1rqj s SER 83 Ca 0.44 2.94 -0.00 0.00 0.70 0.00 0.00 55.95 60.02 1rqj s SER 83 Cb -0.27 -2.66 0.49 0.00 -1.71 0.00 0.00 66.02 61.88 1rqj s SER 83 CO 0.34 -0.81 1.85 0.74 1.20 0.00 0.00 173.24 176.55 1rqj h THR 84 N 3.11 0.97 -0.72 6.45 2.02 -1.97 -1.93 112.91 120.84 1rqj h THR 84 Ca -0.49 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 1rqj h THR 84 Cb 1.23 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1rqj h THR 84 CO 0.68 0.19 0.31 -1.13 0.37 0.00 0.00 175.52 175.94 1rqj h ASN 85 N 1.03 0.96 -0.80 4.18 -1.24 -2.00 -1.28 115.58 116.43 1rqj h ASN 85 Ca 0.47 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.34 1rqj h ASN 85 Cb 0.38 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 39.14 1rqj h ASN 85 CO -0.24 0.84 0.44 0.74 -1.29 0.00 0.00 177.43 177.93 1rqj h THR 86 N 1.04 1.24 0.00 -3.57 2.02 -1.69 -3.14 112.91 108.80 1rqj h THR 86 Ca 0.25 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1rqj h THR 86 Cb 0.16 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1rqj h THR 86 CO -0.03 0.26 0.00 -0.07 0.37 0.00 0.00 175.52 176.06 1rqj h LEU 87 N 1.11 0.00 -1.04 2.58 3.38 -0.61 -3.11 115.31 117.61 1rqj h LEU 87 Ca 0.28 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.38 1rqj h LEU 87 Cb 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1rqj h LEU 87 CO -0.05 0.00 0.63 0.44 0.09 0.00 0.00 178.44 179.55 1rqj h ASP 88 N 0.00 0.89 0.68 -0.43 3.32 -1.22 -0.44 116.42 119.22 1rqj h ASP 88 Ca 0.00 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1rqj h ASP 88 Cb 0.57 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1rqj h ASP 88 CO 0.00 0.46 -0.33 0.00 -1.72 0.00 0.00 179.24 177.65 1rqj h ALA 89 N 1.55 -1.18 -0.14 3.45 0.00 -1.74 0.35 119.26 121.55 1rqj h ALA 89 Ca 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1rqj h ALA 89 Cb 0.54 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1rqj h ALA 89 CO -0.27 -1.11 0.04 -1.00 0.00 0.00 0.00 179.25 176.91 1rqj h PRO 90 N -0.96 0.19 -0.39 0.00 0.13 -1.75 -0.74 132.00 128.48 1rqj h PRO 90 Ca -0.09 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1rqj h PRO 90 Cb 0.70 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 1rqj h PRO 90 CO 0.15 0.18 0.19 0.00 -0.23 0.00 0.00 178.00 178.29 1rqj h ALA 91 N 1.85 0.50 -0.32 -0.56 0.00 -0.95 -1.28 119.26 118.51 1rqj h ALA 91 Ca 0.05 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1rqj h ALA 91 Cb 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1rqj h ALA 91 CO -0.00 0.07 -0.47 0.00 0.00 0.00 0.00 179.25 178.84 1rqj h ALA 92 N 1.04 0.56 -0.42 0.00 0.00 -0.57 -2.66 119.26 117.22 1rqj h ALA 92 Ca 0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1rqj h ALA 92 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1rqj h ALA 92 CO -0.02 0.68 0.09 0.00 0.00 0.00 0.00 179.25 180.01 1rqj h ALA 93 N 0.78 0.55 -0.35 0.00 0.00 -0.96 -0.22 119.26 119.06 1rqj h ALA 93 Ca 0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1rqj h ALA 93 Cb 1.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1rqj h ALA 93 CO 0.11 0.24 -0.10 -0.24 0.00 0.00 0.00 179.25 179.26 1rqj h VAL 94 N 0.54 1.24 -0.04 0.00 3.04 -1.24 -2.46 116.25 117.32 1rqj h VAL 94 Ca 0.13 -1.03 -0.12 0.00 -1.01 0.00 0.00 66.70 64.67 1rqj h VAL 94 Cb 0.33 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 1rqj h VAL 94 CO 0.00 0.34 -0.53 -0.08 -1.01 0.00 0.00 177.57 176.29 1rqj h GLU 95 N 0.54 0.12 -0.65 4.17 4.57 -1.18 -0.80 114.58 121.36 1rqj h GLU 95 Ca 0.10 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1rqj h GLU 95 Cb 0.49 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 1rqj h GLU 95 CO 0.03 0.63 0.10 0.00 -1.18 0.00 0.00 179.01 178.59 1rqj h ILE 97 N 0.99 1.24 -0.00 0.00 1.08 -1.27 -1.32 117.51 118.23 1rqj h ILE 97 Ca 0.20 -0.80 0.03 0.00 -0.39 0.00 0.00 64.86 63.90 1rqj h ILE 97 Cb 0.44 1.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 1rqj h ILE 97 CO 0.01 0.24 -0.24 -0.74 -0.69 0.00 0.00 178.15 176.73 1rqj h HIS 98 N 0.03 -0.65 -0.54 1.37 2.76 -0.97 -1.10 115.15 116.04 1rqj h HIS 98 Ca 0.05 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 1rqj h HIS 98 Cb 0.35 0.29 -0.05 0.00 1.55 0.00 0.00 27.41 29.56 1rqj h HIS 98 CO 0.03 -0.33 0.28 0.00 -1.30 0.00 0.00 177.93 176.61 1rqj h ALA 99 N 0.47 0.70 -0.83 5.26 0.00 -0.56 -1.77 119.26 122.53 1rqj h ALA 99 Ca 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1rqj h ALA 99 Cb 0.46 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1rqj h ALA 99 CO -0.22 -0.06 0.37 -0.92 0.00 0.00 0.00 179.25 178.42 1rqj h TYR 100 N 0.54 1.22 -0.80 0.00 3.20 -1.04 -2.26 116.97 117.83 1rqj h TYR 100 Ca 0.24 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1rqj h TYR 100 Cb 0.14 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 1rqj h TYR 100 CO -0.10 0.90 0.41 0.66 -1.64 0.00 0.00 178.16 178.39 1rqj h SER 101 N 1.19 1.02 -0.39 -2.11 4.64 -0.37 -2.29 113.55 115.24 1rqj h SER 101 Ca 0.28 -0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1rqj h SER 101 Cb 0.16 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1rqj h SER 101 CO -0.03 0.84 -0.23 -0.07 -0.87 0.00 0.00 176.83 176.47 1rqj h LEU 102 N 1.13 0.88 -0.65 5.97 3.38 -1.04 -0.65 115.31 124.33 1rqj h LEU 102 Ca 0.28 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1rqj h LEU 102 Cb 0.08 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1rqj h LEU 102 CO -0.04 1.11 0.42 0.40 0.09 0.00 0.00 178.44 180.42 1rqj h ILE 103 N 0.65 1.13 -0.00 1.22 2.04 -1.05 -1.65 117.51 119.84 1rqj h ILE 103 Ca 0.08 -0.29 -0.21 0.00 1.00 0.00 0.00 64.86 65.45 1rqj h ILE 103 Cb 0.80 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1rqj h ILE 103 CO 0.07 0.15 -0.89 0.45 0.00 0.00 0.00 178.15 177.93 1rqj h HIS 104 N 0.83 0.43 -0.52 1.37 3.86 -1.41 -3.22 115.15 116.50 1rqj h HIS 104 Ca 0.25 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1rqj h HIS 104 Cb -0.04 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 1rqj h HIS 104 CO -0.04 1.04 0.27 0.22 0.86 0.00 0.00 177.93 180.28 1rqj h ASP 105 N 0.17 0.64 1.06 2.45 1.82 -0.69 -2.77 116.42 119.09 1rqj h ASP 105 Ca -0.06 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1rqj h ASP 105 Cb 1.52 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.37 1rqj h ASP 105 CO 0.14 0.53 0.00 0.47 -1.61 0.00 0.00 179.24 178.77 1rqj n ASP 106 N -4.39 0.29 -4.72 2.28 10.43 -0.66 -1.17 116.55 118.61 1rqj n ASP 106 Ca 0.04 0.54 -0.39 0.00 2.57 0.00 0.00 54.79 57.55 1rqj n ASP 106 Cb 0.11 -0.61 0.04 0.00 1.84 0.00 0.00 41.12 42.50 1rqj n ASP 106 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1rqj n LEU 107 N -1.78 5.08 -0.34 0.64 4.77 -1.05 -1.51 117.00 122.81 1rqj n LEU 107 Ca 0.06 0.97 0.20 0.00 -0.03 0.00 0.00 56.01 57.21 1rqj n LEU 107 Cb 0.34 -1.54 0.43 0.00 -2.33 0.00 0.00 43.42 40.32 1rqj n LEU 107 CO 0.26 -0.78 1.15 -0.65 -1.33 0.00 0.00 177.39 176.03 1rqj h PRO 108 N 1.36 0.46 0.00 3.23 0.11 -1.91 0.78 132.00 136.03 1rqj h PRO 108 Ca -0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1rqj h PRO 108 Cb 1.31 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1rqj h PRO 108 CO 0.56 0.30 -0.05 0.00 -0.21 0.00 0.00 178.00 178.61 1rqj h ALA 109 N 1.77 0.99 -3.00 -0.75 0.00 -1.94 -3.36 119.26 112.98 1rqj h ALA 109 Ca 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1rqj h ALA 109 Cb 1.