#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 4.40 0.24 12.58 1.01 -1.26 -4.65 120.40 132.72 3iqf s VAL 3 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 3iqf s VAL 3 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 3iqf s VAL 3 CO 0.00 0.24 0.88 0.00 0.00 0.00 0.00 175.10 176.21 3iqf s ALA 4 N 1.61 3.34 -0.02 5.51 0.00 0.50 -4.91 121.76 127.79 3iqf s ALA 4 Ca 0.06 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.54 3iqf s ALA 4 Cb -0.16 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3iqf s ALA 4 CO 0.05 0.23 -0.17 0.15 0.00 0.00 0.00 175.76 176.02 3iqf s LYS 5 N -1.51 1.56 0.00 0.00 1.02 -1.26 -0.95 119.74 118.60 3iqf s LYS 5 Ca 0.43 -0.62 -0.11 0.00 0.02 0.00 0.00 55.97 55.68 3iqf s LYS 5 Cb -0.22 -1.45 0.01 0.00 -0.52 0.00 0.00 37.83 35.66 3iqf s LYS 5 CO 0.27 0.33 0.23 0.00 -0.92 0.00 0.00 175.35 175.26 3iqf s ALA 6 N -0.24 -0.56 -0.13 5.17 0.00 -1.05 0.72 121.76 125.68 3iqf s ALA 6 Ca 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 3iqf s ALA 6 Cb -0.09 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3iqf s ALA 6 CO 0.00 -0.26 -0.07 0.42 0.00 0.00 0.00 175.76 175.85 3iqf s ILE 7 N -1.53 3.59 -0.19 0.00 1.01 -1.02 -1.58 121.20 121.48 3iqf s ILE 7 Ca -0.13 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 3iqf s ILE 7 Cb -0.06 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 3iqf s ILE 7 CO 0.02 0.53 0.01 -0.36 0.00 0.00 0.00 174.94 175.14 3iqf s PHE 8 N 0.09 3.08 -0.19 3.97 0.40 0.67 -0.63 117.98 125.36 3iqf s PHE 8 Ca -0.02 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.96 3iqf s PHE 8 Cb -0.14 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 3iqf s PHE 8 CO 0.03 -0.14 -0.06 0.42 0.70 0.00 0.00 175.22 176.18 3iqf s ILE 9 N 0.83 3.39 -0.26 0.64 1.01 0.18 -1.13 121.20 125.85 3iqf s ILE 9 Ca 0.01 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3iqf s ILE 9 Cb -0.14 -2.51 0.05 0.00 0.01 0.00 0.00 42.46 39.87 3iqf s ILE 9 CO 0.02 0.45 -0.09 -0.54 0.00 0.00 0.00 174.94 174.79 3iqf s LYS 10 N 1.09 2.37 -0.08 2.79 1.02 -0.25 -0.64 119.74 126.03 3iqf s LYS 10 Ca 0.01 -1.28 0.02 0.00 0.02 0.00 0.00 55.97 54.74 3iqf s LYS 10 Cb -0.15 -2.94 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 3iqf s LYS 10 CO -0.01 -0.55 -0.12 0.00 -0.92 0.00 0.00 175.35 173.76 3iqf n GLY 12 N 4.09 -1.97 2.88 0.00 0.00 -0.18 -4.27 105.19 105.74 3iqf n GLY 12 Ca -0.20 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.81 -0.04 0.19 1.61 2.47 -1.26 -4.63 114.94 109.47 3iqf s ASN 13 Ca 0.00 0.18 0.07 0.00 0.42 0.00 0.00 52.86 53.53 3iqf s ASN 13 Cb 0.00 0.09 -0.05 0.00 -1.45 0.00 0.00 41.25 39.85 3iqf s ASN 13 CO 0.00 -0.11 -0.15 -0.76 -3.72 0.00 0.00 177.10 172.36 3iqf s LEU 14 N 0.86 2.53 0.27 3.21 1.02 -1.26 -4.57 118.68 120.74 3iqf s LEU 14 Ca -0.07 -0.99 -0.02 0.00 0.02 0.00 0.00 54.13 53.07 3iqf s LEU 14 Cb -0.09 -0.66 0.41 0.00 0.02 0.00 0.00 46.19 45.87 3iqf s LEU 14 CO -0.03 -0.16 1.90 1.23 0.02 0.00 0.00 176.35 179.30 3iqf h GLY 15 N 2.72 1.44 1.15 -3.19 0.00 -1.94 -1.48 103.07 101.79 3iqf h GLY 15 Ca -0.39 -0.47 -0.24 0.00 0.00 0.00 0.00 47.33 46.24 3iqf h GLY 15 CO 0.60 0.37 -0.90 -0.84 0.00 0.00 0.00 176.54 175.77 3iqf h THR 16 N 1.18 1.29 -0.04 4.70 2.02 -1.97 -2.83 112.91 117.25 3iqf h THR 16 Ca 0.41 -2.11 -0.13 0.00 0.77 0.00 0.00 66.41 65.34 3iqf h THR 16 Cb 0.10 2.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 3iqf h THR 16 CO -0.15 0.66 -0.58 0.77 0.37 0.00 0.00 175.52 176.59 3iqf h SER 17 N 0.41 0.15 -0.91 4.18 4.64 -1.87 0.63 113.55 120.78 3iqf h SER 17 Ca -0.09 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.17 3iqf h SER 17 Cb 1.54 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 63.54 3iqf h SER 17 CO 0.18 0.70 0.59 -0.03 -0.87 0.00 0.00 176.83 177.40 3iqf h MET 18 N 0.10 1.14 0.00 4.77 -1.53 -1.24 -3.28 114.93 114.89 3iqf h MET 18 Ca -0.00 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 3iqf h MET 18 Cb 1.06 -0.26 0.00 0.00 -0.55 0.00 0.00 31.60 31.85 3iqf h MET 18 CO 0.08 0.75 -1.22 -1.33 0.14 0.00 0.00 176.91 175.34 3iqf n MET 19 N -4.49 0.52 -0.15 0.39 2.81 -0.97 -4.76 117.12 110.47 3iqf n MET 19 Ca 0.11 -0.05 -0.03 0.00 -1.81 0.00 0.00 57.70 55.92 3iqf n MET 19 Cb 0.06 -1.45 0.06 0.00 -0.71 0.00 0.00 33.22 31.19 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 0.27 -0.45 0.03 -0.00 -0.95 -1.99 114.93 111.84 3iqf h MET 20 Ca 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 59.70 59.55 3iqf h MET 20 Cb 0.60 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 3iqf h MET 20 CO 0.00 0.18 -0.23 0.38 -0.00 0.00 0.00 176.91 177.24 3iqf h ASP 21 N 0.27 0.98 0.65 -0.10 2.03 -1.85 -3.19 116.42 115.22 3iqf h ASP 21 Ca 0.24 -0.41 -0.04 0.00 -0.73 0.00 0.00 57.03 56.09 3iqf h ASP 21 Cb 0.29 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.51 3iqf h ASP 21 CO -0.28 1.17 -0.18 0.24 -1.03 0.00 0.00 179.24 179.16 3iqf h MET 22 N 0.79 0.00 0.00 4.15 2.86 -1.70 -2.11 114.93 118.92 3iqf h MET 22 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3iqf h MET 22 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 3iqf h MET 22 CO 0.07 0.18 0.00 -0.07 1.06 0.00 0.00 176.91 178.15 3iqf h LEU 23 N 0.00 0.00 -0.08 1.22 3.38 -1.39 -3.06 115.31 115.38 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 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3iqf h LEU 23 CO 0.02 0.00 -0.57 0.18 0.09 0.00 0.00 178.44 178.16 3iqf n LEU 24 N -2.87 0.71 -2.86 1.67 4.77 -0.79 -4.56 117.00 113.07 3iqf n LEU 24 Ca 0.00 -0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 3iqf n LEU 24 Cb 0.23 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3iqf n LEU 24 CO 0.23 0.17 0.13 -0.67 -1.33 0.00 0.00 177.39 175.92 3iqf n ASP 25 N -1.36 -1.77 0.30 -1.43 2.03 -1.16 -4.98 116.55 108.17 3iqf n ASP 25 Ca 0.06 -3.35 0.18 0.00 0.52 0.00 0.00 54.79 52.21 3iqf n ASP 25 Cb 0.34 1.22 0.90 0.00 -0.72 0.00 0.00 41.12 42.86 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 3.46 0.00 -0.04 -0.67 9.09 -1.79 -1.23 114.58 123.40 3iqf h GLU 26 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 3iqf h GLU 26 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3iqf h GLU 26 CO 0.29 0.03 0.00 0.54 0.05 0.00 0.00 179.01 179.92 3iqf n ARG 27 N -3.22 2.92 -2.01 1.06 1.74 -1.26 -5.00 116.66 110.89 3iqf n ARG 27 Ca -0.01 -1.61 -0.19 0.00 -0.77 0.00 0.00 57.85 55.26 3iqf n ARG 27 Cb 0.20 -1.05 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 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 -0.41 -0.48 0.11 7.54 0.00 -0.46 -4.88 120.51 121.92 3iqf n ALA 28 Ca 0.02 0.23 0.07 0.00 0.00 0.00 0.00 53.44 53.76 3iqf n ALA 28 Cb 0.29 -2.01 0.13 0.00 0.00 0.00 0.00 19.45 17.86 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 -1.61 2.72 -4.72 0.00 5.68 -1.26 -4.97 116.55 112.39 3iqf n ASP 29 Ca -0.21 -1.82 -0.42 0.00 -0.50 0.00 0.00 54.79 51.84 3iqf n ASP 29 Cb 0.66 -0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.44 3iqf n ASP 29 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3iqf s ARG 30 N -1.06 4.38 0.00 0.11 0.52 -1.26 -4.40 118.95 117.25 3iqf s ARG 30 Ca 0.23 1.97 0.24 0.00 -0.52 0.00 0.00 55.73 57.65 3iqf s ARG 30 Cb 0.13 -3.26 0.23 0.00 0.52 0.00 0.00 34.95 32.57 3iqf s ARG 30 CO 0.18 -0.31 1.23 0.39 0.02 0.00 0.00 175.30 176.82 3iqf n GLU 31 N 3.46 0.99 -0.22 3.54 1.02 0.58 -4.43 120.64 125.58 3iqf n GLU 31 Ca 0.09 -0.76 0.07 0.00 -0.02 0.00 0.00 57.16 56.54 3iqf n GLU 31 Cb 0.44 -1.48 0.19 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.34 3.17 -4.00 1.62 3.85 -1.26 -4.76 116.55 114.82 3iqf n ASP 32 Ca 0.10 -1.98 -0.09 0.00 -0.71 0.00 0.00 54.79 52.11 3iqf n ASP 32 Cb 0.42 -0.29 -0.11 0.00 -1.35 0.00 0.00 41.12 39.79 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 -1.01 0.15 -0.10 2.12 -7.23 -1.26 -0.37 120.40 112.70 3iqf s VAL 33 Ca 0.30 -1.07 -0.04 0.00 -1.81 0.00 0.00 61.98 59.36 3iqf s VAL 33 Cb 0.16 -0.49 0.05 0.00 0.56 0.00 0.00 36.38 36.66 3iqf s VAL 33 CO 0.21 -0.58 0.21 -0.70 -0.31 0.00 0.00 175.10 173.93 3iqf s GLU 34 N -1.87 0.13 0.15 4.82 2.12 -0.12 -4.90 118.70 119.02 3iqf s GLU 34 Ca -0.12 0.54 0.11 0.00 0.36 0.00 0.00 54.97 55.86 3iqf s GLU 34 Cb -0.07 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.13 3iqf s GLU 34 CO -0.02 -0.22 -0.26 -0.06 -0.54 0.00 0.00 175.26 174.16 3iqf s PHE 35 N 1.69 2.31 0.02 5.30 2.99 -1.26 -2.53 117.98 126.50 3iqf s PHE 35 Ca -0.05 -0.37 0.08 0.00 0.00 0.00 0.00 56.93 56.59 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 0.39 -0.23 1.03 -0.00 0.00 0.00 175.22 176.34 3iqf s ARG 36 N -2.26 1.67 -0.09 0.44 1.81 -0.61 -4.99 118.95 114.92 3iqf s ARG 36 Ca 0.16 -0.94 0.02 0.00 -1.72 0.00 0.00 55.73 53.25 3iqf s ARG 36 Cb -0.09 -1.74 0.01 0.00 -0.45 0.00 0.00 34.95 32.68 3iqf s ARG 36 CO 0.07 0.46 -0.13 0.08 -0.68 0.00 0.00 175.30 175.10 3iqf s VAL 37 N -0.70 1.30 0.06 3.52 1.01 -1.26 -0.23 120.40 124.09 3iqf s VAL 37 Ca 0.09 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3iqf s VAL 37 Cb -0.09 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3iqf s VAL 37 