#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqf s VAL 3 N 0.00 4.30 0.21 2.28 1.01 -1.26 -4.64 120.40 122.29 3iqf s VAL 3 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 3iqf s VAL 3 Cb 0.00 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.29 3iqf s VAL 3 CO 0.00 0.34 0.86 0.00 0.00 0.00 0.00 175.10 176.30 3iqf s ALA 4 N 1.60 3.39 -0.01 5.51 0.00 0.31 -4.93 121.76 127.64 3iqf s ALA 4 Ca 0.06 0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.59 3iqf s ALA 4 Cb -0.15 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3iqf s ALA 4 CO 0.03 0.25 -0.23 0.15 0.00 0.00 0.00 175.76 175.96 3iqf s LYS 5 N -1.18 1.81 -0.07 0.00 1.02 -1.26 -1.13 119.74 118.93 3iqf s LYS 5 Ca 0.39 -0.86 -0.18 0.00 0.02 0.00 0.00 55.97 55.33 3iqf s LYS 5 Cb -0.24 -1.79 0.04 0.00 -0.52 0.00 0.00 37.83 35.31 3iqf s LYS 5 CO 0.29 0.49 0.42 0.00 -0.92 0.00 0.00 175.35 175.62 3iqf s ALA 6 N -0.59 -1.06 -0.12 5.17 0.00 -1.05 0.06 121.76 124.18 3iqf s ALA 6 Ca 0.09 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 3iqf s ALA 6 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3iqf s ALA 6 CO -0.00 -0.26 -0.03 0.42 0.00 0.00 0.00 175.76 175.88 3iqf s ILE 7 N -0.81 4.00 -0.16 0.00 1.01 -1.06 -1.78 121.20 122.39 3iqf s ILE 7 Ca -0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 3iqf s ILE 7 Cb -0.04 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 3iqf s ILE 7 CO 0.04 0.54 -0.02 -0.36 0.00 0.00 0.00 174.94 175.14 3iqf s PHE 8 N -0.19 3.06 -0.16 3.97 0.40 0.91 -0.58 117.98 125.38 3iqf s PHE 8 Ca 0.04 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.09 3iqf s PHE 8 Cb -0.13 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.40 3iqf s PHE 8 CO 0.02 -0.02 -0.08 0.42 0.70 0.00 0.00 175.22 176.26 3iqf s ILE 9 N 0.41 3.32 -0.24 0.64 1.01 0.18 -0.87 121.20 125.65 3iqf s ILE 9 Ca -0.03 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3iqf s ILE 9 Cb -0.14 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 39.94 3iqf s ILE 9 CO 0.02 0.49 -0.10 -0.54 0.00 0.00 0.00 174.94 174.81 3iqf s LYS 10 N 0.72 2.09 -0.07 2.79 1.02 -0.03 -1.02 119.74 125.24 3iqf s LYS 10 Ca -0.04 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 54.83 3iqf s LYS 10 Cb -0.15 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3iqf s LYS 10 CO 0.02 -0.53 -0.10 0.00 -0.92 0.00 0.00 175.35 173.82 3iqf n GLY 12 N 4.06 -1.99 2.83 0.00 0.00 -0.24 -4.17 105.19 105.69 3iqf n GLY 12 Ca -0.21 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 3iqf n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iqf s ASN 13 N -3.87 0.01 0.08 1.61 2.47 -1.26 -4.61 114.94 109.37 3iqf s ASN 13 Ca 0.00 0.07 0.05 0.00 0.42 0.00 0.00 52.86 53.40 3iqf s ASN 13 Cb 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 41.25 39.77 3iqf s ASN 13 CO 0.00 -0.08 -0.13 -0.22 -3.72 0.00 0.00 177.10 172.94 3iqf s LEU 14 N 0.68 2.30 0.30 3.21 2.96 -1.26 -4.59 118.68 122.28 3iqf s LEU 14 Ca -0.06 -0.65 0.03 0.00 -0.22 0.00 0.00 54.13 53.23 3iqf s LEU 14 Cb -0.08 -0.47 0.63 0.00 0.50 0.00 0.00 46.19 46.77 3iqf s LEU 14 CO -0.02 -0.12 1.83 1.23 -1.32 0.00 0.00 176.35 177.96 3iqf h GLY 15 N 4.14 1.60 1.22 7.98 0.00 -1.94 -1.25 103.07 114.82 3iqf h GLY 15 Ca -0.40 -0.40 -0.23 0.00 0.00 0.00 0.00 47.33 46.30 3iqf h GLY 15 CO 0.43 0.11 -0.85 -0.84 0.00 0.00 0.00 176.54 175.39 3iqf h THR 16 N 0.91 1.28 0.00 4.70 2.02 -1.97 -3.01 112.91 116.85 3iqf h THR 16 Ca 0.50 -2.06 -0.14 0.00 0.77 0.00 0.00 66.41 65.49 3iqf h THR 16 Cb 0.59 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 3iqf h THR 16 CO -0.27 0.65 -0.66 0.77 0.37 0.00 0.00 175.52 176.38 3iqf h SER 17 N 0.49 0.00 -0.91 4.18 4.64 -1.87 0.52 113.55 120.60 3iqf h SER 17 Ca -0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3iqf h SER 17 Cb 1.48 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.53 3iqf h SER 17 CO 0.17 0.66 0.56 -0.03 -0.87 0.00 0.00 176.83 177.32 3iqf h MET 18 N 0.00 1.23 0.00 4.77 -1.53 -1.21 -3.27 114.93 114.92 3iqf h MET 18 Ca -0.01 -0.10 0.00 0.00 -3.44 0.00 0.00 59.70 56.15 3iqf h MET 18 Cb 1.27 -0.26 0.00 0.00 -0.55 0.00 0.00 31.60 32.05 3iqf h MET 18 CO 0.09 0.85 -1.06 -1.33 0.14 0.00 0.00 176.91 175.60 3iqf n MET 19 N -4.36 1.01 -0.20 0.39 2.81 -1.04 -4.78 117.12 110.93 3iqf n MET 19 Ca 0.10 -0.04 0.01 0.00 -1.81 0.00 0.00 57.70 55.97 3iqf n MET 19 Cb 0.05 -1.36 0.11 0.00 -0.71 0.00 0.00 33.22 31.32 3iqf n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iqf h MET 20 N 0.00 0.24 -0.34 0.03 -0.00 -0.95 -1.71 114.93 112.19 3iqf h MET 20 Ca 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.70 59.53 3iqf h MET 20 Cb 0.51 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.05 3iqf h MET 20 CO 0.00 0.16 -0.40 0.38 -0.00 0.00 0.00 176.91 177.05 3iqf h ASP 21 N 0.25 0.89 0.90 -0.10 2.03 -1.86 -3.23 116.42 115.29 3iqf h ASP 21 Ca 0.32 -0.41 -0.06 0.00 -0.73 0.00 0.00 57.03 56.16 3iqf h ASP 21 Cb 0.49 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 3iqf h ASP 21 CO -0.42 1.18 -0.27 0.24 -1.03 0.00 0.00 179.24 178.94 3iqf h MET 22 N 0.68 0.00 0.00 4.15 2.86 -1.66 -2.02 114.93 118.94 3iqf h MET 22 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3iqf h MET 22 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 3iqf h MET 22 CO 0.09 0.27 0.00 -0.07 1.06 0.00 0.00 176.91 178.26 3iqf h LEU 23 N 0.00 0.00 0.00 1.22 3.38 -1.42 -2.84 115.31 115.65 3iqf h LEU 23 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqf h LEU 23 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3iqf h LEU 23 CO 0.03 0.00 -0.65 0.18 0.09 0.00 0.00 178.44 178.09 3iqf n LEU 24 N -2.79 0.63 -2.89 1.67 4.77 -0.76 -4.59 117.00 113.04 3iqf n LEU 24 Ca -0.00 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 3iqf n LEU 24 Cb 0.20 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3iqf n LEU 24 CO 0.22 0.00 0.08 -0.67 -1.33 0.00 0.00 177.39 175.69 3iqf n ASP 25 N -1.95 -1.60 0.29 -1.43 2.03 -1.08 -4.99 116.55 107.83 3iqf n ASP 25 Ca 0.04 -3.26 0.17 0.00 0.52 0.00 0.00 54.79 52.25 3iqf n ASP 25 Cb 0.41 1.03 0.84 0.00 -0.72 0.00 0.00 41.12 42.68 3iqf n ASP 25 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3iqf h GLU 26 N 3.56 0.00 -0.02 -0.67 9.09 -1.80 -1.40 114.58 123.33 3iqf h GLU 26 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 3iqf h GLU 26 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.11 3iqf h GLU 26 CO 0.32 0.05 0.00 0.54 0.05 0.00 0.00 179.01 179.97 3iqf n ARG 27 N -3.27 2.56 -1.79 1.06 1.74 -1.26 -5.00 116.66 110.70 3iqf n ARG 27 Ca -0.01 -1.82 -0.20 0.00 -0.77 0.00 0.00 57.85 55.05 3iqf n ARG 27 Cb 0.23 -1.15 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 3iqf n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iqf n ALA 28 N -0.69 -0.39 0.07 7.54 0.00 -0.53 -4.87 120.51 121.64 3iqf n ALA 28 Ca 0.05 0.27 0.08 0.00 0.00 0.00 0.00 53.44 53.84 3iqf n ALA 28 Cb 0.37 -1.98 0.16 0.00 0.00 0.00 0.00 19.45 18.00 3iqf n ALA 28 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iqf n ASP 29 N -1.42 2.93 -4.72 0.00 5.75 -1.26 -4.95 116.55 112.87 3iqf n ASP 29 Ca -0.20 -1.87 -0.42 0.00 -0.01 0.00 0.00 54.79 52.29 3iqf n ASP 29 Cb 0.65 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 40.50 3iqf n ASP 29 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3iqf s ARG 30 N -1.10 4.46 0.00 0.11 0.52 -1.26 -4.36 118.95 117.32 3iqf s ARG 30 Ca 0.27 1.82 0.23 0.00 -0.52 0.00 0.00 55.73 57.53 3iqf s ARG 30 Cb 0.15 -3.30 0.07 0.00 0.52 0.00 0.00 34.95 32.39 3iqf s ARG 30 CO 0.21 -0.18 1.14 0.39 0.02 0.00 0.00 175.30 176.88 3iqf n GLU 31 N 3.32 1.24 -0.19 3.54 1.02 0.55 -4.42 120.64 125.70 3iqf n GLU 31 Ca 0.07 -1.01 0.09 0.00 -0.02 0.00 0.00 57.16 56.29 3iqf n GLU 31 Cb 0.46 -1.48 0.19 0.00 -0.02 0.00 0.00 31.44 30.58 3iqf n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3iqf n ASP 32 N -0.00 3.15 -4.02 1.62 3.85 -1.26 -4.77 116.55 115.12 3iqf n ASP 32 Ca 0.10 -1.92 -0.11 0.00 -0.71 0.00 0.00 54.79 52.15 3iqf n ASP 32 Cb 0.47 -0.25 -0.11 0.00 -1.35 0.00 0.00 41.12 39.87 3iqf n ASP 32 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3iqf s VAL 33 N -1.15 0.31 -0.09 2.12 -7.23 -1.26 -0.53 120.40 112.58 3iqf s VAL 33 Ca 0.32 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.43 3iqf s VAL 33 Cb 0.18 -0.46 0.04 0.00 0.56 0.00 0.00 36.38 36.70 3iqf s VAL 33 CO 0.24 -0.46 0.18 -0.70 -0.31 0.00 0.00 175.10 174.05 3iqf s GLU 34 N -1.59 0.11 0.14 4.82 2.12 -0.28 -4.91 118.70 119.12 3iqf s GLU 34 Ca -0.13 0.49 0.11 0.00 0.36 0.00 0.00 54.97 55.80 3iqf s GLU 34 Cb -0.09 -0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.08 3iqf s GLU 34 CO -0.01 -0.20 -0.26 -0.06 -0.54 0.00 0.00 175.26 174.19 3iqf s PHE 35 N 1.54 2.29 0.00 5.30 2.99 -1.26 -2.52 117.98 126.32 3iqf s PHE 35 Ca -0.06 -0.38 0.08 0.00 0.00 0.00 0.00 56.93 56.57 3iqf s PHE 35 Cb -0.11 -1.22 -0.02 0.00 0.00 0.00 0.00 43.02 41.67 3iqf s PHE 35 CO -0.07 0.37 -0.24 1.03 -0.00 0.00 0.00 175.22 176.31 3iqf s ARG 36 N -2.20 1.84 -0.10 0.44 1.81 -0.74 -4.99 118.95 115.01 3iqf s ARG 36 Ca 0.15 -0.93 0.02 0.00 -1.72 0.00 0.00 55.73 53.26 3iqf s ARG 36 Cb -0.09 -1.85 0.01 0.00 -0.45 0.00 0.00 34.95 32.56 3iqf s ARG 36 CO 0.07 0.50 -0.17 0.08 -0.68 0.00 0.00 175.30 175.10 3iqf s VAL 37 N -0.65 1.55 0.05 3.52 1.01 -1.26 -0.06 120.40 124.56 3iqf s VAL 37 Ca 0.10 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3iqf s VAL 37 Cb -0.09 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3iqf s VAL 37 CO 0.00 0.45 -0.05 0.68 0.00 0.00 0.00 175.10 176.18 3iqf s VAL 38 N 0.78 0.35 -0.03 2.92 -7.23 -0.05 -4.96 120.40 112.17 3iqf s VAL 38 Ca -0.11 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 3iqf s VAL 38 Cb -0.16 -1.14 0.11 0.00 0.56 0.00 0.00 36.38 35.75 3iqf s VAL 38 CO 0.02 -0.77 1.32 -0.83 -0.31 0.00 0.00 175.10 174.52 3iqf s GLY 39 N -2.42 -0.26 -0.19 2.32 0.00 -1.26 -0.85 107.32 104.65 3iqf s GLY 