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1rqj h ALA 109 CO -0.52 0.06 0.00 -1.33 0.00 0.00 0.00 179.25 177.46 1rqj n MET 110 N -3.14 0.00 0.00 0.00 2.81 0.09 -4.92 117.12 111.95 1rqj n MET 110 Ca 0.01 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.02 1rqj n MET 110 Cb 0.39 0.00 0.15 0.00 -0.71 0.00 0.00 33.22 33.05 1rqj n MET 110 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1rqj n ASP 111 N 0.00 1.24 -3.72 7.83 10.43 -0.32 -4.95 116.55 127.06 1rqj n ASP 111 Ca 0.00 -0.99 -0.32 0.00 2.57 0.00 0.00 54.79 56.05 1rqj n ASP 111 Cb 0.00 0.41 0.04 0.00 1.84 0.00 0.00 41.12 43.40 1rqj n ASP 111 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1rqj n ASP 112 N -0.75 -4.80 -4.64 -2.24 4.64 -0.18 -4.96 116.55 103.62 1rqj n ASP 112 Ca 0.09 -1.02 -0.34 0.00 -1.38 0.00 0.00 54.79 52.13 1rqj n ASP 112 Cb 0.38 -3.30 -0.10 0.00 -1.04 0.00 0.00 41.12 37.06 1rqj n ASP 112 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 1rqj s ASP 113 N -3.56 5.00 0.00 1.67 1.01 -0.57 -4.92 116.67 115.30 1rqj s ASP 113 Ca 0.43 0.07 0.17 0.00 0.71 0.00 0.00 52.55 53.93 1rqj s ASP 113 Cb -0.16 -1.34 -0.05 0.00 1.01 0.00 0.00 42.92 42.38 1rqj s ASP 113 CO 0.87 0.36 0.85 -0.90 0.21 0.00 0.00 175.17 176.56 1rqj n ASP 114 N 2.09 1.48 -4.06 0.27 3.85 -1.26 -4.69 116.55 114.24 1rqj n ASP 114 Ca -0.18 -1.24 -0.23 0.00 -0.71 0.00 0.00 54.79 52.43 1rqj n ASP 114 Cb 0.53 0.60 -0.16 0.00 -1.35 0.00 0.00 41.12 40.74 1rqj n ASP 114 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1rqj s LEU 115 N -2.27 1.80 -0.17 -2.12 1.43 -1.26 -1.86 118.68 114.23 1rqj s LEU 115 Ca 0.12 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 1rqj s LEU 115 Cb 0.14 -0.77 0.05 0.00 0.03 0.00 0.00 46.19 45.63 1rqj s LEU 115 CO 0.49 0.09 0.45 -0.60 0.23 0.00 0.00 176.35 177.01 1rqj s ARG 116 N 0.23 0.51 -1.36 1.70 3.52 0.14 -4.42 118.95 119.25 1rqj s ARG 116 Ca -0.06 0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 56.17 1rqj s ARG 116 Cb -0.11 0.21 0.02 0.00 -1.56 0.00 0.00 34.95 33.51 1rqj s ARG 116 CO 0.02 -0.08 0.23 0.54 -0.81 0.00 0.00 175.30 175.20 1rqj n ARG 117 N 3.07 -2.94 -0.79 5.12 1.74 -0.28 -1.27 116.66 121.32 1rqj n ARG 117 Ca -0.15 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 1rqj n ARG 117 Cb 0.57 -5.42 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 1rqj n ARG 117 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rqj n GLY 118 N -1.08 0.88 3.41 -0.13 0.00 -0.34 -4.87 105.19 103.06 1rqj n GLY 118 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1rqj n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rqj s LEU 119 N 0.00 2.54 0.24 0.99 1.43 -0.39 -5.07 118.68 118.42 1rqj s LEU 119 Ca 0.00 -1.11 -0.31 0.00 -1.03 0.00 0.00 54.13 51.68 1rqj s LEU 119 Cb 0.00 -0.73 -0.13 0.00 0.03 0.00 0.00 46.19 45.35 1rqj s LEU 119 CO 0.00 -0.22 1.45 -2.65 0.23 0.00 0.00 176.35 175.15 1rqj n PRO 120 N -0.53 2.13 -0.78 1.29 -0.02 -1.26 -0.69 135.00 135.15 1rqj n PRO 120 Ca -0.06 0.76 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 1rqj n PRO 120 Cb 0.62 -2.44 0.16 0.00 -0.02 0.00 0.00 33.50 31.82 1rqj n PRO 120 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rqj s THR 121 N 0.02 2.02 0.32 3.45 -4.23 -0.78 -4.62 115.64 111.83 1rqj s THR 121 Ca 0.68 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.26 1rqj s THR 121 Cb -0.63 -2.11 0.30 0.00 1.34 0.00 0.00 72.50 71.41 1rqj s THR 121 CO 0.49 -0.01 1.84 0.00 -0.54 0.00 0.00 174.62 176.39 1rqj h HIS 123 N 0.83 0.00 -0.00 0.00 2.07 -1.89 0.56 115.15 116.72 1rqj h HIS 123 Ca 0.49 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.01 1rqj h HIS 123 Cb 0.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 1rqj h HIS 123 CO -0.00 0.59 -0.01 0.28 -3.07 0.00 0.00 177.93 175.71 1rqj h VAL 124 N 0.00 1.47 -0.35 6.12 2.07 -1.52 -1.68 116.25 122.35 1rqj h VAL 124 Ca -0.01 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1rqj h VAL 124 Cb 1.23 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 1rqj h VAL 124 CO 0.08 0.36 0.01 0.11 0.02 0.00 0.00 177.57 178.15 1rqj h LYS 125 N -0.57 0.60 -0.00 1.57 1.79 -0.98 -3.36 116.57 115.62 1rqj h LYS 125 Ca -0.00 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1rqj h LYS 125 Cb 0.60 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1rqj h LYS 125 CO 0.00 0.71 -0.10 1.19 -1.08 0.00 0.00 179.45 180.17 1rqj n PHE 126 N -4.53 0.00 0.00 -1.35 3.72 0.18 -5.10 117.46 110.39 1rqj n PHE 126 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1rqj n PHE 126 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1rqj n PHE 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rqj n GLY 127 N 0.67 1.00 0.32 1.37 0.00 -0.63 -4.40 105.19 103.52 1rqj n GLY 127 Ca 0.02 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.22 1rqj n GLY 127 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rqj h GLU 128 N 0.00 1.11 -0.34 1.61 5.08 -1.89 -2.07 114.58 118.09 1rqj h GLU 128 Ca 0.00 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1rqj h GLU 128 Cb 0.00 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1rqj h GLU 128 CO 0.00 0.88 0.08 0.00 -1.00 0.00 0.00 179.01 178.97 1rqj h ALA 129 N 1.18 0.44 -0.72 3.43 0.00 -1.93 0.17 119.26 121.83 1rqj h ALA 129 Ca 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1rqj h ALA 129 Cb 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1rqj h ALA 129 CO -0.03 0.11 0.36 -0.91 0.00 0.00 0.00 179.25 178.78 1rqj h ASN 130 N 0.39 0.92 -0.24 0.00 -0.26 -1.74 -1.23 115.58 113.41 1rqj h ASN 130 Ca 0.11 -0.09 -0.08 0.00 -0.56 0.00 0.00 56.30 55.67 1rqj h ASN 130 Cb 0.29 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1rqj h ASN 130 CO 0.00 0.77 -0.17 0.00 -1.06 0.00 0.00 177.43 176.97 1rqj h ALA 131 N 1.37 0.35 -0.03 -0.83 0.00 -0.84 0.80 119.26 120.08 1rqj h ALA 131 Ca 0.25 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1rqj h ALA 131 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rqj h ALA 131 CO -0.03 0.26 -0.02 0.82 0.00 0.00 0.00 179.25 180.28 1rqj h ILE 132 N 0.26 0.93 -0.52 0.00 2.04 -0.49 -1.45 117.51 118.29 1rqj h ILE 132 Ca 0.05 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 1rqj h ILE 132 Cb 0.70 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1rqj h ILE 132 CO 0.05 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 177.99 1rqj h LEU 133 N -0.02 1.01 -0.55 1.44 3.38 -1.19 -1.14 115.31 118.23 1rqj h LEU 133 Ca 0.02 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1rqj h LEU 133 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1rqj h LEU 133 CO -0.04 1.13 0.14 0.00 0.09 0.00 0.00 178.44 179.76 1rqj h ALA 134 N 0.95 0.72 -0.52 1.53 0.00 -0.68 0.69 119.26 121.95 1rqj h ALA 134 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1rqj h ALA 134 Cb 0.70 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1rqj h ALA 134 CO 0.05 0.41 0.27 0.78 0.00 0.00 0.00 179.25 180.76 1rqj h GLY 135 N 0.77 0.78 0.84 0.00 0.00 -1.13 -0.48 103.07 103.85 1rqj h GLY 135 Ca 0.17 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.16 1rqj h GLY 135 CO 0.00 0.35 0.27 -0.55 0.00 0.00 0.00 176.54 176.61 1rqj h ASP 136 N 0.69 0.42 0.70 0.19 3.32 -0.64 -1.54 116.42 119.56 1rqj h ASP 136 Ca 0.18 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 1rqj h ASP 136 Cb 0.08 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1rqj h ASP 136 CO -0.03 0.30 -0.62 0.00 -1.72 0.00 0.00 179.24 177.17 1rqj h ALA 137 N 1.23 0.91 -0.11 3.45 0.00 -0.74 -2.68 119.26 121.31 1rqj h ALA 137 Ca 0.20 -0.56 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 1rqj h ALA 137 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rqj h ALA 137 CO -0.11 0.77 -0.71 -0.07 0.00 0.00 0.00 179.25 179.14 1rqj h LEU 138 N 0.00 0.59 -0.54 0.00 3.38 -0.70 -0.52 115.31 117.52 1rqj h LEU 138 Ca -0.01 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1rqj h LEU 138 Cb 1.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1rqj h LEU 138 CO 0.08 1.12 0.32 -0.61 0.09 0.00 0.00 178.44 179.45 1rqj h GLN 139 N 0.35 0.74 -0.59 1.13 4.15 -1.12 -2.49 115.11 117.27 1rqj h GLN 139 Ca -0.03 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.24 1rqj h GLN 139 Cb 1.29 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 1rqj h GLN 139 CO 0.13 0.54 0.05 1.15 -1.93 0.00 0.00 178.83 178.77 1rqj h THR 140 N 0.73 1.26 -0.61 2.39 2.02 -1.34 -2.64 112.91 114.73 1rqj h THR 140 Ca 0.19 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1rqj h THR 140 Cb -0.01 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1rqj h THR 140 CO -0.04 0.39 0.40 0.25 0.37 0.00 0.00 175.52 176.89 1rqj h LEU 141 N 0.91 0.62 -0.93 2.58 5.85 -0.89 -1.21 115.31 122.24 1rqj h LEU 141 Ca 0.17 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.95 1rqj h LEU 141 Cb 0.48 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1rqj h LEU 141 CO 0.02 0.43 0.59 0.00 -0.34 0.00 0.00 178.44 179.14 1rqj h ALA 142 N 1.64 1.29 0.00 1.25 0.00 -1.06 0.12 119.26 122.51 1rqj h ALA 142 Ca 0.24 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1rqj h ALA 142 Cb 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1rqj h ALA 142 CO -0.06 0.35 -0.97 0.74 0.00 0.00 0.00 179.25 179.31 1rqj h PHE 143 N 1.07 0.00 -0.35 0.00 -1.00 -1.33 -2.10 116.94 113.23 1rqj h PHE 143 Ca 0.41 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.18 