#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqx s MET 14 N 0.00 2.17 0.41 -1.46 1.00 -1.19 -4.96 119.30 115.27 3iqx s MET 14 Ca 0.00 -1.85 -0.24 0.00 0.00 0.00 0.00 55.69 53.60 3iqx s MET 14 Cb 0.00 -1.94 -0.12 0.00 0.00 0.00 0.00 34.83 32.77 3iqx s MET 14 CO 0.00 -0.05 0.80 0.39 0.00 0.00 0.00 175.02 176.16 3iqx n GLU 15 N -1.15 0.97 -1.72 2.03 4.71 -1.26 -4.76 120.64 119.46 3iqx n GLU 15 Ca -0.02 0.35 -0.34 0.00 -0.01 0.00 0.00 57.16 57.14 3iqx n GLU 15 Cb 0.64 -1.77 -0.03 0.00 -1.01 0.00 0.00 31.44 29.27 3iqx n GLU 15 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3iqx n PRO 16 N 0.37 3.62 -3.71 3.49 -0.04 -1.26 -4.23 135.00 133.24 3iqx n PRO 16 Ca 0.11 -2.86 -0.10 0.00 -0.04 0.00 0.00 63.50 60.61 3iqx n PRO 16 Cb 0.38 -2.43 -0.05 0.00 -0.04 0.00 0.00 33.50 31.36 3iqx n PRO 16 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3iqx s THR 17 N -1.26 0.07 -0.96 0.52 -4.23 -1.26 -4.46 115.64 104.06 3iqx s THR 17 Ca 0.57 -0.76 0.11 0.00 -1.18 0.00 0.00 61.69 60.43 3iqx s THR 17 Cb 0.26 -1.31 0.49 0.00 1.34 0.00 0.00 72.50 73.29 3iqx s THR 17 CO -0.14 -0.33 1.31 0.18 -0.54 0.00 0.00 174.62 175.11 3iqx n LEU 18 N -0.22 3.58 -0.33 4.79 4.77 -1.04 -4.33 117.00 124.22 3iqx n LEU 18 Ca -0.14 -1.81 0.28 0.00 -0.03 0.00 0.00 56.01 54.31 3iqx n LEU 18 Cb 0.63 -0.53 0.61 0.00 -2.33 0.00 0.00 43.42 41.80 3iqx n LEU 18 CO 0.18 0.53 1.26 -0.61 -1.33 0.00 0.00 177.39 177.42 3iqx h GLN 19 N 2.61 0.22 -0.09 3.23 5.75 -1.83 0.20 115.11 125.19 3iqx h GLN 19 Ca 0.00 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3iqx h GLN 19 Cb 1.20 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 3iqx h GLN 19 CO 0.22 0.14 -0.13 0.66 -2.65 0.00 0.00 178.83 177.08 3iqx h SER 20 N 0.23 0.13 0.66 -0.69 4.64 -1.99 0.83 113.55 117.37 3iqx h SER 20 Ca 0.60 -0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 61.64 3iqx h SER 20 Cb 1.86 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.91 3iqx h SER 20 CO -0.20 0.28 -1.15 0.40 -0.87 0.00 0.00 176.83 175.29 3iqx h ILE 21 N 0.14 1.53 -0.14 0.95 1.08 -0.96 0.07 117.51 120.17 3iqx h ILE 21 Ca 0.03 -3.04 -0.00 0.00 -0.39 0.00 0.00 64.86 61.46 3iqx h ILE 21 Cb 0.32 2.85 -0.01 0.00 -3.07 0.00 0.00 36.82 36.92 3iqx h ILE 21 CO 0.02 0.88 0.08 -0.07 -0.69 0.00 0.00 178.15 178.37 3iqx h LEU 22 N 0.08 0.18 -1.38 1.44 3.38 -1.10 -3.07 115.31 114.84 3iqx h LEU 22 Ca -0.10 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3iqx h LEU 22 Cb 1.87 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 3iqx h LEU 22 CO 0.18 0.23 -0.24 0.44 0.09 0.00 0.00 178.44 179.14 3iqx h ASP 23 N 0.13 0.10 -0.68 -0.43 3.32 -0.62 -3.40 116.42 114.83 3iqx h ASP 23 Ca 0.05 -0.02 -0.64 0.00 0.02 0.00 0.00 57.03 56.44 3iqx h ASP 23 Cb 0.09 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 3iqx h ASP 23 CO -0.01 0.34 2.18 1.67 -1.72 0.00 0.00 179.24 181.71 3iqx n GLN 24 N -4.21 2.91 -0.11 3.56 7.27 -0.01 -4.85 117.38 121.94 3iqx n GLN 24 Ca -0.02 -3.06 0.17 0.00 0.07 0.00 0.00 57.00 54.16 3iqx n GLN 24 Cb 0.32 -3.49 0.56 0.00 2.41 0.00 0.00 30.24 30.04 3iqx n GLN 24 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3iqx h ARG 25 N 7.66 0.28 -0.05 3.69 3.08 -1.85 -2.00 114.38 125.19 3iqx h ARG 25 Ca 0.43 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.48 3iqx h ARG 25 Cb 0.85 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 3iqx h ARG 25 CO 1.49 0.18 0.17 0.77 -1.07 0.00 0.00 179.97 181.52 3iqx h SER 26 N 0.29 0.00 -2.52 7.04 0.02 -1.89 -3.44 113.55 113.05 3iqx h SER 26 Ca 0.33 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.69 3iqx h SER 26 Cb 0.87 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.49 3iqx h SER 26 CO -0.08 0.00 0.69 0.18 -1.14 0.00 0.00 176.83 176.48 3iqx n LEU 27 N -3.22 3.10 0.00 5.07 4.77 -0.75 -4.33 117.00 121.64 3iqx n LEU 27 Ca -0.01 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 3iqx n LEU 27 Cb 0.25 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.91 3iqx n LEU 27 CO 0.20 -0.41 -0.35 -1.14 -1.33 0.00 0.00 177.39 174.36 3iqx n ARG 28 N 2.56 0.14 -4.02 3.23 3.00 0.13 -4.66 116.66 117.05 3iqx n ARG 28 Ca 0.14 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.67 3iqx n ARG 28 Cb 0.30 -0.85 -0.15 0.00 0.00 0.00 0.00 32.46 31.76 3iqx n ARG 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3iqx s TRP 29 N -1.71 3.40 -0.29 -0.14 0.51 0.11 -0.60 118.94 120.22 3iqx s TRP 29 Ca 0.00 -2.61 -0.11 0.00 -2.12 0.00 0.00 56.10 51.26 3iqx s TRP 29 Cb 0.00 -2.41 -0.04 0.00 -0.81 0.00 0.00 33.47 30.21 3iqx s TRP 29 CO 0.00 -0.91 0.18 0.42 -0.51 0.00 0.00 176.95 176.13 3iqx s ILE 30 N 1.04 5.16 -0.19 2.03 1.01 0.62 -3.05 121.20 127.83 3iqx s ILE 30 Ca 0.02 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 3iqx s ILE 30 Cb -0.19 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3iqx s ILE 30 CO -0.08 0.21 0.04 -0.36 0.00 0.00 0.00 174.94 174.76 3iqx s PHE 31 N 1.73 3.18 -0.23 3.97 0.08 -0.95 0.07 117.98 125.84 3iqx s PHE 31 Ca 0.07 -0.06 -0.06 0.00 0.12 0.00 0.00 56.93 57.00 3iqx s PHE 31 Cb -0.16 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 3iqx s PHE 31 CO 0.10 0.05 0.02 0.08 -0.10 0.00 0.00 175.22 175.37 3iqx s VAL 32 N 0.52 3.93 0.26 -0.44 1.01 -1.14 -0.24 120.40 124.31 3iqx s VAL 32 Ca 0.02 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3iqx s VAL 32 Cb -0.13 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 3iqx s VAL 32 CO 0.01 0.39 0.07 -0.83 0.00 0.00 0.00 175.10 174.74 3iqx s GLY 33 N 1.40 1.73 0.00 4.51 0.00 -0.70 -4.45 107.32 109.81 3iqx s GLY 33 Ca 0.05 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.90 3iqx s GLY 33 CO 0.01 -1.64 0.00 0.61 0.00 0.00 0.00 173.10 172.08 3iqx n GLY 34 N -0.48 -0.01 3.90 0.20 0.00 -1.26 0.59 105.19 108.12 3iqx n GLY 34 Ca -0.02 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.07 3iqx n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iqx s LYS 35 N -1.93 3.65 -0.37 1.61 2.20 -1.26 -4.41 119.74 119.23 3iqx s LYS 35 Ca 0.00 0.16 -0.38 0.00 -0.36 0.00 0.00 55.97 55.39 3iqx s LYS 35 Cb 0.00 -2.51 -0.14 0.00 -1.51 0.00 0.00 37.83 33.67 3iqx s LYS 35 CO 0.00 0.05 2.08 0.41 -0.36 0.00 0.00 175.35 177.53 3iqx n GLY 36 N -1.38 0.42 1.99 5.54 0.00 -1.26 -1.13 105.19 109.38 3iqx n GLY 36 Ca -0.00 0.98 0.00 0.00 0.00 0.00 0.00 46.02 46.99 3iqx n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iqx n GLY 37 N 6.27 0.44 0.12 -0.02 0.00 -1.26 -4.88 105.19 105.87 3iqx n GLY 37 Ca 0.41 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3iqx n GLY 37 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iqx n VAL 38 N -3.00 0.78 0.00 1.61 0.24 -0.28 -4.82 118.33 112.86 3iqx n VAL 38 Ca 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 3iqx n VAL 38 Cb 0.00 -1.04 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 3iqx n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iqx n GLY 39 N 0.26 1.92 0.00 7.63 0.00 -1.26 -4.65 105.19 109.09 3iqx n GLY 39 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3iqx n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iqx n LYS 40 N 0.00 0.00 -0.17 1.61 5.02 -1.26 -2.44 118.16 120.92 3iqx n LYS 40 Ca 0.00 0.82 -0.11 0.00 -2.02 0.00 0.00 58.31 57.00 3iqx n LYS 40 Cb 0.00 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.51 3iqx n LYS 40 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3iqx h THR 41 N 0.00 0.05 -1.00 -0.18 2.02 -1.96 0.10 112.91 111.94 3iqx h THR 41 Ca 0.00 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.51 3iqx h THR 41 Cb 0.00 0.05 -0.18 0.00 -1.74 0.00 0.00 68.15 66.28 3iqx h THR 41 CO 0.00 0.00 0.22 0.74 0.37 0.00 0.00 175.52 176.85 3iqx h THR 42 N -0.32 0.00 0.31 3.16 2.02 -1.92 -0.91 112.91 115.26 3iqx h THR 42 Ca 0.12 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 3iqx h THR 42 Cb 0.58 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3iqx h THR 42 CO -0.63 0.00 -0.15 0.74 0.37 0.00 0.00 175.52 175.85 3iqx h THR 43 N 0.00 0.64 -0.71 3.16 2.02 -0.47 -1.62 112.91 115.93 3iqx h THR 43 Ca 0.70 -0.67 0.10 0.00 0.77 0.00 0.00 66.41 67.30 3iqx h THR 43 Cb 1.62 0.96 -0.11 0.00 -1.74 0.00 0.00 68.15 68.88 3iqx h THR 43 CO -0.87 0.12 -0.31 -1.20 0.37 0.00 0.00 175.52 173.62 3iqx n SER 44 N -5.11 -0.53 0.10 4.18 7.64 -0.73 0.18 113.62 119.34 3iqx n SER 44 Ca -0.09 1.24 -0.04 0.00 1.01 0.00 0.00 58.87 60.98 3iqx n SER 44 Cb 0.27 -0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 3iqx n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iqx h SER 46 N -0.26 -0.40 -0.55 0.00 0.02 -0.02 0.52 113.55 112.85 3iqx h SER 46 Ca -0.02 0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3iqx h SER 46 Cb 0.21 0.45 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 3iqx h SER 46 CO 0.03 -0.33 0.32 0.25 -1.14 0.00 0.00 176.83 175.96 3iqx h LEU 47 N 0.03 0.68 -0.01 5.07 5.85 0.21 -1.78 115.31 125.36 3iqx h LEU 47 Ca 0.59 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.23 3iqx h LEU 47 Cb 1.22 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3iqx h LEU 47 CO -0.88 0.56 0.00 