39 Ca 0.00 0.35 0.13 0.00 0.00 0.00 0.00 44.72 45.21 3iqf s GLY 39 CO -0.05 3.53 1.23 -1.30 0.00 0.00 0.00 173.10 176.51 3iqf n THR 40 N -0.75 2.15 -2.93 0.90 -2.24 -1.11 -4.93 114.28 105.37 3iqf n THR 40 Ca -0.01 -2.88 0.00 0.00 -2.27 0.00 0.00 64.05 58.89 3iqf n THR 40 Cb 0.60 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3iqf n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iqf n SER 41 N -1.19 0.00 0.17 3.42 2.88 -1.26 -3.04 113.62 114.60 3iqf n SER 41 Ca 0.20 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.87 3iqf n SER 41 Cb 0.72 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.64 3iqf n SER 41 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3iqf h VAL 42 N 0.00 0.00 -3.30 2.46 -1.51 -1.91 -0.61 116.25 111.38 3iqf h VAL 42 Ca 0.00 -0.46 -0.56 0.00 -1.23 0.00 0.00 66.70 64.46 3iqf h VAL 42 Cb 0.00 1.35 -0.04 0.00 -2.13 0.00 0.00 31.29 30.47 3iqf h VAL 42 CO 0.00 0.00 0.46 -0.54 -1.23 0.00 0.00 177.57 176.26 3iqf s LYS 43 N -3.32 4.43 -0.05 5.19 1.02 -1.17 -3.32 119.74 122.53 3iqf s LYS 43 Ca 0.06 1.30 0.14 0.00 0.02 0.00 0.00 55.97 57.48 3iqf s LYS 43 Cb 0.09 -3.52 0.26 0.00 -0.52 0.00 0.00 37.83 34.14 3iqf s LYS 43 CO 0.52 -0.24 1.12 0.00 -0.92 0.00 0.00 175.35 175.82 3iqf n MET 44 N 4.74 0.40 -1.47 1.68 0.00 -1.26 -4.00 117.12 117.21 3iqf n MET 44 Ca 0.07 -1.92 -0.32 0.00 0.00 0.00 0.00 57.70 55.53 3iqf n MET 44 Cb 0.49 -0.60 0.07 0.00 0.00 0.00 0.00 33.22 33.18 3iqf n MET 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3iqf s ASP 45 N -1.95 4.78 0.33 3.17 -4.77 -1.26 -3.78 116.67 113.18 3iqf s ASP 45 Ca 0.23 1.88 0.10 0.00 -3.30 0.00 0.00 52.55 51.46 3iqf s ASP 45 Cb 0.24 -2.53 0.86 0.00 -1.09 0.00 0.00 42.92 40.40 3iqf s ASP 45 CO -0.07 -1.85 1.77 -0.65 0.70 0.00 0.00 175.17 175.07 3iqf h PRO 46 N -0.66 0.61 -0.30 2.11 0.11 -1.86 -0.58 132.00 131.43 3iqf h PRO 46 Ca -0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3iqf h PRO 46 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3iqf h PRO 46 CO 0.53 0.41 -0.11 0.93 -0.21 0.00 0.00 178.00 179.55 3iqf h GLU 47 N 0.63 0.61 -0.28 1.05 3.07 -1.96 -0.42 114.58 117.29 3iqf h GLU 47 Ca 0.59 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.36 59.15 3iqf h GLU 47 Cb 1.10 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 3iqf h GLU 47 CO -0.37 0.81 -0.04 0.00 -1.40 0.00 0.00 179.01 178.01 3iqf h VAL 49 N 0.28 1.25 -0.68 0.00 2.07 -1.10 0.29 116.25 118.36 3iqf h VAL 49 Ca 0.07 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.72 3iqf h VAL 49 Cb 0.50 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3iqf h VAL 49 CO 0.02 0.35 0.38 -0.08 0.02 0.00 0.00 177.57 178.26 3iqf h GLU 50 N 0.86 0.67 -0.62 1.57 4.81 -1.05 0.02 114.58 120.84 3iqf h GLU 50 Ca 0.18 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3iqf h GLU 50 Cb 0.38 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3iqf h GLU 50 CO 0.01 0.44 0.11 0.00 -0.73 0.00 0.00 179.01 178.83 3iqf h ALA 51 N 1.36 1.01 -0.30 2.92 0.00 -1.00 -0.06 119.26 123.20 3iqf h ALA 51 Ca 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3iqf h ALA 51 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3iqf h ALA 51 CO -0.19 0.63 0.15 0.00 0.00 0.00 0.00 179.25 179.84 3iqf h ALA 52 N 1.16 0.39 -0.17 0.00 0.00 -0.30 -1.45 119.26 118.90 3iqf h ALA 52 Ca 0.19 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3iqf h ALA 52 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3iqf h ALA 52 CO 0.01 -0.06 -0.51 0.28 0.00 0.00 0.00 179.25 178.97 3iqf h VAL 53 N 0.36 1.33 -0.55 0.00 2.07 -0.89 -2.13 116.25 116.43 3iqf h VAL 53 Ca 0.11 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 3iqf h VAL 53 Cb 0.10 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3iqf h VAL 53 CO -0.01 0.54 0.22 -0.33 0.02 0.00 0.00 177.57 178.01 3iqf h GLU 54 N 0.36 0.82 -0.40 1.57 5.08 -0.92 -0.81 114.58 120.29 3iqf h GLU 54 Ca 0.01 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3iqf h GLU 54 Cb 1.02 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 3iqf h GLU 54 CO 0.09 0.71 0.03 0.52 -1.00 0.00 0.00 179.01 179.37 3iqf h MET 55 N 0.75 0.14 -0.10 2.33 2.86 -0.95 0.13 114.93 120.10 3iqf h MET 55 Ca 0.18 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 3iqf h MET 55 Cb 0.19 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 3iqf h MET 55 CO -0.02 0.09 -0.06 0.00 1.06 0.00 0.00 176.91 177.99 3iqf h ALA 56 N 1.33 0.03 -0.15 6.32 0.00 -1.10 -0.76 119.26 124.93 3iqf h ALA 56 Ca 0.19 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3iqf h ALA 56 Cb 0.26 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3iqf h ALA 56 CO -0.30 -0.52 -0.35 -0.07 0.00 0.00 0.00 179.25 178.02 3iqf h LEU 57 N -0.06 0.31 -0.06 0.00 3.38 -0.89 0.82 115.31 118.81 3iqf h LEU 57 Ca 0.06 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3iqf h LEU 57 Cb 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3iqf h LEU 57 CO -0.14 0.64 0.02 -0.78 0.09 0.00 0.00 178.44 178.28 3iqf h ASP 58 N 0.26 0.08 -0.49 -0.43 3.58 -0.42 -2.70 116.42 116.31 3iqf h ASP 58 Ca 0.03 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 3iqf h ASP 58 Cb 0.75 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 3iqf h ASP 58 CO 0.06 0.22 0.21 0.40 -2.88 0.00 0.00 179.24 177.25 3iqf h ILE 59 N -0.06 1.19 -0.20 2.25 2.04 -0.82 -2.97 117.51 118.94 3iqf h ILE 59 Ca 0.02 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3iqf h ILE 59 Cb 0.16 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3iqf h ILE 59 CO -0.00 0.24 0.08 0.00 0.00 0.00 0.00 178.15 178.47 3iqf h ALA 60 N 1.48 1.78 -0.57 1.87 0.00 -0.53 0.28 119.26 123.58 3iqf h ALA 60 Ca 0.18 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.15 3iqf h ALA 60 Cb 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 3iqf h ALA 60 CO -0.02 0.18 0.01 0.93 0.00 0.00 0.00 179.25 180.36 3iqf h GLU 61 N 0.27 0.13 0.03 0.00 5.08 -1.34 0.99 114.58 119.74 3iqf h GLU 61 Ca 0.07 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.09 3iqf h GLU 61 Cb 0.05 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3iqf h GLU 61 CO -0.01 0.08 -2.01 -0.25 -1.00 0.00 0.00 179.01 175.83 3iqf n ASP 62 N -5.25 1.14 -0.05 1.42 8.00 -0.96 -4.43 116.55 116.43 3iqf n ASP 62 Ca 0.07 0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.64 3iqf n ASP 62 Cb 0.32 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 3iqf n ASP 62 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3iqf h PHE 63 N 0.02 0.92 -4.83 1.24 3.57 -0.84 -3.48 116.94 113.54 3iqf h PHE 63 Ca -0.41 -0.36 -0.20 0.00 3.53 0.00 0.00 57.97 60.53 3iqf h PHE 63 Cb 2.05 -0.16 0.15 0.00 2.79 0.00 0.00 35.95 40.78 3iqf h PHE 63 CO 0.02 1.16 -0.64 0.39 -2.23 0.00 0.00 178.31 177.02 3iqf n GLU 64 N -4.11 -2.18 -2.23 1.11 1.02 0.33 -4.99 120.64 109.60 3iqf n GLU 64 Ca -0.06 0.65 -0.36 0.00 -0.02 0.00 0.00 57.16 57.37 3iqf n GLU 64 Cb 0.62 -4.80 0.00 0.00 -0.02 0.00 0.00 31.44 27.24 3iqf n GLU 64 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3iqf s PRO 65 N -4.19 3.40 0.17 3.49 0.04 -1.26 -4.83 135.00 131.82 3iqf s PRO 65 Ca 0.29 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.09 3iqf s PRO 65 Cb -0.04 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3iqf s PRO 65 CO 0.55 -0.83 1.38 -0.44 0.04 0.00 0.00 177.00 177.71 3iqf h ASP 66 N 1.36 0.02 -5.17 6.66 5.19 -0.75 -3.47 116.42 120.25 3iqf h ASP 66 Ca -0.50 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.87 3iqf h ASP 66 Cb 1.26 -0.01 -0.09 0.00 0.18 0.00 0.00 39.33 40.68 3iqf h ASP 66 CO 0.57 0.89 -0.04 0.72 -3.12 0.00 0.00 179.24 178.27 3iqf s PHE 67 N -3.00 0.16 -0.02 4.55 -0.12 -1.18 -4.26 117.98 114.12 3iqf s PHE 67 Ca 0.00 -0.53 0.04 0.00 -0.05 0.00 0.00 56.93 56.39 3iqf s PHE 67 Cb 0.11 0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 3iqf s PHE 67 CO 0.80 -1.00 -0.15 0.42 -0.05 0.00 0.00 175.22 175.25 3iqf s ILE 68 N -3.96 1.22 -0.10 -4.49 1.01 0.24 -2.57 121.20 112.55 3iqf s ILE 68 Ca 0.17 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.21 3iqf s ILE 68 Cb -0.01 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3iqf s ILE 68 CO 0.05 0.35 -0.20 -0.69 0.00 0.00 0.00 174.94 174.45 3iqf s VAL 69 N -0.19 2.47 -0.16 2.92 1.01 0.25 -1.35 120.40 125.35 3iqf s VAL 69 Ca 0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3iqf s VAL 69 Cb -0.08 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 3iqf s VAL 69 CO 0.00 0.55 -0.13 -0.47 0.00 0.00 0.00 175.10 175.06 3iqf s TYR 70 N 0.15 2.83 -0.06 5.22 6.14 -0.16 0.48 117.35 131.94 3iqf s TYR 70 Ca -0.11 -0.97 0.03 0.00 0.64 0.00 0.00 57.07 56.66 3iqf s TYR 70 Cb -0.16 -1.93 0.01 0.00 0.42 0.00 0.00 41.96 40.30 3iqf s TYR 70 CO 0.06 -0.45 -0.14 0.20 0.64 0.00 0.00 175.55 175.86 3iqf s GLY 71 N 0.88 0.84 0.00 8.97 0.00 -0.19 -0.03 107.32 117.80 3iqf s GLY 71 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3iqf s GLY 71 CO -0.01 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.73 3iqf n GLY 72 N 3.69 0.10 3.75 0.20 0.00 -0.88 -2.65 105.19 109.40 3iqf n GLY 72 Ca -0.22 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 3iqf n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iqf s PRO 73 N -2.00 2.59 -0.46 1.61 0.02 -1.26 -4.28 135.00 131.22 3iqf s PRO 73 Ca 0.00 1.67 -0.38 0.00 0.02 0.00 0.00 61.00 62.31 3iqf s PRO 73 Cb 0.00 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.68 3iqf s PRO 73 CO 0.00 -1.47 0.67 -1.71 -0.33 0.00 0.00 177.00 174.16 3iqf n ASN 74 N -2.27 -5.45 0.09 2.53 2.85 -1.26 -4.85 115.26 106.90 3iqf n ASN 74 Ca 0.13 -0.20 0.19 0.00 -0.11 0.00 0.00 54.58 54.59 3iqf n ASN 74 Cb 0.51 -1.61 0.63 0.00 1.24 0.00 0.00 39.78 40.55 3iqf n ASN 74 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iqf h PRO 75 N 2.01 0.00 -0.00 1.20 0.11 -1.87 -0.53 132.00 132.92 3iqf h PRO 75 Ca -0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3iqf h PRO 75 Cb 1.