1rqj h PHE 143 Cb 0.18 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1rqj h PHE 143 CO -0.02 0.96 0.18 0.77 -1.61 0.00 0.00 178.31 178.59 1rqj h SER 144 N 0.00 0.45 0.32 2.17 0.02 -0.52 -1.26 113.55 114.72 1rqj h SER 144 Ca -0.02 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1rqj h SER 144 Cb 1.74 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 1rqj h SER 144 CO 0.12 0.43 -0.24 0.40 -1.14 0.00 0.00 176.83 176.40 1rqj h ILE 145 N 0.44 0.49 0.00 3.27 2.04 -0.72 0.68 117.51 123.71 1rqj h ILE 145 Ca 0.12 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 1rqj h ILE 145 Cb 0.09 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1rqj h ILE 145 CO -0.02 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 177.80 1rqj h LEU 146 N -0.56 0.00 0.00 1.44 3.38 -1.34 0.16 115.31 118.39 1rqj h LEU 146 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1rqj h LEU 146 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1rqj h LEU 146 CO -0.01 0.26 -0.98 0.77 0.09 0.00 0.00 178.44 178.58 1rqj h SER 147 N 0.00 0.00 0.00 -0.43 4.64 -1.02 -3.41 113.55 113.33 1rqj h SER 147 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1rqj h SER 147 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1rqj h SER 147 CO 0.03 0.54 -1.39 0.47 -0.87 0.00 0.00 176.83 175.61 1rqj n ASP 148 N -3.05 3.41 -4.76 4.97 10.43 0.21 -5.05 116.55 122.71 1rqj n ASP 148 Ca -0.04 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 56.94 1rqj n ASP 148 Cb 0.79 0.92 0.01 0.00 1.84 0.00 0.00 41.12 44.67 1rqj n ASP 148 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1rqj s ALA 149 N -2.29 2.97 0.05 2.24 0.00 0.52 -4.93 121.76 120.33 1rqj s ALA 149 Ca -0.03 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1rqj s ALA 149 Cb 0.03 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1rqj s ALA 149 CO 0.27 -0.88 1.81 0.34 0.00 0.00 0.00 175.76 177.30 1rqj s ASP 150 N -1.15 6.51 -0.46 0.00 2.15 -1.26 -4.93 116.67 117.53 1rqj s ASP 150 Ca 0.65 2.58 0.05 0.00 0.43 0.00 0.00 52.55 56.26 1rqj s ASP 150 Cb -0.33 -2.55 0.19 0.00 -0.30 0.00 0.00 42.92 39.93 1rqj s ASP 150 CO 0.40 -0.98 0.43 0.23 -0.17 0.00 0.00 175.17 175.08 1rqj n MET 151 N 6.57 0.67 -0.32 4.34 2.81 -1.26 -4.76 117.12 125.17 1rqj n MET 151 Ca 0.18 -3.45 0.15 0.00 -1.81 0.00 0.00 57.70 52.77 1rqj n MET 151 Cb 0.40 -1.67 0.30 0.00 -0.71 0.00 0.00 33.22 31.54 1rqj n MET 151 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1rqj h PRO 152 N 5.11 0.09 0.00 0.03 0.11 -1.92 -1.27 132.00 134.14 1rqj h PRO 152 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1rqj h PRO 152 Cb 0.87 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1rqj h PRO 152 CO 0.47 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 1rqj n GLU 153 N -5.36 0.56 -4.06 1.05 1.02 -1.26 -4.85 120.64 107.74 1rqj n GLU 153 Ca 0.23 0.03 -0.33 0.00 -0.02 0.00 0.00 57.16 57.06 1rqj n GLU 153 Cb 0.75 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.51 1rqj n GLU 153 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rqj s VAL 154 N -2.31 2.39 0.82 2.62 1.01 -0.48 -4.95 120.40 119.50 1rqj s VAL 154 Ca 0.30 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 1rqj s VAL 154 Cb 0.17 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.56 1rqj s VAL 154 CO 0.34 0.45 1.11 -0.94 0.00 0.00 0.00 175.10 176.06 1rqj s SER 155 N 1.32 3.98 0.21 3.32 1.04 -1.26 -4.78 113.70 117.53 1rqj s SER 155 Ca 0.04 1.95 -0.09 0.00 0.48 0.00 0.00 55.95 58.32 1rqj s SER 155 Cb -0.14 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.66 1rqj s SER 155 CO -0.10 -2.39 1.85 0.44 0.98 0.00 0.00 173.24 174.02 1rqj h ASP 156 N -1.37 0.74 -0.59 7.02 3.45 -1.98 -0.08 116.42 123.62 1rqj h ASP 156 Ca -0.43 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.09 1rqj h ASP 156 Cb 1.24 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 39.80 1rqj h ASP 156 CO 0.48 0.51 0.30 -0.09 -1.57 0.00 0.00 179.24 178.87 1rqj h ARG 157 N 0.88 0.55 -0.05 3.56 9.65 -1.99 -0.23 114.38 126.76 1rqj h ARG 157 Ca 0.30 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.99 1rqj h ARG 157 Cb 0.04 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1rqj h ARG 157 CO -0.12 0.36 -0.66 -0.44 2.80 0.00 0.00 179.97 181.91 1rqj h ASP 158 N 0.57 0.23 -0.53 -3.80 3.32 -1.73 -1.49 116.42 112.97 1rqj h ASP 158 Ca 0.27 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1rqj h ASP 158 Cb 0.19 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1rqj h ASP 158 CO -0.19 0.82 0.27 -0.09 -1.72 0.00 0.00 179.24 178.34 1rqj h ARG 159 N 0.14 0.76 -0.68 3.56 2.43 -0.67 -1.19 114.38 118.72 1rqj h ARG 159 Ca -0.01 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1rqj h ARG 159 Cb 1.19 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 1rqj h ARG 159 CO 0.10 0.61 0.24 0.82 -1.51 0.00 0.00 179.97 180.23 1rqj h ILE 160 N 0.72 1.25 -0.65 1.20 2.04 -0.88 -1.28 117.51 119.91 1rqj h ILE 160 Ca 0.19 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.26 1rqj h ILE 160 Cb 0.09 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1rqj h ILE 160 CO -0.03 0.32 0.43 0.28 0.00 0.00 0.00 178.15 179.16 1rqj h SER 161 N 0.98 0.64 -0.32 1.72 0.02 -0.94 0.79 113.55 116.45 1rqj h SER 161 Ca 0.22 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.04 1rqj h SER 161 Cb 0.26 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1rqj h SER 161 CO -0.01 0.44 -0.31 0.24 -1.14 0.00 0.00 176.83 176.05 1rqj h MET 162 N 0.74 0.77 -0.39 3.45 2.86 -0.62 -1.71 114.93 120.03 1rqj h MET 162 Ca 0.26 -0.41 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1rqj h MET 162 Cb 0.12 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1rqj h MET 162 CO -0.08 1.03 0.07 0.82 1.06 0.00 0.00 176.91 179.81 1rqj h ILE 163 N 0.54 1.24 -0.40 -1.22 2.04 -0.71 -1.63 117.51 117.38 1rqj h ILE 163 Ca 0.05 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1rqj h ILE 163 Cb 0.89 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1rqj h ILE 163 CO 0.08 0.29 0.22 -1.28 0.00 0.00 0.00 178.15 177.46 1rqj h SER 164 N 0.49 0.35 -0.42 1.72 0.87 -0.83 -0.91 113.55 114.83 1rqj h SER 164 Ca 0.12 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1rqj h SER 164 Cb 0.36 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1rqj h SER 164 CO 0.01 0.26 0.20 -0.08 -0.53 0.00 0.00 176.83 176.68 1rqj h GLU 165 N 0.45 0.60 -0.43 2.24 4.57 -1.17 -0.20 114.58 120.65 1rqj h GLU 165 Ca 0.16 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1rqj h GLU 165 Cb 0.03 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1rqj h GLU 165 CO -0.09 0.52 0.04 1.25 -1.18 0.00 0.00 179.01 179.56 1rqj h LEU 166 N 0.53 0.71 -0.01 1.64 5.85 -1.07 0.40 115.31 123.37 1rqj h LEU 166 Ca 0.14 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1rqj h LEU 166 Cb 0.12 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1rqj h LEU 166 CO -0.02 0.82 0.00 0.00 -0.34 0.00 0.00 178.44 178.90 1rqj h ALA 167 N 0.92 0.01 -0.44 1.25 0.00 -1.02 -1.45 119.26 118.53 1rqj h ALA 167 Ca 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1rqj h ALA 167 Cb 0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rqj h ALA 167 CO 0.01 -0.45 -0.06 0.66 0.00 0.00 0.00 179.25 179.42 1rqj h SER 168 N -0.08 0.74 0.13 0.00 4.64 -0.89 -2.03 113.55 116.06 1rqj h SER 168 Ca 0.00 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 1rqj h SER 168 Cb 0.09 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1rqj h SER 168 CO -0.00 0.85 -0.18 0.00 -0.87 0.00 0.00 176.83 176.62 1rqj h ALA 169 N 1.23 1.56 0.00 5.18 0.00 -0.79 -3.20 119.26 123.24 1rqj h ALA 169 Ca 0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1rqj h ALA 169 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1rqj h ALA 169 CO 0.03 0.32 -1.67 0.43 0.00 0.00 0.00 179.25 178.37 1rqj n SER 170 N -4.27 0.39 -1.11 0.00 7.64 -0.56 -0.07 113.62 115.65 1rqj n SER 170 Ca -0.02 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1rqj n SER 170 Cb 0.28 1.