0.00 -0.34 0.00 0.00 178.44 177.78 3iqx h ALA 48 N 1.15 0.01 -0.87 1.25 0.00 0.16 -1.57 119.26 119.38 3iqx h ALA 48 Ca 0.20 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.23 3iqx h ALA 48 Cb 0.02 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.65 3iqx h ALA 48 CO -0.03 -0.39 0.10 0.82 0.00 0.00 0.00 179.25 179.75 3iqx h ILE 49 N -0.18 0.23 -0.03 0.00 2.04 -0.09 0.66 117.51 120.14 3iqx h ILE 49 Ca 0.00 -0.04 -0.23 0.00 1.00 0.00 0.00 64.86 65.59 3iqx h ILE 49 Cb 0.20 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3iqx h ILE 49 CO -0.00 0.02 -0.93 -0.61 0.00 0.00 0.00 178.15 176.63 3iqx h GLN 50 N 0.11 0.55 -0.28 2.37 5.75 -0.97 -2.98 115.11 119.65 3iqx h GLN 50 Ca 0.52 -0.55 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 3iqx h GLN 50 Cb 1.03 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 3iqx h GLN 50 CO -0.74 1.18 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.51 3iqx h LEU 51 N 0.32 0.52 -1.64 -2.39 3.38 -0.43 -1.98 115.31 113.10 3iqx h LEU 51 Ca -0.09 -0.34 0.21 0.00 0.09 0.00 0.00 57.88 57.76 3iqx h LEU 51 Cb 1.57 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 3iqx h LEU 51 CO 0.17 0.74 0.78 0.00 0.09 0.00 0.00 178.44 180.22 3iqx h ALA 52 N 0.80 2.54 0.00 1.53 0.00 0.38 1.01 119.26 125.53 3iqx h ALA 52 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3iqx h ALA 52 Cb 0.49 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3iqx h ALA 52 CO 0.02 -1.16 -0.30 -0.22 0.00 0.00 0.00 179.25 177.59 3iqx h LYS 53 N 0.00 0.00 -0.66 0.00 3.64 -1.21 -3.35 116.57 114.99 3iqx h LYS 53 Ca 0.35 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.41 3iqx h LYS 53 Cb 1.91 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.33 3iqx h LYS 53 CO -0.00 0.30 -1.09 1.33 -2.27 0.00 0.00 179.45 177.71 3iqx n VAL 54 N -3.20 1.38 -4.16 2.00 0.24 0.34 -5.06 118.33 109.86 3iqx n VAL 54 Ca 0.02 -3.18 -0.12 0.00 -2.04 0.00 0.00 64.34 59.03 3iqx n VAL 54 Cb 0.62 0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 33.68 3iqx n VAL 54 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3iqx s ARG 55 N -3.60 1.34 0.10 7.34 1.81 -0.43 -5.00 118.95 120.52 3iqx s ARG 55 Ca 0.30 -1.58 -0.12 0.00 -1.72 0.00 0.00 55.73 52.61 3iqx s ARG 55 Cb 0.37 0.32 -0.16 0.00 -0.45 0.00 0.00 34.95 35.03 3iqx s ARG 55 CO -0.02 -0.47 1.28 -0.09 -0.68 0.00 0.00 175.30 175.32 3iqx h ARG 56 N 2.49 0.74 -2.31 3.54 2.43 -1.90 -3.47 114.38 115.90 3iqx h ARG 56 Ca -0.33 -0.66 0.02 0.00 -0.81 0.00 0.00 59.98 58.20 3iqx h ARG 56 Cb 1.25 0.15 -0.17 0.00 -0.42 0.00 0.00 29.97 30.79 3iqx h ARG 56 CO 0.48 1.26 0.33 -1.54 -1.51 0.00 0.00 179.97 178.98 3iqx s SER 57 N -7.15 -0.51 -0.03 -3.80 1.04 -1.26 -4.93 113.70 97.06 3iqx s SER 57 Ca -0.10 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.61 3iqx s SER 57 Cb 0.08 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3iqx s SER 57 CO 0.91 -0.68 -0.00 -0.69 0.98 0.00 0.00 173.24 173.75 3iqx s VAL 58 N -2.45 0.17 -0.19 5.02 1.01 -1.17 -2.65 120.40 120.14 3iqx s VAL 58 Ca -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3iqx s VAL 58 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3iqx s VAL 58 CO -0.03 0.13 -0.02 -0.22 0.00 0.00 0.00 175.10 174.96 3iqx s LEU 59 N 0.89 3.15 -0.29 3.92 2.96 -0.30 -0.35 118.68 128.66 3iqx s LEU 59 Ca -0.09 -0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 53.49 3iqx s LEU 59 Cb -0.12 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3iqx s LEU 59 CO -0.02 0.08 0.17 -0.22 -1.32 0.00 0.00 176.35 175.04 3iqx s LEU 60 N 0.92 4.03 -0.15 -0.68 2.96 0.24 -0.56 118.68 125.45 3iqx s LEU 60 Ca 0.00 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3iqx s LEU 60 Cb -0.14 -2.06 0.04 0.00 0.50 0.00 0.00 46.19 44.53 3iqx s LEU 60 CO 0.01 -0.12 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.65 3iqx s LEU 61 N 1.69 1.39 -0.09 -0.68 0.20 -0.28 -0.52 118.68 120.39 3iqx s LEU 61 Ca 0.06 -0.53 -0.06 0.00 0.69 0.00 0.00 54.13 54.29 3iqx s LEU 61 Cb -0.16 -0.84 -0.04 0.00 -0.43 0.00 0.00 46.19 44.72 3iqx s LEU 61 CO 0.08 -0.17 0.14 -0.55 -0.29 0.00 0.00 176.35 175.56 3iqx s SER 62 N 1.69 6.34 0.00 3.68 0.15 -0.20 0.27 113.70 125.63 3iqx s SER 62 Ca 0.02 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.10 3iqx s SER 62 Cb -0.14 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 3iqx s SER 62 CO -0.08 0.37 0.00 0.41 1.20 0.00 0.00 173.24 175.15 3iqx n THR 63 N 1.73 0.00 -1.25 6.45 -1.04 -0.15 -2.16 114.28 117.86 3iqx n THR 63 Ca -0.18 0.00 -0.48 0.00 -2.04 0.00 0.00 64.05 61.36 3iqx n THR 63 Cb 0.54 0.14 -0.06 0.00 -1.82 0.00 0.00 70.33 69.14 3iqx n THR 63 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3iqx n ASP 64 N -1.38 -0.27 -0.00 8.00 -0.08 -1.25 -4.35 116.55 117.21 3iqx n ASP 64 Ca 0.00 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.26 3iqx n ASP 64 Cb 0.09 -0.79 0.00 0.00 2.34 0.00 0.00 41.12 42.77 3iqx n ASP 64 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3iqx n PRO 65 N 1.16 0.00 -3.55 -0.67 -0.04 -1.26 -4.59 135.00 126.05 3iqx n PRO 65 Ca 0.17 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 3iqx n PRO 65 Cb 0.10 -1.00 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 3iqx n PRO 65 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iqx s ALA 66 N -1.14 4.30 -0.31 0.55 0.00 -1.26 -5.05 121.76 118.84 3iqx s ALA 66 Ca 0.00 -1.74 0.08 0.00 0.00 0.00 0.00 51.96 50.31 3iqx s ALA 66 Cb 0.00 -1.02 0.53 0.00 0.00 0.00 0.00 23.12 22.63 3iqx s ALA 66 CO 0.00 -0.39 1.52 1.58 0.00 0.00 0.00 175.76 178.47 3iqx n HIS 67 N -1.74 1.33 0.56 0.00 -0.00 -1.26 -4.81 115.22 109.31 3iqx n HIS 67 Ca 0.04 -1.63 0.13 0.00 0.46 0.00 0.00 57.72 56.72 3iqx n HIS 67 Cb 0.62 -0.55 0.33 0.00 -0.12 0.00 0.00 29.99 30.27 3iqx n HIS 67 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 3iqx h ASN 68 N 1.03 0.00 0.33 0.26 4.21 -1.97 -3.08 115.58 116.36 3iqx h ASN 68 Ca 0.27 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.73 3iqx h ASN 68 Cb 1.81 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.00 3iqx h ASN 68 CO 0.48 0.02 -0.24 -0.07 -1.29 0.00 0.00 177.43 176.32 3iqx h LEU 69 N 0.00 -0.63 -0.15 1.61 3.38 -1.95 -0.26 115.31 117.30 3iqx h LEU 69 Ca 0.00 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3iqx h LEU 69 Cb 0.77 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 3iqx h LEU 69 CO 0.00 -0.37 -0.16 0.28 0.09 0.00 0.00 178.44 178.28 3iqx h SER 70 N -0.57 -0.50 -0.77 -0.43 0.02 -1.67 -0.61 113.55 109.02 3iqx h SER 70 Ca -0.03 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3iqx h SER 70 Cb 0.49 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 3iqx h SER 70 CO 0.00 -0.20 0.50 0.44 -1.14 0.00 0.00 176.83 176.43 3iqx h ASP 71 N -0.19 0.89 -0.06 3.07 3.32 -1.48 0.97 116.42 122.94 3iqx h ASP 71 Ca 0.10 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3iqx h ASP 71 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3iqx h ASP 71 CO -0.26 0.65 -0.23 0.00 -1.72 0.00 0.00 179.24 177.67 3iqx h ALA 72 N 1.51 1.13 -0.19 3.45 0.00 -0.32 -2.95 119.26 121.89 3iqx h ALA 72 Ca 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iqx h ALA 72 Cb -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3iqx h ALA 72 CO -0.06 0.54 0.00 1.19 0.00 0.00 0.00 179.25 180.92 3iqx n PHE 73 N -4.13 0.23 -3.54 0.00 3.72 -0.30 -1.76 117.46 111.67 3iqx n PHE 73 Ca -0.00 -0.13 -0.21 0.00 -0.05 0.00 0.00 57.45 57.05 3iqx n PHE 73 Cb 0.39 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.95 3iqx n PHE 73 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3iqx n SER 74 N 1.22 -5.90 -3.57 4.37 7.64 0.32 -4.72 113.62 112.97 3iqx n SER 74 Ca 0.15 -0.75 -0.02 0.00 1.01 0.00 0.00 58.87 59.26 3iqx n SER 74 Cb 0.53 -3.50 -0.06 0.00 -1.01 0.00 0.00 64.21 60.18 3iqx n SER 74 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3iqx s GLN 75 N -4.90 0.40 0.11 1.43 0.74 -0.03 -5.00 119.66 112.41 3iqx s GLN 75 Ca 0.23 0.79 -0.31 0.00 0.05 0.00 0.00 55.36 56.12 3iqx s GLN 75 Cb -0.08 0.24 -0.10 0.00 1.10 0.00 0.00 33.01 34.17 3iqx s GLN 75 CO 0.84 -0.10 1.76 0.21 -0.55 0.00 0.00 175.29 177.45 3iqx s LYS 76 N 1.80 4.16 0.10 1.67 2.36 -1.26 -3.99 119.74 124.58 3iqx s LYS 76 Ca -0.07 2.50 0.06 0.00 -2.55 0.00 0.00 55.97 55.91 3iqx s LYS 76 Cb -0.05 -3.55 -0.03 0.00 -1.05 0.00 0.00 37.83 33.14 3iqx s LYS 76 CO -0.16 -0.79 -0.15 -0.06 1.55 0.00 0.00 175.35 175.73 3iqx s PHE 77 N 2.56 1.40 0.13 4.03 0.08 -1.26 -5.02 117.98 119.91 3iqx s PHE 77 Ca 0.78 -0.50 0.02 0.00 0.12 0.00 0.00 56.93 57.35 3iqx s PHE 77 Cb -0.44 -0.75 -0.01 0.00 -0.57 0.00 0.00 43.02 41.25 3iqx s PHE 77 CO 0.35 0.13 0.08 0.41 -0.10 0.00 0.00 175.22 176.08 3iqx n GLY 78 N 0.87 3.71 0.00 4.36 0.00 -1.26 -4.66 105.19 108.21 3iqx n GLY 78 Ca -0.18 -1.86 0.06 0.00 0.00 0.00 0.00 46.02 44.04 3iqx n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3iqx n LYS 79 N -0.27 0.74 -4.26 1.61 -0.00 -1.08 -1.15 118.16 113.75 3iqx n LYS 79 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 3iqx n LYS 79 Cb 0.22 -1.25 -0.11 0.00 -0.00 0.00 0.00 35.03 33.89 3iqx n LYS 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3iqx s GLU 80 N -2.00 3.66 1.02 -1.58 2.12 -1.26 -4.92 118.70 115.73 3iqx s GLU 80 Ca 0.18 -0.43 -0.13 0.00 0.36 0.00 0.00 54.97 54.94 3iqx s GLU 80 Cb 0.08 -3.00 0.13 0.00 0.26 0.00 0.00 34.13 31.60 3iqx s GLU 80 CO 0.14 0.34 0.66 0.00 -0.54 0.00 0.00 175.26 175.85 3iqx n ALA 81 N 3.27 -2.45 -3.61 6.30 0.00 -1.26 -4.74 120.51 118.02 3iqx n ALA 81 Ca -0.17 -0.83 -0.03 0.00 0.00 0.00 0.00 53.44 52.41 3iqx n ALA 81 Cb 0.53 -1.