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.53 3iqf h PRO 75 CO 0.24 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 177.80 3iqf n ALA 76 N -2.16 2.91 -1.33 -0.75 0.00 -1.26 -3.30 120.51 114.61 3iqf n ALA 76 Ca 0.08 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 3iqf n ALA 76 Cb 0.80 -1.30 0.10 0.00 0.00 0.00 0.00 19.45 19.06 3iqf n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iqf s ALA 77 N -2.90 2.03 0.16 0.00 0.00 -0.21 -4.77 121.76 116.07 3iqf s ALA 77 Ca 0.16 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 3iqf s ALA 77 Cb 0.19 -3.20 0.08 0.00 0.00 0.00 0.00 23.12 20.19 3iqf s ALA 77 CO 0.59 -1.93 1.70 -1.35 0.00 0.00 0.00 175.76 174.77 3iqf h PRO 78 N -1.24 0.07 0.65 0.00 0.11 -1.90 -0.48 132.00 129.21 3iqf h PRO 78 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3iqf h PRO 78 Cb 1.26 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.36 3iqf h PRO 78 CO 0.55 0.05 -0.31 0.78 -0.21 0.00 0.00 178.00 178.85 3iqf h GLY 79 N 0.07 -0.91 0.50 -0.55 0.00 -1.84 -2.17 103.07 98.17 3iqf h GLY 79 Ca 0.18 0.34 0.18 0.00 0.00 0.00 0.00 47.33 48.02 3iqf h GLY 79 CO -0.32 -0.33 0.55 -2.55 0.00 0.00 0.00 176.54 173.89 3iqf h PRO 80 N -1.06 0.38 -0.48 4.80 0.11 -1.74 -1.59 132.00 132.41 3iqf h PRO 80 Ca -0.09 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 3iqf h PRO 80 Cb 0.71 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 3iqf h PRO 80 CO 0.15 0.25 0.04 0.77 -0.21 0.00 0.00 178.00 179.00 3iqf h SER 81 N 0.39 0.74 -0.58 -2.05 0.02 -0.95 -0.72 113.55 110.40 3iqf h SER 81 Ca 0.41 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 61.13 3iqf h SER 81 Cb 1.03 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 3iqf h SER 81 CO -0.14 0.78 0.05 0.50 -1.14 0.00 0.00 176.83 176.88 3iqf h LYS 82 N 0.74 0.99 -0.64 3.45 1.63 -0.65 -1.35 116.57 120.73 3iqf h LYS 82 Ca 0.15 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3iqf h LYS 82 Cb 0.39 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 3iqf h LYS 82 CO 0.01 0.96 0.42 0.00 -3.45 0.00 0.00 179.45 177.39 3iqf h ALA 83 N 0.99 0.82 -0.52 5.00 0.00 -0.90 -0.57 119.26 124.07 3iqf h ALA 83 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 83 Cb 0.48 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3iqf h ALA 83 CO 0.02 0.26 0.33 0.00 0.00 0.00 0.00 179.25 179.85 3iqf h ARG 84 N 0.87 0.71 0.11 0.00 3.08 -0.97 0.19 114.38 118.36 3iqf h ARG 84 Ca 0.23 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.24 3iqf h ARG 84 Cb -0.09 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 3iqf h ARG 84 CO -0.05 0.50 -0.23 1.49 -1.07 0.00 0.00 179.97 180.61 3iqf h GLU 85 N 0.71 -0.41 -0.59 0.04 4.81 -0.85 0.13 114.58 118.41 3iqf h GLU 85 Ca 0.19 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3iqf h GLU 85 Cb -0.03 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3iqf h GLU 85 CO -0.04 -0.27 0.05 0.52 -0.73 0.00 0.00 179.01 178.54 3iqf h MET 86 N -0.42 1.01 -0.14 1.92 2.86 -0.77 -1.93 114.93 117.45 3iqf h MET 86 Ca 0.03 -0.30 -0.21 0.00 -2.06 0.00 0.00 59.70 57.17 3iqf h MET 86 Cb 0.45 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3iqf h MET 86 CO -0.14 0.98 -0.73 -0.07 1.06 0.00 0.00 176.91 178.01 3iqf h LEU 87 N 0.91 0.79 -0.77 1.22 3.38 -0.52 -2.38 115.31 117.93 3iqf h LEU 87 Ca 0.17 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3iqf h LEU 87 Cb 0.49 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3iqf h LEU 87 CO 0.02 1.28 0.48 0.00 0.09 0.00 0.00 178.44 180.31 3iqf h ALA 88 N 0.71 0.98 0.00 1.53 0.00 -0.69 -2.82 119.26 118.98 3iqf h ALA 88 Ca -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3iqf h ALA 88 Cb 1.34 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3iqf h ALA 88 CO 0.14 0.43 -0.15 -0.44 0.00 0.00 0.00 179.25 179.24 3iqf h ASP 89 N 1.05 0.00 -3.89 0.00 5.19 -1.24 -3.46 116.42 114.07 3iqf h ASP 89 Ca 0.28 0.00 -0.44 0.00 -0.62 0.00 0.00 57.03 56.25 3iqf h ASP 89 Cb -0.07 0.00 0.17 0.00 0.18 0.00 0.00 39.33 39.61 3iqf h ASP 89 CO -0.06 0.15 0.29 -0.94 -3.12 0.00 0.00 179.24 175.56 3iqf s SER 90 N -6.04 2.43 0.00 6.45 1.04 -0.91 -4.97 113.70 111.70 3iqf s SER 90 Ca 0.00 0.56 0.24 0.00 0.48 0.00 0.00 55.95 57.24 3iqf s SER 90 Cb 0.10 -0.80 1.08 0.00 0.10 0.00 0.00 66.02 66.50 3iqf s SER 90 CO 0.60 -3.19 1.74 -1.84 0.98 0.00 0.00 173.24 171.54 3iqf n GLU 91 N -4.12 1.47 -4.03 4.02 0.28 -1.26 -4.90 120.64 112.09 3iqf n GLU 91 Ca 0.12 -0.70 -0.34 0.00 -0.16 0.00 0.00 57.16 56.08 3iqf n GLU 91 Cb 0.59 -1.42 -0.10 0.00 1.43 0.00 0.00 31.44 31.95 3iqf n GLU 91 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3iqf s TYR 92 N -1.92 3.23 0.33 -1.84 2.02 -1.26 -5.07 117.35 112.84 3iqf s TYR 92 Ca 0.36 0.03 -0.29 0.00 -0.37 0.00 0.00 57.07 56.80 3iqf s TYR 92 Cb 0.18 -2.07 -0.12 0.00 -0.40 0.00 0.00 41.96 39.55 3iqf s TYR 92 CO 0.29 0.13 1.37 -2.30 -1.57 0.00 0.00 175.55 173.47 3iqf n PRO 93 N 3.56 2.28 -4.00 -1.71 -0.02 -1.26 -4.82 135.00 129.04 3iqf n PRO 93 Ca -0.17 0.80 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 3iqf n PRO 93 Cb 0.52 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 3iqf n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iqf s ALA 94 N -0.88 0.22 -0.05 3.55 0.00 -1.26 -0.59 121.76 122.75 3iqf s ALA 94 Ca 0.57 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.88 3iqf s ALA 94 Cb -0.55 0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.72 3iqf s ALA 94 CO 0.60 -0.16 -0.13 0.08 0.00 0.00 0.00 175.76 176.15 3iqf s VAL 95 N -1.70 1.13 -0.26 0.00 1.01 -0.45 -0.90 120.40 119.24 3iqf s VAL 95 Ca -0.13 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 3iqf s VAL 95 Cb -0.08 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3iqf s VAL 95 CO -0.02 0.34 0.10 -0.63 0.00 0.00 0.00 175.10 174.89 3iqf s ILE 96 N 0.35 4.54 -0.23 2.22 -1.09 0.72 -0.99 121.20 126.72 3iqf s ILE 96 Ca -0.08 -0.09 -0.14 0.00 -2.23 0.00 0.00 60.65 58.11 3iqf s ILE 96 Cb -0.13 -3.13 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 3iqf s ILE 96 CO 0.02 0.32 0.30 -0.63 -1.23 0.00 0.00 174.94 173.72 3iqf s ILE 97 N 1.63 5.26 0.00 2.92 1.09 0.96 -1.01 121.20 132.05 3iqf s ILE 97 Ca 0.06 0.47 0.00 0.00 -1.10 0.00 0.00 60.65 60.08 3iqf s ILE 97 Cb -0.15 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.62 3iqf s ILE 97 CO 0.05 0.26 0.00 0.61 -0.10 0.00 0.00 174.94 175.77 3iqf n GLY 98 N 4.28 3.67 0.30 6.18 0.00 -0.48 -2.06 105.19 117.08 3iqf n GLY 98 Ca -0.11 -1.18 -0.03 0.00 0.00 0.00 0.00 46.02 44.71 3iqf n GLY 98 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iqf n ASP 99 N -0.75 1.93 -0.26 1.61 3.85 -1.26 -0.76 116.55 120.91 3iqf n ASP 99 Ca 0.00 -1.18 0.02 0.00 -0.71 0.00 0.00 54.79 52.92 3iqf n ASP 99 Cb 0.00 0.02 0.24 0.00 -1.35 0.00 0.00 41.12 40.03 3iqf n ASP 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3iqf h ALA 100 N 0.97 1.48 -0.44 2.12 0.00 -1.79 -1.32 119.26 120.28 3iqf h ALA 100 Ca -0.03 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.96 3iqf h ALA 100 Cb 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3iqf h ALA 100 CO 0.05 0.44 0.43 -1.35 0.00 0.00 0.00 179.25 178.82 3iqf h PRO 101 N 1.04 0.00 0.00 0.00 0.11 -1.96 -0.76 132.00 130.43 3iqf h PRO 101 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3iqf h PRO 101 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3iqf h PRO 101 CO -0.10 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.47 3iqf h GLY 102 N 0.00 0.00 2.00 -0.55 0.00 -1.59 -2.68 103.07 100.25 3iqf h GLY 102 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3iqf h GLY 102 CO -0.00 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.91 3iqf h LEU 103 N 0.00 0.00 -2.17 3.11 3.38 -1.30 -1.12 115.31 117.22 3iqf h LEU 103 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3iqf h LEU 103 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3iqf h LEU 103 CO 0.00 0.04 0.05 0.11 0.09 0.00 0.00 178.44 178.72 3iqf h LYS 104 N 0.00 0.00 -0.10 1.13 1.57 -1.68 -2.88 116.57 114.60 3iqf h LYS 104 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3iqf h LYS 104 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3iqf h LYS 104 CO 0.01 0.00 -0.11 1.33 -0.57 0.00 0.00 179.45 180.11 3iqf n VAL 105 N -4.24 2.12 -0.02 0.50 0.24 -0.44 -4.77 118.33 111.72 3iqf n VAL 105 Ca -0.02 -2.45 -0.12 0.00 -2.04 0.00 0.00 64.34 59.72 3iqf n VAL 105 Cb 0.14 -0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.20 3iqf n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3iqf h LYS 106 N 0.69 0.17 -0.25 7.34 3.64 -1.29 0.29 116.57 127.16 3iqf h LYS 106 Ca 0.03 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 3iqf h LYS 106 Cb 1.17 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3iqf h LYS 106 CO 0.09 0.32 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.83 3iqf h ASP 107 N -0.02 0.55 -0.35 4.20 3.32 -1.86 -1.70 116.42 120.56 3iqf h ASP 107 Ca 0.03 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.90 3iqf h ASP 107 Cb 0.23 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3iqf h ASP 107 CO -0.00 0.85 0.16 -0.08 -1.72 0.00 0.00 179.24 178.44 3iqf h GLU 108 N 0.45 0.32 -0.81 3.56 4.81 -1.85 -1.70 114.58 119.36 3iqf h GLU 108 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3iqf h GLU 108 Cb 0.80 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 3iqf h GLU 108 CO 0.07 0.21 0.48 0.52 -0.73 0.00 0.00 179.01 179.55 3iqf h MET 109 N 0.33 1.12 -0.85 1.92 2.86 -0.52 0.11 114.93 119.89 3iqf h MET 109 Ca 0.15 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3iqf h MET 109 Cb 0.09 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 3iqf h MET 109 CO -0.13 0.80 0.56 0.93 1.06 0.00 0.00 176.91 180.13 3iqf h GLU 110 N 1.12 1.10 0.00 1.72 5.08 -1.09 -1.59 114.58 120.93 3iqf h GLU 110 Ca 0.29 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3iqf h GLU 110 Cb -0.02 