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.60 1rqj n SER 170 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rqj n GLY 171 N 1.32 1.52 0.21 0.23 0.00 -0.80 -1.99 105.19 105.68 1rqj n GLY 171 Ca -0.07 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.27 1rqj n GLY 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rqj h ILE 172 N 0.00 1.05 -0.02 -0.61 6.09 -1.87 -0.14 117.51 122.01 1rqj h ILE 172 Ca 0.00 -0.98 0.00 0.00 -1.37 0.00 0.00 64.86 62.51 1rqj h ILE 172 Cb 0.00 1.55 0.00 0.00 0.47 0.00 0.00 36.82 38.84 1rqj h ILE 172 CO 0.00 0.27 0.00 0.00 -3.07 0.00 0.00 178.15 175.35 1rqj n ALA 173 N -2.42 2.60 -2.12 0.18 0.00 -1.26 -3.30 120.51 114.19 1rqj n ALA 173 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1rqj n ALA 173 Cb 0.34 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1rqj n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqj n GLY 174 N 0.82 3.53 0.18 0.00 0.00 -0.16 -4.86 105.19 104.69 1rqj n GLY 174 Ca 0.14 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 1rqj n GLY 174 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1rqj h MET 175 N 0.00 -0.09 -0.55 1.61 1.85 -0.25 0.31 114.93 117.82 1rqj h MET 175 Ca 0.00 0.01 -0.12 0.00 -0.61 0.00 0.00 59.70 58.98 1rqj h MET 175 Cb 0.00 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.03 1rqj h MET 175 CO 0.00 -0.06 -0.11 0.00 -0.40 0.00 0.00 176.91 176.34 1rqj h GLY 177 N 0.93 0.71 1.05 0.00 0.00 -0.99 -1.92 103.07 102.85 1rqj h GLY 177 Ca 0.14 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1rqj h GLY 177 CO 0.05 0.41 0.14 -1.33 0.00 0.00 0.00 176.54 175.81 1rqj h GLY 178 N 0.92 1.14 1.30 4.60 0.00 -0.42 -1.40 103.07 109.21 1rqj h GLY 178 Ca 0.13 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1rqj h GLY 178 CO 0.01 0.68 0.42 1.46 0.00 0.00 0.00 176.54 179.11 1rqj h GLN 179 N 0.98 0.93 -0.39 4.80 1.08 -0.44 -0.46 115.11 121.61 1rqj h GLN 179 Ca 0.20 -0.08 -0.13 0.00 -1.45 0.00 0.00 58.65 57.20 1rqj h GLN 179 Cb 0.39 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1rqj h GLN 179 CO 0.01 0.65 -0.25 0.00 -0.95 0.00 0.00 178.83 178.28 1rqj h ALA 180 N 1.51 0.55 -0.78 3.87 0.00 -1.06 -1.63 119.26 121.73 1rqj h ALA 180 Ca 0.25 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1rqj h ALA 180 Cb -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1rqj h ALA 180 CO -0.05 0.56 0.28 -0.07 0.00 0.00 0.00 179.25 179.97 1rqj h LEU 181 N 0.66 1.10 -0.20 0.00 3.38 -0.77 -1.29 115.31 118.19 1rqj h LEU 181 Ca 0.08 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1rqj h LEU 181 Cb 0.83 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1rqj h LEU 181 CO 0.07 0.99 0.11 -0.78 0.09 0.00 0.00 178.44 178.92 1rqj h ASP 182 N 1.14 0.26 -0.78 -0.43 3.58 -0.94 -0.06 116.42 119.18 1rqj h ASP 182 Ca 0.25 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 1rqj h ASP 182 Cb 0.26 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 1rqj h ASP 182 CO -0.01 0.28 0.38 -0.07 -2.88 0.00 0.00 179.24 176.93 1rqj h LEU 183 N 0.22 1.01 -1.22 2.28 4.07 -1.12 -2.61 115.31 117.94 1rqj h LEU 183 Ca 0.07 -0.13 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 1rqj h LEU 183 Cb 0.08 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 1rqj h LEU 183 CO -0.01 0.86 -0.38 -0.78 -1.08 0.00 0.00 178.44 177.04 1rqj h ASP 184 N 1.10 0.00 1.07 -0.43 1.82 -0.92 -2.91 116.42 116.15 1rqj h ASP 184 Ca 0.27 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1rqj h ASP 184 Cb 0.11 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.12 1rqj h ASP 184 CO -0.04 0.39 -0.12 0.00 -1.61 0.00 0.00 179.24 177.87 1rqj n ALA 185 N -2.47 2.52 -1.68 -0.78 0.00 -0.06 -4.78 120.51 113.25 1rqj n ALA 185 Ca -0.02 -0.12 -0.49 0.00 0.00 0.00 0.00 53.44 52.81 1rqj n ALA 185 Cb 0.42 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 1rqj n ALA 185 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rqj n GLU 186 N -1.79 1.97 -0.96 0.00 1.02 -1.04 -1.08 120.64 118.76 1rqj n GLU 186 Ca 0.06 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 1rqj n GLU 186 Cb 0.38 -2.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 1rqj n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rqj n GLY 187 N 3.99 0.86 0.00 0.62 0.00 0.42 -4.85 105.19 106.24 1rqj n GLY 187 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1rqj n GLY 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rqj n LYS 188 N -2.06 1.24 -3.72 1.61 5.02 -0.25 -5.01 118.16 115.00 1rqj n LYS 188 Ca 0.00 -0.05 -0.29 0.00 -2.02 0.00 0.00 58.31 55.95 1rqj n LYS 188 Cb 0.00 -1.31 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1rqj n LYS 188 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1rqj n HIS 189 N -1.63 -1.88 -2.24 2.13 8.25 -1.24 -4.86 115.22 113.76 1rqj n HIS 189 Ca 0.01 0.56 -0.36 0.00 -0.26 0.00 0.00 57.72 57.67 1rqj n HIS 189 Cb 0.32 -3.62 0.00 0.00 1.12 0.00 0.00 29.99 27.81 1rqj n HIS 189 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1rqj s VAL 190 N -3.58 3.11 1.10 1.59 -7.23 -1.26 -5.01 120.40 109.12 1rqj s VAL 190 Ca 0.34 0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 61.08 1rqj s VAL 190 Cb -0.12 -3.31 0.24 0.00 0.56 0.00 0.00 36.38 33.75 1rqj s VAL 190 CO 0.86 -0.11 1.09 -2.16 -0.31 0.00 0.00 175.10 174.47 1rqj s PRO 191 N -3.14 -0.38 0.25 4.82 0.04 -1.26 -4.64 135.00 130.69 1rqj s PRO 191 Ca 0.71 0.27 -0.04 0.00 0.04 0.00 0.00 61.00 61.98 1rqj s PRO 191 Cb -0.26 -1.66 0.38 0.00 0.04 0.00 0.00 34.50 33.00 1rqj s PRO 191 CO 0.29 -3.22 1.84 1.25 0.04 0.00 0.00 177.00 177.20 1rqj h LEU 192 N -2.24 0.80 -0.61 -3.56 6.46 -1.98 -0.73 115.31 113.45 1rqj h LEU 192 Ca -0.51 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.21 1rqj h LEU 192 Cb 1.32 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 41.09 1rqj h LEU 192 CO 0.48 0.48 0.13 -2.24 -0.62 0.00 0.00 178.44 176.68 1rqj h ASP 193 N 0.92 0.95 0.17 1.25 -0.00 -1.99 0.95 116.42 118.66 1rqj h ASP 193 Ca 0.40 -0.24 -0.15 0.00 -0.00 0.00 0.00 57.03 57.03 1rqj h ASP 193 Cb 0.27 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 1rqj h ASP 193 CO -0.21 0.95 -0.56 0.00 -0.00 0.00 0.00 179.24 179.42 1rqj h ALA 194 N 1.03 0.78 -0.31 4.15 0.00 -1.80 -2.38 119.26 120.73 1rqj h ALA 194 Ca 0.19 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1rqj h ALA 194 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rqj h ALA 194 CO 0.01 0.70 -0.07 1.25 0.00 0.00 0.00 179.25 181.14 1rqj h LEU 195 N 0.32 0.59 -1.12 0.00 5.85 -0.81 -1.84 115.31 118.30 1rqj h LEU 195 Ca 0.00 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1rqj h LEU 195 Cb 1.09 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1rqj h LEU 195 CO 0.10 0.81 0.60 -0.08 -0.34 0.00 0.00 178.44 179.53 1rqj h GLU 196 N 0.36 1.16 -0.70 1.25 4.81 -0.79 -2.30 114.58 118.38 1rqj h GLU 196 Ca 0.08 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1rqj h GLU 196 Cb 0.55 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1rqj h GLU 196 CO 0.03 0.77 0.14 -0.09 -0.73 0.00 0.00 179.01 179.13 1rqj h ARG 197 N 1.20 1.14 0.22 1.92 2.43 -1.10 -0.89 114.38 119.29 1rqj h ARG 197 Ca 0.34 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1rqj h ARG 197 Cb -0.09 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1rqj h ARG 197 CO -0.08 1.02 -0.25 0.82 -1.51 0.00 0.00 179.97 179.97 1rqj h ILE 198 N 1.07 0.47 -0.39 1.20 2.04 -0.81 -2.59 117.51 118.49 1rqj h ILE 198 Ca 0.22 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.95 1rqj h ILE 198 Cb 0.41 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1rqj h ILE 198 CO 0.01 0.00 -0.27 0.45 0.00 0.00 0.00 178.15 178.34 1rqj h HIS 199 N -0.51 0.95 -0.74 1.37 3.86 -1.11 0.14 115.15 119.12 1rqj h HIS 199 Ca 0.00 -0.24 -0.05 0.00 -1.16 0.00 0.00 60.37 58.92 1rqj h HIS 199 Cb 0.48 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 1rqj h HIS 199 CO -0.18 1.00 0.26 0.00 0.86 0.00 0.00 177.93 179.87 1rqj h ARG 200 N 0.71 1.13 0.15 2.45 3.08 -1.18 -1.20 114.38 119.52 1rqj h ARG 200 Ca 0.09 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1rqj h ARG 200 Cb 0.81 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1rqj h ARG 200 CO 0.07 0.94 -0.07 0.45 -1.07 0.00 0.00 179.97 180.28 1rqj h HIS 201 N 1.09 -0.19 0.00 3.04 3.86 -1.06 0.16 115.15 122.05 1rqj h HIS 201 Ca 0.24 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 1rqj h HIS 201 Cb 0.26 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1rqj h HIS 201 CO 0.02 0.24 -0.20 1.57 0.86 0.00 0.00 177.93 180.42 1rqj h LYS 202 N -0.89 0.00 0.00 2.45 2.10 -0.73 -2.88 116.57 116.62 1rqj h LYS 202 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1rqj h LYS 202 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1rqj h LYS 202 CO 0.03 0.20 -0.41 2.41 -2.00 0.00 0.00 179.45 179.69 1rqj n THR 203 N -3.40 0.00 -0.24 0.07 -1.04 -0.74 -4.72 114.28 104.20 1rqj n THR 203 Ca -0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1rqj n THR 203 Cb 0.40 -0.43 0.13 0.00 -1.82 0.00 0.00 70.33 68.61 1rqj n THR 203 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1rqj h GLY 204 N 0.00 1.15 1.01 3.41 0.00 -0.42 -3.00 103.07 105.21 1rqj h GLY 204 Ca 0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1rqj h GLY 204 CO 0.00 0.57 0.49 0.00 0.00 0.00 0.00 176.54 177.60 1rqj h ALA 205 N 1.27 1.01 0.00 3.60 0.00 -0.79 -0.50 119.26 123.86 1rqj h ALA 205 Ca 0.25 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1rqj h ALA 205 Cb 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1rqj h ALA 205 CO -0.02 0.45 -0.89 1.25 0.00 0.00 0.00 179.25 180.04 1rqj h LEU 206 N 1.08 0.00 -0.40 0.00 5.85 -1.75 -0.19 115.31 119.91 1rqj h LEU 206 Ca 0.29 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.84 1rqj h LEU 206 Cb -0.