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 3iqx n ALA 81 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3iqx s ARG 82 N -4.03 0.50 0.27 0.00 1.70 -1.23 -4.96 118.95 111.20 3iqx s ARG 82 Ca 0.62 -0.23 -0.30 0.00 -0.47 0.00 0.00 55.73 55.35 3iqx s ARG 82 Cb -0.21 0.20 -0.09 0.00 -0.57 0.00 0.00 34.95 34.28 3iqx s ARG 82 CO 0.64 -0.23 1.05 -1.17 -1.08 0.00 0.00 175.30 174.52 3iqx s LEU 83 N -2.57 4.58 -0.07 -1.89 2.96 -1.26 -2.55 118.68 117.87 3iqx s LEU 83 Ca 0.11 2.17 -0.30 0.00 -0.22 0.00 0.00 54.13 55.89 3iqx s LEU 83 Cb 0.01 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 3iqx s LEU 83 CO -0.04 -0.05 1.10 -0.69 -1.32 0.00 0.00 176.35 175.34 3iqx s VAL 84 N -1.15 4.52 0.01 1.68 1.01 -0.42 -4.89 120.40 121.17 3iqx s VAL 84 Ca 0.43 1.82 -0.37 0.00 0.00 0.00 0.00 61.98 63.86 3iqx s VAL 84 Cb -0.30 -4.17 -0.16 0.00 0.00 0.00 0.00 36.38 31.75 3iqx s VAL 84 CO 0.38 0.01 1.46 -0.62 0.00 0.00 0.00 175.10 176.33 3iqx n GLU 85 N 4.99 1.25 -0.44 2.72 -0.58 -1.26 -1.32 120.64 125.99 3iqx n GLU 85 Ca 0.10 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 3iqx n GLU 85 Cb 0.48 -2.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 3iqx n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iqx n GLY 86 N 2.98 0.78 3.15 0.62 0.00 -1.26 -4.98 105.19 106.49 3iqx n GLY 86 Ca 0.20 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3iqx n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iqx s PHE 87 N -2.00 0.78 0.00 1.61 0.08 -0.44 -5.02 117.98 113.00 3iqx s PHE 87 Ca 0.00 -1.18 0.00 0.00 0.12 0.00 0.00 56.93 55.87 3iqx s PHE 87 Cb 0.00 -0.44 0.00 0.00 -0.57 0.00 0.00 43.02 42.01 3iqx s PHE 87 CO 0.00 -0.51 0.65 -0.40 -0.10 0.00 0.00 175.22 174.85 3iqx n ASP 88 N -0.07 1.24 0.00 1.36 3.85 -1.26 -4.64 116.55 117.03 3iqx n ASP 88 Ca -0.07 -1.37 0.00 0.00 -0.71 0.00 0.00 54.79 52.64 3iqx n ASP 88 Cb 0.63 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.40 3iqx n ASP 88 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3iqx n ASN 89 N -0.18 4.77 -4.44 -1.12 4.05 -1.26 -5.04 115.26 112.03 3iqx n ASN 89 Ca 0.00 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.70 3iqx n ASN 89 Cb 0.14 0.43 -0.13 0.00 1.23 0.00 0.00 39.78 41.44 3iqx n ASN 89 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3iqx s LEU 90 N -4.07 2.72 0.08 1.20 2.96 -1.26 -3.04 118.68 117.27 3iqx s LEU 90 Ca 0.00 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 3iqx s LEU 90 Cb 0.00 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3iqx s LEU 90 CO 0.00 0.30 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.84 3iqx s TYR 91 N -0.43 1.51 0.01 5.38 2.02 0.53 -1.30 117.35 125.08 3iqx s TYR 91 Ca 0.05 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 3iqx s TYR 91 Cb -0.12 -0.84 -0.01 0.00 -0.40 0.00 0.00 41.96 40.58 3iqx s TYR 91 CO 0.02 0.13 -0.03 0.00 -1.57 0.00 0.00 175.55 174.10 3iqx s ALA 92 N -1.18 0.18 0.04 3.71 0.00 -1.06 0.83 121.76 124.29 3iqx s ALA 92 Ca 0.03 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 3iqx s ALA 92 Cb -0.10 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3iqx s ALA 92 CO 0.03 -0.05 0.31 0.00 0.00 0.00 0.00 175.76 176.05 3iqx s MET 93 N -0.82 0.81 -0.11 0.00 0.23 0.32 -3.49 119.30 116.25 3iqx s MET 93 Ca -0.08 -0.48 0.00 0.00 -1.03 0.00 0.00 55.69 54.11 3iqx s MET 93 Cb -0.06 0.35 0.02 0.00 -1.53 0.00 0.00 34.83 33.62 3iqx s MET 93 CO -0.00 -0.26 -0.09 -1.21 -2.03 0.00 0.00 175.02 171.42 3iqx s GLU 94 N -2.50 1.65 0.17 3.16 2.02 -0.30 -1.03 118.70 121.87 3iqx s GLU 94 Ca -0.05 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.64 3iqx s GLU 94 Cb -0.01 -1.61 -0.01 0.00 0.10 0.00 0.00 34.13 32.60 3iqx s GLU 94 CO -0.03 -0.20 0.09 0.44 0.02 0.00 0.00 175.26 175.58 3iqx n ILE 95 N 4.70 0.00 -3.57 -1.63 -5.35 -0.92 -2.63 119.36 109.95 3iqx n ILE 95 Ca -0.15 -1.10 -0.12 0.00 -0.27 0.00 0.00 62.75 61.11 3iqx n ILE 95 Cb 0.50 0.46 -0.11 0.00 -1.74 0.00 0.00 39.64 38.75 3iqx n ILE 95 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3iqx s ASP 96 N -2.11 0.28 0.00 7.28 1.01 -1.26 -4.32 116.67 117.54 3iqx s ASP 96 Ca 0.13 0.53 0.00 0.00 0.71 0.00 0.00 52.55 53.92 3iqx s ASP 96 Cb 0.01 0.94 0.00 0.00 1.01 0.00 0.00 42.92 44.87 3iqx s ASP 96 CO 0.09 -0.26 0.00 -2.65 0.21 0.00 0.00 175.17 172.56 3iqx n PRO 97 N 5.36 0.00 -2.47 8.23 -0.02 -1.26 -5.12 135.00 139.71 3iqx n PRO 97 Ca -0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 3iqx n PRO 97 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3iqx n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iqx n ALA 128 N 0.00 4.14 -3.00 3.55 0.00 -1.26 -4.89 120.51 119.05 3iqx n ALA 128 Ca 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.47 3iqx n ALA 128 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.02 3iqx n ALA 128 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3iqx n ILE 129 N 5.55 0.00 0.00 0.00 -0.00 -1.26 -5.10 119.36 118.54 3iqx n ILE 129 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.21 3iqx n ILE 129 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.07 3iqx n ILE 129 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 3iqx n PRO 130 N 0.00 0.00 -0.34 0.38 -0.04 -1.26 -4.55 135.00 129.19 3iqx n PRO 130 Ca 0.00 0.00 0.36 0.00 -0.04 0.00 0.00 63.50 63.82 3iqx n PRO 130 Cb 0.00 -0.14 0.74 0.00 -0.04 0.00 0.00 33.50 34.05 3iqx n PRO 130 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3iqx h GLY 131 N 0.00 0.00 0.68 0.55 0.00 -2.00 -1.78 103.07 100.52 3iqx h GLY 131 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3iqx h GLY 131 CO 0.00 0.00 -0.34 1.19 0.00 0.00 0.00 176.54 177.39 3iqx h ILE 132 N 0.00 0.00 -0.98 2.60 2.10 -2.00 -1.85 117.51 117.38 3iqx h ILE 132 Ca 0.59 0.00 0.18 0.00 1.08 0.00 0.00 64.86 66.71 3iqx h ILE 132 Cb 2.49 0.00 -0.18 0.00 -1.09 0.00 0.00 36.82 38.04 3iqx h ILE 132 CO -0.01 0.00 -0.29 -0.78 -1.08 0.00 0.00 178.15 175.99 3iqx h ASP 133 N -0.93 -1.09 -0.29 2.19 1.82 -1.56 -1.73 116.42 114.83 3iqx h ASP 133 Ca -0.09 0.30 0.07 0.00 -0.39 0.00 0.00 57.03 56.91 3iqx h ASP 133 Cb 0.72 0.66 -0.07 0.00 0.68 0.00 0.00 39.33 41.32 3iqx h ASP 133 CO 0.15 -0.31 -0.17 1.05 -1.61 0.00 0.00 179.24 178.34 3iqx h GLU 134 N -0.00 -0.13 -0.30 0.28 4.11 -1.43 -0.79 114.58 116.32 3iqx h GLU 134 Ca 0.43 0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.74 3iqx h GLU 134 Cb 0.68 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3iqx h GLU 134 CO -1.00 -0.09 -0.35 0.00 0.07 0.00 0.00 179.01 177.64 3iqx h ALA 135 N 1.06 0.81 -0.84 1.06 0.00 -0.79 -2.52 119.26 118.03 3iqx h ALA 135 Ca 0.15 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.73 3iqx h ALA 135 Cb 0.37 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.92 3iqx h ALA 135 CO -0.37 0.65 -0.53 1.98 0.00 0.00 0.00 179.25 180.98 3iqx h MET 136 N 0.57 -0.09 -0.09 0.00 4.05 -0.27 0.25 114.93 119.35 3iqx h MET 136 Ca 0.06 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 3iqx h MET 136 Cb 0.87 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.68 3iqx h MET 136 CO 0.08 -0.06 -0.06 0.77 0.23 0.00 0.00 176.91 177.86 3iqx h SER 137 N -0.10 -0.22 -0.63 1.39 0.02 -1.11 -1.22 113.55 111.68 3iqx h SER 137 Ca 0.18 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.26 3iqx h SER 137 Cb 0.50 0.09 -0.11 0.00 0.14 0.00 0.00 62.40 63.02 3iqx h SER 137 CO -0.86 -0.03 -0.42 0.15 -1.14 0.00 0.00 176.83 174.53 3iqx h PHE 138 N -0.01 -1.24 -0.93 3.45 3.04 -1.20 0.16 116.94 120.21 3iqx h PHE 138 Ca 0.01 0.08 0.14 0.00 3.98 0.00 0.00 57.97 62.19 3iqx h PHE 138 Cb 0.05 0.63 -0.15 0.00 2.56 0.00 0.00 35.95 39.04 3iqx h PHE 138 CO -0.86 -0.41 -0.41 0.00 -2.02 0.00 0.00 178.31 174.61 3iqx h ALA 139 N 0.73 0.03 -0.72 2.41 0.00 0.52 0.22 119.26 122.45 3iqx h ALA 139 Ca 0.20 0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.39 3iqx h ALA 139 Cb 0.56 1.