CO 0.01 0.40 -0.06 0.68 0.00 0.00 0.00 175.10 176.12 3iqf s VAL 38 N 0.85 0.51 -0.05 2.92 -7.23 -0.29 -4.97 120.40 112.14 3iqf s VAL 38 Ca -0.10 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 3iqf s VAL 38 Cb -0.15 -1.02 0.10 0.00 0.56 0.00 0.00 36.38 35.87 3iqf s VAL 38 CO 0.01 -0.62 1.33 -0.83 -0.31 0.00 0.00 175.10 174.68 3iqf s GLY 39 N -2.19 -0.21 -0.24 2.32 0.00 -1.26 -1.09 107.32 104.65 3iqf s GLY 39 Ca -0.02 0.20 0.11 0.00 0.00 0.00 0.00 44.72 45.01 3iqf s GLY 39 CO -0.03 5.26 1.37 -1.30 0.00 0.00 0.00 173.10 178.40 3iqf n THR 40 N -0.87 2.38 -2.13 0.90 -2.24 -1.12 -4.95 114.28 106.24 3iqf n THR 40 Ca 0.03 -2.70 0.00 0.00 -2.27 0.00 0.00 64.05 59.11 3iqf n THR 40 Cb 0.59 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.08 0.00 0.11 3.42 2.88 -1.26 -2.85 113.62 114.84 3iqf n SER 41 Ca 0.27 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.94 3iqf n SER 41 Cb 0.90 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.79 3iqf n SER 41 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3iqf n VAL 42 N 0.00 0.62 -2.63 2.46 0.24 -1.26 -1.01 118.33 116.75 3iqf n VAL 42 Ca 0.00 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 3iqf n VAL 42 Cb 0.00 -0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 31.65 3iqf n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3iqf s LYS 43 N -3.14 4.39 -0.07 7.34 1.02 -1.13 -3.19 119.74 124.96 3iqf s LYS 43 Ca 0.10 1.46 0.19 0.00 0.02 0.00 0.00 55.97 57.73 3iqf s LYS 43 Cb 0.12 -3.56 0.38 0.00 -0.52 0.00 0.00 37.83 34.26 3iqf s LYS 43 CO 0.55 -0.37 1.17 0.00 -0.92 0.00 0.00 175.35 175.78 3iqf n MET 44 N 5.17 0.57 -1.27 1.68 0.00 -1.26 -3.93 117.12 118.07 3iqf n MET 44 Ca 0.10 -2.36 -0.31 0.00 0.00 0.00 0.00 57.70 55.12 3iqf n MET 44 Cb 0.48 -0.63 0.09 0.00 0.00 0.00 0.00 33.22 33.16 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 -2.35 4.44 0.36 3.17 -4.77 -1.26 -3.82 116.67 112.43 3iqf s ASP 45 Ca 0.32 1.88 0.07 0.00 -3.30 0.00 0.00 52.55 51.52 3iqf s ASP 45 Cb 0.35 -2.53 0.76 0.00 -1.09 0.00 0.00 42.92 40.41 3iqf s ASP 45 CO -0.11 -2.08 1.92 -0.65 0.70 0.00 0.00 175.17 174.95 3iqf h PRO 46 N -1.05 0.72 -0.52 2.11 0.11 -1.86 -0.71 132.00 130.81 3iqf h PRO 46 Ca -0.44 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 3iqf h PRO 46 Cb 1.24 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3iqf h PRO 46 CO 0.51 0.48 -0.13 1.05 -0.21 0.00 0.00 178.00 179.69 3iqf h GLU 47 N 0.74 1.00 -0.22 1.05 4.11 -1.96 -0.87 114.58 118.44 3iqf h GLU 47 Ca 0.37 -0.39 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 3iqf h GLU 47 Cb 0.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3iqf h GLU 47 CO -0.14 1.07 -0.01 0.00 0.07 0.00 0.00 179.01 180.00 3iqf h VAL 49 N 0.14 1.22 -0.74 0.00 2.07 -1.11 0.61 116.25 118.43 3iqf h VAL 49 Ca 0.06 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.96 3iqf h VAL 49 Cb 0.41 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3iqf h VAL 49 CO 0.01 0.26 0.45 -0.08 0.02 0.00 0.00 177.57 178.23 3iqf h GLU 50 N 0.73 0.81 -0.76 1.57 4.81 -1.14 0.12 114.58 120.71 3iqf h GLU 50 Ca 0.18 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3iqf h GLU 50 Cb 0.19 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3iqf h GLU 50 CO -0.02 0.54 0.29 0.00 -0.73 0.00 0.00 179.01 179.09 3iqf h ALA 51 N 1.35 1.00 -0.03 2.92 0.00 -0.72 0.19 119.26 123.98 3iqf h ALA 51 Ca 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 51 Cb 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3iqf h ALA 51 CO -0.16 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.75 3iqf h ALA 52 N 1.15 0.03 -0.54 0.00 0.00 -0.28 -1.15 119.26 118.46 3iqf h ALA 52 Ca 0.25 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3iqf h ALA 52 Cb 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3iqf h ALA 52 CO -0.02 -0.41 0.01 0.28 0.00 0.00 0.00 179.25 179.10 3iqf h VAL 53 N -0.07 1.25 -0.41 0.00 2.07 -0.62 -1.46 116.25 117.02 3iqf h VAL 53 Ca 0.01 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 3iqf h VAL 53 Cb 0.11 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3iqf h VAL 53 CO -0.00 0.38 -0.03 -0.33 0.02 0.00 0.00 177.57 177.61 3iqf h GLU 54 N 0.85 0.68 -0.13 1.57 5.08 -0.84 -0.00 114.58 121.79 3iqf h GLU 54 Ca 0.16 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3iqf h GLU 54 Cb 0.50 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3iqf h GLU 54 CO 0.02 0.72 -0.10 0.52 -1.00 0.00 0.00 179.01 179.17 3iqf h MET 55 N 0.64 -0.11 -0.22 2.33 2.86 -0.23 0.09 114.93 120.30 3iqf h MET 55 Ca 0.12 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3iqf h MET 55 Cb 0.45 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3iqf h MET 55 CO 0.02 -0.07 0.09 0.00 1.06 0.00 0.00 176.91 178.01 3iqf h ALA 56 N 0.99 0.25 -0.18 6.32 0.00 -0.75 -0.84 119.26 125.05 3iqf h ALA 56 Ca 0.08 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3iqf h ALA 56 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iqf h ALA 56 CO -0.20 -0.33 -0.37 -0.07 0.00 0.00 0.00 179.25 178.28 3iqf h LEU 57 N 0.20 0.39 -0.21 0.00 3.38 -0.89 0.22 115.31 118.40 3iqf h LEU 57 Ca 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3iqf h LEU 57 Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3iqf h LEU 57 CO -0.08 0.73 0.09 0.44 0.09 0.00 0.00 178.44 179.70 3iqf h ASP 58 N 0.32 0.28 -0.21 -0.43 3.32 -0.70 -2.73 116.42 116.27 3iqf h ASP 58 Ca 0.03 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 3iqf h ASP 58 Cb 0.80 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3iqf h ASP 58 CO 0.06 0.36 0.01 0.40 -1.72 0.00 0.00 179.24 178.35 3iqf h ILE 59 N 0.18 1.18 -0.59 0.35 2.04 -0.82 -3.09 117.51 116.77 3iqf h ILE 59 Ca 0.07 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 3iqf h ILE 59 Cb 0.16 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3iqf h ILE 59 CO -0.01 0.25 0.34 0.00 0.00 0.00 0.00 178.15 178.73 3iqf h ALA 60 N 1.55 1.49 -0.63 1.87 0.00 -0.27 -0.33 119.26 122.94 3iqf h ALA 60 Ca 0.10 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3iqf h ALA 60 Cb 0.30 -0.24 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 3iqf h ALA 60 CO 0.01 0.44 -0.23 1.49 0.00 0.00 0.00 179.25 180.95 3iqf h GLU 61 N 0.81 -0.06 0.03 0.00 4.81 -1.43 0.25 114.58 118.98 3iqf h GLU 61 Ca 0.21 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.12 3iqf h GLU 61 Cb -0.01 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 3iqf h GLU 61 CO -0.04 -0.04 -1.95 -0.25 -0.73 0.00 0.00 179.01 176.00 3iqf n ASP 62 N -5.45 1.08 0.05 1.04 8.00 -1.03 -4.40 116.55 115.84 3iqf n ASP 62 Ca 0.07 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.73 3iqf n ASP 62 Cb 0.35 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.41 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 0.55 -5.54 1.24 3.57 -0.77 -3.48 116.94 112.52 3iqf h PHE 63 Ca -0.39 -0.23 -0.28 0.00 3.53 0.00 0.00 57.97 60.60 3iqf h PHE 63 Cb 2.05 -0.09 0.19 0.00 2.79 0.00 0.00 35.95 40.89 3iqf h PHE 63 CO 0.02 0.98 -0.84 0.39 -2.23 0.00 0.00 178.31 176.62 3iqf n GLU 64 N -3.86 -3.18 -2.14 1.11 1.02 0.85 -4.96 120.64 109.48 3iqf n GLU 64 Ca -0.04 0.84 -0.34 0.00 -0.02 0.00 0.00 57.16 57.60 3iqf n GLU 64 Cb 0.68 -5.75 0.01 0.00 -0.02 0.00 0.00 31.44 26.37 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 -4.71 3.23 0.22 3.49 0.04 -1.26 -4.85 135.00 131.16 3iqf s PRO 65 Ca 0.35 1.54 0.10 0.00 0.04 0.00 0.00 61.00 63.04 3iqf s PRO 65 Cb -0.05 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.62 3iqf s PRO 65 CO 0.75 -0.94 1.47 -0.44 0.04 0.00 0.00 177.00 177.88 3iqf h ASP 66 N 0.90 0.00 -5.07 6.66 5.19 -0.07 -3.47 116.42 120.55 3iqf h ASP 66 Ca -0.49 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 55.94 3iqf h ASP 66 Cb 1.26 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.70 3iqf h ASP 66 CO 0.56 0.75 0.11 0.72 -3.12 0.00 0.00 179.24 178.26 3iqf s PHE 67 N -3.17 -0.06 -0.02 4.55 -0.12 -1.20 -4.28 117.98 113.68 3iqf s PHE 67 Ca 0.00 -0.35 0.04 0.00 -0.05 0.00 0.00 56.93 56.57 3iqf s PHE 67 Cb 0.11 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 43.02 3iqf s PHE 67 CO 0.78 -1.11 -0.13 0.42 -0.05 0.00 0.00 175.22 175.12 3iqf s ILE 68 N -3.93 1.06 -0.09 -4.49 1.01 -0.10 -2.43 121.20 112.23 3iqf s ILE 68 Ca 0.13 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3iqf s ILE 68 Cb -0.04 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 3iqf s ILE 68 CO 0.05 0.31 -0.15 -0.69 0.00 0.00 0.00 174.94 174.46 3iqf s VAL 69 N -0.17 2.96 -0.17 2.92 1.01 0.19 -1.30 120.40 125.84 3iqf s VAL 69 Ca 0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 3iqf s VAL 69 Cb -0.07 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 3iqf s VAL 69 CO 0.00 0.56 -0.14 -0.47 0.00 0.00 0.00 175.10 175.05 3iqf s TYR 70 N -0.20 2.81 -0.07 5.22 6.14 -0.21 0.49 117.35 131.54 3iqf s TYR 70 Ca -0.00 -1.08 0.03 0.00 0.64 0.00 0.00 57.07 56.66 3iqf s TYR 70 Cb -0.13 -1.93 0.01 0.00 0.42 0.00 0.00 41.96 40.33 3iqf s TYR 70 CO 0.03 -0.51 -0.14 0.20 0.64 0.00 0.00 175.55 175.77 3iqf s GLY 71 N 0.96 0.85 0.00 8.97 0.00 0.19 -0.33 107.32 117.96 3iqf s GLY 71 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3iqf s GLY 71 CO -0.02 0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.72 3iqf n GLY 72 N 3.72 -0.17 3.74 0.20 0.00 -0.85 -2.72 105.19 109.11 3iqf n GLY 72 Ca -0.22 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 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 2.38 -0.45 1.61 0.02 -1.26 -4.22 135.00 131.08 3iqf s PRO 73 Ca 0.00 1.68 -0.33 0.00 0.02 0.00 0.00 61.00 62.37 3iqf s PRO 73 Cb 0.00 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.70 3iqf s PRO 73 CO 0.00 -1.63 0.61 -1.71 -0.33 0.00 0.00 177.00 173.94 3iqf n ASN 74 N -2.53 -4.96 0.27 2.53 2.85 -1.26 -4.85 115.26 107.31 3iqf n ASN 74 Ca 0.13 -0.23 0.13 0.00 -0.11 0.00 0.00 54.58 54.50 3iqf n ASN 74 Cb 0.51 -1.46 0.60 0.00 1.24 0.00 0.00 39.78 40.66 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 1.73 0.00 0.00 1.20 0.11 -1.87 0.36 132.00 133.53 3iqf h PRO 75 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3iqf h PRO 75 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3iqf h PRO 75 CO 0.22 0.00 -0.27 0.00 -0.21 0.00 0.00 178.00 177.75 3iqf n ALA 76 N -1.88 2.65 -1.34 -0.75 0.00 -1.26 -3.52 120.51 114.42 3iqf n ALA 76 Ca 0.01 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 3iqf n ALA 76 Cb 0.61 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.09 2.22 0.21 0.00 0.00 0.11 -4.74 121.76 116.47 3iqf s ALA 77 Ca 0.10 0.13 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 3iqf s ALA 77 Cb 0.14 -3.23 0.28 0.00 0.00 0.00 0.00 23.12 20.32 3iqf s ALA 77 CO 0.64 -1.75 1.74 -1.35 0.00 0.00 0.00 175.76 175.04 3iqf h PRO 78 N -1.11 0.39 0.90 0.00 0.11 -1.91 -0.67 132.00 129.70 3iqf h PRO 78 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3iqf h PRO 78 Cb 1.24 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.27 3iqf h PRO 78 CO 0.54 0.25 -0.43 0.78 -0.21 0.00 0.00 178.00 178.93 3iqf h GLY 79 N 0.40 -1.27 0.51 -0.55 0.00 -1.84 -2.41 103.07 97.92 3iqf h GLY 79 Ca 0.31 0.47 0.16 0.00 0.00 0.00 0.00 47.33 48.27 3iqf h GLY 79 CO -0.31 -0.46 0.56 -2.55 0.00 0.00 0.00 176.54 173.77 3iqf h PRO 80 N -1.32 0.50 -0.50 4.80 0.11 -1.74 -0.93 132.00 132.92 3iqf h PRO 80 Ca -0.12 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.91 3iqf h PRO 80 Cb 0.93 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 3iqf h PRO 80 CO 0.20 0.33 0.12 0.77 -0.21 0.00 0.00 178.00 179.22 3iqf h SER 81 N 0.52 0.71 -0.58 -2.05 0.02 -1.02 0.14 113.55 111.29 3iqf h SER 81 Ca 0.43 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 3iqf h SER 81 Cb 0.89 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3iqf h SER 81 CO -0.17 0.70 0.15 0.50 -1.14 0.00 0.00 176.83 176.87 3iqf h LYS 82 N 0.74 0.92 -0.49 3.45 1.63 -0.67 -1.38 116.57 120.76 3iqf h LYS 82 Ca 0.16 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 3iqf h LYS 82 Cb 0.28 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 3iqf h LYS 82 CO -0.00 0.85 0.25 0.00 -3.45 0.00 0.00 179.45 177.09 3iqf h ALA 83 N 1.03 0.62 -0.30 5.00 0.00 -0.65 -0.51 119.26 124.45 3iqf h ALA 83 Ca 0.18 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3iqf h ALA 83 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3iqf h ALA 83 CO 0.00 0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.57 3iqf h ARG 84 N 0.64 0.31 -0.04 0.00 3.08 -0.80 0.23 114.38 117.80 3iqf h ARG 84 Ca 0.17 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3iqf h ARG 84 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3iqf h ARG 84 CO -0.02 0.20 0.00 1.49 -1.07 0.00 0.00 179.97 180.57 3iqf h GLU 85 N 0.32 0.02 -0.75 0.04 4.81 -1.00 0.14 114.58 118.15 3iqf h GLU 85 Ca 0.12 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3iqf h GLU 85 Cb 0.04 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3iqf h GLU 85 CO -0.08 0.01 0.33 0.52 -0.73 0.00 0.00 179.01 179.06 3iqf h MET 86 N 0.02 1.11 -0.13 1.92 2.86 -0.80 -1.93 114.93 117.97 3iqf h MET 86 Ca 0.02 -0.18 -0.19 0.00 -2.06 0.00 0.00 59.70 57.29 3iqf h MET 86 Cb 0.02 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 31.50 3iqf h MET 86 CO -0.03 0.88 -0.65 -0.07 1.06 0.00 0.00 176.91 178.10 3iqf h LEU 87 N 1.07 0.80 -0.91 1.22 3.38 -0.41 -2.20 115.31 118.26 3iqf h LEU 87 Ca 0.26 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 57.64 3iqf h LEU 87 Cb 0.17 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3iqf h LEU 87 CO -0.03 1.31 0.58 0.00 0.09 0.00 0.00 178.44 180.39 3iqf h ALA 88 N 0.52 1.22 0.00 1.53 0.00 -0.70 -1.91 119.26 119.92 3iqf h ALA 88 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iqf h ALA 88 Cb 1.29 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3iqf h ALA 88 CO 0.14 0.39 -0.01 -0.44 0.00 0.00 0.00 179.25 179.32 3iqf h ASP 89 N 1.09 0.00 -4.18 0.00 3.32 -1.27 -3.46 116.42 111.92 3iqf h ASP 89 Ca 0.38 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.97 3iqf h ASP 89 Cb 0.09 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.77 3iqf h ASP 89 CO -0.15 0.01 0.28 -0.94 -1.72 0.00 0.00 179.24 176.73 3iqf s SER 90 N -5.88 3.40 0.00 6.45 1.04 -0.72 -4.95 113.70 113.04 3iqf s SER 90 Ca 0.03 1.01 0.26 0.00 0.48 0.00 0.00 55.95 57.74 3iqf s SER 90 Cb 0.08 -1.61 1.42 0.00 0.10 0.00 0.00 66.02 66.01 3iqf s SER 90 CO 0.59 -2.63 1.90 -1.84 0.98 0.00 0.00 173.24 172.25 3iqf n GLU 91 N -3.82 0.56 -3.74 4.02 0.28 -1.26 -4.87 120.64 111.81 3iqf n GLU 91 Ca 0.06 0.03 -0.35 0.00 -0.16 0.00 0.00 57.16 56.74 3iqf n GLU 91 Cb 0.59 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.88 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 -2.34 3.43 0.33 -1.84 2.02 -1.26 -5.05 117.35 112.64 3iqf s TYR 92 Ca 0.31 0.36 -0.27 0.00 -0.37 0.00 0.00 57.07 57.09 3iqf s TYR 92 Cb 0.18 -2.14 -0.13 0.00 -0.40 0.00 0.00 41.96 39.47 3iqf s TYR 92 CO 0.36 0.33 1.15 -2.30 -1.57 0.00 0.00 175.55 173.52 3iqf n PRO 93 N 3.36 1.73 -3.88 -1.71 -0.02 -1.26 -4.83 135.00 128.39 3iqf n PRO 93 Ca -0.16 0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 61.82 3iqf n PRO 93 Cb 0.52 -2.11 -0.09 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.11 -0.28 -0.03 3.55 0.00 -1.26 -0.92 121.76 121.71 3iqf s ALA 94 Ca 0.58 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.33 3iqf s ALA 94 Cb -0.62 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3iqf s ALA 94 CO 0.61 -0.26 -0.15 0.08 0.00 0.00 0.00 175.76 176.03 3iqf s VAL 95 N -1.88 1.27 -0.24 0.00 1.01 -0.42 -0.97 120.40 119.16 3iqf s VAL 95 Ca -0.11 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3iqf s VAL 95 Cb -0.05 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3iqf s VAL 95 CO -0.01 0.37 0.07 -0.63 0.00 0.00 0.00 175.10 174.90 3iqf s ILE 96 N -0.09 4.35 -0.22 2.22 -1.09 0.32 -1.04 121.20 125.65 3iqf s ILE 96 Ca -0.00 -0.16 -0.12 0.00 -2.23 0.00 0.00 60.65 58.14 3iqf s ILE 96 Cb -0.09 -3.03 -0.05 0.00 -1.58 0.00 0.00 42.46 37.71 3iqf s ILE 96 CO 0.01 0.35 0.23 -0.63 -1.23 0.00 0.00 174.94 173.67 3iqf s ILE 97 N 1.50 5.32 0.00 2.92 1.09 0.55 -0.84 121.20 131.75 3iqf s ILE 97 Ca 0.06 0.35 0.00 0.00 -1.10 0.00 0.00 60.65 59.96 3iqf s ILE 97 Cb -0.15 -3.57 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 3iqf s ILE 97 CO 0.04 0.33 0.00 0.61 -0.10 0.00 0.00 174.94 175.82 3iqf n GLY 98 N 4.05 3.49 1.11 6.18 0.00 -0.51 -2.00 105.19 117.51 3iqf n GLY 98 Ca -0.13 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.47 2.17 -0.32 1.61 3.85 -1.26 -0.48 116.55 121.65 3iqf n ASP 99 Ca 0.00 -1.69 -0.01 0.00 -0.71 0.00 0.00 54.79 52.38 3iqf n ASP 99 Cb 0.00 0.15 0.16 0.00 -1.35 0.00 0.00 41.12 40.08 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 1.11 1.34 -0.25 2.12 0.00 -1.80 -1.07 119.26 120.71 3iqf h ALA 100 Ca -0.13 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3iqf h ALA 100 Cb 0.39 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3iqf h ALA 100 CO 0.21 0.61 0.38 -1.35 0.00 0.00 0.00 179.25 179.10 3iqf h PRO 101 N 1.24 0.00 -0.06 0.00 0.11 -1.96 0.14 132.00 131.47 3iqf h PRO 101 Ca 0.33 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.46 3iqf h PRO 101 Cb -0.