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.98 3iqf h GLU 110 CO -0.05 0.73 -0.12 1.49 -1.00 0.00 0.00 179.01 180.06 3iqf h GLU 111 N 1.14 0.00 0.00 2.33 4.81 -0.91 -2.50 114.58 119.45 3iqf h GLU 111 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3iqf h GLU 111 Cb -0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3iqf h GLU 111 CO -0.07 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.25 3iqf n GLN 112 N -3.03 0.07 -1.34 1.92 6.02 0.35 -4.94 117.38 116.43 3iqf n GLN 112 Ca 0.04 0.25 -0.02 0.00 -0.01 0.00 0.00 57.00 57.25 3iqf n GLN 112 Cb 0.53 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 30.16 3iqf n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iqf n GLY 113 N 0.34 0.48 3.90 1.08 0.00 -0.76 -4.76 105.19 105.47 3iqf n GLY 113 Ca 0.04 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 3iqf n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iqf s LEU 114 N -0.59 4.31 0.60 0.99 1.43 -0.67 -4.75 118.68 120.00 3iqf s LEU 114 Ca 0.00 0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.28 3iqf s LEU 114 Cb 0.00 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 3iqf s LEU 114 CO 0.00 0.18 0.94 -0.83 0.23 0.00 0.00 176.35 176.87 3iqf s GLY 115 N -2.42 1.59 0.01 -3.19 0.00 -0.08 -4.37 107.32 98.87 3iqf s GLY 115 Ca 0.33 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.40 3iqf s GLY 115 CO 0.26 -0.21 0.36 -2.52 0.00 0.00 0.00 173.10 170.98 3iqf s TYR 116 N -3.04 -0.21 -0.21 1.90 1.13 0.66 -0.20 117.35 117.38 3iqf s TYR 116 Ca 0.54 0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 56.40 3iqf s TYR 116 Cb -0.11 0.14 0.06 0.00 -1.10 0.00 0.00 41.96 40.96 3iqf s TYR 116 CO 0.48 -0.48 0.01 0.42 -2.51 0.00 0.00 175.55 173.47 3iqf s ILE 117 N -1.94 0.79 -0.23 -3.49 1.01 -0.18 -1.04 121.20 116.12 3iqf s ILE 117 Ca -0.09 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 3iqf s ILE 117 Cb -0.03 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 3iqf s ILE 117 CO 0.01 -0.19 0.03 -0.76 0.00 0.00 0.00 174.94 174.03 3iqf s LEU 118 N 1.73 3.31 -0.52 2.97 1.43 0.23 -1.38 118.68 126.46 3iqf s LEU 118 Ca -0.02 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3iqf s LEU 118 Cb -0.18 -1.87 0.13 0.00 0.03 0.00 0.00 46.19 44.31 3iqf s LEU 118 CO -0.08 -0.00 0.36 -0.69 0.23 0.00 0.00 176.35 176.16 3iqf s VAL 119 N 1.42 3.87 0.23 -1.59 1.01 0.06 -0.33 120.40 125.08 3iqf s VAL 119 Ca 0.05 -2.25 -0.07 0.00 0.00 0.00 0.00 61.98 59.71 3iqf s VAL 119 Cb -0.15 -3.56 0.22 0.00 0.00 0.00 0.00 36.38 32.89 3iqf s VAL 119 CO 0.02 -0.80 1.89 0.11 0.00 0.00 0.00 175.10 176.33 3iqf h LYS 120 N 7.88 1.23 0.00 2.72 1.57 -1.44 -1.83 116.57 126.71 3iqf h LYS 120 Ca -0.11 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3iqf h LYS 120 Cb 1.03 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3iqf h LYS 120 CO 0.76 0.85 0.00 -2.30 -0.57 0.00 0.00 179.45 178.19 3iqf n PRO 121 N -4.40 0.22 -2.15 3.15 -0.02 -1.26 -4.32 135.00 126.22 3iqf n PRO 121 Ca 0.10 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 3iqf n PRO 121 Cb 0.04 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3iqf n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iqf n ASP 122 N -1.29 4.37 -4.82 2.55 -0.08 -0.69 -4.38 116.55 112.21 3iqf n ASP 122 Ca 0.07 -2.87 -0.35 0.00 -1.51 0.00 0.00 54.79 50.13 3iqf n ASP 122 Cb 0.13 -1.70 -0.06 0.00 2.34 0.00 0.00 41.12 41.83 3iqf n ASP 122 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iqf s ALA 123 N 3.89 3.31 0.38 -1.67 0.00 -1.26 -4.77 121.76 121.63 3iqf s ALA 123 Ca 0.51 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 52.39 3iqf s ALA 123 Cb 0.09 -2.89 -0.10 0.00 0.00 0.00 0.00 23.12 20.22 3iqf s ALA 123 CO 0.00 0.29 1.42 1.41 0.00 0.00 0.00 175.76 178.88 3iqf s MET 124 N -2.48 4.11 0.60 0.00 1.75 -1.26 -4.91 119.30 117.10 3iqf s MET 124 Ca 0.50 2.44 -0.06 0.00 -1.25 0.00 0.00 55.69 57.32 3iqf s MET 124 Cb -0.14 -2.94 0.13 0.00 2.84 0.00 0.00 34.83 34.72 3iqf s MET 124 CO 0.19 -0.48 0.82 1.47 -0.65 0.00 0.00 175.02 176.37 3iqf n LEU 125 N 0.43 0.00 -3.92 4.11 -0.00 -1.26 -4.49 117.00 111.88 3iqf n LEU 125 Ca 0.01 -1.26 -0.43 0.00 -0.00 0.00 0.00 56.01 54.34 3iqf n LEU 125 Cb 0.40 -0.58 0.01 0.00 -0.00 0.00 0.00 43.42 43.25 3iqf n LEU 125 CO 0.61 -1.00 1.72 0.61 -0.00 0.00 0.00 177.39 179.33 3iqf n GLY 126 N -0.75 4.83 2.85 1.47 0.00 -1.26 -4.82 105.19 107.52 3iqf n GLY 126 Ca 0.12 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 3iqf n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqf n ALA 127 N 3.23 5.31 -2.67 4.61 0.00 -1.26 -4.27 120.51 125.45 3iqf n ALA 127 Ca 0.36 -4.04 -0.32 0.00 0.00 0.00 0.00 53.44 49.44 3iqf n ALA 127 Cb 0.36 -3.34 -0.15 0.00 0.00 0.00 0.00 19.45 16.31 3iqf n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iqf s ARG 128 N 2.27 2.65 0.49 0.00 1.81 -1.26 -4.94 118.95 119.97 3iqf s ARG 128 Ca 0.45 -0.80 0.18 0.00 -1.72 0.00 0.00 55.73 53.84 3iqf s ARG 128 Cb 0.11 -2.31 1.21 0.00 -0.45 0.00 0.00 34.95 33.51 3iqf s ARG 128 CO -0.04 0.45 2.04 -0.09 -0.68 0.00 0.00 175.30 176.98 3iqf h ARG 129 N 5.89 0.15 0.00 3.54 2.43 -1.90 0.16 114.38 124.66 3iqf h ARG 129 Ca -0.37 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3iqf h ARG 129 Cb 1.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3iqf h ARG 129 CO 0.50 0.10 0.00 0.93 -1.51 0.00 0.00 179.97 179.99 3iqf h GLU 130 N 0.16 0.00 0.00 0.20 3.07 -1.96 -3.35 114.58 112.70 3iqf h GLU 130 Ca 0.17 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 3iqf h GLU 130 Cb 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3iqf h GLU 130 CO -0.02 0.00 -1.22 0.34 -1.40 0.00 0.00 179.01 176.71 3iqf n PHE 131 N -2.76 0.00 -3.01 4.33 7.35 -0.59 -4.98 117.46 117.80 3iqf n PHE 131 Ca 0.01 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.26 3iqf n PHE 131 Cb 0.26 -0.14 -0.04 0.00 0.35 0.00 0.00 39.48 39.90 3iqf n PHE 131 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iqf s LEU 132 N -5.96 4.92 0.57 -2.13 2.96 0.46 -4.86 118.68 114.63 3iqf s LEU 132 Ca -0.05 -1.17 0.09 0.00 -0.22 0.00 0.00 54.13 52.78 3iqf s LEU 132 Cb 0.02 -2.38 0.08 0.00 0.50 0.00 0.00 46.19 44.41 3iqf s LEU 132 CO 0.07 -1.22 0.74 1.51 -1.32 0.00 0.00 176.35 176.13 3iqf s ASP 133 N 3.52 5.03 0.26 3.68 -4.77 -1.26 -4.64 116.67 118.49 3iqf s ASP 133 Ca 0.17 -0.91 -0.02 0.00 -3.30 0.00 0.00 52.55 48.49 3iqf s ASP 133 Cb -0.20 0.33 0.44 0.00 -1.09 0.00 0.00 42.92 42.40 3iqf s ASP 133 CO 0.09 -1.32 1.84 -0.65 0.70 0.00 0.00 175.17 175.83 3iqf h PRO 134 N 0.25 0.95 -0.11 2.11 0.11 -1.99 -1.39 132.00 131.93 3iqf h PRO 134 Ca -0.31 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 3iqf h PRO 134 Cb 1.29 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3iqf h PRO 134 CO 0.43 0.63 0.05 0.28 -0.21 0.00 0.00 178.00 179.19 3iqf h VAL 135 N 0.98 1.11 -0.91 3.15 2.07 -1.98 -1.55 116.25 119.12 3iqf h VAL 135 Ca 0.44 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3iqf h VAL 135 Cb 0.33 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3iqf h VAL 135 CO -0.23 0.10 0.53 -0.08 0.02 0.00 0.00 177.57 177.92 3iqf h GLU 136 N 0.06 1.25 -0.82 1.57 4.57 -1.84 -0.28 114.58 119.09 3iqf h GLU 136 Ca 0.04 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3iqf h GLU 136 Cb 0.11 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 3iqf h GLU 136 CO -0.01 0.89 0.48 1.98 -1.18 0.00 0.00 179.01 181.17 3iqf h MET 137 N 1.27 1.12 -0.34 1.92 4.05 -1.03 -0.58 114.93 121.33 3iqf h MET 137 Ca 0.33 -0.11 -0.16 0.00 -0.28 0.00 0.00 59.70 59.47 3iqf h MET 137 Cb -0.03 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 30.54 3iqf h MET 137 CO -0.06 0.80 -0.44 0.00 0.23 0.00 0.00 176.91 177.45 3iqf h ALA 138 N 1.25 0.58 -0.45 0.39 0.00 -0.88 -1.91 119.26 118.25 3iqf h ALA 138 Ca 0.29 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3iqf h ALA 138 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3iqf h ALA 138 CO -0.05 0.68 0.28 0.82 0.00 0.00 0.00 179.25 180.98 3iqf h ILE 139 N 0.70 1.13 -0.50 0.00 2.04 -0.84 -0.59 117.51 119.45 3iqf h ILE 139 Ca 0.05 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3iqf h ILE 139 Cb 1.02 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3iqf h ILE 139 CO 0.10 0.13 0.31 0.22 0.00 0.00 0.00 178.15 178.91 3iqf h TYR 140 N 0.60 0.65 -0.57 1.37 3.20 -1.04 -1.96 116.97 119.22 3iqf h TYR 140 Ca 0.16 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3iqf h TYR 140 Cb -0.03 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 3iqf h TYR 140 CO -0.04 0.44 0.28 -0.91 -1.64 0.00 0.00 178.16 176.30 3iqf h ASN 141 N 0.68 0.72 -0.23 -2.11 2.35 -0.95 0.67 115.58 116.70 3iqf h ASN 141 Ca 0.18 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3iqf h ASN 141 Cb -0.03 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3iqf h ASN 141 CO -0.04 0.60 0.09 0.00 -1.65 0.00 0.00 177.43 176.44 3iqf h ALA 142 N 1.51 0.30 -0.57 -0.83 0.00 -0.58 0.52 119.26 119.61 3iqf h ALA 142 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 142 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3iqf h ALA 142 CO -0.03 -0.11 0.32 -0.44 0.00 0.00 0.00 179.25 178.99 3iqf h ASP 143 N 0.22 0.71 -0.37 0.00 3.32 -1.12 -1.56 116.42 117.62 3iqf h ASP 143 Ca 0.08 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3iqf h ASP 143 Cb 0.17 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3iqf h ASP 143 CO -0.01 0.59 0.12 0.25 -1.72 0.00 0.00 179.24 178.48 3iqf h LEU 144 N 0.77 0.54 -0.82 1.55 5.85 -0.65 -1.82 115.31 120.72 3iqf h LEU 144 Ca 0.20 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3iqf h LEU 144 Cb 0.03 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3iqf h LEU 144 CO -0.03 0.59 0.53 -0.03 -0.34 0.00 0.00 178.44 179.16 3iqf h MET 145 N 0.45 1.10 -0.61 1.25 4.05 -0.85 -0.23 114.93 120.09 3iqf h MET 145 Ca 0.12 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 59.47 3iqf h MET 145 Cb 0.24 