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 3iqx h ALA 139 CO -0.72 -0.68 0.47 0.93 0.00 0.00 0.00 179.25 179.25 3iqx h GLU 140 N -0.03 0.81 0.33 0.00 4.39 0.38 -2.23 114.58 118.22 3iqx h GLU 140 Ca 0.30 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3iqx h GLU 140 Cb 0.57 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 3iqx h GLU 140 CO -0.93 0.53 -0.38 0.28 -1.16 0.00 0.00 179.01 177.35 3iqx h VAL 141 N 0.83 0.22 -0.15 3.13 2.07 0.48 -1.63 116.25 121.20 3iqx h VAL 141 Ca 0.29 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.85 3iqx h VAL 141 Cb 0.12 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 3iqx h VAL 141 CO -0.09 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.32 3iqx h LEU 142 N -0.75 -0.37 -0.45 2.57 3.38 -1.01 0.68 115.31 119.36 3iqx h LEU 142 Ca -0.02 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3iqx h LEU 142 Cb 0.69 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 3iqx h LEU 142 CO -0.10 -0.15 -0.19 0.50 0.09 0.00 0.00 178.44 178.59 3iqx h LYS 143 N -0.13 -0.09 -0.28 1.13 1.63 -1.37 0.10 116.57 117.56 3iqx h LYS 143 Ca 0.09 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.97 3iqx h LYS 143 Cb 0.27 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.84 3iqx h LYS 143 CO -0.23 -0.06 -0.26 0.37 -3.45 0.00 0.00 179.45 175.82 3iqx h GLN 144 N -0.09 -0.24 0.00 1.90 5.75 -0.11 -1.78 115.11 120.53 3iqx h GLN 144 Ca 0.22 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3iqx h GLN 144 Cb 0.43 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.03 3iqx h GLN 144 CO -0.51 -0.16 0.00 1.55 -2.65 0.00 0.00 178.83 177.05 3iqx n VAL 145 N -5.39 0.29 0.69 2.39 3.14 0.08 -3.31 118.33 116.22 3iqx n VAL 145 Ca -0.00 0.07 0.09 0.00 -2.96 0.00 0.00 64.34 61.54 3iqx n VAL 145 Cb 0.30 -0.68 0.25 0.00 -1.06 0.00 0.00 33.84 32.66 3iqx n VAL 145 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3iqx n ASN 146 N -1.36 2.37 0.00 6.55 5.15 0.23 -3.66 115.26 124.54 3iqx n ASN 146 Ca 0.09 -1.92 0.00 0.00 -0.60 0.00 0.00 54.58 52.15 3iqx n ASN 146 Cb 0.22 -0.25 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 3iqx n ASN 146 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3iqx n SER 147 N 0.78 1.16 -4.94 1.20 3.41 -1.21 -4.98 113.62 109.04 3iqx n SER 147 Ca 0.16 -1.57 -0.24 0.00 -0.26 0.00 0.00 58.87 56.96 3iqx n SER 147 Cb 0.40 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.40 3iqx n SER 147 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iqx s LEU 148 N -0.57 3.01 0.21 1.04 1.02 -1.24 -5.01 118.68 117.14 3iqx s LEU 148 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.40 3iqx s LEU 148 Cb 0.00 -2.99 0.16 0.00 0.02 0.00 0.00 46.19 43.38 3iqx s LEU 148 CO 0.00 -1.42 1.51 0.77 0.02 0.00 0.00 176.35 177.24 3iqx h SER 149 N -0.32 0.45 -0.60 2.29 4.64 -1.93 -3.46 113.55 114.62 3iqx h SER 149 Ca -0.43 -0.26 -0.45 0.00 -0.47 0.00 0.00 61.79 60.18 3iqx h SER 149 Cb 1.31 -0.13 0.04 0.00 -0.31 0.00 0.00 62.40 63.31 3iqx h SER 149 CO 0.56 0.95 -0.06 -1.22 -0.87 0.00 0.00 176.83 176.20 3iqx n TYR 150 N -3.90 0.21 0.03 4.77 4.02 -1.26 -4.80 117.16 116.23 3iqx n TYR 150 Ca -0.03 0.62 -0.19 0.00 -0.01 0.00 0.00 57.90 58.28 3iqx n TYR 150 Cb 0.63 -1.23 -0.12 0.00 -0.02 0.00 0.00 39.34 38.60 3iqx n TYR 150 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3iqx h GLU 151 N 1.48 0.44 -4.42 -0.72 4.81 -1.84 -3.46 114.58 110.86 3iqx h GLU 151 Ca -0.27 -0.55 -0.33 0.00 -0.13 0.00 0.00 59.36 58.08 3iqx h GLU 151 Cb 0.85 0.18 -0.27 0.00 0.63 0.00 0.00 28.75 30.14 3iqx h GLU 151 CO 0.38 1.21 -0.76 0.99 -0.73 0.00 0.00 179.01 180.10 3iqx s THR 152 N -2.96 0.48 -0.08 0.32 2.01 -1.14 -4.69 115.64 109.58 3iqx s THR 152 Ca -0.12 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 61.55 3iqx s THR 152 Cb 0.03 -0.43 -0.00 0.00 0.01 0.00 0.00 72.50 72.11 3iqx s THR 152 CO 0.85 0.06 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.97 3iqx s ILE 153 N -0.32 2.03 -0.23 1.82 1.01 0.23 -1.15 121.20 124.59 3iqx s ILE 153 Ca 0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 3iqx s ILE 153 Cb -0.03 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 40.70 3iqx s ILE 153 CO -0.00 0.56 -0.03 -0.69 0.00 0.00 0.00 174.94 174.78 3iqx s VAL 154 N 0.13 3.39 -0.03 2.92 1.01 0.28 -0.28 120.40 127.82 3iqx s VAL 154 Ca -0.12 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 3iqx s VAL 154 Cb -0.16 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 3iqx s VAL 154 CO 0.07 0.36 0.38 -0.36 0.00 0.00 0.00 175.10 175.54 3iqx s PHE 155 N 1.47 3.68 -0.08 5.22 0.08 0.11 -1.13 117.98 127.33 3iqx s PHE 155 Ca 0.05 0.92 0.01 0.00 0.12 0.00 0.00 56.93 58.02 3iqx s PHE 155 Cb -0.15 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 39.99 3iqx s PHE 155 CO -0.03 0.59 -0.09 0.34 -0.10 0.00 0.00 175.22 175.93 3iqx s ASP 156 N -0.82 4.42 0.30 1.36 3.68 0.14 -2.86 116.67 122.88 3iqx s ASP 156 Ca 0.23 -0.12 -0.19 0.00 2.13 0.00 0.00 52.55 54.60 3iqx s ASP 156 Cb -0.16 -1.20 0.03 0.00 -1.45 0.00 0.00 42.92 40.14 3iqx s ASP 156 CO 0.12 0.31 0.71 0.42 0.13 0.00 0.00 175.17 176.86 3iqx s THR 157 N -0.53 0.00 0.46 1.71 -4.23 -1.26 -0.98 115.64 110.81 3iqx s THR 157 Ca 0.08 -1.04 -0.23 0.00 -1.18 0.00 0.00 61.69 59.31 3iqx s THR 157 Cb -0.12 -2.21 -0.09 0.00 1.34 0.00 0.00 72.50 71.42 3iqx s THR 157 CO 0.02 0.00 0.99 0.00 -0.54 0.00 0.00 174.62 175.09 3iqx n ALA 158 N -0.47 0.19 -1.44 3.99 0.00 -1.26 -4.67 120.51 116.84 3iqx n ALA 158 Ca -0.05 0.18 -0.47 0.00 0.00 0.00 0.00 53.44 53.11 3iqx n ALA 158 Cb 0.59 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 3iqx n ALA 158 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3iqx n PRO 159 N -0.07 0.34 -0.02 0.00 -0.02 -1.26 -3.70 135.00 130.26 3iqx n PRO 159 Ca 0.10 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3iqx n PRO 159 Cb 0.41 -1.22 0.01 0.00 -0.02 0.00 0.00 33.50 32.68 3iqx n PRO 159 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3iqx n THR 160 N -0.06 -0.02 -0.37 3.45 -1.04 -1.26 0.56 114.28 115.53 3iqx n THR 160 Ca 0.15 0.13 -0.05 0.00 -2.04 0.00 0.00 64.05 62.25 3iqx n THR 160 Cb 0.28 -0.18 -0.01 0.00 -1.82 0.00 0.00 70.33 68.60 3iqx n THR 160 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3iqx n GLY 161 N -1.03 -2.11 0.16 3.41 0.00 -1.26 -0.59 105.19 103.77 3iqx n GLY 161 Ca 0.01 1.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.98 3iqx n GLY 161 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3iqx h HIS 162 N 0.00 -0.28 -0.95 1.61 3.86 1.44 0.16 115.15 120.99 3iqx h HIS 162 Ca 0.26 -0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.66 3iqx h HIS 162 Cb 0.49 0.09 -0.11 0.00 1.06 0.00 0.00 27.41 28.94 3iqx h HIS 162 CO -0.87 0.10 0.53 1.79 0.86 0.00 0.00 177.93 180.34 3iqx h THR 163 N -0.80 0.64 -0.05 2.45 1.35 -1.52 -1.66 112.91 113.32 3iqx h THR 163 Ca -0.03 -0.22 0.01 0.00 -0.55 0.00 0.00 66.41 65.62 3iqx h THR 163 Cb 0.51 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 3iqx h THR 163 CO 0.05 0.12 -0.00 0.25 -0.25 0.00 0.00 175.52 175.68 3iqx h LEU 164 N 0.63 -0.03 -0.89 3.87 5.85 -0.17 0.40 115.31 124.98 3iqx h LEU 164 Ca 0.56 0.01 0.22 0.00 0.84 0.00 0.00 57.88 59.51 3iqx h LEU 164 Cb 0.94 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.87 3iqx h LEU 164 CO -0.42 -0.01 0.38 0.03 -0.34 0.00 0.00 178.44 178.08 3iqx h ARG 165 N 0.01 0.38 -0.18 1.25 3.08 0.20 -1.95 114.38 117.17 3iqx h ARG 165 Ca 0.02 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3iqx h ARG 165 Cb 0.03 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 3iqx h ARG 165 CO -0.04 0.25 -0.19 0.35 -1.07 0.00 0.00 179.97 179.27 3iqx h PHE 166 N 0.39 -0.50 0.27 3.04 3.57 -0.31 -1.89 116.94 121.52 3iqx h PHE 166 Ca 0.55 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 62.07 3iqx h PHE 166 Cb 1.05 0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.04 3iqx h PHE 166 CO -0.14 -0.27 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.47 3iqx h LEU 167 N -0.22 -0.30 -1.67 0.59 3.38 -1.25 -2.42 115.31 113.42 3iqx h LEU 167 Ca 0.12 -0.23 0.49 0.00 0.09 0.00 0.00 57.88 58.34 3iqx h LEU 167 Cb 0.39 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 3iqx h LEU 167 CO -0.31 0.16 1.07 1.56 0.09 0.00 0.00 178.44 181.00 3iqx h GLN 168 N -0.86 0.04 0.56 1.13 4.20 -1.33 -2.81 115.11 116.04 3iqx h GLN 168 Ca -0.04 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3iqx h GLN 168 Cb 0.51 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.29 3iqx h GLN 168 CO 0.06 0.02 -0.27 0.35 -0.67 0.00 0.00 178.83 178.32 3iqx h PHE 169 N 0.04 -0.70 0.00 2.96 3.57 -0.82 -2.75 116.94 119.23 3iqx h PHE 169 Ca 0.85 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.34 3iqx h PHE 169 Cb 3.03 0.23 0.00 0.00 2.79 0.00 0.00 35.95 42.00 3iqx h PHE 169 CO -0.00 -0.39 0.00 -2.30 -2.23 0.00 0.00 178.31 173.38 3iqx n PRO 170 N -5.29 0.00 -0.27 6.41 -0.02 -1.06 0.71 135.00 135.48 3iqx n PRO 170 Ca -0.10 0.40 -0.06 0.00 -2.02 0.00 0.00 63.50 61.72 3iqx n PRO 170 Cb 0.32 -1.23 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 3iqx n PRO 170 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iqx n THR 171 N -1.43 -0.42 0.00 3.45 -2.24 -1.25 0.29 114.28 112.67 3iqx n THR 171 Ca 0.00 1.55 -0.02 0.00 -2.27 0.00 0.00 64.05 63.32 3iqx n THR 171 Cb 0.00 -1.94 -0.01 0.00 -2.10 0.00 0.00 70.33 66.28 3iqx n THR 171 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3iqx h VAL 172 N 0.00 0.00 0.00 2.28 2.07 -1.10 -3.53 116.25 115.97 3iqx h VAL 172 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3iqx h VAL 172 Cb 0.29 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3iqx h VAL 172 CO -0.61 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 176.87 