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1rqj h LEU 206 CO -0.06 0.80 -0.39 0.40 -0.34 0.00 0.00 178.44 178.85 1rqj h ILE 207 N 0.00 1.27 -0.83 4.05 2.04 -1.33 -1.55 117.51 121.16 1rqj h ILE 207 Ca -0.03 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 1rqj h ILE 207 Cb 1.64 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 1rqj h ILE 207 CO 0.10 0.52 0.47 -0.09 0.00 0.00 0.00 178.15 179.15 1rqj h ARG 208 N 0.76 1.15 -0.83 2.37 2.43 -0.91 -2.55 114.38 116.80 1rqj h ARG 208 Ca 0.06 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1rqj h ARG 208 Cb 0.99 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 1rqj h ARG 208 CO 0.10 0.83 0.49 0.00 -1.51 0.00 0.00 179.97 179.88 1rqj h ALA 209 N 1.36 1.05 -0.16 2.80 0.00 -0.73 0.13 119.26 123.71 1rqj h ALA 209 Ca 0.29 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1rqj h ALA 209 Cb 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1rqj h ALA 209 CO -0.05 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1rqj h ALA 210 N 1.27 0.14 -0.17 0.00 0.00 -0.99 0.19 119.26 119.69 1rqj h ALA 210 Ca 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1rqj h ALA 210 Cb -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rqj h ALA 210 CO -0.05 -0.44 0.07 0.28 0.00 0.00 0.00 179.25 179.10 1rqj h VAL 211 N 0.05 1.16 -0.87 0.00 2.07 -1.11 -2.32 116.25 115.22 1rqj h VAL 211 Ca 0.08 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1rqj h VAL 211 Cb 0.09 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1rqj h VAL 211 CO -0.13 0.15 0.54 0.03 0.02 0.00 0.00 177.57 178.18 1rqj h ARG 212 N 0.12 1.17 -0.77 1.57 3.08 -0.58 -1.79 114.38 117.19 1rqj h ARG 212 Ca 0.06 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1rqj h ARG 212 Cb 0.17 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1rqj h ARG 212 CO -0.00 0.81 0.26 -0.07 -1.07 0.00 0.00 179.97 179.89 1rqj h LEU 213 N 1.19 1.10 -0.50 3.04 4.07 -0.45 0.38 115.31 124.15 1rqj h LEU 213 Ca 0.31 -0.20 0.01 0.00 0.08 0.00 0.00 57.88 58.08 1rqj h LEU 213 Cb -0.07 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.35 1rqj h LEU 213 CO -0.06 1.01 0.33 1.23 -1.08 0.00 0.00 178.44 179.86 1rqj h GLY 214 N 1.13 0.70 1.21 0.83 0.00 -1.01 -2.54 103.07 103.39 1rqj h GLY 214 Ca 0.25 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 1rqj h GLY 214 CO -0.01 0.25 -0.29 0.00 0.00 0.00 0.00 176.54 176.50 1rqj h ALA 215 N 1.18 0.71 0.00 3.60 0.00 -0.56 -2.96 119.26 121.24 1rqj h ALA 215 Ca 0.18 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1rqj h ALA 215 Cb -0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1rqj h ALA 215 CO -0.04 0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 179.76 1rqj h LEU 216 N 0.75 0.00 0.00 0.00 3.38 -0.16 -0.48 115.31 118.80 1rqj h LEU 216 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rqj h LEU 216 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1rqj h LEU 216 CO 0.07 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 1rqj n SER 217 N -3.22 0.00 -0.33 -0.43 3.41 -0.97 -3.94 113.62 108.14 1rqj n SER 217 Ca -0.01 0.17 0.08 0.00 -0.26 0.00 0.00 58.87 58.85 1rqj n SER 217 Cb 0.24 -0.35 0.17 0.00 -0.26 0.00 0.00 64.21 64.01 1rqj n SER 217 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rqj n ALA 218 N -1.35 2.92 -0.97 7.33 0.00 -0.19 -4.78 120.51 123.47 1rqj n ALA 218 Ca 0.07 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.58 1rqj n ALA 218 Cb 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1rqj n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqj n GLY 219 N -1.27 2.07 0.33 0.00 0.00 -1.25 -2.48 105.19 102.58 1rqj n GLY 219 Ca 0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 1rqj n GLY 219 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rqj h ASP 220 N 9.52 0.92 -0.36 1.61 3.32 -1.96 -2.12 116.42 127.35 1rqj h ASP 220 Ca 0.00 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1rqj h ASP 220 Cb 0.00 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1rqj h ASP 220 CO 0.00 0.62 -0.27 0.50 -1.72 0.00 0.00 179.24 178.37 1rqj h LYS 221 N 1.07 0.88 -0.33 3.56 3.64 -1.93 0.76 116.57 124.21 1rqj h LYS 221 Ca 0.36 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1rqj h LYS 221 Cb 0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1rqj h LYS 221 CO -0.13 1.04 0.00 0.78 -2.27 0.00 0.00 179.45 178.87 1rqj h GLY 222 N 0.90 0.63 1.71 5.01 0.00 -1.37 -2.62 103.07 107.34 1rqj h GLY 222 Ca 0.09 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1rqj h GLY 222 CO 0.07 0.43 -0.12 3.21 0.00 0.00 0.00 176.54 180.12 1rqj h ARG 223 N 0.39 0.35 -0.35 4.80 3.08 -1.20 -2.46 114.38 119.00 1rqj h ARG 223 Ca 0.09 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1rqj h ARG 223 Cb 0.44 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1rqj h ARG 223 CO 0.02 0.49 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.28 1rqj h ARG 224 N 0.33 0.56 0.00 0.04 2.43 -0.67 -2.58 114.38 114.49 1rqj h ARG 224 Ca 0.07 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1rqj h ARG 224 Cb 0.43 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1rqj h ARG 224 CO 0.02 0.61 -0.01 0.00 -1.51 0.00 0.00 179.97 179.08 1rqj n ALA 225 N -2.48 2.36 -0.15 2.80 0.00 -0.96 -4.40 120.51 117.68 1rqj n ALA 225 Ca 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 1rqj n ALA 225 Cb 0.27 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.31 1rqj n ALA 225 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rqj h LEU 226 N 0.00 0.31 -0.59 0.00 3.38 -1.11 -0.23 115.31 117.06 1rqj h LEU 226 Ca 0.00 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1rqj h LEU 226 Cb 0.52 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1rqj h LEU 226 CO 0.00 0.22 0.20 -0.65 0.09 0.00 0.00 178.44 178.29 1rqj h PRO 227 N 0.44 0.35 -0.09 1.13 0.11 -1.79 0.25 132.00 132.40 1rqj h PRO 227 Ca 0.21 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 66.06 1rqj h PRO 227 Cb 0.14 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.19 1rqj h PRO 227 CO -0.16 0.23 -0.89 0.28 -0.21 0.00 0.00 178.00 177.25 1rqj h VAL 228 N 0.36 1.27 -0.35 3.15 2.07 -1.79 -3.00 116.25 117.96 1rqj h VAL 228 Ca 0.30 -2.08 -0.06 0.00 0.82 0.00 0.00 66.70 65.69 1rqj h VAL 228 Cb 0.39 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1rqj h VAL 228 CO -0.32 0.65 -0.02 -0.07 0.02 0.00 0.00 177.57 177.83 1rqj h LEU 229 N 0.49 0.53 -0.62 2.57 3.38 -0.72 -1.52 115.31 119.42 1rqj h LEU 229 Ca -0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rqj h LEU 229 Cb 1.53 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 1rqj h LEU 229 CO 0.18 0.61 0.41 0.44 0.09 0.00 0.00 178.44 180.17 1rqj h ASP 230 N 0.53 0.72 -0.41 -0.43 3.32 -0.52 0.11 116.42 119.74 1rqj h ASP 230 Ca 0.11 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1rqj h ASP 230 Cb 0.38 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1rqj h ASP 230 CO 0.01 0.53 -0.35 0.11 -1.72 0.00 0.00 179.24 177.82 1rqj h LYS 231 N 0.84 0.96 -0.08 3.56 1.79 -1.29 0.45 116.57 122.80 1rqj h LYS 231 Ca 0.23 -0.48 0.04 0.00 -2.18 0.00 0.00 60.65 58.25 1rqj h LYS 231 Cb -0.09 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.52 1rqj h LYS 231 CO -0.05 1.15 -0.20 -0.92 -1.08 0.00 0.00 179.45 178.35 1rqj h TYR 232 N 0.79 -0.51 -0.58 -1.35 3.20 -1.12 -2.18 116.97 