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 3iqf h MET 145 CO -0.01 0.74 0.40 -0.22 0.23 0.00 0.00 176.91 178.06 3iqf h LYS 146 N 1.12 0.80 0.16 0.39 1.63 -1.06 -0.37 116.57 119.24 3iqf h LYS 146 Ca 0.30 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3iqf h LYS 146 Cb -0.10 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.33 3iqf h LYS 146 CO -0.06 0.53 -0.16 0.28 -3.45 0.00 0.00 179.45 176.58 3iqf h VAL 147 N 0.82 0.63 -0.31 2.00 2.07 -0.71 -0.07 116.25 120.68 3iqf h VAL 147 Ca 0.22 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.65 3iqf h VAL 147 Cb -0.09 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3iqf h VAL 147 CO -0.05 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.28 3iqf h LEU 148 N -0.36 0.57 0.20 2.57 3.38 -0.90 -1.93 115.31 118.85 3iqf h LEU 148 Ca 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3iqf h LEU 148 Cb 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3iqf h LEU 148 CO -0.05 0.77 -0.10 0.00 0.09 0.00 0.00 178.44 179.16 3iqf h ALA 149 N 1.28 -0.27 0.00 1.53 0.00 -0.98 -1.67 119.26 119.14 3iqf h ALA 149 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3iqf h ALA 149 Cb 0.62 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3iqf h ALA 149 CO 0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 179.25 178.88 3iqf h ALA 150 N -0.74 1.02 0.00 0.00 0.00 -0.99 -1.92 119.26 116.63 3iqf h ALA 150 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iqf h ALA 150 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3iqf h ALA 150 CO 0.05 0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.70 3iqf n THR 151 N -3.27 0.57 -0.04 0.00 -2.24 -0.73 -4.73 114.28 103.84 3iqf n THR 151 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3iqf n THR 151 Cb 0.38 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 3iqf n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iqf n GLY 152 N 1.25 0.51 0.29 3.38 0.00 -0.72 -4.97 105.19 104.93 3iqf n GLY 152 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3iqf n GLY 152 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iqf h VAL 153 N 0.00 1.21 0.00 1.61 2.07 -1.57 -2.16 116.25 117.41 3iqf h VAL 153 Ca 0.00 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3iqf h VAL 153 Cb 0.00 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3iqf h VAL 153 CO 0.00 0.22 -0.12 -0.26 0.02 0.00 0.00 177.57 177.43 3iqf h PHE 154 N 0.97 0.00 -0.38 1.57 0.05 -1.59 -1.96 116.94 115.60 3iqf h PHE 154 Ca 0.25 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.91 3iqf h PHE 154 Cb -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.93 3iqf h PHE 154 CO -0.01 0.12 -0.28 -0.09 -0.18 0.00 0.00 178.31 177.88 3iqf h ARG 155 N 0.00 0.79 -0.80 1.51 2.43 -1.69 0.16 114.38 116.78 3iqf h ARG 155 Ca -0.00 -0.35 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 3iqf h ARG 155 Cb 0.22 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3iqf h ARG 155 CO 0.02 0.97 0.40 0.28 -1.51 0.00 0.00 179.97 180.13 3iqf h VAL 156 N 0.68 1.25 -0.22 0.20 2.07 -1.07 -0.18 116.25 118.97 3iqf h VAL 156 Ca 0.08 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 3iqf h VAL 156 Cb 0.81 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3iqf h VAL 156 CO 0.07 0.29 -0.11 0.58 0.02 0.00 0.00 177.57 178.42 3iqf h VAL 157 N 1.13 1.30 -0.32 2.57 2.07 -1.18 -1.95 116.25 119.87 3iqf h VAL 157 Ca 0.28 -1.17 0.07 0.00 0.82 0.00 0.00 66.70 66.70 3iqf h VAL 157 Cb 0.09 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3iqf h VAL 157 CO -0.04 0.36 -0.15 -0.61 0.02 0.00 0.00 177.57 177.15 3iqf h GLN 158 N 0.18 -0.10 -0.32 1.57 4.15 -0.48 -2.38 115.11 117.73 3iqf h GLN 158 Ca 0.05 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 3iqf h GLN 158 Cb 0.60 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 3iqf h GLN 158 CO 0.03 -0.07 -0.13 0.93 -1.93 0.00 0.00 178.83 177.67 3iqf h GLU 159 N -0.10 0.55 -0.21 1.69 5.08 -0.95 -0.11 114.58 120.53 3iqf h GLU 159 Ca 0.17 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3iqf h GLU 159 Cb 0.36 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3iqf h GLU 159 CO -0.39 0.67 0.05 0.00 -1.00 0.00 0.00 179.01 178.34 3iqf h ALA 160 N 1.36 0.28 -0.37 3.43 0.00 -1.02 -1.82 119.26 121.11 3iqf h ALA 160 Ca 0.09 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3iqf h ALA 160 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3iqf h ALA 160 CO 0.03 -0.07 -0.29 0.74 0.00 0.00 0.00 179.25 179.66 3iqf h PHE 161 N 0.16 0.91 -0.58 0.00 0.05 -1.27 -2.35 116.94 113.86 3iqf h PHE 161 Ca 0.07 -0.23 -0.04 0.00 3.82 0.00 0.00 57.97 61.58 3iqf h PHE 161 Cb 0.28 -0.21 -0.03 0.00 2.00 0.00 0.00 35.95 37.99 3iqf h PHE 161 CO 0.01 0.98 0.20 -0.44 -0.18 0.00 0.00 178.31 178.89 3iqf h ASP 162 N 0.67 0.79 -0.34 2.17 3.45 -0.90 0.16 116.42 122.42 3iqf h ASP 162 Ca 0.08 -0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 3iqf h ASP 162 Cb 0.82 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.37 3iqf h ASP 162 CO 0.07 0.73 0.15 -0.33 -1.57 0.00 0.00 179.24 178.29 3iqf h GLU 163 N 0.85 0.50 -0.79 3.56 5.08 -1.24 -1.71 114.58 120.82 3iqf h GLU 163 Ca 0.20 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3iqf h GLU 163 Cb 0.21 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3iqf h GLU 163 CO -0.01 0.48 0.40 1.25 -1.00 0.00 0.00 179.01 180.12 3iqf h LEU 164 N 0.41 1.02 -0.64 1.33 5.85 -0.91 -2.36 115.31 120.01 3iqf h LEU 164 Ca 0.11 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3iqf h LEU 164 Cb 0.15 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3iqf h LEU 164 CO -0.01 0.86 0.30 0.40 -0.34 0.00 0.00 178.44 179.64 3iqf h ILE 165 N 1.12 1.22 -0.93 4.05 2.04 -0.52 -0.68 117.51 123.81 3iqf h ILE 165 Ca 0.28 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3iqf h ILE 165 Cb 0.09 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 3iqf h ILE 165 CO -0.04 0.26 0.58 -0.33 0.00 0.00 0.00 178.15 178.63 3iqf h GLU 166 N 0.88 1.25 -0.39 2.37 4.39 -1.10 -1.26 114.58 120.73 3iqf h GLU 166 Ca 0.22 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 3iqf h GLU 166 Cb 0.14 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3iqf h GLU 166 CO -0.03 0.85 -0.15 0.87 -1.16 0.00 0.00 179.01 179.40 3iqf h LYS 167 N 1.28 0.71 -0.38 2.33 1.79 -1.10 -2.79 116.57 118.40 3iqf h LYS 167 Ca 0.34 -0.24 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3iqf h LYS 167 Cb -0.09 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 3iqf h LYS 167 CO -0.07 0.82 0.22 0.00 -1.08 0.00 0.00 179.45 179.34 3iqf h ALA 168 N 1.20 1.67 0.00 3.86 0.00 -0.52 -2.52 119.26 122.94 3iqf h ALA 168 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3iqf h ALA 168 Cb 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3iqf h ALA 168 CO 0.04 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.21 3iqf n LYS 169 N -4.45 0.13 -2.63 0.00 5.02 -0.53 -2.27 118.16 113.43 3iqf n LYS 169 Ca 0.03 0.33 -0.28 0.00 -2.02 0.00 0.00 58.31 56.37 3iqf n LYS 169 Cb 0.09 -1.74 -0.01 0.00 -0.02 0.00 0.00 35.03 33.35 3iqf n LYS 169 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3iqf n GLU 170 N -1.99 3.39 0.00 1.97 0.00 -0.95 -4.91 120.64 118.16 3iqf n GLU 170 Ca 0.03 -4.60 0.00 0.00 0.00 0.00 0.00 57.16 52.59 3iqf n GLU 170 Cb 0.23 -2.25 0.00 0.00 0.00 0.00 0.00 31.44 29.42 3iqf n GLU 170 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3iqf n ASP 171 N -0.39 0.00 -3.66 -1.84 4.64 -0.96 -4.70 116.55 109.64 3iqf n ASP 171 Ca 0.37 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 53.36 3iqf n ASP 171 Cb 0.53 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.58 3iqf n ASP 171 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3iqf n GLU 172 N 0.00 2.27 -2.89 -0.67 4.71 -1.23 -4.82 120.64 118.01 3iqf n GLU 172 Ca 0.00 -2.23 -0.43 0.00 -0.01 0.00 0.00 57.16 54.49 3iqf n GLU 172 Cb 0.00 -3.09 -0.04 0.00 -1.01 0.00 0.00 31.44 27.30 3iqf n GLU 172 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3iqf s ILE 173 N 3.95 4.40 0.44 -3.67 1.01 -1.26 -4.78 121.20 121.29 3iqf s ILE 173 Ca 0.52 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.77 3iqf s ILE 173 Cb 0.14 -4.66 0.01 0.00 0.01 0.00 0.00 42.46 37.96 3iqf s ILE 173 CO 0.00 -1.42 0.60 -0.94 0.00 0.00 0.00 174.94 173.18 3iqf s SER 174 N 3.68 5.61 0.37 3.58 1.04 -1.26 -4.94 113.70 121.77 3iqf s SER 174 Ca 0.21 -0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.36 3iqf s SER 174 Cb -0.18 -0.70 0.80 0.00 0.10 0.00 0.00 66.02 66.05 3iqf s SER 174 CO 0.09 -0.81 1.92 -0.33 0.98 0.00 0.00 173.24 175.09 3iqf h GLU 175 N 0.56 0.68 -0.03 4.02 5.08 -1.96 -1.16 114.58 121.77 3iqf h GLU 175 Ca -0.40 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 3iqf h GLU 175 Cb 1.28 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3iqf h GLU 175 CO 0.46 0.45 0.04 -0.91 -1.00 0.00 0.00 179.01 178.04 3iqf h ASN 176 N 0.70 0.00 1.10 1.42 2.35 -1.98 -2.18 115.58 116.99 3iqf h ASN 176 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3iqf h ASN 176 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3iqf h ASN 176 CO -0.14 0.00 -0.39 0.47 -1.65 0.00 0.00 177.43 175.72 3iqf n ASP 177 N -3.93 0.75 -4.73 5.81 10.43 -0.44 -4.91 116.55 119.53 3iqf n ASP 177 Ca -0.02 0.29 -0.42 0.00 2.57 0.00 0.00 54.79 57.22 3iqf n ASP 177 Cb 0.12 -0.20 -0.03 0.00 1.84 0.00 0.00 41.12 42.85 3iqf n ASP 177 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iqf s LEU 178 N -4.35 4.41 0.44 0.64 1.43 -0.82 -4.81 118.68 115.62 3iqf s LEU 178 Ca 0.08 2.21 -0.24 0.00 -1.03 0.00 0.00 54.13 55.14 3iqf s LEU 178 Cb 0.13 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 3iqf s LEU 178 CO 0.67 -0.46 1.20 -0.81 0.23 0.00 0.00 176.35 177.19 3iqf n PRO 179 N 3.11 1.72 -3.38 1.29 -0.04 -1.26 -4.85 135.00 131.58 3iqf n PRO 179 Ca 0.07 0.62 -0.26 0.00 -0.04 0.00 0.00 63.50 63.88 3iqf n PRO 179 Cb 0.45 -2.31 -0.09 0.00 -0.04 