3iqx n LEU 173 N -2.87 0.00 0.00 2.57 0.00 3.44 -5.06 117.00 115.08 3iqx n LEU 173 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.00 3iqx n LEU 173 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.46 3iqx n LEU 173 CO 0.01 0.00 0.04 -0.90 0.00 0.00 0.00 177.39 176.54 3iqx n ASP 209 N 0.00 0.00 0.04 1.96 5.68 -1.26 -5.03 116.55 117.95 3iqx n ASP 209 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3iqx n ASP 209 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3iqx n ASP 209 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3iqx n VAL 210 N -0.42 0.73 0.10 2.12 0.24 -1.26 -4.94 118.33 114.89 3iqx n VAL 210 Ca 0.00 0.24 -0.16 0.00 -2.04 0.00 0.00 64.34 62.38 3iqx n VAL 210 Cb 0.00 -1.26 -0.14 0.00 -1.47 0.00 0.00 33.84 30.97 3iqx n VAL 210 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iqx h MET 211 N 0.00 0.28 0.00 7.34 -0.00 -2.08 -3.05 114.93 117.41 3iqx h MET 211 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 59.70 59.23 3iqx h MET 211 Cb 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 3iqx h MET 211 CO 0.00 1.20 0.00 -1.91 -0.00 0.00 0.00 176.91 176.20 3iqx n GLU 212 N -3.52 0.00 -0.06 -0.10 2.13 -1.26 -0.37 120.64 117.46 3iqx n GLU 212 Ca -0.11 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.71 3iqx n GLU 212 Cb 1.03 -0.71 -0.16 0.00 0.27 0.00 0.00 31.44 31.87 3iqx n GLU 212 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3iqx n LYS 213 N -0.14 0.68 0.17 5.31 4.81 -1.16 -3.98 118.16 123.86 3iqx n LYS 213 Ca 0.00 -0.09 0.17 0.00 -0.87 0.00 0.00 58.31 57.52 3iqx n LYS 213 Cb 0.00 -1.52 0.78 0.00 0.02 0.00 0.00 35.03 34.31 3iqx n LYS 213 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3iqx h LEU 214 N 0.00 0.00 -0.24 3.14 6.46 -0.99 0.21 115.31 123.90 3iqx h LEU 214 Ca -0.30 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 3iqx h LEU 214 Cb 1.68 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.60 3iqx h LEU 214 CO 0.02 0.00 0.12 -0.78 -0.62 0.00 0.00 178.44 177.18 3iqx h ASP 215 N 0.00 0.30 -0.07 1.25 1.82 -1.75 -0.77 116.42 117.20 3iqx h ASP 215 Ca 0.11 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 3iqx h ASP 215 Cb 0.53 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.46 3iqx h ASP 215 CO -0.00 0.32 0.02 0.77 -1.61 0.00 0.00 179.24 178.74 3iqx h SER 216 N 0.27 0.10 0.46 2.28 4.64 -0.77 0.20 113.55 120.73 3iqx h SER 216 Ca 0.08 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3iqx h SER 216 Cb 0.09 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3iqx h SER 216 CO -0.01 0.28 -0.34 -0.07 -0.87 0.00 0.00 176.83 175.82 3iqx h LEU 217 N -0.08 -0.87 -0.28 5.97 4.07 -1.45 0.15 115.31 122.82 3iqx h LEU 217 Ca 0.02 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.07 3iqx h LEU 217 Cb 0.21 0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 3iqx h LEU 217 CO -0.00 -0.51 -0.16 -1.14 -1.08 0.00 0.00 178.44 175.55 3iqx n ARG 218 N -5.46 -0.12 -0.24 1.13 3.00 -0.30 0.23 116.66 114.89 3iqx n ARG 218 Ca -0.11 0.73 0.05 0.00 -0.00 0.00 0.00 57.85 58.52 3iqx n ARG 218 Cb 0.36 -1.08 0.17 0.00 0.00 0.00 0.00 32.46 31.91 3iqx n ARG 218 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3iqx h VAL 219 N 0.00 0.52 -0.49 5.15 2.07 -0.19 -1.15 116.25 122.16 3iqx h VAL 219 Ca 0.04 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3iqx h VAL 219 Cb 0.11 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 3iqx h VAL 219 CO -0.26 0.05 0.09 0.71 0.02 0.00 0.00 177.57 178.18 3iqx h THR 220 N 0.26 1.22 -0.21 2.57 1.35 0.48 -2.82 112.91 115.76 3iqx h THR 220 Ca 0.40 -0.81 -0.15 0.00 -0.55 0.00 0.00 66.41 65.30 3iqx h THR 220 Cb 0.68 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3iqx h THR 220 CO -0.50 0.30 -0.46 0.40 -0.25 0.00 0.00 175.52 175.00 3iqx h ILE 221 N 0.72 1.31 0.00 6.82 5.03 0.21 0.13 117.51 131.74 3iqx h ILE 221 Ca 0.16 -1.68 0.00 0.00 -0.12 0.00 0.00 64.86 63.22 3iqx h ILE 221 Cb 0.31 1.83 0.00 0.00 -3.03 0.00 0.00 36.82 35.92 3iqx h ILE 221 CO 0.00 0.53 0.00 0.28 -0.68 0.00 0.00 178.15 178.28 3iqx h SER 222 N 0.40 0.00 0.00 1.72 0.02 -1.44 0.90 113.55 115.15 3iqx h SER 222 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3iqx h SER 222 Cb 1.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 3iqx h SER 222 CO 0.10 0.00 -0.97 -0.62 -1.14 0.00 0.00 176.83 174.20 3iqx n GLU 223 N -2.34 0.52 -0.03 3.45 1.02 -1.07 -2.30 120.64 119.88 3iqx n GLU 223 Ca 0.03 0.56 -0.14 0.00 -0.02 0.00 0.00 57.16 57.59 3iqx n GLU 223 Cb 0.30 -1.73 -0.09 0.00 -0.02 0.00 0.00 31.44 29.91 3iqx n GLU 223 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3iqx h VAL 224 N -1.00 0.04 -0.16 2.62 2.07 -0.57 0.93 116.25 120.18 3iqx h VAL 224 Ca -0.21 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.35 3iqx h VAL 224 Cb 0.99 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3iqx h VAL 224 CO -0.13 0.00 0.13 -1.13 0.02 0.00 0.00 177.57 176.46 3iqx h ASN 225 N -0.52 0.00 0.09 0.57 -1.24 0.63 0.43 115.58 115.55 3iqx h ASN 225 Ca 0.06 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.07 3iqx h ASN 225 Cb 0.65 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.68 3iqx h ASN 225 CO -0.46 0.00 -0.32 0.00 -1.29 0.00 0.00 177.43 175.36 3iqx h ALA 226 N 1.88 -0.84 0.00 1.57 0.00 0.12 -2.25 119.26 119.74 3iqx h ALA 226 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iqx h ALA 226 Cb 0.34 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3iqx h ALA 226 CO -0.00 -0.92 0.09 1.96 0.00 0.00 0.00 179.25 180.39 3iqx h GLN 227 N -0.47 0.00 0.07 0.00 4.20 0.17 0.89 115.11 119.97 3iqx h GLN 227 Ca -0.01 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.48 3iqx h GLN 227 Cb 0.47 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.27 3iqx h GLN 227 CO -0.16 0.00 -0.91 0.74 -0.67 0.00 0.00 178.83 177.83 3iqx h PHE 228 N 0.00 0.77 0.00 2.96 0.04 -0.95 -3.29 116.94 116.48 3iqx h PHE 228 Ca 0.00 -0.47 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3iqx h PHE 228 Cb 0.18 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3iqx h PHE 228 CO 0.00 1.32 0.00 0.87 -0.60 0.00 0.00 178.31 179.90 3iqx h LYS 229 N 0.01 0.00 -6.09 1.51 1.57 0.13 -3.42 116.57 110.29 3iqx h LYS 229 Ca -0.13 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.06 3iqx h LYS 229 Cb 1.63 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.87 3iqx h LYS 229 CO 0.18 0.00 0.76 0.34 -0.57 0.00 0.00 179.45 180.16 3iqx s ASP 230 N -4.63 7.02 0.00 0.86 -1.08 -0.65 -4.79 116.67 113.41 3iqx s ASP 230 Ca 0.07 1.25 0.13 0.00 -0.52 0.00 0.00 52.55 53.48 3iqx s ASP 230 Cb 0.10 -2.53 0.51 0.00 -1.46 0.00 0.00 42.92 39.55 3iqx s ASP 230 CO 0.52 -0.70 1.37 -1.84 0.52 0.00 0.00 175.17 175.04 3iqx n GLU 231 N 6.40 1.48 0.06 4.34 0.28 -1.26 -2.07 120.64 129.87 3iqx n GLU 231 Ca 0.11 -0.74 0.11 0.00 -0.16 0.00 0.00 57.16 56.48 3iqx n GLU 231 Cb 0.46 -1.26 -0.03 0.00 1.43 0.00 0.00 31.44 32.05 3iqx n GLU 231 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3iqx n ARG 232 N 0.03 0.53 -0.03 3.44 1.74 -1.26 -4.46 116.66 116.65 3iqx n ARG 232 Ca 0.11 0.02 -0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3iqx n ARG 232 Cb 0.21 -1.69 -0.09 0.00 -1.02 0.00 0.00 32.46 29.87 3iqx n ARG 232 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3iqx n LEU 233 N -2.38 0.00 -3.72 0.55 4.77 -0.98 -2.16 117.00 113.07 3iqx n LEU 233 Ca -0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3iqx n LEU 233 Cb 0.52 0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.61 3iqx n LEU 233 CO 0.41 0.14 -0.20 -0.89 -1.33 0.00 0.00 177.39 175.53 3iqx s THR 234 N -2.51 -0.11 0.38 -5.08 2.01 -0.88 0.08 115.64 109.53 3iqx s THR 234 Ca -0.05 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.19 3iqx s THR 234 Cb 0.05 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 3iqx s THR 234 CO 0.46 0.09 0.09 0.42 -0.69 0.00 0.00 174.62 174.99 3iqx s THR 235 N 1.46 0.85 0.04 -0.82 -4.23 -1.17 -4.39 115.64 107.37 3iqx s THR 235 Ca -0.07 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.51 3iqx s THR 235 Cb -0.11 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 3iqx s THR 235 CO -0.07 0.00 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.50 3iqx s PHE 236 N -3.24 2.64 -0.12 3.99 0.08 -1.00 -2.23 117.98 118.10 3iqx s PHE 236 Ca 0.28 -0.20 -0.04 0.00 0.12 0.00 0.00 56.93 57.09 3iqx s PHE 236 Cb 0.05 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 3iqx s PHE 236 CO 0.14 0.30 0.04 0.08 -0.10 0.00 0.00 175.22 175.68 3iqx s VAL 237 N -0.98 4.59 -0.22 -0.44 1.01 0.67 -3.90 120.40 121.13 3iqx s VAL 237 Ca 0.16 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 3iqx s VAL 237 Cb -0.11 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3iqx s VAL 237 CO 0.07 0.56 0.08 0.00 0.00 0.00 0.00 175.10 175.81 3iqx s VAL 239 N 1.07 5.36 -0.04 0.00 1.01 0.20 -1.03 120.40 126.97 3iqx s VAL 239 Ca 0.04 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.27 3iqx s VAL 239 Cb -0.14 -3.66 0.13 0.00 0.00 0.00 0.00 36.38 32.71 3iqx s VAL 239 CO 0.03 0.07 1.33 0.00 0.00 0.00 0.00 