115.23 1rqj h TYR 232 Ca 0.07 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 1rqj h TYR 232 Cb 0.94 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 1rqj h TYR 232 CO 0.06 -0.27 0.17 0.00 -1.64 0.00 0.00 178.16 176.48 1rqj h ALA 233 N 0.69 1.21 -0.57 1.82 0.00 -0.49 -1.78 119.26 120.14 1rqj h ALA 233 Ca 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1rqj h ALA 233 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1rqj h ALA 233 CO -0.24 0.55 0.18 0.93 0.00 0.00 0.00 179.25 180.68 1rqj h GLU 234 N 0.85 0.88 -0.09 0.00 5.08 -0.62 0.15 114.58 120.82 1rqj h GLU 234 Ca 0.19 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1rqj h GLU 234 Cb 0.26 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1rqj h GLU 234 CO -0.01 0.79 -0.40 0.77 -1.00 0.00 0.00 179.01 179.16 1rqj h SER 235 N 0.79 0.52 0.46 1.42 0.02 -1.06 -2.44 113.55 113.26 1rqj h SER 235 Ca 0.18 -0.64 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 1rqj h SER 235 Cb 0.27 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1rqj h SER 235 CO -0.01 1.07 -0.46 0.16 -1.14 0.00 0.00 176.83 176.45 1rqj h ILE 236 N -0.00 1.33 -0.21 3.27 3.07 -1.32 -0.94 117.51 122.71 1rqj h ILE 236 Ca -0.02 -1.60 -0.04 0.00 1.55 0.00 0.00 64.86 64.75 1rqj h ILE 236 Cb 1.05 1.86 -0.01 0.00 -0.27 0.00 0.00 36.82 39.45 1rqj h ILE 236 CO 0.08 0.46 -0.04 1.23 -1.05 0.00 0.00 178.15 178.83 1rqj h GLY 237 N 1.39 0.44 0.87 0.16 0.00 -0.96 0.02 103.07 104.99 1rqj h GLY 237 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1rqj h GLY 237 CO 0.06 0.32 0.04 -2.00 0.00 0.00 0.00 176.54 174.96 1rqj h LEU 238 N 0.14 0.42 -1.48 3.11 5.85 -1.39 -2.97 115.31 119.00 1rqj h LEU 238 Ca 0.06 -0.26 0.12 0.00 0.84 0.00 0.00 57.88 58.63 1rqj h LEU 238 Cb 0.47 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1rqj h LEU 238 CO 0.02 0.58 0.50 0.00 -0.34 0.00 0.00 178.44 179.20 1rqj h ALA 239 N 0.86 1.94 -0.45 1.25 0.00 -1.05 -1.66 119.26 120.15 1rqj h ALA 239 Ca 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1rqj h ALA 239 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1rqj h ALA 239 CO 0.01 -0.12 0.16 0.35 0.00 0.00 0.00 179.25 179.65 1rqj h PHE 240 N 0.56 0.71 0.00 0.00 3.57 -0.82 -0.88 116.94 120.07 1rqj h PHE 240 Ca 0.36 -0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.61 1rqj h PHE 240 Cb 0.63 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1rqj h PHE 240 CO -0.00 0.62 -0.83 0.37 -2.23 0.00 0.00 178.31 176.24 1rqj h GLN 241 N 0.59 0.09 -0.28 1.11 5.75 -1.34 -0.84 115.11 120.19 1rqj h GLN 241 Ca 0.15 -0.10 -0.11 0.00 -0.15 0.00 0.00 58.65 58.44 1rqj h GLN 241 Cb 0.23 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1rqj h GLN 241 CO -0.01 0.87 -0.28 -0.24 -2.65 0.00 0.00 178.83 176.52 1rqj h VAL 242 N 0.05 1.27 -0.53 2.39 3.04 -0.99 -0.37 116.25 121.12 1rqj h VAL 242 Ca -0.02 -1.35 -0.09 0.00 -1.01 0.00 0.00 66.70 64.23 1rqj h VAL 242 Cb 1.45 1.36 -0.02 0.00 -2.01 0.00 0.00 31.29 32.08 1rqj h VAL 242 CO 0.12 0.43 -0.02 -0.61 -1.01 0.00 0.00 177.57 176.48 1rqj h GLN 243 N 0.49 0.95 -0.85 4.17 5.75 -1.07 0.09 115.11 124.64 1rqj h GLN 243 Ca 0.07 -0.31 0.04 0.00 -0.15 0.00 0.00 58.65 58.29 1rqj h GLN 243 Cb 0.73 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.15 1rqj h GLN 243 CO 0.06 0.97 0.54 0.22 -2.65 0.00 0.00 178.83 177.97 1rqj h ASP 244 N 0.82 0.89 -0.37 -0.69 3.58 -0.83 0.78 116.42 120.60 1rqj h ASP 244 Ca 0.15 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 1rqj h ASP 244 Cb 0.56 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1rqj h ASP 244 CO 0.03 0.60 0.10 0.44 -2.88 0.00 0.00 179.24 177.54 1rqj h ASP 245 N 1.04 0.55 -0.55 2.28 3.32 -0.41 -2.02 116.42 120.63 1rqj h ASP 245 Ca 0.34 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1rqj h ASP 245 Cb 0.04 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1rqj h ASP 245 CO -0.13 0.62 0.36 0.40 -1.72 0.00 0.00 179.24 178.78 1rqj h ILE 246 N 0.45 1.14 -0.07 0.35 2.04 -0.65 -2.62 117.51 118.15 1rqj h ILE 246 Ca 0.12 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 1rqj h ILE 246 Cb 0.28 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1rqj h ILE 246 CO -0.00 0.13 -0.33 -0.07 0.00 0.00 0.00 178.15 177.89 1rqj h LEU 247 N 0.74 0.14 -1.26 1.44 3.38 -0.74 -1.48 115.31 117.52 1rqj h LEU 247 Ca 0.20 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1rqj h LEU 247 Cb -0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1rqj h LEU 247 CO -0.05 0.46 0.51 -0.78 0.09 0.00 0.00 178.44 178.67 1rqj h ASP 248 N 0.12 0.84 0.10 -0.43 1.82 -0.98 0.91 116.42 118.80 1rqj h ASP 248 Ca 0.02 -0.01 -0.25 0.00 -0.39 0.00 0.00 57.03 56.39 1rqj h ASP 248 Cb 0.64 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 1rqj h ASP 248 CO 0.05 0.59 -1.30 1.62 -1.61 0.00 0.00 179.24 178.59 1rqj h VAL 249 N 0.98 1.09 0.00 2.25 3.04 -1.29 0.27 116.25 122.60 1rqj h VAL 249 Ca 0.30 -2.39 0.00 0.00 -1.01 0.00 0.00 66.70 63.59 1rqj h VAL 249 Cb -0.02 2.75 0.00 0.00 -2.01 0.00 0.00 31.29 32.00 1rqj h VAL 249 CO -0.08 0.68 -1.70 1.33 -1.01 0.00 0.00 177.57 176.79 1rqj n VAL 250 N -4.00 0.15 -1.46 1.51 0.24 -0.62 -4.72 118.33 109.44 1rqj n VAL 250 Ca -0.24 -0.48 -0.31 0.00 -2.04 0.00 0.00 64.34 61.27 1rqj n VAL 250 Cb 0.86 -0.04 0.07 0.00 -1.47 0.00 0.00 33.84 33.27 1rqj n VAL 250 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rqj s GLY 251 N -4.40 1.66 -0.08 7.63 0.00 0.31 -5.04 107.32 107.40 1rqj s GLY 251 Ca -0.05 0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.61 1rqj s GLY 251 CO 0.88 0.43 0.38 -0.35 0.00 0.00 0.00 173.10 174.44 1rqj s ASP 252 N -3.67 6.66 0.27 1.64 2.15 -1.26 -4.72 116.67 117.74 1rqj s ASP 252 Ca 0.60 0.78 -0.01 0.00 0.43 0.00 0.00 52.55 54.35 1rqj s ASP 252 Cb -0.15 -2.23 0.61 0.00 -0.30 0.00 0.00 42.92 40.85 1rqj s ASP 252 CO 0.55 0.18 1.67 0.74 -0.17 0.00 0.00 175.17 178.15 1rqj h THR 253 N 4.25 0.42 -0.34 1.71 2.02 -1.95 -0.95 112.91 118.07 1rqj h THR 253 Ca -0.46 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1rqj h THR 253 Cb 1.19 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1rqj h THR 253 CO 0.69 0.05 0.18 0.00 0.37 0.00 0.00 175.52 176.80 1rqj h ALA 254 N 1.70 1.67 0.04 6.16 0.00 -1.94 -1.38 119.26 125.51 1rqj h ALA 254 Ca 0.50 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.24 1rqj h ALA 254 Cb 0.94 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1rqj h ALA 254 CO -0.58 0.27 -0.54 1.15 0.00 0.00 0.00 179.25 179.56 1rqj h THR 255 N 0.47 1.49 -0.26 0.00 2.02 -1.60 -3.37 112.91 111.67 1rqj h THR 255 Ca 0.12 -2.35 -0.02 0.00 0.77 0.00 0.00 66.41 64.93 1rqj h THR 255 Cb 0.03 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1rqj h THR 255 CO -0.02 0.58 0.07 -0.07 0.37 0.00 0.00 175.52 176.45 1rqj h LEU 256 N -0.82 0.33 0.00 2.58 3.38 -1.16 -3.44 115.31 116.18 1rqj h LEU 256 Ca -0.13 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1rqj h LEU 256 Cb 1.25 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1rqj h LEU 256 CO -0.01 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1rqj n GLY 257 N -1.23 0.94 3.24 0.83 0.00 -0.53 -4.57 105.19 103.87 1rqj n GLY 257 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1rqj n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rqj s LYS 258 N -0.01 0.95 -0.12 1.61 -2.85 -1.24 -1.12 119.74 116.96 1rqj s LYS 258 Ca 0.00 -1.11 -0.29 0.00 -1.00 0.00 0.00 55.97 53.56 1rqj s LYS 258 Cb 0.00 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 1rqj s LYS 258 CO 0.00 -0.31 1.58 1.03 0.10 0.00 0.00 175.35 177.75 1rqj s ARG 259 N -3.93 4.08 0.31 1.78 0.52 -1.26 -4.38 118.95 116.07 1rqj s ARG 259 Ca 0.12 1.96 -0.28 0.00 -0.52 0.00 0.00 55.73 57.01 1rqj s ARG 259 Cb 0.05 -3.96 -0.13 0.00 0.52 0.00 0.00 34.95 31.42 1rqj s ARG 259 CO -0.05 -0.94 1.12 0.94 0.02 0.00 0.00 175.30 176.38 1rqj n GLN 260 N 7.18 1.64 -0.78 3.54 0.00 -1.26 -3.01 117.38 124.70 1rqj n GLN 260 Ca 0.17 0.58 0.00 0.00 -0.00 0.00 0.00 57.00 57.75 1rqj n GLN 260 Cb 0.44 -2.03 0.00 0.00 0.00 0.00 0.00 30.24 28.65 1rqj n GLN 260 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rqj n GLY 261 N 1.07 0.79 0.29 1.69 0.00 0.95 -4.93 105.19 105.05 1rqj n GLY 261 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 1rqj n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqj h ALA 262 N 0.00 1.40 -0.38 4.61 0.00 -1.77 -2.28 