0.00 0.00 33.50 31.50 3iqf n PRO 179 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3iqf n LYS 180 N -0.08 0.57 -4.84 0.54 5.02 -1.20 -0.24 118.16 117.92 3iqf n LYS 180 Ca 0.08 -3.36 -0.33 0.00 -2.02 0.00 0.00 58.31 52.68 3iqf n LYS 180 Cb 0.40 -1.62 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 3iqf n LYS 180 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iqf s LEU 181 N -0.52 2.79 -0.15 -0.35 1.43 -0.21 -4.98 118.68 116.70 3iqf s LEU 181 Ca 0.33 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 3iqf s LEU 181 Cb 0.07 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.74 3iqf s LEU 181 CO -0.17 0.32 -0.13 -0.69 0.23 0.00 0.00 176.35 175.92 3iqf s VAL 182 N -0.60 1.51 -0.15 -1.59 1.01 -1.26 -0.60 120.40 118.72 3iqf s VAL 182 Ca 0.09 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3iqf s VAL 182 Cb -0.11 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3iqf s VAL 182 CO 0.01 0.42 -0.06 -0.63 0.00 0.00 0.00 175.10 174.84 3iqf s ILE 183 N 1.51 3.68 0.00 2.22 1.01 0.55 -4.93 121.20 125.24 3iqf s ILE 183 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3iqf s ILE 183 Cb -0.13 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.75 3iqf s ILE 183 CO -0.10 0.51 0.00 -0.90 0.00 0.00 0.00 174.94 174.44 3iqf n ASP 184 N 3.47 0.00 -0.26 3.58 5.68 -1.26 -1.16 116.55 126.59 3iqf n ASP 184 Ca -0.18 -0.93 -0.01 0.00 -0.50 0.00 0.00 54.79 53.18 3iqf n ASP 184 Cb 0.53 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.57 3iqf n ASP 184 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3iqf h ARG 185 N 0.00 -0.05 0.00 0.11 2.43 -1.88 -1.12 114.38 113.87 3iqf h ARG 185 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3iqf h ARG 185 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3iqf h ARG 185 CO 0.00 -0.03 0.00 -0.91 -1.51 0.00 0.00 179.97 177.52 3iqf h ASN 186 N -0.05 0.00 -0.88 -3.80 2.35 -1.97 -2.78 115.58 108.45 3iqf h ASN 186 Ca 0.33 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 56.25 3iqf h ASN 186 Cb 0.57 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.87 3iqf h ASN 186 CO -0.79 0.00 0.57 0.74 -1.65 0.00 0.00 177.43 176.31 3iqf h THR 187 N 0.00 0.75 0.00 2.81 2.02 -1.56 -0.76 112.91 116.17 3iqf h THR 187 Ca 0.00 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3iqf h THR 187 Cb 0.31 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3iqf h THR 187 CO 0.00 0.10 -0.09 -0.07 0.37 0.00 0.00 175.52 175.83 3iqf h LEU 188 N 0.52 0.00 -1.52 2.58 3.38 -1.64 -2.29 115.31 116.34 3iqf h LEU 188 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3iqf h LEU 188 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3iqf h LEU 188 CO -0.19 0.09 0.00 -0.07 0.09 0.00 0.00 178.44 178.36 3iqf h LEU 189 N 0.00 0.00 -2.00 1.67 3.38 -1.34 -2.68 115.31 114.35 3iqf h LEU 189 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqf h LEU 189 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3iqf h LEU 189 CO 0.01 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 3iqf n GLU 190 N -2.84 2.33 -4.68 1.13 1.02 -0.86 -4.98 120.64 111.77 3iqf n GLU 190 Ca 0.00 -1.98 -0.30 0.00 -0.02 0.00 0.00 57.16 54.86 3iqf n GLU 190 Cb 0.24 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 3iqf n GLU 190 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3iqf s ARG 191 N -1.74 2.06 -0.27 3.49 0.52 -1.01 -5.05 118.95 116.95 3iqf s ARG 191 Ca 0.34 -2.25 0.13 0.00 -0.52 0.00 0.00 55.73 53.43 3iqf s ARG 191 Cb 0.21 -1.52 0.47 0.00 0.52 0.00 0.00 34.95 34.63 3iqf s ARG 191 CO 0.31 -0.22 1.17 -1.91 0.02 0.00 0.00 175.30 174.66 3iqf n GLU 192 N -1.10 2.78 -0.09 3.54 2.13 -1.26 -4.85 120.64 121.79 3iqf n GLU 192 Ca -0.12 -3.84 -0.09 0.00 0.66 0.00 0.00 57.16 53.77 3iqf n GLU 192 Cb 0.67 -1.95 -0.02 0.00 0.27 0.00 0.00 31.44 30.41 3iqf n GLU 192 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3iqf h GLU 193 N 2.20 0.42 -5.25 5.31 4.57 -1.97 -3.43 114.58 116.43 3iqf h GLU 193 Ca 0.17 -0.03 -0.64 0.00 -1.18 0.00 0.00 59.36 57.68 3iqf h GLU 193 Cb 1.43 -0.09 -0.22 0.00 -0.16 0.00 0.00 28.75 29.71 3iqf h GLU 193 CO 0.51 0.30 -0.67 -0.06 -1.18 0.00 0.00 179.01 177.91 3iqf s PHE 194 N -6.08 3.02 0.15 0.92 0.08 -1.26 -4.60 117.98 110.22 3iqf s PHE 194 Ca -0.13 -0.36 0.13 0.00 0.12 0.00 0.00 56.93 56.69 3iqf s PHE 194 Cb 0.10 -1.99 0.31 0.00 -0.57 0.00 0.00 43.02 40.87 3iqf s PHE 194 CO 0.71 -0.10 1.56 1.05 -0.10 0.00 0.00 175.22 178.35 3iqf h GLU 195 N 6.93 0.00 -5.18 0.44 -0.00 -1.83 -3.44 114.58 111.49 3iqf h GLU 195 Ca -0.32 0.00 -0.61 0.00 -0.00 0.00 0.00 59.36 58.42 3iqf h GLU 195 Cb 1.19 0.00 -0.14 0.00 -0.00 0.00 0.00 28.75 29.80 3iqf h GLU 195 CO 0.62 0.59 -0.43 1.21 -0.00 0.00 0.00 179.01 181.00 3iqf s ASN 196 N -6.63 6.20 0.44 3.06 2.47 -1.26 -4.98 114.94 114.25 3iqf s ASN 196 Ca 0.00 0.22 0.13 0.00 0.42 0.00 0.00 52.86 53.63 3iqf s ASN 196 Cb 0.11 -2.13 0.99 0.00 -1.45 0.00 0.00 41.25 38.77 3iqf s ASN 196 CO 0.75 0.05 2.02 1.55 -3.72 0.00 0.00 177.10 177.74 3iqf h PRO 197 N 7.39 0.13 -0.00 0.43 0.13 -2.00 -2.12 132.00 135.95 3iqf h PRO 197 Ca -0.38 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 3iqf h PRO 197 Cb 1.17 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3iqf h PRO 197 CO 0.68 0.21 -0.60 1.88 -0.23 0.00 0.00 178.00 179.93 3iqf h TYR 198 N 0.12 0.02 -0.39 1.56 0.05 -1.98 -1.60 116.97 114.75 3iqf h TYR 198 Ca 0.03 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 3iqf h TYR 198 Cb 0.21 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 3iqf h TYR 198 CO 0.00 0.62 0.12 0.00 -1.05 0.00 0.00 178.16 177.85 3iqf h ALA 199 N 1.38 0.52 -0.54 3.88 0.00 -1.69 0.84 119.26 123.65 3iqf h ALA 199 Ca -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3iqf h ALA 199 Cb 1.07 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 3iqf h ALA 199 CO 0.08 0.17 0.28 1.98 0.00 0.00 0.00 179.25 181.75 3iqf h MET 200 N 0.49 0.52 -0.20 0.00 1.85 -1.21 -1.20 114.93 115.18 3iqf h MET 200 Ca 0.13 -0.03 -0.14 0.00 -0.61 0.00 0.00 59.70 59.05 3iqf h MET 200 Cb 0.26 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 3iqf h MET 200 CO -0.00 0.35 -0.45 -0.24 -0.40 0.00 0.00 176.91 176.16 3iqf h VAL 201 N 0.54 1.31 -0.58 -5.77 3.04 -1.03 0.46 116.25 114.22 3iqf h VAL 201 Ca 0.24 -1.65 -0.09 0.00 -1.01 0.00 0.00 66.70 64.19 3iqf h VAL 201 Cb 0.14 1.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.05 3iqf h VAL 201 CO -0.16 0.51 0.02 0.11 -1.01 0.00 0.00 177.57 177.04 3iqf h LYS 202 N 0.40 1.00 -0.77 4.17 1.57 -0.69 -1.42 116.57 120.84 3iqf h LYS 202 Ca 0.03 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 3iqf h LYS 202 Cb 0.95 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 3iqf h LYS 202 CO 0.08 0.99 0.29 0.00 -0.57 0.00 0.00 179.45 180.24 3iqf h ALA 203 N 0.98 1.00 -0.51 3.86 0.00 -0.91 -0.80 119.26 122.87 3iqf h ALA 203 Ca 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iqf h ALA 203 Cb 0.52 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3iqf h ALA 203 CO 0.03 0.64 0.25 0.52 0.00 0.00 0.00 179.25 180.68 3iqf h MET 204 N 1.12 0.72 -0.63 0.00 2.86 -0.76 -1.86 114.93 116.38 3iqf h MET 204 Ca 0.25 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3iqf h MET 204 Cb 0.24 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3iqf h MET 204 CO -0.02 0.60 0.41 0.00 1.06 0.00 0.00 176.91 178.96 3iqf h ALA 205 N 1.09 0.81 -0.61 6.32 0.00 -0.96 0.77 119.26 126.68 3iqf h ALA 205 Ca 0.17 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3iqf h ALA 205 Cb 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3iqf h ALA 205 CO -0.02 0.19 0.35 0.00 0.00 0.00 0.00 179.25 179.77 3iqf h ALA 206 N 1.25 0.81 -0.21 0.00 0.00 -0.96 -1.00 119.26 119.14 3iqf h ALA 206 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3iqf h ALA 206 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3iqf h ALA 206 CO -0.07 0.05 -0.38 -0.07 0.00 0.00 0.00 179.25 178.78 3iqf h LEU 207 N 0.67 0.50 -0.20 0.00 3.38 -0.82 -1.01 115.31 117.83 3iqf h LEU 207 Ca 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3iqf h LEU 207 Cb 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3iqf h LEU 207 CO -0.14 0.83 0.05 -0.08 0.09 0.00 0.00 178.44 179.19 3iqf h GLU 208 N 0.40 0.31 -0.67 1.13 4.57 -0.60 -1.26 114.58 118.46 3iqf h GLU 208 Ca 0.04 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3iqf h GLU 208 Cb 0.84 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 3iqf h GLU 208 CO 0.07 0.44 0.44 0.82 -1.18 0.00 0.00 179.01 179.60 3iqf h ILE 209 N 0.13 1.18 -0.44 2.32 2.04 -1.05 -0.38 117.51 121.32 3iqf h ILE 209 Ca 0.06 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3iqf h ILE 209 Cb 0.26 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3iqf h ILE 209 CO 0.00 0.17 0.19 0.00 0.00 0.00 0.00 178.15 178.51 3iqf h ALA 210 N 1.24 0.57 -0.56 1.87 0.00 -1.15 -1.18 119.26 120.04 3iqf h ALA 210 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 210 Cb -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3iqf h ALA 210 CO -0.05 0.16 0.37 1.49 0.00 0.00 0.00 179.25 181.22 3iqf h GLU 211 N 0.56 0.74 0.00 0.00 4.81 -0.89 -2.41 114.58 117.40 3iqf h GLU 211 Ca 0.15 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3iqf h GLU 211 Cb 0.16 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3iqf h GLU 211 CO -0.01 0.49 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.83 3iqf h ASN 212 N 0.76 0.00 -0.89 1.04 2.35 -0.65 -2.74 115.58 115.45 3iqf h ASN 212 Ca 0.21 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 56.06 3iqf h ASN 212 Cb -0.09 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.21 3iqf h ASN 212 CO -0.05 0.01 0.53 0.58 -1.65 0.00 0.00 177.43 176.86 3iqf h VAL 213 N 0.00 0.92 -0.81 2.81 2.07 -0.69 -2.98 116.25 117.58 3iqf h VAL 213 Ca -0.00 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 67.31 3iqf h VAL 213 Cb 0.03 -0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 