175.10 176.52 3iqx s ILE 241 N -2.32 0.69 -0.69 0.00 -4.36 -1.26 0.11 121.20 113.36 3iqx s ILE 241 Ca 0.14 -1.95 -0.27 0.00 -0.26 0.00 0.00 60.65 58.31 3iqx s ILE 241 Cb 0.06 -1.84 0.02 0.00 1.25 0.00 0.00 42.46 41.95 3iqx s ILE 241 CO -0.05 -0.73 1.39 -2.16 0.24 0.00 0.00 174.94 173.63 3iqx s PRO 242 N -3.86 3.12 -0.28 0.37 0.04 -1.26 -4.38 135.00 128.75 3iqx s PRO 242 Ca 0.16 -0.00 -0.27 0.00 0.04 0.00 0.00 61.00 60.93 3iqx s PRO 242 Cb 0.05 -4.20 0.18 0.00 0.04 0.00 0.00 34.50 30.57 3iqx s PRO 242 CO -0.02 -2.21 1.35 -1.83 0.04 0.00 0.00 177.00 174.33 3iqx s GLU 243 N 5.91 0.13 0.00 4.56 4.04 -1.26 -4.90 118.70 127.17 3iqx s GLU 243 Ca 0.43 0.09 0.00 0.00 0.04 0.00 0.00 54.97 55.52 3iqx s GLU 243 Cb -0.09 0.06 0.00 0.00 0.02 0.00 0.00 34.13 34.12 3iqx s GLU 243 CO 0.17 -0.03 0.93 0.34 -1.84 0.00 0.00 175.26 174.84 3iqx n PHE 244 N 1.10 0.00 -0.06 4.83 7.35 -1.26 -1.18 117.46 128.24 3iqx n PHE 244 Ca -0.06 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 56.87 3iqx n PHE 244 Cb 0.58 -0.43 0.72 0.00 0.35 0.00 0.00 39.48 40.69 3iqx n PHE 244 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3iqx h LEU 245 N 0.00 0.00 -0.00 -2.13 3.38 -1.98 -1.84 115.31 112.74 3iqx h LEU 245 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3iqx h LEU 245 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3iqx h LEU 245 CO 0.00 0.00 -0.05 -1.28 0.09 0.00 0.00 178.44 177.20 3iqx h SER 246 N 0.00 0.05 0.52 -0.43 0.87 -1.42 -3.22 113.55 109.92 3iqx h SER 246 Ca 0.32 -0.76 -0.02 0.00 -1.23 0.00 0.00 61.79 60.09 3iqx h SER 246 Cb 1.34 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 3iqx h SER 246 CO -0.00 0.80 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.91 3iqx h LEU 247 N -0.70 0.00 -0.77 2.23 3.38 -1.12 0.02 115.31 118.35 3iqx h LEU 247 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iqx h LEU 247 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3iqx h LEU 247 CO 0.01 0.12 0.00 0.22 0.09 0.00 0.00 178.44 178.88 3iqx h TYR 248 N 0.00 0.00 0.00 1.13 3.20 -1.47 -1.79 116.97 118.05 3iqx h TYR 248 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3iqx h TYR 248 Cb 0.41 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.68 3iqx h TYR 248 CO 0.00 0.00 -0.20 1.49 -1.64 0.00 0.00 178.16 177.81 3iqx h GLU 249 N 0.00 0.00 -0.83 1.82 4.81 -1.05 -3.00 114.58 116.33 3iqx h GLU 249 Ca 0.00 0.00 0.35 0.00 -0.13 0.00 0.00 59.36 59.58 3iqx h GLU 249 Cb 0.55 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.79 3iqx h GLU 249 CO 0.00 0.00 0.45 2.41 -0.73 0.00 0.00 179.01 181.14 3iqx n THR 250 N -4.53 -0.34 0.03 0.32 -1.04 -1.01 0.40 114.28 108.11 3iqx n THR 250 Ca -0.03 1.67 -0.01 0.00 -2.04 0.00 0.00 64.05 63.63 3iqx n THR 250 Cb 0.11 -2.71 -0.01 0.00 -1.82 0.00 0.00 70.33 65.90 3iqx n THR 250 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3iqx h GLU 251 N 0.00 -0.08 -0.60 -2.82 5.08 -1.41 -0.72 114.58 114.02 3iqx h GLU 251 Ca 0.70 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 59.15 3iqx h GLU 251 Cb 1.86 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 31.02 3iqx h GLU 251 CO -0.63 -0.06 -0.46 -0.09 -1.00 0.00 0.00 179.01 176.77 3iqx h ARG 252 N -0.12 -0.22 -0.06 2.33 2.43 -0.58 -1.47 114.38 116.70 3iqx h ARG 252 Ca -0.01 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3iqx h ARG 252 Cb 0.07 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3iqx h ARG 252 CO 0.01 -0.15 -0.04 1.98 -1.51 0.00 0.00 179.97 180.27 3iqx h MET 253 N -0.23 -0.00 -1.18 0.20 4.05 -0.11 0.17 114.93 117.83 3iqx h MET 253 Ca 0.17 0.00 0.39 0.00 -0.28 0.00 0.00 59.70 59.98 3iqx h MET 253 Cb 0.56 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.22 3iqx h MET 253 CO -0.70 -0.00 0.73 0.82 0.23 0.00 0.00 176.91 177.99 3iqx h ILE 254 N -0.00 0.18 -0.10 1.77 2.04 -0.48 0.36 117.51 121.29 3iqx h ILE 254 Ca 0.01 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3iqx h ILE 254 Cb 0.03 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 3iqx h ILE 254 CO -0.06 0.03 -0.11 -0.61 0.00 0.00 0.00 178.15 177.40 3iqx h GLN 255 N 0.16 0.26 -0.30 2.37 5.75 0.17 -0.75 115.11 122.76 3iqx h GLN 255 Ca 0.78 -0.14 -0.10 0.00 -0.15 0.00 0.00 58.65 59.05 3iqx h GLN 255 Cb 2.23 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.78 3iqx h GLN 255 CO -0.49 0.68 -0.21 0.93 -2.65 0.00 0.00 178.83 177.08 3iqx h GLU 256 N -0.15 0.57 -0.72 1.69 4.39 0.21 0.21 114.58 120.78 3iqx h GLU 256 Ca 0.02 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.52 3iqx h GLU 256 Cb 0.64 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 3iqx h GLU 256 CO 0.03 0.75 0.48 -0.07 -1.16 0.00 0.00 179.01 179.03 3iqx h LEU 257 N 0.51 0.82 0.37 1.33 3.38 -0.36 0.23 115.31 121.59 3iqx h LEU 257 Ca 0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iqx h LEU 257 Cb 0.65 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3iqx h LEU 257 CO 0.05 0.59 -0.40 0.00 0.09 0.00 0.00 178.44 178.76 3iqx h ALA 258 N 1.27 -0.86 -0.39 1.53 0.00 -0.14 -1.54 119.26 119.13 3iqx h ALA 258 Ca 0.27 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3iqx h ALA 258 Cb -0.10 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3iqx h ALA 258 CO -0.06 -1.03 0.29 -0.91 0.00 0.00 0.00 179.25 177.54 3iqx h ASN 259 N -0.81 0.00 -0.55 0.00 2.35 0.73 -0.35 115.58 116.95 3iqx h ASN 259 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3iqx h ASN 259 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3iqx h ASN 259 CO -0.08 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.48 3iqx n TYR 260 N -4.32 0.72 -1.89 1.19 4.01 0.69 -4.94 117.16 112.63 3iqx n TYR 260 Ca 0.06 -0.36 -0.12 0.00 -0.16 0.00 0.00 57.90 57.32 3iqx n TYR 260 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.48 3iqx n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iqx n GLY 261 N 1.47 0.44 3.71 2.72 0.00 -0.14 -4.87 105.19 108.50 3iqx n GLY 261 Ca 0.20 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3iqx n GLY 261 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iqx s ILE 262 N -2.55 4.64 0.37 -0.61 1.01 -0.62 -4.59 121.20 118.86 3iqx s ILE 262 Ca 0.00 -0.11 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 3iqx s ILE 262 Cb 0.00 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.38 3iqx s ILE 262 CO 0.00 0.58 1.24 -0.62 0.00 0.00 0.00 174.94 176.14 3iqx s ASP 263 N -0.65 6.63 -0.28 3.58 -1.08 -1.26 -4.24 116.67 119.36 3iqx s ASP 263 Ca 0.11 2.52 -0.18 0.00 -0.52 0.00 0.00 52.55 54.48 3iqx s ASP 263 Cb -0.12 -2.63 0.11 0.00 -1.46 0.00 0.00 42.92 38.82 3iqx s ASP 263 CO 0.02 -0.62 0.85 0.28 0.52 0.00 0.00 175.17 176.23 3iqx s THR 264 N -1.26 0.00 0.00 1.71 -1.32 -1.26 -2.38 115.64 111.13 3iqx s THR 264 Ca 0.53 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.06 3iqx s THR 264 Cb -0.36 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.72 3iqx s THR 264 CO 0.46 0.00 0.92 0.00 -2.21 0.00 0.00 174.62 173.78 3iqx n HIS 265 N 3.62 0.00 -4.20 9.09 1.44 -1.25 -4.97 115.22 118.95 3iqx n HIS 265 Ca -0.18 -0.14 -0.17 0.00 -2.01 0.00 0.00 57.72 55.23 3iqx n HIS 265 Cb 0.58 0.05 -0.13 0.00 0.12 0.00 0.00 29.99 30.61 3iqx n HIS 265 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3iqx s ILE 267 N -0.98 0.40 -0.82 0.00 1.01 0.28 -1.91 121.20 119.17 3iqx s ILE 267 Ca -0.03 0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 3iqx s ILE 267 Cb -0.08 -0.59 0.15 0.00 0.01 0.00 0.00 42.46 41.95 3iqx s ILE 267 CO 0.01 0.22 0.94 -0.69 0.00 0.00 0.00 174.94 175.42 3iqx s VAL 268 N 1.96 4.96 -0.10 2.92 1.01 -0.20 0.14 120.40 131.10 3iqx s VAL 268 Ca 0.05 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.09 3iqx s VAL 268 Cb -0.13 -4.64 -0.02 0.00 0.00 0.00 0.00 36.38 31.60 3iqx s VAL 268 CO -0.06 -1.31 1.05 -0.69 0.00 0.00 0.00 175.10 174.10 3iqx s VAL 269 N 2.09 4.67 0.11 2.92 1.01 0.58 -2.47 120.40 129.32 3iqx s VAL 269 Ca 0.24 1.95 0.08 0.00 0.00 0.00 0.00 61.98 64.25 3iqx s VAL 269 Cb -0.11 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3iqx s VAL 269 CO -0.05 -0.00 -0.20 0.21 0.00 0.00 0.00 175.10 175.06 3iqx s ASN 270 N 1.18 2.48 0.00 3.32 2.47 0.29 -1.83 114.94 122.85 3iqx s ASN 270 Ca 0.50 -0.70 0.00 0.00 0.42 0.00 0.00 52.86 53.07 3iqx s ASN 270 Cb -0.19 -0.13 0.00 0.00 -1.45 0.00 0.00 41.25 39.47 3iqx s ASN 270 CO 0.18 0.03 0.00 0.00 -3.72 0.00 0.00 177.10 173.60 3iqx n GLN 271 N 1.00 0.00 -1.70 0.43 6.02 -0.87 -4.24 117.38 118.02 3iqx n GLN 271 Ca -0.19 0.35 -0.39 0.00 -0.01 0.00 0.00 57.00 56.76 3iqx n GLN 271 Cb 0.54 -2.98 0.04 0.00 1.02 0.00 0.00 30.24 28.86 3iqx n GLN 271 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3iqx n LEU 272 N 0.00 4.72 -4.21 1.08 4.77 -0.74 -4.26 117.00 118.36 3iqx n LEU 272 Ca 0.00 0.95 -0.35 0.00 -0.03 0.00 0.00 56.01 56.58 3iqx n LEU 272 Cb 0.03 -1.51 -0.14 0.00 -2.33 0.00 0.00 43.42 39.47 3iqx n LEU 272 CO 0.00 -0.97 -0.38 -0.22 -1.33 0.00 0.00 177.39 174.49 3iqx s LEU 273 N -2.72 3.47 -0.17 2.23 0.20 -1.26 -0.60 118.68 119.83 3iqx s LEU 273 Ca 0.71 -0.97 -0.05 0.00 0.69 0.00 0.00 54.13 54.51 3iqx s