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 3iqf h PRO 101 CO -0.07 0.00 0.12 0.78 -0.21 0.00 0.00 178.00 178.62 3iqf h GLY 102 N 0.00 0.00 2.00 -0.55 0.00 -1.54 -2.83 103.07 100.15 3iqf h GLY 102 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3iqf h GLY 102 CO -0.00 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 177.89 3iqf h LEU 103 N 0.00 0.00 -2.26 3.11 3.38 -1.12 -1.46 115.31 116.96 3iqf h LEU 103 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3iqf h LEU 103 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3iqf h LEU 103 CO -0.00 0.05 -0.05 0.11 0.09 0.00 0.00 178.44 178.65 3iqf h LYS 104 N 0.00 0.00 -0.07 1.13 1.57 -1.71 -2.84 116.57 114.66 3iqf h LYS 104 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iqf h LYS 104 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3iqf h LYS 104 CO 0.01 0.05 0.00 1.33 -0.57 0.00 0.00 179.45 180.26 3iqf n VAL 105 N -3.41 1.76 0.04 0.50 0.24 -0.57 -4.78 118.33 112.12 3iqf n VAL 105 Ca -0.02 -1.91 -0.12 0.00 -2.04 0.00 0.00 64.34 60.25 3iqf n VAL 105 Cb 0.17 -0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.40 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 0.45 -0.01 -0.42 7.34 3.64 -1.31 0.20 116.57 126.45 3iqf h LYS 106 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3iqf h LYS 106 Cb 0.98 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 3iqf h LYS 106 CO 0.04 -0.01 -0.11 -0.44 -2.27 0.00 0.00 179.45 176.67 3iqf h ASP 107 N -0.01 0.72 -0.58 4.20 3.32 -1.86 -1.90 116.42 120.31 3iqf h ASP 107 Ca 0.00 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 56.89 3iqf h ASP 107 Cb 0.01 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 3iqf h ASP 107 CO -0.00 0.86 0.31 -0.08 -1.72 0.00 0.00 179.24 178.61 3iqf h GLU 108 N 0.67 0.57 -0.79 3.56 4.81 -1.76 -1.84 114.58 119.81 3iqf h GLU 108 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3iqf h GLU 108 Cb 0.57 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 3iqf h GLU 108 CO 0.04 0.38 0.51 0.52 -0.73 0.00 0.00 179.01 179.72 3iqf h MET 109 N 0.59 1.05 -0.61 1.92 2.86 -0.11 0.11 114.93 120.74 3iqf h MET 109 Ca 0.26 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3iqf h MET 109 Cb 0.15 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3iqf h MET 109 CO -0.17 0.71 0.40 0.93 1.06 0.00 0.00 176.91 179.85 3iqf h GLU 110 N 1.07 0.79 0.00 1.72 5.08 -0.97 -1.44 114.58 120.83 3iqf h GLU 110 Ca 0.29 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3iqf h GLU 110 Cb -0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3iqf h GLU 110 CO -0.06 0.52 -0.33 1.49 -1.00 0.00 0.00 179.01 179.63 3iqf h GLU 111 N 0.82 0.00 0.00 2.33 4.81 -1.03 -2.01 114.58 119.49 3iqf h GLU 111 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3iqf h GLU 111 Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3iqf h GLU 111 CO -0.06 0.33 0.00 1.96 -0.73 0.00 0.00 179.01 180.51 3iqf h GLN 112 N 0.00 0.00 0.00 1.92 4.20 -0.16 -3.47 115.11 117.60 3iqf h GLN 112 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3iqf h GLN 112 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3iqf h GLN 112 CO 0.04 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.61 3iqf n GLY 113 N 0.14 0.39 3.88 3.46 0.00 -0.74 -4.79 105.19 107.53 3iqf n GLY 113 Ca 0.02 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 4.36 0.71 0.99 1.43 -0.62 -4.76 118.68 120.79 3iqf s LEU 114 Ca 0.00 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 3iqf s LEU 114 Cb 0.00 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.48 3iqf s LEU 114 CO 0.00 0.23 1.10 -0.83 0.23 0.00 0.00 176.35 177.07 3iqf s GLY 115 N -1.79 1.63 -0.02 -3.19 0.00 -0.15 -4.38 107.32 99.42 3iqf s GLY 115 Ca 0.29 -0.37 -0.21 0.00 0.00 0.00 0.00 44.72 44.43 3iqf s GLY 115 CO 0.17 -0.00 0.46 -2.52 0.00 0.00 0.00 173.10 171.21 3iqf s TYR 116 N -3.36 -0.37 -0.23 1.90 1.13 0.67 -0.52 117.35 116.57 3iqf s TYR 116 Ca 0.58 0.57 -0.01 0.00 -1.41 0.00 0.00 57.07 56.80 3iqf s TYR 116 Cb -0.11 0.23 0.07 0.00 -1.10 0.00 0.00 41.96 41.05 3iqf s TYR 116 CO 0.51 -0.50 0.03 0.42 -2.51 0.00 0.00 175.55 173.51 3iqf s ILE 117 N -1.44 0.87 -0.25 -3.49 1.01 -0.02 -0.94 121.20 116.95 3iqf s ILE 117 Ca -0.12 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.52 3iqf s ILE 117 Cb -0.03 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3iqf s ILE 117 CO 0.05 -0.30 0.08 -0.76 0.00 0.00 0.00 174.94 174.02 3iqf s LEU 118 N 1.68 3.52 -0.48 2.97 1.43 0.14 -1.42 118.68 126.52 3iqf s LEU 118 Ca 0.00 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 3iqf s LEU 118 Cb -0.18 -1.95 0.13 0.00 0.03 0.00 0.00 46.19 44.22 3iqf s LEU 118 CO -0.12 -0.03 0.30 -0.69 0.23 0.00 0.00 176.35 176.05 3iqf s VAL 119 N 1.57 3.63 0.21 -1.59 1.01 0.36 -0.28 120.40 125.31 3iqf s VAL 119 Ca 0.06 -2.20 -0.10 0.00 0.00 0.00 0.00 61.98 59.74 3iqf s VAL 119 Cb -0.15 -3.43 0.15 0.00 0.00 0.00 0.00 36.38 32.95 3iqf s VAL 119 CO 0.04 -0.76 1.85 0.11 0.00 0.00 0.00 175.10 176.34 3iqf h LYS 120 N 7.91 0.84 0.00 2.72 1.57 -1.33 -2.55 116.57 125.74 3iqf h LYS 120 Ca -0.12 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3iqf h LYS 120 Cb 1.03 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3iqf h LYS 120 CO 0.74 0.56 0.00 -2.30 -0.57 0.00 0.00 179.45 177.88 3iqf n PRO 121 N -4.66 0.12 -2.10 3.15 -0.02 -1.26 -4.33 135.00 125.89 3iqf n PRO 121 Ca 0.08 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 3iqf n PRO 121 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 -1.35 4.36 -4.76 2.55 -0.08 -0.96 -4.37 116.55 111.94 3iqf n ASP 122 Ca 0.05 -2.89 -0.39 0.00 -1.51 0.00 0.00 54.79 50.05 3iqf n ASP 122 Cb 0.11 -1.68 -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 3.40 3.32 0.36 -1.67 0.00 -1.26 -4.77 121.76 121.13 3iqf s ALA 123 Ca 0.49 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 3iqf s ALA 123 Cb 0.10 -3.19 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 3iqf s ALA 123 CO -0.02 0.21 1.52 1.41 0.00 0.00 0.00 175.76 178.88 3iqf s MET 124 N -1.38 4.10 0.86 0.00 1.75 -1.26 -4.92 119.30 118.45 3iqf s MET 124 Ca 0.43 2.59 -0.08 0.00 -1.25 0.00 0.00 55.69 57.38 3iqf s MET 124 Cb -0.24 -2.98 0.19 0.00 2.84 0.00 0.00 34.83 34.64 3iqf s MET 124 CO 0.30 -0.57 1.17 1.47 -0.65 0.00 0.00 175.02 176.74 3iqf n LEU 125 N 0.91 0.00 -4.18 4.11 -0.00 -1.26 -4.50 117.00 112.08 3iqf n LEU 125 Ca 0.03 -1.81 -0.43 0.00 -0.00 0.00 0.00 56.01 53.80 3iqf n LEU 125 Cb 0.39 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 3iqf n LEU 125 CO 0.64 -1.22 1.64 0.61 -0.00 0.00 0.00 177.39 179.06 3iqf n GLY 126 N -3.24 4.06 2.76 1.47 0.00 -1.26 -4.86 105.19 104.12 3iqf n GLY 126 Ca 0.17 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 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 4.70 5.70 -2.79 4.61 0.00 -1.26 -4.23 120.51 127.24 3iqf n ALA 127 Ca 0.38 -4.16 -0.32 0.00 0.00 0.00 0.00 53.44 49.33 3iqf n ALA 127 Cb 0.39 -3.08 -0.15 0.00 0.00 0.00 0.00 19.45 16.61 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 0.83 2.84 0.49 0.00 1.81 -1.26 -4.95 118.95 118.71 3iqf s ARG 128 Ca 0.44 -0.76 0.20 0.00 -1.72 0.00 0.00 55.73 53.89 3iqf s ARG 128 Cb 0.12 -2.39 1.25 0.00 -0.45 0.00 0.00 34.95 33.47 3iqf s ARG 128 CO -0.03 0.39 2.00 -0.09 -0.68 0.00 0.00 175.30 176.89 3iqf h ARG 129 N 6.08 0.15 0.00 3.54 2.43 -1.90 0.25 114.38 124.94 3iqf h ARG 129 Ca -0.34 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3iqf h ARG 129 Cb 1.18 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3iqf h ARG 129 CO 0.51 0.10 0.00 0.93 -1.51 0.00 0.00 179.97 180.00 3iqf h GLU 130 N 0.15 0.00 0.00 0.20 3.07 -1.96 -3.33 114.58 112.71 3iqf h GLU 130 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3iqf h GLU 130 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 3iqf h GLU 130 CO -0.03 0.00 -0.86 0.34 -1.40 0.00 0.00 179.01 177.06 3iqf n PHE 131 N -2.31 0.00 -3.12 4.33 7.35 -0.54 -4.99 117.46 118.18 3iqf n PHE 131 Ca 0.02 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.26 3iqf n PHE 131 Cb 0.25 0.03 -0.04 0.00 0.35 0.00 0.00 39.48 40.07 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 -5.22 5.52 0.56 -2.13 2.96 0.76 -4.86 118.68 116.28 3iqf s LEU 132 Ca 0.00 -1.64 0.09 0.00 -0.22 0.00 0.00 54.13 52.36 3iqf s LEU 132 Cb 0.00 -2.30 0.08 0.00 0.50 0.00 0.00 46.19 44.47 3iqf s LEU 132 CO 0.00 -1.05 0.73 1.51 -1.32 0.00 0.00 176.35 176.22 3iqf s ASP 133 N 3.48 5.08 0.24 3.68 -4.77 -1.26 -4.68 116.67 118.44 3iqf s ASP 133 Ca 0.14 -0.87 -0.05 0.00 -3.30 0.00 0.00 52.55 48.47 3iqf s ASP 133 Cb -0.21 0.24 0.33 0.00 -1.09 0.00 0.00 42.92 42.19 3iqf s ASP 133 CO 0.03 -1.27 1.86 -0.65 0.70 0.00 0.00 175.17 175.83 3iqf h PRO 134 N 0.28 0.97 -0.14 2.11 0.11 -1.99 -1.16 132.00 132.18 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 32.17 3iqf h PRO 134 CO 0.43 0.64 0.09 0.28 -0.21 0.00 0.00 178.00 179.24 3iqf h VAL 135 N 1.00 1.05 -0.79 3.15 2.07 -1.98 -1.26 116.25 119.50 3iqf h VAL 135 Ca 0.37 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.79 3iqf h VAL 135 Cb 0.14 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3iqf h VAL 135 CO -0.16 0.05 0.52 -0.08 0.02 0.00 0.00 177.57 177.91 3iqf h GLU 136 N 0.18 1.04 -0.66 1.57 4.57 -1.83 0.12 114.58 119.57 3iqf h GLU 136 Ca 0.05 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3iqf h GLU 136 Cb -0.00 -0.23 -0.06 0.00 -0.16 0.00 0.00 28.75 28.29 3iqf h GLU 136 CO -0.01 0.69 0.34 1.98 -1.18 0.00 0.00 179.01 180.83 3iqf h MET 137 N 1.07 0.60 -0.22 1.92 4.05 -1.06 0.24 114.93 121.53 3iqf h MET 137 Ca 0.29 -0.04 -0.20 0.00 -0.28 0.00 0.00 59.70 59.48 3iqf h MET 137 Cb -0.12 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.55 3iqf h MET 137 CO -0.06 0.40 -0.63 0.00 0.23 0.00 0.00 176.91 176.84 3iqf h ALA 138 N 1.37 0.45 -0.40 0.39 0.00 -0.60 -1.95 119.26 118.53 3iqf h ALA 138 Ca 0.31 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3iqf h ALA 138 Cb 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3iqf h ALA 138 CO -0.22 0.69 0.23 0.82 0.00 0.00 0.00 