29.70 3iqf h VAL 213 CO 0.00 0.16 0.45 0.00 0.02 0.00 0.00 177.57 178.21 3iqf h ALA 214 N 1.48 1.15 -0.29 1.67 0.00 -1.57 -0.96 119.26 120.74 3iqf h ALA 214 Ca 0.43 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.27 3iqf h ALA 214 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3iqf h ALA 214 CO -0.25 0.08 -0.25 -0.44 0.00 0.00 0.00 179.25 178.39 3iqf h ASP 215 N 0.76 0.57 -0.04 0.00 3.45 -1.69 0.27 116.42 119.75 3iqf h ASP 215 Ca 0.39 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 3iqf h ASP 215 Cb 0.36 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 38.98 3iqf h ASP 215 CO -0.25 0.81 -0.01 0.58 -1.57 0.00 0.00 179.24 178.80 3iqf h VAL 216 N 0.50 1.31 -0.52 -1.35 2.07 -1.28 -1.80 116.25 115.18 3iqf h VAL 216 Ca 0.07 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.70 3iqf h VAL 216 Cb 0.70 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 3iqf h VAL 216 CO 0.05 0.26 0.21 0.28 0.02 0.00 0.00 177.57 178.39 3iqf h SER 217 N -0.30 0.24 -0.55 0.57 0.02 -1.07 -0.59 113.55 111.88 3iqf h SER 217 Ca 0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3iqf h SER 217 Cb 0.42 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 3iqf h SER 217 CO 0.00 0.17 0.31 0.58 -1.14 0.00 0.00 176.83 176.76 3iqf h VAL 218 N 0.41 1.17 -0.27 2.27 2.07 -0.94 0.99 116.25 121.95 3iqf h VAL 218 Ca 0.25 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3iqf h VAL 218 Cb 0.24 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3iqf h VAL 218 CO -0.23 0.18 0.18 -0.08 0.02 0.00 0.00 177.57 177.64 3iqf h GLU 219 N 0.74 0.36 -0.13 1.57 4.81 -0.88 0.33 114.58 121.38 3iqf h GLU 219 Ca 0.19 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3iqf h GLU 219 Cb 0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3iqf h GLU 219 CO -0.03 0.25 -0.27 0.78 -0.73 0.00 0.00 179.01 179.01 3iqf h GLY 220 N 0.36 0.26 0.38 1.92 0.00 -0.74 0.56 103.07 105.81 3iqf h GLY 220 Ca 0.10 -0.20 -0.35 0.00 0.00 0.00 0.00 47.33 46.88 3iqf h GLY 220 CO -0.02 0.19 -2.15 0.00 0.00 0.00 0.00 176.54 174.55 3iqf n PHE 222 N -3.07 0.00 -0.03 0.00 3.72 0.09 -4.89 117.46 113.29 3iqf n PHE 222 Ca -0.31 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.03 3iqf n PHE 222 Cb 1.07 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 39.57 3iqf n PHE 222 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3iqf n VAL 223 N -1.34 1.24 -2.22 -4.37 0.31 -0.86 -4.98 118.33 106.11 3iqf n VAL 223 Ca -0.00 0.19 -0.42 0.00 -0.01 0.00 0.00 64.34 64.11 3iqf n VAL 223 Cb 0.03 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.04 3iqf n VAL 223 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3iqf s GLU 224 N -2.39 4.35 -0.00 5.55 2.56 0.13 -4.92 118.70 123.98 3iqf s GLU 224 Ca -0.15 2.02 0.09 0.00 0.00 0.00 0.00 54.97 56.94 3iqf s GLU 224 Cb 0.03 -3.25 -0.10 0.00 2.00 0.00 0.00 34.13 32.80 3iqf s GLU 224 CO 0.21 -0.37 0.35 1.04 -0.56 0.00 0.00 175.26 175.93 3iqf n GLN 225 N 3.64 3.40 -3.25 4.30 1.13 -1.26 -4.73 117.38 120.60 3iqf n GLN 225 Ca 0.10 -0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.73 3iqf n GLN 225 Cb 0.43 -0.97 -0.08 0.00 0.11 0.00 0.00 30.24 29.73 3iqf n GLN 225 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3iqf s ASP 226 N -2.05 6.32 0.56 1.08 3.68 -1.26 -4.96 116.67 120.04 3iqf s ASP 226 Ca 0.02 0.03 0.24 0.00 2.13 0.00 0.00 52.55 54.97 3iqf s ASP 226 Cb 0.07 -2.26 1.54 0.00 -1.45 0.00 0.00 42.92 40.81 3iqf s ASP 226 CO 0.37 -0.44 2.17 0.07 0.13 0.00 0.00 175.17 177.46 3iqf h LYS 227 N 8.41 0.00 0.00 4.34 2.10 -1.97 0.24 116.57 129.68 3iqf h LYS 227 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3iqf h LYS 227 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3iqf h LYS 227 CO 0.76 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 179.14 3iqf h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -2.36 114.58 115.36 3iqf h GLU 228 Ca 0.04 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.10 3iqf h GLU 228 Cb 0.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3iqf h GLU 228 CO -0.00 0.00 -2.05 0.54 -1.00 0.00 0.00 179.01 176.50 3iqf n ARG 229 N -2.85 0.43 0.13 2.33 1.74 0.40 -4.61 116.66 114.22 3iqf n ARG 229 Ca -0.01 0.14 -0.02 0.00 -0.77 0.00 0.00 57.85 57.19 3iqf n ARG 229 Cb 0.15 -1.27 0.19 0.00 -1.02 0.00 0.00 32.46 30.51 3iqf n ARG 229 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3iqf h TYR 230 N -0.35 0.09 0.33 -1.55 -0.00 -0.63 -2.21 116.97 112.66 3iqf h TYR 230 Ca -0.44 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.24 3iqf h TYR 230 Cb 1.52 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 38.24 3iqf h TYR 230 CO -0.02 0.62 -0.16 0.28 -0.00 0.00 0.00 178.16 178.88 3iqf h VAL 231 N 0.05 0.69 -0.87 -0.90 2.07 -1.68 -0.46 116.25 115.16 3iqf h VAL 231 Ca -0.00 -0.37 0.11 0.00 0.82 0.00 0.00 66.70 67.26 3iqf h VAL 231 Cb 1.02 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 3iqf h VAL 231 CO 0.08 0.07 0.56 -0.65 0.02 0.00 0.00 177.57 177.66 3iqf h PRO 232 N -0.65 0.78 0.28 1.57 0.11 -1.79 -1.93 132.00 130.36 3iqf h PRO 232 Ca -0.05 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3iqf h PRO 232 Cb 0.46 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3iqf h PRO 232 CO 0.08 0.52 -0.13 0.82 -0.21 0.00 0.00 178.00 179.07 3iqf h ILE 233 N 0.80 0.76 -0.50 4.15 2.04 -1.11 -0.32 117.51 123.33 3iqf h ILE 233 Ca 0.41 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 3iqf h ILE 233 Cb 0.50 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3iqf h ILE 233 CO -0.18 0.05 0.21 -0.37 0.00 0.00 0.00 178.15 177.86 3iqf h VAL 234 N -0.48 1.18 -0.21 1.67 -1.51 -0.94 -2.23 116.25 113.74 3iqf h VAL 234 Ca -0.04 -0.54 -0.10 0.00 -1.23 0.00 0.00 66.70 64.79 3iqf h VAL 234 Cb 0.36 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 3iqf h VAL 234 CO 0.06 0.22 -0.31 0.00 -1.23 0.00 0.00 177.57 176.31 3iqf h ALA 235 N 1.53 1.09 -0.03 5.19 0.00 -1.15 -2.33 119.26 123.55 3iqf h ALA 235 Ca 0.17 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3iqf h ALA 235 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3iqf h ALA 235 CO -0.02 0.57 -0.30 0.66 0.00 0.00 0.00 179.25 180.16 3iqf h SER 236 N 0.36 0.06 -0.59 0.00 4.64 -0.45 -2.01 113.55 115.55 3iqf h SER 236 Ca 0.05 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 3iqf h SER 236 Cb 0.72 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.77 3iqf h SER 236 CO 0.06 0.36 0.20 0.00 -0.87 0.00 0.00 176.83 176.58 3iqf h ALA 237 N 1.64 0.77 -0.23 5.18 0.00 -1.11 -2.14 119.26 123.37 3iqf h ALA 237 Ca 0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3iqf h ALA 237 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3iqf h ALA 237 CO 0.04 0.43 -0.31 0.45 0.00 0.00 0.00 179.25 179.86 3iqf h HIS 238 N 0.83 0.54 -0.47 0.00 3.86 -1.26 -1.63 115.15 117.02 3iqf h HIS 238 Ca 0.19 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 3iqf h HIS 238 Cb 0.26 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 3iqf h HIS 238 CO 0.02 0.74 0.02 0.93 0.86 0.00 0.00 177.93 180.49 3iqf h GLU 239 N 0.41 0.77 -0.28 2.45 4.39 -1.16 -2.23 114.58 118.92 3iqf h GLU 239 Ca 0.05 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3iqf h GLU 239 Cb 0.75 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3iqf h GLU 239 CO 0.06 0.77 0.15 0.52 -1.16 0.00 0.00 179.01 179.34 3iqf h MET 240 N 0.72 0.39 -0.59 2.33 2.86 -0.99 -2.45 114.93 117.20 3iqf h MET 240 Ca 0.14 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3iqf h MET 240 Cb 0.42 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3iqf h MET 240 CO 0.02 0.35 0.20 1.98 1.06 0.00 0.00 176.91 180.51 3iqf h MET 241 N 0.33 0.88 -0.80 1.72 1.85 -1.17 -0.69 114.93 117.05 3iqf h MET 241 Ca 0.10 -0.16 0.01 0.00 -0.61 0.00 0.00 59.70 59.04 3iqf h MET 241 Cb 0.07 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 31.92 3iqf h MET 241 CO -0.02 0.75 0.53 -0.09 -0.40 0.00 0.00 176.91 177.68 3iqf h ARG 242 N 0.86 1.05 -0.08 0.39 2.43 -1.26 -0.93 114.38 116.84 3iqf h ARG 242 Ca 0.20 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.14 3iqf h ARG 242 Cb 0.23 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3iqf h ARG 242 CO -0.01 0.69 -0.66 0.87 -1.51 0.00 0.00 179.97 179.35 3iqf h LYS 243 N 1.08 0.33 -0.59 0.20 1.79 -0.94 -2.19 116.57 116.25 3iqf h LYS 243 Ca 0.29 -0.25 0.04 0.00 -2.18 0.00 0.00 60.65 58.56 3iqf h LYS 243 Cb -0.12 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.53 3iqf h LYS 243 CO -0.06 0.88 0.34 0.00 -1.08 0.00 0.00 179.45 179.52 3iqf h ALA 244 N 1.06 0.77 -0.71 3.86 0.00 -0.87 -1.41 119.26 121.97 3iqf h ALA 244 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iqf h ALA 244 Cb 1.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3iqf h ALA 244 CO 0.11 0.04 0.43 0.00 0.00 0.00 0.00 179.25 179.83 3iqf h ALA 245 N 1.29 1.43 -0.68 0.00 0.00 -1.01 -1.04 119.26 119.25 3iqf h ALA 245 Ca 0.25 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3iqf h ALA 245 Cb 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3iqf h ALA 245 CO -0.14 0.50 0.11 0.93 0.00 0.00 0.00 179.25 180.65 3iqf h GLU 246 N 0.97 1.12 -0.43 0.00 5.08 -0.94 -0.92 114.58 119.47 3iqf h GLU 246 Ca 0.26 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3iqf h GLU 246 Cb -0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3iqf h GLU 246 CO -0.05 1.02 0.23 -0.07 -1.00 0.00 0.00 179.01 179.14 3iqf h LEU 247 N 1.05 0.54 -0.70 1.33 3.38 -0.73 0.28 115.31 120.46 3iqf h LEU 247 Ca 0.21 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3iqf h LEU 247 Cb 0.45 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3iqf h LEU 247 CO 0.01 0.49 0.45 0.00 0.09 0.00 0.00 178.44 179.48 3iqf h ALA 248 N 1.08 0.90 -0.42 1.53 0.00 -1.06 -0.30 119.26 120.99 3iqf h ALA 248 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 248 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3iqf h ALA 248 CO -0.02 0.24 0.25 0.22 0.00 0.00 0.00 179.25 179.94 3iqf h ASP 249 N 0.88 0.50 -0.63 0.00 3.58 -0.84 -1.75 116.42 118.17 3iqf h ASP 249 Ca 0.27 -0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.72 3iqf h ASP 249 Cb -0.03 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 40.85 3iqf h ASP 249 CO -0.09 0.41 0.35 -0.33 -2.88 0.00 0.00 179.24 176.70 3iqf h GLU 250 N 0.55 0.64 -0.27 0.28 5.08 -0.52 -0.85 114.58 119.49 3iqf h GLU 250 Ca 0.15 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3iqf h GLU 250 Cb 0.00 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3iqf h GLU 250 CO -0.03 0.42 0.16 0.00 -1.00 0.00 0.00 179.01 178.56 3iqf h ALA 251 N 1.32 0.34 -0.27 3.43 0.00 -0.82 -2.05 119.26 121.21 3iqf h ALA 251 Ca 0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3iqf h ALA 251 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iqf h ALA 251 CO -0.16 -0.22 -0.16 -0.09 0.00 0.00 0.00 179.25 178.62 3iqf h ARG 252 N 0.33 0.47 -0.07 0.00 2.43 -0.97 -2.55 114.38 114.02 3iqf h ARG 252 Ca 0.11 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 3iqf h ARG 252 Cb -0.