LEU 273 Cb -0.44 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 3iqx s LEU 273 CO 0.50 -0.17 -0.00 -0.36 -0.29 0.00 0.00 176.35 176.02 3iqx s PHE 274 N 1.32 3.09 0.37 5.38 0.08 -1.26 -4.55 117.98 122.41 3iqx s PHE 274 Ca -0.01 -0.24 -0.27 0.00 0.12 0.00 0.00 56.93 56.53 3iqx s PHE 274 Cb -0.18 -2.02 -0.09 0.00 -0.57 0.00 0.00 43.02 40.16 3iqx s PHE 274 CO -0.03 -0.04 1.28 -2.14 -0.10 0.00 0.00 175.22 174.20 3iqx s PRO 275 N 0.52 4.19 0.25 0.24 0.02 -1.26 -4.94 135.00 134.02 3iqx s PRO 275 Ca -0.01 2.13 -0.31 0.00 0.02 0.00 0.00 61.00 62.83 3iqx s PRO 275 Cb -0.14 -2.91 -0.13 0.00 0.02 0.00 0.00 34.50 31.34 3iqx s PRO 275 CO 0.02 -0.30 1.36 1.63 -0.33 0.00 0.00 177.00 179.38 3iqx n LYS 276 N 0.48 1.98 -2.04 5.54 5.02 -1.26 -4.88 118.16 122.99 3iqx n LYS 276 Ca 0.02 0.70 -0.38 0.00 -2.02 0.00 0.00 58.31 56.63 3iqx n LYS 276 Cb 0.43 -2.33 0.01 0.00 -0.02 0.00 0.00 35.03 33.12 3iqx n LYS 276 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3iqx s PRO 277 N -0.69 3.66 0.00 1.97 0.02 -1.26 -2.43 135.00 136.27 3iqx s PRO 277 Ca 0.66 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.74 3iqx s PRO 277 Cb -0.65 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3iqx s PRO 277 CO 0.52 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 3iqx n GLY 278 N 0.61 2.00 3.70 0.52 0.00 -1.26 -5.01 105.19 105.75 3iqx n GLY 278 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3iqx n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iqx s SER 279 N -2.35 6.68 -0.18 1.61 0.01 -1.02 -5.03 113.70 113.42 3iqx s SER 279 Ca 0.00 0.82 -0.08 0.00 1.31 0.00 0.00 55.95 58.00 3iqx s SER 279 Cb 0.00 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 3iqx s SER 279 CO 0.00 -0.09 0.07 1.51 0.41 0.00 0.00 173.24 175.14 3iqx s ASP 280 N 0.85 5.67 -0.33 2.44 1.47 -1.26 -4.91 116.67 120.59 3iqx s ASP 280 Ca 0.27 0.09 -0.01 0.00 1.18 0.00 0.00 52.55 54.08 3iqx s ASP 280 Cb -0.16 -1.97 0.19 0.00 -0.34 0.00 0.00 42.92 40.64 3iqx s ASP 280 CO 0.11 0.17 0.81 0.00 0.68 0.00 0.00 175.17 176.94 3iqx n GLU 282 N 4.73 -0.11 0.07 0.00 1.02 -1.26 -1.19 120.64 123.91 3iqx n GLU 282 Ca 0.08 0.62 -0.11 0.00 -0.02 0.00 0.00 57.16 57.72 3iqx n GLU 282 Cb 0.58 -0.92 -0.05 0.00 -0.02 0.00 0.00 31.44 31.03 3iqx n GLU 282 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3iqx h GLN 283 N 0.00 -0.38 -0.75 3.49 4.20 -1.98 0.19 115.11 119.88 3iqx h GLN 283 Ca 0.04 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.85 3iqx h GLN 283 Cb 0.10 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 3iqx h GLN 283 CO -0.23 -0.25 0.43 0.00 -0.67 0.00 0.00 178.83 178.11 3iqx h THR 285 N 0.76 0.00 -0.97 0.00 2.02 0.23 -0.35 112.91 114.60 3iqx h THR 285 Ca 0.34 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.80 3iqx h THR 285 Cb 0.24 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.48 3iqx h THR 285 CO -0.20 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.76 3iqx h ALA 286 N -1.55 1.22 -0.11 6.16 0.00 -0.59 0.23 119.26 124.62 3iqx h ALA 286 Ca -0.05 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3iqx h ALA 286 Cb 0.43 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3iqx h ALA 286 CO 0.04 -0.58 -0.08 0.00 0.00 0.00 0.00 179.25 178.63 3iqx h ARG 287 N 0.03 0.25 -0.82 0.00 3.08 -0.81 0.19 114.38 116.30 3iqx h ARG 287 Ca 0.60 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.59 3iqx h ARG 287 Cb 1.26 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.25 3iqx h ARG 287 CO -0.88 0.62 0.54 -0.09 -1.07 0.00 0.00 179.97 179.10 3iqx h ARG 288 N -0.12 0.88 0.25 0.04 1.12 0.18 0.36 114.38 117.10 3iqx h ARG 288 Ca 0.02 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 3iqx h ARG 288 Cb 0.56 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.31 3iqx h ARG 288 CO 0.02 0.59 -0.22 -0.09 -3.11 0.00 0.00 179.97 177.15 3iqx h ARG 289 N 0.91 -0.45 -0.97 0.20 2.43 0.01 0.10 114.38 116.62 3iqx h ARG 289 Ca 0.35 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.69 3iqx h ARG 289 Cb 0.22 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 3iqx h ARG 289 CO -0.12 -0.30 0.61 0.00 -1.51 0.00 0.00 179.97 178.65 3iqx h MET 290 N -0.46 0.84 0.30 0.20 -0.00 0.11 -2.38 114.93 113.54 3iqx h MET 290 Ca -0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.60 3iqx h MET 290 Cb 0.40 -0.19 0.00 0.00 -0.00 0.00 0.00 31.60 31.81 3iqx h MET 290 CO -0.01 0.56 -0.14 1.96 -0.00 0.00 0.00 176.91 179.27 3iqx h GLN 291 N 0.87 -0.38 -0.60 -0.10 4.20 -0.36 -3.30 115.11 115.44 3iqx h GLN 291 Ca 0.49 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.30 3iqx h GLN 291 Cb 0.61 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.40 3iqx h GLN 291 CO -0.26 -0.07 -0.30 1.17 -0.67 0.00 0.00 178.83 178.70 3iqx n LYS 292 N -5.05 -0.20 -0.40 1.46 0.00 0.02 -0.18 118.16 113.81 3iqx n LYS 292 Ca -0.08 0.91 -0.09 0.00 0.00 0.00 0.00 58.31 59.06 3iqx n LYS 292 Cb 0.25 -1.35 -0.06 0.00 0.00 0.00 0.00 35.03 33.86 3iqx n LYS 292 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 3iqx h LYS 293 N 0.00 -0.02 0.03 1.64 3.64 -1.52 0.95 116.57 121.29 3iqx h LYS 293 Ca 0.15 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3iqx h LYS 293 Cb 0.30 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 3iqx h LYS 293 CO -0.58 -0.01 -0.48 1.88 -2.27 0.00 0.00 179.45 177.99 3iqx h TYR 294 N -0.02 -1.37 -0.16 1.91 0.05 -0.66 -2.97 116.97 113.74 3iqx h TYR 294 Ca 0.20 0.04 0.03 0.00 0.05 0.00 0.00 58.73 59.05 3iqx h TYR 294 Cb 0.47 0.60 -0.05 0.00 1.01 0.00 0.00 36.73 38.75 3iqx h TYR 294 CO -0.97 -0.54 -0.44 1.25 -1.05 0.00 0.00 178.16 176.41 3iqx h LEU 295 N -0.64 -1.40 -0.93 3.88 6.46 -0.36 0.03 115.31 122.35 3iqx h LEU 295 Ca 0.03 0.17 0.27 0.00 -0.12 0.00 0.00 57.88 58.23 3iqx h LEU 295 Cb 0.70 0.55 -0.17 0.00 -0.73 0.00 0.00 40.66 41.01 3iqx h LEU 295 CO -0.32 -0.37 0.06 0.47 -0.62 0.00 0.00 178.44 177.66 3iqx n ASP 296 N -4.83 -0.07 0.13 1.25 8.00 0.21 0.02 116.55 121.26 3iqx n ASP 296 Ca -0.04 1.58 -0.07 0.00 0.71 0.00 0.00 54.79 56.97 3iqx n ASP 296 Cb 0.29 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 3iqx n ASP 296 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3iqx h GLN 297 N 0.00 -0.38 -0.94 -1.24 4.20 -0.89 -0.87 115.11 115.00 3iqx h GLN 297 Ca 0.58 0.03 0.17 0.00 0.06 0.00 0.00 58.65 59.49 3iqx h GLN 297 Cb 1.25 0.09 -0.17 0.00 0.30 0.00 0.00 27.48 28.94 3iqx h GLN 297 CO -0.86 -0.25 -0.28 -0.89 -0.67 0.00 0.00 178.83 175.88 3iqx n ILE 298 N -3.36 -0.43 0.08 2.54 2.08 0.10 0.10 119.36 120.47 3iqx n ILE 298 Ca -0.05 2.17 -0.12 0.00 0.56 0.00 0.00 62.75 65.31 3iqx n ILE 298 Cb 0.17 -2.95 -0.05 0.00 -0.75 0.00 0.00 39.64 36.06 3iqx n ILE 298 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3iqx h GLU 299 N 0.00 -0.44 0.09 0.38 4.39 -0.70 0.10 114.58 118.41 3iqx h GLU 299 Ca 0.41 0.03 0.02 0.00 0.34 0.00 0.00 59.36 60.16 3iqx h GLU 299 Cb 0.64 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 3iqx h GLU 299 CO -0.95 -0.29 -0.23 0.93 -1.16 0.00 0.00 179.01 177.30 3iqx h GLU 300 N -0.45 -0.40 -0.15 2.33 4.39 0.22 1.67 114.58 122.19 3iqx h GLU 300 Ca 0.05 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.81 3iqx h GLU 300 Cb 0.52 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 3iqx h GLU 300 CO -0.22 -0.27 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.23 3iqx h LEU 301 N -0.41 -0.21 -1.57 1.33 3.38 -1.06 -3.32 115.31 113.45 3iqx h LEU 301 Ca 0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3iqx h LEU 301 Cb 0.45 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3iqx h LEU 301 CO -0.15 -0.08 0.00 -1.22 0.09 0.00 0.00 178.44 177.08 3iqx n TYR 302 N -5.20 0.05 -0.30 1.13 4.01 0.35 -4.63 117.16 112.56 3iqx n TYR 302 Ca -0.03 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3iqx n TYR 302 Cb 0.13 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.23 3iqx n TYR 302 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3iqx h ASP 303 N 2.08 -1.04 0.63 7.72 3.58 0.24 -0.92 116.42 128.71 3iqx h ASP 303 Ca 0.00 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3iqx h ASP 303 Cb 0.47 0.60 0.00 0.00 1.72 0.00 0.00 39.33 42.12 3iqx h ASP 303 CO 0.00 -0.29 0.00 -0.62 -2.88 0.00 0.00 179.24 175.45 3iqx n GLU 304 N -5.51 0.16 0.00 0.28 1.02 -1.26 -3.19 120.64 112.14 3iqx n GLU 304 Ca 0.10 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3iqx n GLU 304 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3iqx n GLU 304 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3iqx n GLU 305 N -1.40 0.00 -4.48 3.49 0.28 -0.53 -4.42 120.64 113.59 3iqx n GLU 305 Ca 0.08 -0.07 -0.23 0.00 -0.16 0.00 0.00 57.16 56.78 3iqx n GLU 305 Cb 0.23 -0.42 -0.16 0.00 1.43 0.00 0.00 31.44 32.52 3iqx n GLU 305 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3iqx s PHE 306 N 0.00 1.22 -0.16 -1.84 0.08 -0.47 -4.79 117.98 112.02 3iqx s PHE 306 Ca 0.00 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.37 3iqx s PHE 306 Cb 0.00 -0.90 -0.05 0.00 -0.57 0.00 0.00 43.02 41.50 3iqx s PHE 306 CO 0.00 -0.20 1.96 -0.80 -0.10 