119.26 120.83 1rqj h ALA 262 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1rqj h ALA 262 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1rqj h ALA 262 CO 0.00 0.44 -0.21 -0.44 0.00 0.00 0.00 179.25 179.04 1rqj h ASP 263 N 0.62 0.84 -0.52 0.00 3.32 -1.90 -2.85 116.42 115.92 1rqj h ASP 263 Ca 0.14 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 1rqj h ASP 263 Cb 0.22 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1rqj h ASP 263 CO -0.00 1.07 0.15 1.56 -1.72 0.00 0.00 179.24 180.30 1rqj h GLN 264 N 0.61 0.82 -0.69 3.56 4.20 -1.84 0.08 115.11 121.86 1rqj h GLN 264 Ca 0.08 -0.18 0.15 0.00 0.06 0.00 0.00 58.65 58.75 1rqj h GLN 264 Cb 0.77 -0.11 -0.12 0.00 0.30 0.00 0.00 27.48 28.31 1rqj h GLN 264 CO 0.06 0.77 -0.06 0.37 -0.67 0.00 0.00 178.83 179.30 1rqj h GLN 265 N 0.72 0.07 -0.01 1.46 5.75 -1.37 -2.71 115.11 119.02 1rqj h GLN 265 Ca 0.17 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1rqj h GLN 265 Cb 0.30 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.83 1rqj h GLN 265 CO -0.00 0.04 -0.38 1.28 -2.65 0.00 0.00 178.83 177.12 1rqj n LEU 266 N -5.37 1.03 -2.46 -2.39 4.77 -1.08 -4.97 117.00 106.53 1rqj n LEU 266 Ca 0.11 -0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 55.65 1rqj n LEU 266 Cb 0.40 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1rqj n LEU 266 CO 0.06 0.20 0.12 0.61 -1.33 0.00 0.00 177.39 177.05 1rqj n GLY 267 N 1.40 -0.07 3.77 -0.72 0.00 -0.13 -4.35 105.19 105.08 1rqj n GLY 267 Ca 0.10 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1rqj n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rqj s LYS 268 N -5.74 3.98 -0.12 1.61 -0.14 -0.35 -0.44 119.74 118.54 1rqj s LYS 268 Ca 0.35 2.31 -0.29 0.00 -1.36 0.00 0.00 55.97 56.97 1rqj s LYS 268 Cb -0.15 -2.82 -0.03 0.00 -1.68 0.00 0.00 37.83 33.15 1rqj s LYS 268 CO 0.43 -0.54 1.42 -1.12 -0.76 0.00 0.00 175.35 174.79 1rqj s SER 269 N -0.53 6.83 0.10 2.83 0.01 -1.26 -4.86 113.70 116.82 1rqj s SER 269 Ca 0.56 1.92 -0.02 0.00 1.31 0.00 0.00 55.95 59.72 1rqj s SER 269 Cb -0.41 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.25 1rqj s SER 269 CO 0.54 -0.83 0.06 0.42 0.41 0.00 0.00 173.24 173.85 1rqj s THR 270 N 3.69 0.14 0.08 1.44 -4.23 -1.26 -5.03 115.64 110.46 1rqj s THR 270 Ca 0.62 -1.76 -0.24 0.00 -1.18 0.00 0.00 61.69 59.13 1rqj s THR 270 Cb -0.27 -1.79 -0.16 0.00 1.34 0.00 0.00 72.50 71.63 1rqj s THR 270 CO 0.21 -0.64 1.67 1.88 -0.54 0.00 0.00 174.62 177.20 1rqj h TYR 271 N 2.92 -0.10 -0.46 3.99 0.05 -1.93 -2.07 116.97 119.38 1rqj h TYR 271 Ca -0.34 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.40 1rqj h TYR 271 Cb 1.18 0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.93 1rqj h TYR 271 CO 0.46 -0.01 0.15 -1.35 -1.05 0.00 0.00 178.16 176.36 1rqj h PRO 272 N -0.16 0.67 -0.40 4.88 0.11 -1.89 0.75 132.00 135.96 1rqj h PRO 272 Ca -0.01 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 1rqj h PRO 272 Cb 0.13 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1rqj h PRO 272 CO 0.02 0.59 0.10 0.00 -0.21 0.00 0.00 178.00 178.49 1rqj h ALA 273 N 1.50 0.53 0.00 -0.75 0.00 -1.84 0.71 119.26 119.41 1rqj h ALA 273 Ca 0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1rqj h ALA 273 Cb 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rqj h ALA 273 CO -0.01 0.21 -0.17 1.25 0.00 0.00 0.00 179.25 180.53 1rqj h LEU 274 N 0.51 0.15 -0.17 0.00 5.85 -1.23 -3.39 115.31 117.04 1rqj h LEU 274 Ca 0.13 -0.79 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1rqj h LEU 274 Cb 0.31 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1rqj h LEU 274 CO 0.00 0.92 -0.75 0.18 -0.34 0.00 0.00 178.44 178.45 1rqj n LEU 275 N -4.57 1.01 -0.25 2.25 4.77 0.24 -5.09 117.00 115.37 1rqj n LEU 275 Ca -0.10 -0.55 0.03 0.00 -0.03 0.00 0.00 56.01 55.37 1rqj n LEU 275 Cb 0.47 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1rqj n LEU 275 CO 0.37 0.23 -0.09 0.61 -1.33 0.00 0.00 177.39 177.18 1rqj n GLY 276 N 1.39 -2.36 0.27 -0.72 0.00 0.24 -4.23 105.19 99.78 1rqj n GLY 276 Ca 0.04 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 1rqj n GLY 276 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rqj h LEU 277 N -0.24 0.90 -0.24 0.99 3.38 -1.90 -1.96 115.31 116.25 1rqj h LEU 277 Ca -0.02 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 1rqj h LEU 277 Cb 0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1rqj h LEU 277 CO 0.01 0.97 -0.23 -0.08 0.09 0.00 0.00 178.44 179.20 1rqj h GLU 278 N 0.80 0.58 -0.24 1.13 4.57 -1.96 -0.27 114.58 119.19 1rqj h GLU 278 Ca 0.16 -0.30 -0.10 0.00 -1.18 0.00 0.00 59.36 57.94 1rqj h GLU 278 Cb 0.49 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1rqj h GLU 278 CO 0.02 0.89 -0.26 1.96 -1.18 0.00 0.00 179.01 180.44 1rqj h GLN 279 N 0.28 0.47 -0.44 1.92 4.20 -1.73 -1.22 115.11 118.59 1rqj h GLN 279 Ca 0.04 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1rqj h GLN 279 Cb 0.79 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1rqj h GLN 279 CO 0.06 0.69 0.20 0.00 -0.67 0.00 0.00 178.83 179.11 1rqj h ALA 280 N 1.31 0.56 -0.85 3.87 0.00 -1.11 0.36 119.26 123.41 1rqj h ALA 280 Ca 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1rqj h ALA 280 Cb 0.68 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1rqj h ALA 280 CO 0.05 0.14 0.46 0.00 0.00 0.00 0.00 179.25 179.89 1rqj h ARG 281 N 0.56 1.19 -0.51 0.00 3.08 -0.78 -1.80 114.38 116.11 1rqj h ARG 281 Ca 0.15 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1rqj h ARG 281 Cb 0.14 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1rqj h ARG 281 CO -0.02 0.88 -0.10 -0.22 -1.07 0.00 0.00 179.97 179.44 1rqj h LYS 282 N 1.18 0.94 -0.55 0.04 1.63 -0.93 -0.84 116.57 118.05 1rqj h LYS 282 Ca 0.30 -0.33 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1rqj h LYS 282 Cb 0.04 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 1rqj h LYS 282 CO -0.05 0.99 0.28 0.87 -3.45 0.00 0.00 179.45 178.09 1rqj h LYS 283 N 0.84 0.77 -0.38 1.90 1.79 -0.56 -0.11 116.57 120.83 1rqj h LYS 283 Ca 0.14 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1rqj h LYS 283 Cb 0.63 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1rqj h LYS 283 CO 0.04 0.62 0.17 0.00 -1.08 0.00 0.00 179.45 179.21 1rqj h ALA 284 N 1.11 0.49 -0.30 3.86 0.00 -1.04 -1.77 119.26 121.62 1rqj h ALA 284 Ca 0.19 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1rqj h ALA 284 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1rqj h ALA 284 CO -0.03 0.06 -0.25 -0.09 0.00 0.00 0.00 179.25 178.94 1rqj h ARG 285 N 0.47 0.60 -1.00 0.00 2.43 -0.90 -1.36 114.38 114.62 1rqj h ARG 285 Ca 0.13 -0.24 0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1rqj h ARG 285 Cb 0.14 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.59 1rqj h ARG 285 CO -0.01 0.79 0.64 -0.44 -1.51 0.00 0.00 179.97 179.44 1rqj h ASP 286 N 0.52 1.01 -0.21 -3.80 3.45 -0.75 0.53 116.42 117.17 1rqj h ASP 286 Ca 0.07 0.02 -0.17 0.00 0.43 0.00 0.00 57.03 57.38 1rqj h ASP 286 Cb 0.71 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1rqj h ASP 286 CO 0.05 0.63 -0.52 -0.07 -1.57 0.00 0.00 179.24 177.76 1rqj h LEU 287 N 1.14 0.82 -0.77 1.55 3.38 -0.52 -1.80 115.31 119.11 1rqj h LEU 287 Ca 0.44 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1rqj h LEU 287 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1rqj h LEU 287 CO -0.19 1.24 -0.02 0.40 0.09 0.00 0.00 178.44 179.96 1rqj h ILE 288 N 0.44 1.26 -0.67 1.22 1.08 -1.03 0.41 117.51 120.22 1rqj h ILE 288 Ca -0.00 -1.10 0.06 0.00 -0.39 0.00 0.00 64.86 63.43 1rqj h ILE 288 Cb 1.13 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 35.69 1rqj h ILE 288 CO 0.11 0.39 0.37 0.44 -0.69 0.00 0.00 178.15 178.78 1rqj h ASP 289 N 0.84 0.55 -0.45 1.72 3.45 -0.74 -0.18 116.42 121.61 1rqj h ASP 289 Ca 0.15 0.03 -0.10 0.00 0.43 0.00 0.00 57.03 57.55 1rqj h ASP 289 Cb 0.52 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 1rqj h ASP 289 CO 0.03 0.35 -0.09 -0.78 -1.57 0.00 0.00 179.24 177.18 1rqj h ASP 290 N 0.68 0.87 -0.71 6.45 3.58 -0.88 -2.06 116.42 124.35 1rqj h ASP 290 Ca 0.30 -0.35 0.08 0.00 0.42 0.00 0.00 57.03 57.48 1rqj h ASP 290 Cb 0.20 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 1rqj h ASP 290 CO -0.19 1.02 0.38 0.00 -2.88 0.00 0.00 179.24 177.57 1rqj h ALA 291 N 0.88 0.97 -0.48 -0.78 0.00 -0.33 -1.55 119.26 117.97 1rqj h ALA 291 Ca 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1rqj h ALA 291 Cb 0.