179.25 180.77 3iqf h ILE 139 N 0.58 1.03 -0.35 0.00 2.04 -0.49 0.13 117.51 120.46 3iqf h ILE 139 Ca -0.01 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.72 3iqf h ILE 139 Cb 1.24 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3iqf h ILE 139 CO 0.13 0.08 0.16 0.22 0.00 0.00 0.00 178.15 178.75 3iqf h TYR 140 N 0.46 0.29 -0.71 1.37 3.20 -0.92 -1.66 116.97 119.00 3iqf h TYR 140 Ca 0.16 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.07 3iqf h TYR 140 Cb 0.02 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3iqf h TYR 140 CO -0.08 0.15 0.47 -0.91 -1.64 0.00 0.00 178.16 176.15 3iqf h ASN 141 N 0.33 0.75 -0.25 -2.11 2.35 -1.06 0.15 115.58 115.74 3iqf h ASN 141 Ca 0.15 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3iqf h ASN 141 Cb 0.08 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3iqf h ASN 141 CO -0.12 0.53 0.05 0.00 -1.65 0.00 0.00 177.43 176.23 3iqf h ALA 142 N 1.58 0.34 -0.49 -0.83 0.00 -0.54 0.07 119.26 119.38 3iqf h ALA 142 Ca 0.28 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3iqf h ALA 142 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3iqf h ALA 142 CO -0.08 0.01 0.12 -0.44 0.00 0.00 0.00 179.25 178.86 3iqf h ASP 143 N 0.23 0.74 -0.66 0.00 3.32 -0.89 -1.52 116.42 117.64 3iqf h ASP 143 Ca 0.08 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3iqf h ASP 143 Cb 0.31 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3iqf h ASP 143 CO 0.00 0.78 0.28 0.25 -1.72 0.00 0.00 179.24 178.83 3iqf h LEU 144 N 0.66 0.89 -0.49 1.55 5.85 -0.63 -1.74 115.31 121.41 3iqf h LEU 144 Ca 0.15 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3iqf h LEU 144 Cb 0.33 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3iqf h LEU 144 CO 0.00 0.81 0.29 -0.03 -0.34 0.00 0.00 178.44 179.17 3iqf h MET 145 N 0.92 0.67 -0.80 1.25 4.05 -0.89 0.21 114.93 120.33 3iqf h MET 145 Ca 0.22 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.61 3iqf h MET 145 Cb 0.18 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 3iqf h MET 145 CO -0.02 0.49 0.51 -0.22 0.23 0.00 0.00 176.91 177.90 3iqf h LYS 146 N 0.65 0.97 0.41 0.39 1.63 -1.08 0.38 116.57 119.92 3iqf h LYS 146 Ca 0.18 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 3iqf h LYS 146 Cb 0.00 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.42 3iqf h LYS 146 CO -0.03 0.64 -0.20 0.28 -3.45 0.00 0.00 179.45 176.69 3iqf h VAL 147 N 1.00 0.60 -0.15 2.00 2.07 -0.72 0.14 116.25 121.19 3iqf h VAL 147 Ca 0.32 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.70 3iqf h VAL 147 Cb 0.02 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3iqf h VAL 147 CO -0.12 0.02 -0.18 -0.07 0.02 0.00 0.00 177.57 177.24 3iqf h LEU 148 N -0.59 0.25 0.28 2.57 3.38 -0.77 -2.18 115.31 118.25 3iqf h LEU 148 Ca -0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3iqf h LEU 148 Cb 0.45 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3iqf h LEU 148 CO 0.09 0.44 -0.14 0.00 0.09 0.00 0.00 178.44 178.93 3iqf h ALA 149 N 1.58 -0.43 0.00 1.53 0.00 -0.81 -1.15 119.26 119.99 3iqf h ALA 149 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iqf h ALA 149 Cb 0.46 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3iqf h ALA 149 CO 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.88 3iqf h ALA 150 N -1.25 1.00 0.00 0.00 0.00 -0.72 -1.24 119.26 117.04 3iqf h ALA 150 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iqf h ALA 150 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3iqf h ALA 150 CO 0.06 0.00 -0.15 1.79 0.00 0.00 0.00 179.25 180.96 3iqf h THR 151 N 0.00 0.00 0.00 0.00 1.35 -1.57 -3.44 112.91 109.25 3iqf h THR 151 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3iqf h THR 151 Cb 0.50 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3iqf h THR 151 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3iqf n GLY 152 N 1.30 0.70 0.28 5.82 0.00 -0.47 -4.97 105.19 107.84 3iqf n GLY 152 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 1.13 -0.18 1.61 2.07 -1.62 -2.16 116.25 117.10 3iqf h VAL 153 Ca 0.00 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3iqf h VAL 153 Cb 0.00 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3iqf h VAL 153 CO 0.00 0.17 0.02 -0.26 0.02 0.00 0.00 177.57 177.51 3iqf h PHE 154 N 0.91 0.25 -0.47 1.57 0.05 -1.49 -2.09 116.94 115.68 3iqf h PHE 154 Ca 0.28 -0.01 -0.12 0.00 3.82 0.00 0.00 57.97 61.94 3iqf h PHE 154 Cb -0.04 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 37.82 3iqf h PHE 154 CO -0.03 0.25 -0.19 -0.09 -0.18 0.00 0.00 178.31 178.07 3iqf h ARG 155 N 0.25 0.93 -1.00 1.51 2.43 -1.68 0.17 114.38 116.99 3iqf h ARG 155 Ca 0.06 -0.37 0.03 0.00 -0.81 0.00 0.00 59.98 58.89 3iqf h ARG 155 Cb 0.15 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3iqf h ARG 155 CO 0.00 1.03 0.66 0.28 -1.51 0.00 0.00 179.97 180.42 3iqf h VAL 156 N 0.81 1.21 -0.14 0.20 2.07 -1.11 0.07 116.25 119.35 3iqf h VAL 156 Ca 0.11 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3iqf h VAL 156 Cb 0.74 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3iqf h VAL 156 CO 0.06 0.24 -0.15 0.58 0.02 0.00 0.00 177.57 178.31 3iqf h VAL 157 N 1.29 1.35 -0.25 2.57 2.07 -1.09 -2.39 116.25 119.81 3iqf h VAL 157 Ca 0.38 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.65 3iqf h VAL 157 Cb -0.06 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 3iqf h VAL 157 CO -0.11 0.39 -0.21 -0.61 0.02 0.00 0.00 177.57 177.05 3iqf h GLN 158 N -0.02 -0.21 -0.43 1.57 4.15 -0.38 -1.86 115.11 117.93 3iqf h GLN 158 Ca 0.02 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 3iqf h GLN 158 Cb 0.69 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 3iqf h GLN 158 CO 0.04 -0.14 0.11 0.93 -1.93 0.00 0.00 178.83 177.84 3iqf h GLU 159 N -0.21 0.64 -0.30 1.69 5.08 -0.91 0.39 114.58 120.96 3iqf h GLU 159 Ca 0.14 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3iqf h GLU 159 Cb 0.43 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3iqf h GLU 159 CO -0.37 0.58 -0.07 0.00 -1.00 0.00 0.00 179.01 178.16 3iqf h ALA 160 N 1.50 0.41 -0.22 3.43 0.00 -0.88 -1.04 119.26 122.45 3iqf h ALA 160 Ca 0.14 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3iqf h ALA 160 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3iqf h ALA 160 CO -0.00 0.23 -0.48 0.74 0.00 0.00 0.00 179.25 179.73 3iqf h PHE 161 N 0.34 0.73 -0.73 0.00 -1.00 -1.14 -2.48 116.94 112.66 3iqf h PHE 161 Ca 0.08 -0.24 -0.03 0.00 2.81 0.00 0.00 57.97 60.59 3iqf h PHE 161 Cb 0.55 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 3iqf h PHE 161 CO 0.05 0.96 0.34 -0.44 -1.61 0.00 0.00 178.31 177.61 3iqf h ASP 162 N 0.47 0.94 -0.38 2.17 3.45 -0.73 0.79 116.42 123.13 3iqf h ASP 162 Ca 0.02 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.37 3iqf h ASP 162 Cb 1.02 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.53 3iqf h ASP 162 CO 0.09 0.81 0.20 -0.33 -1.57 0.00 0.00 179.24 178.44 3iqf h GLU 163 N 1.03 0.54 -0.66 3.56 5.08 -1.14 -1.62 114.58 121.37 3iqf h GLU 163 Ca 0.25 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3iqf h GLU 163 Cb 0.12 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3iqf h GLU 163 CO -0.03 0.45 0.20 1.25 -1.00 0.00 0.00 179.01 179.88 3iqf h LEU 164 N 0.49 0.97 -0.64 1.33 5.85 -0.92 -2.20 115.31 120.18 3iqf h LEU 164 Ca 0.13 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3iqf h LEU 164 Cb 0.08 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3iqf h LEU 164 CO -0.02 0.92 0.42 0.40 -0.34 0.00 0.00 178.44 179.82 3iqf h ILE 165 N 0.96 1.15 -0.75 4.05 2.04 -0.64 0.05 117.51 124.37 3iqf h ILE 165 Ca 0.21 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3iqf h ILE 165 Cb 0.30 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3iqf h ILE 165 CO -0.01 0.15 0.49 -0.33 0.00 0.00 0.00 178.15 178.46 3iqf h GLU 166 N 0.85 0.97 -0.70 2.37 4.39 -0.98 -0.94 114.58 120.54 3iqf h GLU 166 Ca 0.24 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 3iqf h GLU 166 Cb -0.07 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.33 3iqf h GLU 166 CO -0.06 0.64 0.32 0.87 -1.16 0.00 0.00 179.01 179.62 3iqf h LYS 167 N 1.00 1.01 -0.32 2.33 1.79 -0.92 -2.34 116.57 119.12 3iqf h LYS 167 Ca 0.28 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 3iqf h LYS 167 Cb -0.09 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.36 3iqf h LYS 167 CO -0.07 0.79 0.12 0.00 -1.08 0.00 0.00 179.45 179.21 3iqf h ALA 168 N 1.35 1.61 0.00 3.86 0.00 -0.15 -2.60 119.26 123.34 3iqf h ALA 168 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iqf h ALA 168 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iqf h ALA 168 CO -0.03 0.31 0.00 0.87 0.00 0.00 0.00 179.25 180.40 3iqf h LYS 169 N 0.45 0.00 -0.75 0.00 1.57 -0.63 -0.26 116.57 116.94 3iqf h LYS 169 Ca 0.11 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.45 3iqf h LYS 169 Cb 0.11 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.17 3iqf h LYS 169 CO -0.01 0.00 0.29 0.39 -0.57 0.00 0.00 179.45 179.55 3iqf n GLU 170 N -2.63 2.36 0.00 3.15 -0.58 -0.98 -4.94 120.64 117.02 3iqf n GLU 170 Ca 0.02 -3.27 0.00 0.00 -0.42 0.00 0.00 57.16 53.49 3iqf n GLU 170 Cb 0.27 -2.09 0.00 0.00 -0.57 0.00 0.00 31.44 29.05 3iqf n GLU 170 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3iqf n ASP 171 N -1.04 0.00 -3.56 1.62 4.64 -0.11 -4.73 116.55 113.36 3iqf n ASP 171 Ca 0.50 0.00 -0.40 0.00 -1.38 0.00 0.00 54.79 53.51 3iqf n ASP 171 Cb 1.16 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 41.22 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 2.78 -2.46 -0.67 4.71 -1.25 -4.85 120.64 118.91 3iqf n GLU 172 Ca 0.00 -2.28 -0.42 0.00 -0.01 0.00 0.00 57.16 54.45 3iqf n GLU 172 Cb 0.00 -3.04 -0.02 0.00 -1.01 0.00 0.00 31.44 27.37 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 3.25 3.93 0.41 -3.67 1.01 -1.26 -4.89 121.20 119.98 3iqf s ILE 173 Ca 0.54 0.87 0.08 0.00 0.00 0.00 0.00 60.65 62.13 3iqf s ILE 173 Cb 0.15 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3iqf s ILE 173 CO -0.04 -1.09 0.51 -0.94 0.00 0.00 0.00 174.94 173.38 3iqf s SER 174 N 3.68 5.56 0.28 3.58 1.04 -1.26 -4.94 113.70 121.63 3iqf s SER 174 Ca 0.52 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.49 3iqf s SER 174 Cb -0.10 -0.71 0.66 0.00 0.10 0.00 0.00 66.02 65.97 3iqf s SER 174 CO 0.28 -0.69 1.66 -0.08 0.98 0.00 0.00 173.24 175.40 3iqf h GLU 175 N 0.77 0.25 -0.06 4.02 4.57 -1.95 -0.43 114.58 121.74 3iqf h GLU 175 Ca -0.41 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.77 3iqf h GLU 175 Cb 1.27 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3iqf h GLU 175 CO 0.49 0.17 0.06 -0.97 -1.18 0.00 0.00 179.01 177.57 3iqf h ASN 176 N 0.26 0.00 1.25 1.04 -1.24 -1.97 -2.09 115.58 112.82 3iqf h ASN 176 Ca 0.53 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.54 3iqf h ASN 176 Cb 1.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.07 3iqf h ASN 176 CO -0.60 0.00 -0.34 0.44 -1.29 0.00 0.00 177.43 175.64 3iqf h ASP 177 N 0.00 0.00 -3.42 1.15 3.45 -1.46 -3.47 116.42 112.68 3iqf h ASP 177 Ca 0.03 -0.09 -0.52 0.00 0.43 0.00 0.00 57.03 56.88 3iqf h ASP 177 Cb 0.15 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.93 3iqf h ASP 177 CO -0.00 0.04 0.57 -0.76 -1.57 0.00 0.00 179.24 177.52 3iqf s LEU 178 N -4.66 4.43 0.43 1.55 1.43 -0.79 -4.83 118.68 116.25 3iqf s LEU 178 Ca 0.08 2.20 -0.26 0.00 -1.03 0.00 0.00 54.13 55.12 3iqf s LEU 178 Cb 0.12 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.65 3iqf s LEU 178 CO 0.67 -0.40 1.42 -2.16 0.23 0.00 0.00 176.35 176.11 3iqf s PRO 179 N 0.02 3.79 -0.49 1.29 0.04 -1.26 -4.85 135.00 133.53 3iqf s PRO 179 Ca 0.54 2.41 0.05 0.00 0.04 0.00 0.00 61.00 64.04 3iqf s PRO 179 Cb -0.32 -2.72 0.19 0.00 0.04 0.00 0.00 34.50 31.69 3iqf s PRO 179 CO 0.35 -0.73 0.45 1.63 0.04 0.00 0.00 177.00 178.74 3iqf n LYS 180 N -0.05 0.85 -4.95 4.56 5.02 -1.21 -0.23 118.16 122.15 3iqf n LYS 180 Ca 0.04 -3.60 -0.33 0.00 -2.02 0.00 0.00 58.31 52.41 3iqf n LYS 180 Cb 0.42 -1.76 -0.14 0.00 -0.02 0.00 0.00 35.03 33.53 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 -0.75 2.64 -0.20 -0.35 1.43 -0.11 -4.98 118.68 116.35 3iqf s LEU 181 Ca 0.32 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3iqf s LEU 181 Cb 0.06 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.79 3iqf s LEU 181 CO -0.16 0.34 -0.12 -0.69 0.23 0.00 0.00 176.35 175.95 3iqf s VAL 182 N -0.68 1.76 -0.17 -1.59 1.01 -1.26 -0.69 120.40 118.78 3iqf s VAL 182 Ca 0.11 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3iqf s VAL 182 Cb -0.11 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3iqf s VAL 182 CO 0.00 0.24 0.00 -0.63 0.00 0.00 0.00 175.10 174.71 3iqf s ILE 183 N 1.36 4.24 0.05 2.22 1.01 0.62 -4.93 121.20 125.77 3iqf s ILE 183 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 3iqf s ILE 183 Cb -0.16 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3iqf s ILE 183 CO -0.09 0.48 0.07 -0.90 0.00 0.00 0.00 174.94 174.51 3iqf n ASP 184 N 3.53 -0.21 -0.27 3.58 5.68 -1.26 -0.94 116.55 126.66 3iqf n ASP 184 Ca -0.17 -1.25 0.09 0.00 -0.50 0.00 0.00 54.79 52.96 3iqf n ASP 184 Cb 0.52 0.38 0.23 0.00 -1.14 0.00 0.00 41.12 41.11 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 0.27 0.00 0.11 2.43 -1.88 -1.51 114.38 113.80 3iqf h ARG 185 Ca -0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3iqf h ARG 185 Cb 0.16 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3iqf h ARG 185 CO 0.05 0.18 0.00 -0.91 -1.51 0.00 0.00 179.97 177.78 3iqf h ASN 186 N 0.28 0.00 -0.77 -3.80 2.35 -1.96 -2.75 115.58 108.92 3iqf h ASN 186 Ca 0.47 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.35 3iqf h ASN 186 Cb 0.86 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.17 3iqf h ASN 186 CO -0.55 0.00 0.51 0.74 -1.65 0.00 0.00 177.43 176.48 3iqf h THR 187 N 0.00 0.86 0.00 2.81 2.02 -1.63 -1.12 112.91 115.85 3iqf h THR 187 Ca 0.00 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3iqf h THR 187 Cb 0.47 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3iqf h THR 187 CO 0.00 0.10 -0.07 -0.07 0.37 0.00 0.00 175.52 175.86 3iqf h LEU 188 N 0.56 0.00 -1.98 2.58 3.38 -1.64 -2.10 115.31 116.11 3iqf h LEU 188 Ca 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 3iqf h LEU 188 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3iqf h LEU 188 CO -0.14 0.07 -0.01 -0.07 0.09 0.00 0.00 178.44 178.38 3iqf h LEU 189 N 0.00 0.00 -2.75 1.67 3.38 -1.40 -2.85 115.31 113.36 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 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3iqf h LEU 189 CO 0.01 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 3iqf n GLU 190 N -3.12 2.73 -4.53 1.13 1.02 -0.79 -4.96 120.64 112.12 3iqf n GLU 190 Ca -0.01 -2.51 -0.28 0.00 -0.02 0.00 0.00 57.16 54.34 3iqf n GLU 190 Cb 0.23 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.03 2.04 -0.32 3.49 0.52 -1.08 -5.05 118.95 117.53 3iqf s ARG 191 Ca 0.43 -2.09 0.12 0.00 -0.52 0.00 0.00 55.73 53.67 3iqf s ARG 191 Cb 0.23 -1.70 0.46 0.00 0.52 0.00 0.00 34.95 34.46 3iqf s ARG 191 CO 0.30 -0.11 1.12 -1.91 0.02 0.00 0.00 175.30 174.72 3iqf n GLU 192 N -1.07 2.81 0.07 3.54 2.13 -1.26 -4.86 120.64 122.00 3iqf n GLU 192 Ca -0.06 -3.97 -0.12 0.00 0.66 0.00 0.00 57.16 53.66 3iqf n GLU 192 Cb 0.66 -1.98 -0.07 0.00 0.27 0.00 0.00 31.44 30.33 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 2.48 -0.10 -5.20 5.31 4.57 -1.96 -3.43 114.58 116.24 3iqf h GLU 193 Ca 0.17 0.01 -0.62 0.00 -1.18 0.00 0.00 59.36 57.74 3iqf h GLU 193 Cb 1.29 0.02 -0.15 0.00 -0.16 0.00 0.00 28.75 29.75 3iqf h GLU 193 CO 0.61 -0.07 -0.53 -0.06 -1.18 0.00 0.00 179.01 177.78 3iqf s PHE 194 N -6.17 3.30 0.17 0.92 0.08 -1.26 -4.59 117.98 110.42 3iqf s PHE 194 Ca -0.14 0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.01 3iqf s PHE 194 Cb 0.06 -2.16 0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3iqf s PHE 194 CO 0.66 0.13 1.44 1.49 -0.10 0.00 0.00 175.22 178.84 3iqf h GLU 195 N 7.03 0.57 -5.56 0.44 4.22 -1.85 -3.44 114.58 115.99 3iqf h GLU 195 Ca -0.38 -0.41 -0.59 0.00 0.08 0.00 0.00 59.36 58.06 3iqf h GLU 195 Cb 1.16 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.39 3iqf h GLU 195 CO 0.70 1.03 -0.30 1.21 -2.18 0.00 0.00 179.01 179.46 3iqf s ASN 196 N -6.97 6.49 0.38 1.04 2.47 -1.26 -4.98 114.94 112.11 3iqf s ASN 196 Ca -0.07 0.57 0.10 0.00 0.42 0.00 0.00 52.86 53.88 3iqf s ASN 196 Cb 0.10 -2.19 0.75 0.00 -1.45 0.00 0.00 41.25 38.46 3iqf s ASN 196 CO 0.85 0.12 1.87 1.55 -3.72 0.00 0.00 177.10 177.78 3iqf h PRO 197 N 6.45 0.15 0.00 0.43 0.13 -2.00 -2.38 132.00 134.78 3iqf h PRO 197 Ca -0.43 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 3iqf h PRO 197 Cb 1.17 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3iqf h PRO 197 CO 0.74 0.38 -0.55 1.88 -0.23 0.00 0.00 178.00 180.22 3iqf h TYR 198 N 0.14 0.00 -0.32 1.56 0.05 -1.98 -1.41 116.97 115.01 3iqf h TYR 198 Ca 0.02 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 3iqf h TYR 198 Cb 0.50 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 3iqf h TYR 198 CO 0.00 0.55 -0.09 0.00 -1.05 0.00 0.00 178.16 177.58 3iqf h ALA 199 N 1.45 0.44 -0.52 3.88 0.00 -1.74 0.26 119.26 123.03 3iqf h ALA 199 Ca -0.01 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.67 3iqf h ALA 199 Cb 1.06 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3iqf h ALA 199 CO 0.07 0.28 0.23 1.98 0.00 0.00 0.00 179.25 181.82 3iqf h MET 200 N 0.40 0.43 0.00 0.00 1.85 -1.29 -1.04 114.93 115.28 3iqf h MET 200 Ca 0.08 -0.03 -0.13 0.00 -0.61 0.00 0.00 59.70 59.01 3iqf h MET 200 Cb 0.59 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 3iqf h MET 200 CO 0.03 0.29 -0.62 -0.39 -0.40 0.00 0.00 176.91 175.82 3iqf h VAL 201 N 0.44 1.25 -0.70 -5.77 -1.51 -1.01 -0.62 116.25 108.34 3iqf h VAL 201 Ca 0.24 -2.28 -0.06 0.00 -1.23 0.00 0.00 66.70 63.37 3iqf h VAL 201 Cb 0.20 2.30 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 3iqf h VAL 201 CO -0.20 0.61 0.21 0.11 -1.23 0.00 0.00 177.57 177.07 3iqf h LYS 202 N 0.00 1.09 -0.63 5.19 1.57 -0.84 -1.85 116.57 121.08 3iqf h LYS 202 Ca -0.01 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 3iqf h LYS 202 Cb 