0.00 0.00 175.22 176.08 3iqx s ASN 307 N 0.53 6.00 -0.55 1.36 -0.87 -0.52 -4.64 114.94 116.26 3iqx s ASN 307 Ca -0.10 1.99 -0.12 0.00 -1.57 0.00 0.00 52.86 53.06 3iqx s ASN 307 Cb -0.13 -2.52 0.14 0.00 -0.02 0.00 0.00 41.25 38.71 3iqx s ASN 307 CO 0.02 -1.51 0.46 -0.69 -2.57 0.00 0.00 177.10 172.81 3iqx s VAL 308 N 6.32 4.70 0.14 1.60 1.01 -1.26 0.99 120.40 133.91 3iqx s VAL 308 Ca 0.88 -1.84 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 3iqx s VAL 308 Cb -0.33 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 3iqx s VAL 308 CO 0.35 -0.85 0.52 -0.69 0.00 0.00 0.00 175.10 174.43 3iqx s VAL 309 N 1.21 4.91 -0.10 2.92 1.01 0.38 -4.55 120.40 126.18 3iqx s VAL 309 Ca 0.07 0.74 0.04 0.00 0.00 0.00 0.00 61.98 62.83 3iqx s VAL 309 Cb -0.25 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3iqx s VAL 309 CO -0.01 0.24 -0.22 -0.54 0.00 0.00 0.00 175.10 174.57 3iqx s LYS 310 N -1.97 2.88 -0.03 2.72 1.02 -1.26 -0.30 119.74 122.80 3iqx s LYS 310 Ca 0.37 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.57 3iqx s LYS 310 Cb -0.15 -2.20 -0.00 0.00 -0.52 0.00 0.00 37.83 34.96 3iqx s LYS 310 CO 0.19 0.15 -0.13 -1.64 -0.92 0.00 0.00 175.35 173.00 3iqx s MET 311 N 0.41 1.25 0.51 1.68 -1.94 -0.76 -4.53 119.30 115.93 3iqx s MET 311 Ca -0.18 -0.44 -0.19 0.00 -1.71 0.00 0.00 55.69 53.17 3iqx s MET 311 Cb -0.18 -1.15 -0.08 0.00 2.01 0.00 0.00 34.83 35.44 3iqx s MET 311 CO 0.08 0.20 1.02 -1.25 -0.01 0.00 0.00 175.02 175.06 3iqx s PRO 312 N 0.02 3.77 -0.28 2.03 0.04 -1.26 -1.80 135.00 137.53 3iqx s PRO 312 Ca -0.01 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 3iqx s PRO 312 Cb -0.09 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 3iqx s PRO 312 CO 0.01 -0.44 0.58 -1.17 0.04 0.00 0.00 177.00 176.02 3iqx s LEU 313 N -3.78 4.10 0.39 -3.56 2.96 0.23 -4.46 118.68 114.56 3iqx s LEU 313 Ca 0.64 0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 55.02 3iqx s LEU 313 Cb -0.14 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 3iqx s LEU 313 CO 0.25 -0.38 0.68 -0.76 -1.32 0.00 0.00 176.35 174.82 3iqx s LEU 314 N 2.46 3.86 0.09 -0.68 1.02 -1.26 -4.95 118.68 119.22 3iqx s LEU 314 Ca 0.24 0.84 -0.27 0.00 0.02 0.00 0.00 54.13 54.96 3iqx s LEU 314 Cb -0.15 -3.73 -0.14 0.00 0.02 0.00 0.00 46.19 42.19 3iqx s LEU 314 CO 0.10 -0.38 1.67 -0.37 0.02 0.00 0.00 176.35 177.39 3iqx h VAL 315 N 0.83 0.62 -2.66 -1.59 -1.51 -2.03 -3.45 116.25 106.47 3iqx h VAL 315 Ca -0.48 0.00 -0.47 0.00 -1.23 0.00 0.00 66.70 64.52 3iqx h VAL 315 Cb 1.20 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3iqx h VAL 315 CO 0.63 0.00 -0.25 -1.61 -1.23 0.00 0.00 177.57 175.12 3iqx s GLU 316 N -6.11 3.48 0.74 5.19 0.41 -1.26 -5.04 118.70 116.11 3iqx s GLU 316 Ca -0.15 -0.43 -0.15 0.00 -0.41 0.00 0.00 54.97 53.82 3iqx s GLU 316 Cb 0.06 -2.72 0.05 0.00 -1.78 0.00 0.00 34.13 29.74 3iqx s GLU 316 CO 0.65 0.22 1.25 -1.21 -0.49 0.00 0.00 175.26 175.67 3iqx s GLU 317 N -4.23 1.99 -0.96 1.61 8.01 -1.26 -4.90 118.70 118.96 3iqx s GLU 317 Ca 0.39 1.90 -0.19 0.00 0.01 0.00 0.00 54.97 57.08 3iqx s GLU 317 Cb -0.09 -1.80 0.13 0.00 -4.31 0.00 0.00 34.13 28.05 3iqx s GLU 317 CO 0.34 -1.98 1.18 0.08 0.01 0.00 0.00 175.26 174.89 3iqx s VAL 318 N -1.82 4.67 0.18 2.63 1.01 -1.26 -5.00 120.40 120.81 3iqx s VAL 318 Ca 0.77 -1.57 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3iqx s VAL 318 Cb -0.33 -4.82 -0.05 0.00 0.00 0.00 0.00 36.38 31.19 3iqx s VAL 318 CO 0.46 -1.56 -0.04 -0.13 0.00 0.00 0.00 175.10 173.83 3iqx s ARG 319 N 2.85 1.16 0.00 2.72 0.52 -1.26 -4.83 118.95 120.11 3iqx s ARG 319 Ca 0.35 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 3iqx s ARG 319 Cb -0.04 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 34.90 3iqx s ARG 319 CO -0.09 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.61 3iqx n GLY 320 N -0.28 -1.17 0.15 -3.53 0.00 -0.72 -3.70 105.19 95.94 3iqx n GLY 320 Ca -0.08 -1.34 -0.07 0.00 0.00 0.00 0.00 46.02 44.53 3iqx n GLY 320 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iqx h LYS 321 N 0.00 0.29 0.29 1.61 3.64 -1.84 0.73 116.57 121.30 3iqx h LYS 321 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3iqx h LYS 321 Cb 0.00 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3iqx h LYS 321 CO 0.00 0.19 -0.38 1.49 -2.27 0.00 0.00 179.45 178.48 3iqx h GLU 322 N 0.30 -0.70 -0.90 1.90 4.81 -1.99 0.17 114.58 118.18 3iqx h GLU 322 Ca 0.14 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3iqx h GLU 322 Cb 0.08 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3iqx h GLU 322 CO -0.11 -0.47 0.59 0.00 -0.73 0.00 0.00 179.01 178.29 3iqx h ARG 323 N -0.73 1.20 -0.33 1.92 3.08 -1.55 -2.14 114.38 115.83 3iqx h ARG 323 Ca -0.01 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 3iqx h ARG 323 Cb 0.68 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3iqx h ARG 323 CO -0.12 0.80 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.24 3iqx h LEU 324 N 1.23 0.70 0.31 3.04 3.38 0.09 -2.29 115.31 121.76 3iqx h LEU 324 Ca 0.33 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iqx h LEU 324 Cb -0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3iqx h LEU 324 CO -0.07 0.94 -0.49 -0.33 0.09 0.00 0.00 178.44 178.57 3iqx h GLU 325 N 0.59 -0.82 -0.12 1.13 5.08 -0.02 0.12 114.58 120.53 3iqx h GLU 325 Ca 0.08 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3iqx h GLU 325 Cb 0.77 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 3iqx h GLU 325 CO 0.06 -0.54 -0.18 0.87 -1.00 0.00 0.00 179.01 178.22 3iqx h LYS 326 N -0.85 -0.13 -0.91 2.33 1.57 -1.34 0.66 116.57 117.89 3iqx h LYS 326 Ca -0.03 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 3iqx h LYS 326 Cb 0.78 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 33.00 3iqx h LYS 326 CO -0.16 -0.09 -0.47 0.34 -0.57 0.00 0.00 179.45 178.50 3iqx n PHE 327 N -3.56 -0.24 -0.10 -1.35 7.35 -0.88 -0.12 117.46 118.56 3iqx n PHE 327 Ca -0.01 1.14 0.25 0.00 -0.76 0.00 0.00 57.45 58.07 3iqx n PHE 327 Cb 0.11 -0.67 0.72 0.00 0.35 0.00 0.00 39.48 39.99 3iqx n PHE 327 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3iqx h SER 328 N 0.00 0.00 -0.44 -2.13 4.64 0.16 0.85 113.55 116.63 3iqx h SER 328 Ca 0.21 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.62 3iqx h SER 328 Cb 0.44 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.44 3iqx h SER 328 CO -0.88 0.00 -0.20 -0.33 -0.87 0.00 0.00 176.83 174.56 3iqx h GLU 329 N 0.00 -0.10 -0.14 4.77 4.39 -0.06 -0.02 114.58 123.42 3iqx h GLU 329 Ca 0.35 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.10 3iqx h GLU 329 Cb 1.46 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.13 3iqx h GLU 329 CO -0.00 -0.07 0.13 0.52 -1.16 0.00 0.00 179.01 178.43 3iqx h MET 330 N -0.11 0.00 -0.81 2.33 2.86 -0.91 0.59 114.93 118.89 3iqx h MET 330 Ca 0.21 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.94 3iqx h MET 330 Cb 0.43 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 3iqx h MET 330 CO -0.51 0.00 0.53 1.25 1.06 0.00 0.00 176.91 179.24 3iqx h LEU 331 N 0.00 0.71 0.00 1.22 5.85 -1.06 -3.16 115.31 118.87 3iqx h LEU 331 Ca 0.07 0.01 -0.36 0.00 0.84 0.00 0.00 57.88 58.44 3iqx h LEU 331 Cb 0.33 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 3iqx h LEU 331 CO -0.00 0.43 -2.30 -0.38 -0.34 0.00 0.00 178.44 175.85 3iqx n ILE 332 N -4.50 1.45 -3.74 4.05 2.08 0.19 -2.51 119.36 116.37 3iqx n ILE 332 Ca 0.13 -0.80 -0.27 0.00 0.56 0.00 0.00 62.75 62.36 3iqx n ILE 332 Cb 0.29 -0.72 -0.17 0.00 -0.75 0.00 0.00 39.64 38.30 3iqx n ILE 332 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3iqx s LYS 333 N -2.51 0.67 -0.22 0.38 1.02 -0.20 -4.61 119.74 114.26 3iqx s LYS 333 Ca -0.13 -0.40 -0.43 0.00 0.02 0.00 0.00 55.97 55.03 3iqx s LYS 333 Cb 0.07 -2.06 -0.19 0.00 -0.52 0.00 0.00 37.83 35.13 3iqx s LYS 333 CO 0.79 -0.62 1.37 -2.30 -0.92 0.00 0.00 175.35 173.68 3iqx n PRO 334 N 5.05 0.21 -1.81 -1.68 -0.02 -1.25 -4.40 135.00 131.10 3iqx n PRO 334 Ca -0.09 0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 61.05 3iqx n PRO 334 Cb 0.47 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 3iqx n PRO 334 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3iqx s PHE 335 N 1.59 2.05 -0.38 6.00 5.36 -1.26 -4.92 117.98 126.42 3iqx s PHE 335 Ca 0.97 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.98 3iqx s PHE 335 Cb -1.32 -4.09 0.15 0.00 -0.34 0.00 0.00 43.02 37.43 3iqx s PHE 335 CO 0.67 -4.56 0.28 0.14 -1.46 0.00 0.00 175.22 170.29 3iqx s VAL 336 N 3.19 0.14 -0.04 3.12 -7.23 -1.26 -4.99 120.40 113.34 3iqx s VAL 336 Ca 0.79 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.97 3iqx s VAL 336 Cb -0.42 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 3iqx s VAL 336 CO 0.35 -1.02 0.15 -2.16 -0.31 0.00 0.00 175.10 172.10 3iqx s PRO 337 N 0.75 3.35 0.00 4.82 0.04 -1.26 -5.30 135.00 137.40 3iqx s PRO 337 Ca 0.23 -0.31 0.27 0.00 0.04 0.00 0.00 61.00 61.23 3iqx s PRO 337 Cb -0.13 -3.06 0.83 0.00 0.04 0.00 0.00 34.50 32.19 3iqx s PRO 337 CO -0.07 0.70 1.62 -2.30 0.04 0.00 0.00 177.00 176.99