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3iqf h ARG 252 CO -0.05 0.62 -0.38 0.93 -1.51 0.00 0.00 179.97 179.58 3iqf h GLU 253 N 0.43 0.15 -0.63 0.20 4.39 -0.95 -1.71 114.58 116.46 3iqf h GLU 253 Ca 0.08 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3iqf h GLU 253 Cb 0.53 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3iqf h GLU 253 CO 0.03 0.51 0.39 -0.07 -1.16 0.00 0.00 179.01 178.71 3iqf h LEU 254 N 0.13 0.76 -0.62 1.33 3.38 -0.98 -1.23 115.31 118.07 3iqf h LEU 254 Ca 0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iqf h LEU 254 Cb 0.73 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3iqf h LEU 254 CO 0.06 0.59 0.37 -0.33 0.09 0.00 0.00 178.44 179.22 3iqf h GLU 255 N 0.86 0.84 -0.97 1.13 4.39 -1.07 -2.07 114.58 117.70 3iqf h GLU 255 Ca 0.23 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.90 3iqf h GLU 255 Cb -0.03 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.38 3iqf h GLU 255 CO -0.04 0.60 0.63 0.87 -1.16 0.00 0.00 179.01 179.91 3iqf h LYS 256 N 0.84 1.15 0.00 2.33 1.57 -1.10 -1.10 116.57 120.26 3iqf h LYS 256 Ca 0.22 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3iqf h LYS 256 Cb -0.02 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.03 3iqf h LYS 256 CO -0.04 0.76 -0.02 0.66 -0.57 0.00 0.00 179.45 180.24 3iqf h SER 257 N 1.19 0.00 -0.45 0.86 4.64 -0.50 -0.33 113.55 118.96 3iqf h SER 257 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3iqf h SER 257 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3iqf h SER 257 CO -0.14 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.43 3iqf n ASN 258 N -3.23 3.26 -3.98 4.97 3.02 -0.93 -4.98 115.26 113.40 3iqf n ASN 258 Ca -0.02 -1.95 -0.38 0.00 -0.03 0.00 0.00 54.58 52.20 3iqf n ASN 258 Cb 0.17 -0.30 0.01 0.00 -0.61 0.00 0.00 39.78 39.05 3iqf n ASN 258 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iqf n ASP 259 N 1.05 -3.35 -1.45 6.41 2.03 -0.13 -4.90 116.55 116.21 3iqf n ASP 259 Ca 0.17 -1.18 0.04 0.00 0.52 0.00 0.00 54.79 54.34 3iqf n ASP 259 Cb 0.51 -2.34 0.02 0.00 -0.72 0.00 0.00 41.12 38.59 3iqf n ASP 259 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iqf n ALA 260 N -4.66 2.38 -2.29 -1.67 0.00 -0.47 -4.01 120.51 109.78 3iqf n ALA 260 Ca -0.16 -2.34 -0.43 0.00 0.00 0.00 0.00 53.44 50.52 3iqf n ALA 260 Cb 0.60 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 3iqf n ALA 260 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iqf s VAL 261 N -0.07 3.98 0.17 0.00 1.01 -1.15 -4.59 120.40 119.74 3iqf s VAL 261 Ca 0.33 1.12 -0.32 0.00 0.00 0.00 0.00 61.98 63.12 3iqf s VAL 261 Cb 0.38 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 3iqf s VAL 261 CO -0.16 -0.34 1.60 -0.22 0.00 0.00 0.00 175.10 175.98 3iqf s LEU 262 N 4.51 4.37 -0.06 3.92 2.96 -1.26 -4.28 118.68 128.84 3iqf s LEU 262 Ca 0.62 2.66 0.02 0.00 -0.22 0.00 0.00 54.13 57.21 3iqf s LEU 262 Cb -0.21 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.90 3iqf s LEU 262 CO 0.24 -0.86 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.19 3iqf s ARG 263 N 1.22 1.39 -0.56 1.98 0.52 -0.37 -5.01 118.95 118.12 3iqf s ARG 263 Ca 0.71 -0.30 0.06 0.00 -0.52 0.00 0.00 55.73 55.68 3iqf s ARG 263 Cb -0.45 -1.21 0.23 0.00 0.52 0.00 0.00 34.95 34.04 3iqf s ARG 263 CO 0.31 -0.02 0.59 0.25 0.02 0.00 0.00 175.30 176.46 3iqf n THR 264 N 3.94 0.98 -2.04 0.02 -2.24 -1.26 -1.22 114.28 112.46 3iqf n THR 264 Ca -0.23 -4.62 -0.32 0.00 -2.27 0.00 0.00 64.05 56.60 3iqf n THR 264 Cb 0.51 -2.03 0.01 0.00 -2.10 0.00 0.00 70.33 66.72 3iqf n THR 264 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iqf s PRO 265 N -1.65 3.42 0.17 -0.78 0.04 -1.24 -4.62 135.00 130.33 3iqf s PRO 265 Ca 0.35 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.23 3iqf s PRO 265 Cb 0.11 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 3iqf s PRO 265 CO -0.09 -0.72 0.77 -1.01 0.04 0.00 0.00 177.00 175.99 3iqf s HIS 266 N -2.62 3.90 0.70 0.56 3.76 -1.26 -0.03 115.29 120.30 3iqf s HIS 266 Ca 0.61 1.62 -0.11 0.00 -0.15 0.00 0.00 55.06 57.03 3iqf s HIS 266 Cb -0.14 -2.75 0.01 0.00 1.11 0.00 0.00 32.58 30.81 3iqf s HIS 266 CO 0.39 0.51 1.08 0.00 -0.85 0.00 0.00 174.74 175.87 3iqf s ALA 267 N -1.16 2.78 0.44 -1.40 0.00 0.68 -4.91 121.76 118.19 3iqf s ALA 267 Ca 0.36 -0.20 0.20 0.00 0.00 0.00 0.00 51.96 52.31 3iqf s ALA 267 Cb -0.23 -3.07 1.15 0.00 0.00 0.00 0.00 23.12 20.97 3iqf s ALA 267 CO 0.26 -1.17 1.85 -1.35 0.00 0.00 0.00 175.76 175.36 3iqf h PRO 268 N -0.67 0.33 -0.12 0.00 0.11 -1.89 0.11 132.00 129.87 3iqf h PRO 268 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3iqf h PRO 268 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3iqf h PRO 268 CO 0.62 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 3iqf n ASP 269 N -4.48 0.80 0.00 -2.05 5.75 -1.26 -0.33 116.55 114.97 3iqf n ASP 269 Ca 0.20 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 3iqf n ASP 269 Cb 0.75 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 3iqf n ASP 269 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iqf n GLY 270 N 0.84 2.63 3.68 6.12 0.00 0.39 -4.76 105.19 114.09 3iqf n GLY 270 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 3iqf n GLY 270 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iqf n LYS 271 N -2.00 2.12 -3.08 1.61 4.81 -1.26 -4.57 118.16 115.78 3iqf n LYS 271 Ca 0.00 0.75 -0.41 0.00 -0.87 0.00 0.00 58.31 57.78 3iqf n LYS 271 Cb 0.00 -2.43 -0.06 0.00 0.02 0.00 0.00 35.03 32.56 3iqf n LYS 271 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3iqf s VAL 272 N -0.07 4.92 0.69 3.15 1.01 -1.26 -0.23 120.40 128.60 3iqf s VAL 272 Ca 0.67 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.60 3iqf s VAL 272 Cb -0.63 -4.02 0.11 0.00 0.00 0.00 0.00 36.38 31.84 3iqf s VAL 272 CO 0.50 -0.14 0.95 -0.76 0.00 0.00 0.00 175.10 175.65 3iqf s LEU 273 N 2.65 3.03 -0.11 3.92 1.43 0.96 -4.98 118.68 125.59 3iqf s LEU 273 Ca 0.26 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 3iqf s LEU 273 Cb -0.15 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 43.99 3iqf s LEU 273 CO 0.11 -1.72 0.38 -0.55 0.23 0.00 0.00 176.35 174.81 3iqf s SER 274 N -4.68 -0.36 0.19 2.29 0.15 -1.26 -3.68 113.70 106.35 3iqf s SER 274 Ca 0.65 0.59 -0.19 0.00 0.70 0.00 0.00 55.95 57.70 3iqf s SER 274 Cb -0.06 0.65 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 3iqf s SER 274 CO 0.43 -0.25 0.55 -1.59 1.20 0.00 0.00 173.24 173.58 3iqf s LYS 275 N -0.29 1.38 0.00 5.44 -2.85 -0.35 -1.48 119.74 121.59 3iqf s LYS 275 Ca -0.04 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 3iqf s LYS 275 Cb -0.03 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 3iqf s LYS 275 CO 0.02 -0.59 0.00 0.54 0.10 0.00 0.00 175.35 175.42 3iqf n ARG 276 N -0.35 0.00 -2.49 1.78 5.12 -1.26 -1.23 116.66 118.23 3iqf n ARG 276 Ca -0.11 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.40 3iqf n ARG 276 Cb 0.63 -0.48 -0.04 0.00 -1.16 0.00 0.00 32.46 31.41 3iqf n ARG 276 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3iqf s LYS 277 N -1.97 4.56 0.24 5.56 1.02 -1.26 -2.95 119.74 124.93 3iqf s LYS 277 Ca 0.00 1.74 -0.05 0.00 0.02 0.00 0.00 55.97 57.68 3iqf s LYS 277 Cb 0.00 -3.28 0.43 0.00 -0.52 0.00 0.00 37.83 34.45 3iqf s LYS 277 CO 0.00 0.01 1.72 0.35 -0.92 0.00 0.00 175.35 176.51 3iqf h PHE 278 N 5.34 0.42 -0.12 3.18 3.04 -1.91 -1.02 116.94 125.88 3iqf h PHE 278 Ca -0.44 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.55 3iqf h PHE 278 Cb 1.21 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.65 3iqf h PHE 278 CO 0.63 0.02 0.00 -1.33 -2.02 0.00 0.00 178.31 175.62 3iqf n MET 279 N -5.05 1.80 -3.10 1.11 2.81 -1.26 -4.89 117.12 108.55 3iqf n MET 279 Ca 0.13 -1.19 -0.39 0.00 -1.81 0.00 0.00 57.70 54.44 3iqf n MET 279 Cb 0.40 -1.44 -0.06 0.00 -0.71 0.00 0.00 33.22 31.41 3iqf n MET 279 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3iqf s GLU 280 N -1.86 4.41 0.27 0.03 -1.05 -0.39 -5.04 118.70 115.07 3iqf s GLU 280 Ca 0.35 0.96 -0.30 0.00 -0.15 0.00 0.00 54.97 55.83 3iqf s GLU 280 Cb 0.19 -3.29 -0.10 0.00 -0.44 0.00 0.00 34.13 30.50 3iqf s GLU 280 CO 0.30 0.51 1.35 -0.51 0.95 0.00 0.00 175.26 177.85 3iqf s ASP 281 N -0.79 6.78 0.30 0.83 1.01 -1.26 -4.87 116.67 118.67 3iqf s ASP 281 Ca 0.34 2.59 -0.29 0.00 0.71 0.00 0.00 52.55 55.90 3iqf s ASP 281 Cb -0.21 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 40.99 3iqf s ASP 281 CO 0.22 -0.58 1.32 -2.16 0.21 0.00 0.00 175.17 174.18 3iqf s PRO 282 N -0.85 4.36 0.00 8.23 0.04 -1.26 -4.83 135.00 140.69 3iqf s PRO 282 Ca 0.54 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.77 3iqf s PRO 282 Cb -0.39 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3iqf s PRO 282 CO 0.45 -0.21 0.04 0.39 0.04 0.00 0.00 177.00 177.71