1.25 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 3iqf h LYS 202 CO 0.08 0.94 0.06 0.00 -0.57 0.00 0.00 179.45 179.96 3iqf h ALA 203 N 1.10 0.90 -0.49 3.86 0.00 -0.89 -0.55 119.26 123.19 3iqf h ALA 203 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3iqf h ALA 203 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iqf h ALA 203 CO -0.01 0.66 0.24 0.52 0.00 0.00 0.00 179.25 180.67 3iqf h MET 204 N 0.99 0.70 -0.74 0.00 2.86 -1.06 -1.15 114.93 116.53 3iqf h MET 204 Ca 0.19 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3iqf h MET 204 Cb 0.49 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 3iqf h MET 204 CO 0.02 0.59 0.45 0.00 1.06 0.00 0.00 176.91 179.02 3iqf h ALA 205 N 1.08 0.99 -0.49 6.32 0.00 -1.10 0.53 119.26 126.59 3iqf h ALA 205 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 205 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3iqf h ALA 205 CO -0.02 0.19 0.29 0.00 0.00 0.00 0.00 179.25 179.71 3iqf h ALA 206 N 1.34 0.63 -0.20 0.00 0.00 -0.71 -0.27 119.26 120.06 3iqf h ALA 206 Ca 0.31 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3iqf h ALA 206 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3iqf h ALA 206 CO -0.15 0.12 -0.35 -0.07 0.00 0.00 0.00 179.25 178.80 3iqf h LEU 207 N 0.66 0.43 -0.06 0.00 3.38 -0.88 0.81 115.31 119.66 3iqf h LEU 207 Ca 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3iqf h LEU 207 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3iqf h LEU 207 CO -0.03 0.76 0.01 -0.08 0.09 0.00 0.00 178.44 179.19 3iqf h GLU 208 N 0.36 0.09 -0.24 1.13 4.57 -0.59 -0.95 114.58 118.94 3iqf h GLU 208 Ca 0.04 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 3iqf h GLU 208 Cb 0.79 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 3iqf h GLU 208 CO 0.06 0.29 0.04 0.82 -1.18 0.00 0.00 179.01 179.04 3iqf h ILE 209 N -0.13 0.88 -0.76 2.32 2.04 -0.88 -0.39 117.51 120.60 3iqf h ILE 209 Ca 0.02 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3iqf h ILE 209 Cb 0.24 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3iqf h ILE 209 CO 0.00 0.02 0.46 0.00 0.00 0.00 0.00 178.15 178.63 3iqf h ALA 210 N 1.18 1.02 -0.80 1.87 0.00 -0.79 -0.31 119.26 121.42 3iqf h ALA 210 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 210 Cb 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3iqf h ALA 210 CO -0.16 0.20 0.41 1.49 0.00 0.00 0.00 179.25 181.19 3iqf h GLU 211 N 0.86 1.14 0.00 0.00 4.81 -0.87 -2.60 114.58 117.92 3iqf h GLU 211 Ca 0.32 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3iqf h GLU 211 Cb 0.12 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3iqf h GLU 211 CO -0.15 0.87 -0.25 -0.91 -0.73 0.00 0.00 179.01 177.84 3iqf h ASN 212 N 1.13 0.00 -0.92 1.04 2.35 -0.10 -2.86 115.58 116.23 3iqf h ASN 212 Ca 0.28 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 56.14 3iqf h ASN 212 Cb 0.09 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.39 3iqf h ASN 212 CO -0.04 0.25 0.59 0.58 -1.65 0.00 0.00 177.43 177.16 3iqf h VAL 213 N 0.00 0.92 -0.84 2.81 2.07 -0.68 -2.75 116.25 117.78 3iqf h VAL 213 Ca -0.00 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.25 3iqf h VAL 213 Cb 0.50 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3iqf h VAL 213 CO 0.03 0.16 0.54 0.00 0.02 0.00 0.00 177.57 178.32 3iqf h ALA 214 N 1.56 1.11 -0.42 1.67 0.00 -1.58 -0.37 119.26 121.23 3iqf h ALA 214 Ca 0.44 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 3iqf h ALA 214 Cb 0.52 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3iqf h ALA 214 CO -0.21 0.38 -0.13 -0.44 0.00 0.00 0.00 179.25 178.85 3iqf h ASP 215 N 1.06 0.75 -0.11 0.00 3.45 -1.65 -0.37 116.42 119.56 3iqf h ASP 215 Ca 0.33 -0.23 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 3iqf h ASP 215 Cb -0.00 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.56 3iqf h ASP 215 CO -0.11 0.90 -0.01 0.58 -1.57 0.00 0.00 179.24 179.03 3iqf h VAL 216 N 0.68 1.27 -0.61 -1.35 2.07 -1.23 -1.27 116.25 115.81 3iqf h VAL 216 Ca 0.11 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.84 3iqf h VAL 216 Cb 0.61 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 3iqf h VAL 216 CO 0.04 0.25 0.30 0.28 0.02 0.00 0.00 177.57 178.46 3iqf h SER 217 N -0.09 0.41 -0.62 0.57 0.02 -1.05 -0.64 113.55 112.15 3iqf h SER 217 Ca 0.03 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3iqf h SER 217 Cb 0.39 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3iqf h SER 217 CO 0.01 0.26 0.31 0.58 -1.14 0.00 0.00 176.83 176.85 3iqf h VAL 218 N 0.56 1.21 -0.39 2.27 2.07 -0.98 0.25 116.25 121.24 3iqf h VAL 218 Ca 0.28 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3iqf h VAL 218 Cb 0.23 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3iqf h VAL 218 CO -0.21 0.24 0.21 -0.08 0.02 0.00 0.00 177.57 177.75 3iqf h GLU 219 N 0.85 0.54 0.00 1.57 4.81 -0.86 0.26 114.58 121.75 3iqf h GLU 219 Ca 0.21 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 3iqf h GLU 219 Cb 0.10 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3iqf h GLU 219 CO -0.03 0.45 -0.49 0.78 -0.73 0.00 0.00 179.01 178.99 3iqf h GLY 220 N 0.49 0.00 0.46 1.92 0.00 -0.51 0.67 103.07 106.10 3iqf h GLY 220 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.12 3iqf h GLY 220 CO -0.02 0.00 -2.09 0.00 0.00 0.00 0.00 176.54 174.43 3iqf n PHE 222 N -3.05 0.00 -0.01 0.00 3.72 0.06 -4.90 117.46 113.28 3iqf n PHE 222 Ca -0.29 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.07 3iqf n PHE 222 Cb 1.08 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.60 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 -1.30 1.31 -2.17 -4.37 0.31 -0.83 -4.99 118.33 106.29 3iqf n VAL 223 Ca 0.00 0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 64.19 3iqf n VAL 223 Cb 0.00 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.02 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 -2.36 4.30 -0.00 5.55 2.56 0.17 -4.91 118.70 124.01 3iqf s GLU 224 Ca -0.12 2.05 0.13 0.00 0.00 0.00 0.00 54.97 57.04 3iqf s GLU 224 Cb 0.02 -3.38 -0.15 0.00 2.00 0.00 0.00 34.13 32.61 3iqf s GLU 224 CO 0.17 -0.50 0.51 1.04 -0.56 0.00 0.00 175.26 175.92 3iqf n GLN 225 N 4.54 2.26 -3.37 4.30 1.13 -1.26 -4.74 117.38 120.25 3iqf n GLN 225 Ca 0.12 -0.02 -0.40 0.00 -1.94 0.00 0.00 57.00 54.76 3iqf n GLN 225 Cb 0.43 -1.16 -0.09 0.00 0.11 0.00 0.00 30.24 29.53 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 -2.48 6.23 0.46 1.08 3.68 -1.26 -4.97 116.67 119.42 3iqf s ASP 226 Ca 0.03 0.01 0.11 0.00 2.13 0.00 0.00 52.55 54.83 3iqf s ASP 226 Cb 0.10 -2.22 1.05 0.00 -1.45 0.00 0.00 42.92 40.40 3iqf s ASP 226 CO 0.54 -0.31 2.10 0.07 0.13 0.00 0.00 175.17 177.70 3iqf h LYS 227 N 8.35 0.30 -0.10 4.34 2.10 -1.97 0.21 116.57 129.80 3iqf h LYS 227 Ca -0.30 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.36 3iqf h LYS 227 Cb 1.15 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3iqf h LYS 227 CO 0.69 0.20 0.12 0.93 -2.00 0.00 0.00 179.45 179.39 3iqf h GLU 228 N 0.31 0.00 0.00 0.07 5.08 -2.01 -2.07 114.58 115.96 3iqf h GLU 228 Ca 0.09 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 58.03 3iqf h GLU 228 Cb -0.01 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 3iqf h GLU 228 CO -0.02 0.00 -2.46 0.54 -1.00 0.00 0.00 179.01 176.08 3iqf n ARG 229 N -3.74 0.59 0.12 2.33 1.74 0.01 -4.56 116.66 113.14 3iqf n ARG 229 Ca -0.01 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3iqf n ARG 229 Cb 0.22 -1.46 0.30 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.56 0.21 0.32 -1.55 -0.00 -0.59 -2.30 116.97 112.49 3iqf h TYR 230 Ca -0.63 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.73 58.04 3iqf h TYR 230 Cb 1.70 -0.05 0.00 0.00 -0.00 0.00 0.00 36.73 38.38 3iqf h TYR 230 CO -0.04 0.49 -0.15 0.28 -0.00 0.00 0.00 178.16 178.74 3iqf h VAL 231 N 0.16 0.69 -0.90 -0.90 2.07 -1.63 -0.53 116.25 115.22 3iqf h VAL 231 Ca 0.02 -0.50 0.13 0.00 0.82 0.00 0.00 66.70 67.17 3iqf h VAL 231 Cb 0.65 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 3iqf h VAL 231 CO 0.05 0.10 0.58 -0.65 0.02 0.00 0.00 177.57 177.67 3iqf h PRO 232 N -0.71 0.74 0.07 1.57 0.11 -1.79 -1.93 132.00 130.06 3iqf h PRO 232 Ca -0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 3iqf h PRO 232 Cb 0.49 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3iqf h PRO 232 CO 0.07 0.49 -0.04 0.82 -0.21 0.00 0.00 178.00 179.14 3iqf h ILE 233 N 0.76 1.07 -0.38 4.15 2.04 -1.09 0.06 117.51 124.12 3iqf h ILE 233 Ca 0.45 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 3iqf h ILE 233 Cb 0.63 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 3iqf h ILE 233 CO -0.21 0.12 -0.01 -0.37 0.00 0.00 0.00 178.15 177.69 3iqf h VAL 234 N -0.31 1.21 -0.33 1.67 -1.51 -0.94 -2.25 116.25 113.80 3iqf h VAL 234 Ca -0.01 -0.86 -0.08 0.00 -1.23 0.00 0.00 66.70 64.52 3iqf h VAL 234 Cb 0.27 0.93 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 3iqf h VAL 234 CO 0.02 0.30 -0.13 0.00 -1.23 0.00 0.00 177.57 176.53 3iqf h ALA 235 N 1.43 1.17 -0.03 5.19 0.00 -1.10 -2.54 119.26 123.37 3iqf h ALA 235 Ca 