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1rqj h ALA 291 CO 0.04 0.03 0.09 0.00 0.00 0.00 0.00 179.25 179.41 1rqj h ARG 292 N 0.68 0.74 -0.55 0.00 3.08 -0.80 -0.30 114.38 117.24 1rqj h ARG 292 Ca 0.33 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1rqj h ARG 292 Cb 0.27 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1rqj h ARG 292 CO -0.22 0.70 0.18 1.96 -1.07 0.00 0.00 179.97 181.52 1rqj h GLN 293 N 0.71 0.84 -0.85 0.04 1.08 -0.69 -1.46 115.11 114.78 1rqj h GLN 293 Ca 0.16 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1rqj h GLN 293 Cb 0.31 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 1rqj h GLN 293 CO 0.00 0.76 0.49 0.77 -0.95 0.00 0.00 178.83 179.91 1rqj h SER 294 N 0.75 1.04 -0.44 1.46 0.02 -0.85 -2.59 113.55 112.94 1rqj h SER 294 Ca 0.18 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1rqj h SER 294 Cb 0.26 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1rqj h SER 294 CO -0.01 0.82 0.11 -0.07 -1.14 0.00 0.00 176.83 176.54 1rqj h LEU 295 N 1.18 0.72 -0.89 5.07 3.38 -0.76 -2.37 115.31 121.63 1rqj h LEU 295 Ca 0.30 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1rqj h LEU 295 Cb -0.01 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 1rqj h LEU 295 CO -0.05 0.72 0.56 0.50 0.09 0.00 0.00 178.44 180.25 1rqj h LYS 296 N 0.74 0.96 0.00 1.13 3.64 -0.88 -0.81 116.57 121.35 1rqj h LYS 296 Ca 0.16 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1rqj h LYS 296 Cb 0.30 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1rqj h LYS 296 CO 0.00 0.64 -0.26 1.96 -2.27 0.00 0.00 179.45 179.51 1rqj h GLN 297 N 0.99 0.00 -0.06 1.90 4.20 -1.25 -2.94 115.11 117.94 1rqj h GLN 297 Ca 0.40 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.89 1rqj h GLN 297 Cb 0.22 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.01 1rqj h GLN 297 CO -0.19 0.26 -0.86 -0.07 -0.67 0.00 0.00 178.83 177.30 1rqj h LEU 298 N 0.00 0.70 -1.38 1.46 3.38 -1.00 -2.83 115.31 115.64 1rqj h LEU 298 Ca -0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1rqj h LEU 298 Cb 0.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1rqj h LEU 298 CO 0.03 1.29 0.00 0.00 0.09 0.00 0.00 178.44 179.85 1rqj n ALA 299 N -2.57 2.16 0.12 1.53 0.00 -0.82 -0.81 120.51 120.13 1rqj n ALA 299 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1rqj n ALA 299 Cb 0.79 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 1rqj n ALA 299 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rqj n GLU 300 N 0.32 5.92 -0.71 0.00 2.13 -1.07 -4.45 120.64 122.79 1rqj n GLU 300 Ca 0.00 -0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 1rqj n GLU 300 Cb 0.26 -0.64 0.32 0.00 0.27 0.00 0.00 31.44 31.65 1rqj n GLU 300 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1rqj n GLN 301 N -1.08 4.08 -3.43 5.31 6.02 0.01 -4.95 117.38 123.34 1rqj n GLN 301 Ca 0.00 -2.48 -0.20 0.00 -0.01 0.00 0.00 57.00 54.32 1rqj n GLN 301 Cb 0.04 -2.11 0.07 0.00 1.02 0.00 0.00 30.24 29.27 1rqj n GLN 301 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1rqj n SER 302 N 0.49 -4.81 -4.54 1.08 2.88 -1.19 -5.02 113.62 102.52 1rqj n SER 302 Ca 0.22 -0.50 -0.32 0.00 -1.33 0.00 0.00 58.87 56.93 1rqj n SER 302 Cb 1.00 -4.59 -0.12 0.00 -0.75 0.00 0.00 64.21 59.75 1rqj n SER 302 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1rqj s LEU 303 N -6.44 2.94 -0.75 2.46 1.43 -1.06 -5.00 118.68 112.26 1rqj s LEU 303 Ca 0.37 -0.21 -0.25 0.00 -1.03 0.00 0.00 54.13 53.02 1rqj s LEU 303 Cb -0.16 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.43 1rqj s LEU 303 CO 0.65 0.30 1.19 -0.62 0.23 0.00 0.00 176.35 178.10 1rqj s ASP 304 N -1.22 6.22 0.00 2.29 -1.08 -1.26 -4.01 116.67 117.61 1rqj s ASP 304 Ca 0.15 -0.78 0.12 0.00 -0.52 0.00 0.00 52.55 51.51 1rqj s ASP 304 Cb -0.11 -2.51 0.38 0.00 -1.46 0.00 0.00 42.92 39.22 1rqj s ASP 304 CO 0.05 -1.65 1.30 0.35 0.52 0.00 0.00 175.17 175.74 1rqj n THR 305 N 6.24 0.39 -0.15 1.71 -2.24 -1.26 -4.59 114.28 114.38 1rqj n THR 305 Ca 0.04 -0.42 -0.04 0.00 -2.27 0.00 0.00 64.05 61.37 1rqj n THR 305 Cb 0.48 0.24 0.05 0.00 -2.10 0.00 0.00 70.33 69.00 1rqj n THR 305 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1rqj h SER 306 N 1.94 0.24 -0.69 3.42 4.64 -1.99 0.38 113.55 121.49 1rqj h SER 306 Ca 0.00 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1rqj h SER 306 Cb 0.44 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1rqj h SER 306 CO 0.00 0.17 0.20 0.00 -0.87 0.00 0.00 176.83 176.34 1rqj h ALA 307 N 1.29 0.91 0.00 5.18 0.00 -1.95 -1.47 119.26 123.23 1rqj h ALA 307 Ca 0.22 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1rqj h ALA 307 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1rqj h ALA 307 CO -0.19 0.60 -0.52 -0.07 0.00 0.00 0.00 179.25 179.07 1rqj h LEU 308 N 1.03 0.00 -0.10 0.00 3.38 -1.69 -0.77 115.31 117.15 1rqj h LEU 308 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1rqj h LEU 308 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1rqj h LEU 308 CO -0.00 0.52 -0.11 -0.33 0.09 0.00 0.00 178.44 178.60 1rqj h GLU 309 N 0.00 0.26 -0.66 1.13 5.08 -0.80 -1.98 114.58 117.61 1rqj h GLU 309 Ca -0.01 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1rqj h GLU 309 Cb 1.02 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1rqj h GLU 309 CO 0.07 0.68 0.13 0.00 -1.00 0.00 0.00 179.01 178.89 1rqj h ALA 310 N 0.57 0.97 -0.55 3.43 0.00 -1.03 -2.49 119.26 120.16 1rqj h ALA 310 Ca 0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1rqj h ALA 310 Cb 0.64 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1rqj h ALA 310 CO 0.03 0.65 0.08 1.25 0.00 0.00 0.00 179.25 181.25 1rqj h LEU 311 N 1.01 0.88 -0.30 0.00 5.85 -1.20 -1.06 115.31 120.49 1rqj h LEU 311 Ca 0.20 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1rqj h LEU 311 Cb 0.40 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1rqj h LEU 311 CO 0.01 0.93 0.18 0.00 -0.34 0.00 0.00 178.44 179.22 1rqj h ALA 312 N 0.99 0.38 -0.41 1.25 0.00 -1.03 -0.39 119.26 120.05 1rqj h ALA 312 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1rqj h ALA 312 Cb 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1rqj h ALA 312 CO 0.01 -0.18 0.24 -0.44 0.00 0.00 0.00 179.25 178.88 1rqj h ASP 313 N 0.38 0.38 -0.06 0.00 3.32 -1.36 -2.72 116.42 116.36 1rqj h ASP 313 Ca 0.12 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1rqj h ASP 313 Cb -0.02 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1rqj h ASP 313 CO -0.04 0.27 -0.01 0.22 -1.72 0.00 0.00 179.24 177.96 1rqj h TYR 314 N 0.48 0.19 -0.39 4.55 5.03 -0.55 -1.37 116.97 124.91 1rqj h TYR 314 Ca 0.17 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.51 1rqj h TYR 314 Cb 0.02 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 1rqj h TYR 314 CO -0.08 0.21 0.26 0.82 -1.32 0.00 0.00 178.16 178.06 1rqj h ILE 315 N 0.19 1.00 -0.02 1.81 2.04 -0.75 -1.00 117.51 120.79 1rqj h ILE 315 Ca 0.05 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1rqj h ILE 315 Cb 0.15 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1rqj h ILE 315 CO 0.00 0.07 -0.11 2.30 0.00 0.00 0.00 178.15 180.41 1rqj n ILE 316 N -4.48 0.00 -0.03 -0.67 -5.35 -0.87 -4.50 119.36 103.46 1rqj n ILE 316 Ca 0.04 -0.45 0.06 0.00 -0.27 0.00 0.00 62.75 62.14 1rqj n ILE 316 Cb 0.19 1.26 -0.16 0.00 -1.74 0.00 0.00 39.64 39.19 1rqj n ILE 316 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rqj n GLN 317 N 0.47 0.68 -1.81 6.28 6.02 -0.57 -5.00 117.38 123.44 1rqj n GLN 317 Ca 0.08 -0.15 -0.37 0.00 -0.01 0.00 0.00 57.00 56.54 1rqj n GLN 317 Cb 0.34 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.16 1rqj n GLN 317 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1rqj s ARG 318 N -3.24 2.83 0.00 -1.09 1.70 -0.42 -4.95 118.95 113.79 1rqj s ARG 318 Ca -0.08 2.07 0.14 0.00 -0.47 0.00 0.00 55.73 57.39 1rqj s ARG 318 Cb 0.12 -2.00 0.39 0.00 -0.57 0.00 0.00 34.95 32.88 1rqj s ARG 318 CO 0.85 -1.38 1.31 0.27 -1.08 0.00 0.00 175.30 175.28 1rqj n ASN 319 N -1.55 3.16 0.00 -2.89 6.94 -1.26 -5.05 115.26 114.62 1rqj n ASN 319 Ca 0.14 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 1rqj n ASN 319 Cb 0.47 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1rqj n ASN 319 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52