0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3iqf h ALA 235 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iqf h ALA 235 CO 0.01 0.53 -0.22 0.66 0.00 0.00 0.00 179.25 180.23 3iqf h SER 236 N 0.52 0.05 -0.47 0.00 4.64 -0.39 -1.46 113.55 116.44 3iqf h SER 236 Ca 0.09 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 3iqf h SER 236 Cb 0.53 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3iqf h SER 236 CO 0.03 0.28 -0.02 0.00 -0.87 0.00 0.00 176.83 176.25 3iqf h ALA 237 N 1.73 0.97 -0.17 5.18 0.00 -1.18 -1.45 119.26 124.34 3iqf h ALA 237 Ca 0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 3iqf h ALA 237 Cb 0.42 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iqf h ALA 237 CO 0.03 0.62 -0.61 0.45 0.00 0.00 0.00 179.25 179.74 3iqf h HIS 238 N 0.83 0.73 -0.64 0.00 3.86 -1.30 -1.99 115.15 116.64 3iqf h HIS 238 Ca 0.15 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 3iqf h HIS 238 Cb 0.52 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 3iqf h HIS 238 CO 0.03 1.03 0.33 0.93 0.86 0.00 0.00 177.93 181.12 3iqf h GLU 239 N 0.42 0.90 -0.16 2.45 4.39 -0.98 -1.87 114.58 119.73 3iqf h GLU 239 Ca -0.00 -0.10 0.01 0.00 0.34 0.00 0.00 59.36 59.60 3iqf h GLU 239 Cb 1.17 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 3iqf h GLU 239 CO 0.11 0.67 0.07 0.52 -1.16 0.00 0.00 179.01 179.23 3iqf h MET 240 N 0.90 0.16 -0.66 2.33 2.86 -1.13 -2.55 114.93 116.84 3iqf h MET 240 Ca 0.23 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 3iqf h MET 240 Cb 0.05 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3iqf h MET 240 CO -0.03 0.11 0.30 1.98 1.06 0.00 0.00 176.91 180.33 3iqf h MET 241 N 0.16 0.94 -0.73 1.72 1.85 -1.12 0.20 114.93 117.95 3iqf h MET 241 Ca 0.06 -0.13 0.03 0.00 -0.61 0.00 0.00 59.70 59.05 3iqf h MET 241 Cb 0.01 -0.17 -0.04 0.00 0.43 0.00 0.00 31.60 31.83 3iqf h MET 241 CO -0.05 0.74 0.47 -0.09 -0.40 0.00 0.00 176.91 177.58 3iqf h ARG 242 N 0.93 0.90 -0.00 0.39 2.43 -1.25 -1.34 114.38 116.44 3iqf h ARG 242 Ca 0.23 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.16 3iqf h ARG 242 Cb 0.12 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3iqf h ARG 242 CO -0.03 0.59 -0.85 0.87 -1.51 0.00 0.00 179.97 179.05 3iqf h LYS 243 N 0.92 0.16 -0.92 0.20 1.79 -0.95 -2.30 116.57 115.47 3iqf h LYS 243 Ca 0.29 -0.17 0.06 0.00 -2.18 0.00 0.00 60.65 58.65 3iqf h LYS 243 Cb -0.01 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.62 3iqf h LYS 243 CO -0.10 0.91 0.58 0.00 -1.08 0.00 0.00 179.45 179.76 3iqf h ALA 244 N 1.03 1.26 -0.45 3.86 0.00 -0.68 -1.29 119.26 122.99 3iqf h ALA 244 Ca -0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3iqf h ALA 244 Cb 1.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3iqf h ALA 244 CO 0.13 0.35 -0.06 0.00 0.00 0.00 0.00 179.25 179.66 3iqf h ALA 245 N 1.42 1.04 -0.46 0.00 0.00 -1.06 -1.36 119.26 118.84 3iqf h ALA 245 Ca 0.40 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3iqf h ALA 245 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3iqf h ALA 245 CO -0.17 0.59 -0.05 0.93 0.00 0.00 0.00 179.25 180.55 3iqf h GLU 246 N 0.72 0.79 -0.47 0.00 5.08 -0.86 -0.21 114.58 119.63 3iqf h GLU 246 Ca 0.13 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3iqf h GLU 246 Cb 0.53 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3iqf h GLU 246 CO 0.03 0.83 0.20 -0.07 -1.00 0.00 0.00 179.01 179.00 3iqf h LEU 247 N 0.72 0.64 -0.52 1.33 3.38 -0.88 -0.05 115.31 119.94 3iqf h LEU 247 Ca 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3iqf h LEU 247 Cb 0.52 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3iqf h LEU 247 CO 0.03 0.62 0.29 0.00 0.09 0.00 0.00 178.44 179.47 3iqf h ALA 248 N 1.05 0.66 -0.43 1.53 0.00 -1.04 -0.86 119.26 120.17 3iqf h ALA 248 Ca 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 248 Cb 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3iqf h ALA 248 CO -0.02 0.18 0.27 0.22 0.00 0.00 0.00 179.25 179.90 3iqf h ASP 249 N 0.69 0.44 -0.74 0.00 3.58 -0.86 -1.77 116.42 117.76 3iqf h ASP 249 Ca 0.18 -0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.68 3iqf h ASP 249 Cb 0.04 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 40.94 3iqf h ASP 249 CO -0.03 0.32 0.45 -0.08 -2.88 0.00 0.00 179.24 177.01 3iqf h GLU 250 N 0.54 0.81 -0.31 0.28 4.81 -0.73 -1.10 114.58 118.89 3iqf h GLU 250 Ca 0.17 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3iqf h GLU 250 Cb -0.02 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3iqf h GLU 250 CO -0.06 0.53 0.18 0.00 -0.73 0.00 0.00 179.01 178.93 3iqf h ALA 251 N 1.35 0.39 -0.68 2.92 0.00 -0.87 -2.14 119.26 120.24 3iqf h ALA 251 Ca 0.32 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3iqf h ALA 251 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3iqf h ALA 251 CO -0.16 -0.18 0.25 -0.09 0.00 0.00 0.00 179.25 179.08 3iqf h ARG 252 N 0.38 1.00 -0.09 0.00 2.43 -0.90 -2.55 114.38 114.65 3iqf h ARG 252 Ca 0.12 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 3iqf h ARG 252 Cb -0.01 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3iqf h ARG 252 CO -0.05 0.83 -0.26 0.93 -1.51 0.00 0.00 179.97 179.91 3iqf h GLU 253 N 0.98 0.15 -0.68 0.20 4.39 -1.06 -1.33 114.58 117.23 3iqf h GLU 253 Ca 0.23 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 3iqf h GLU 253 Cb 0.21 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3iqf h GLU 253 CO -0.02 0.41 0.36 -0.07 -1.16 0.00 0.00 179.01 178.52 3iqf h LEU 254 N 0.14 0.87 -0.60 1.33 3.38 -1.00 -0.78 115.31 118.64 3iqf h LEU 254 Ca 0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3iqf h LEU 254 Cb 0.54 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3iqf h LEU 254 CO 0.04 0.73 0.24 -0.33 0.09 0.00 0.00 178.44 179.21 3iqf h GLU 255 N 0.94 0.90 -0.85 1.13 4.39 -1.02 -2.39 114.58 117.68 3iqf h GLU 255 Ca 0.24 -0.16 0.11 0.00 0.34 0.00 0.00 59.36 59.88 3iqf h GLU 255 Cb 0.07 -0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 28.50 3iqf h GLU 255 CO -0.03 0.77 0.48 0.87 -1.16 0.00 0.00 179.01 179.94 3iqf h LYS 256 N 0.84 0.76 0.00 2.33 1.57 -1.04 -0.83 116.57 120.21 3iqf h LYS 256 Ca 0.20 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3iqf h LYS 256 Cb 0.20 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3iqf h LYS 256 CO -0.02 0.50 -0.04 0.66 -0.57 0.00 0.00 179.45 179.98 3iqf h SER 257 N 0.78 0.00 -0.47 0.86 4.64 -0.61 -1.17 113.55 117.58 3iqf h SER 257 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3iqf h SER 257 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3iqf h SER 257 CO -0.27 0.04 0.00 0.59 -0.87 0.00 0.00 176.83 176.32 3iqf n ASN 258 N -3.27 3.30 -3.90 4.97 5.03 -0.91 -4.98 115.26 115.50 3iqf n ASN 258 Ca -0.01 -1.96 -0.34 0.00 0.87 0.00 0.00 54.58 53.14 3iqf n ASN 258 Cb 0.22 -0.31 0.01 0.00 -1.02 0.00 0.00 39.78 38.68 3iqf n ASN 258 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3iqf n ASP 259 N 1.06 -3.26 -1.39 6.41 2.03 -0.44 -4.90 116.55 116.06 3iqf n ASP 259 Ca 0.17 -1.11 0.04 0.00 0.52 0.00 0.00 54.79 54.41 3iqf n ASP 259 Cb 0.51 -2.72 0.03 0.00 -0.72 0.00 0.00 41.12 38.23 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 -4.50 2.44 -2.29 -1.67 0.00 -0.36 -4.01 120.51 110.12 3iqf n ALA 260 Ca -0.17 -2.36 -0.43 0.00 0.00 0.00 0.00 53.44 50.48 3iqf n ALA 260 Cb 0.62 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.25 3.87 0.17 0.00 1.01 -1.12 -4.58 120.40 119.51 3iqf s VAL 261 Ca 0.33 0.93 -0.32 0.00 0.00 0.00 0.00 61.98 62.92 3iqf s VAL 261 Cb 0.37 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 3iqf s VAL 261 CO -0.15 -0.59 1.66 -0.22 0.00 0.00 0.00 175.10 175.79 3iqf s LEU 262 N 5.35 4.37 -0.08 3.92 2.96 -1.26 -4.25 118.68 129.69 3iqf s LEU 262 Ca 0.64 2.72 0.01 0.00 -0.22 0.00 0.00 54.13 57.28 3iqf s LEU 262 Cb -0.17 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.95 3iqf s LEU 262 CO 0.30 -0.91 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.19 3iqf s ARG 263 N 1.43 1.60 -0.59 1.98 0.52 -0.45 -5.01 118.95 118.44 3iqf s ARG 263 Ca 0.73 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 55.66 3iqf s ARG 263 Cb -0.46 -1.45 0.24 0.00 0.52 0.00 0.00 34.95 33.80 3iqf s ARG 263 CO 0.32 -0.08 0.66 0.25 0.02 0.00 0.00 175.30 176.46 3iqf n THR 264 N 4.22 1.51 -2.13 0.02 -2.24 -1.26 -1.34 114.28 113.06 3iqf n THR 264 Ca -0.19 -4.86 -0.33 0.00 -2.27 0.00 0.00 64.05 56.39 3iqf n THR 264 Cb 0.51 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 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 -2.00 3.43 0.19 -0.78 0.04 -1.23 -4.64 135.00 130.01 3iqf s PRO 265 Ca 0.37 1.20 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 3iqf s PRO 265 Cb 0.13 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 3iqf s PRO 265 CO -0.06 -0.72 0.81 -1.01 0.04 0.00 0.00 177.00 176.06 3iqf s HIS 266 N -2.41 3.91 0.74 0.56 3.76 -1.26 -0.42 115.29 120.16 3iqf s HIS 266 Ca 0.64 1.68 -0.12 0.00 -0.15 0.00 0.00 55.06 57.11 3iqf s HIS 266 Cb -0.16 -2.81 0.03 0.00 1.11 0.00 0.00 32.58 30.76 3iqf s HIS 266 CO 0.34 0.49 1.12 0.00 -0.85 0.00 0.00 174.74 175.84 3iqf s ALA 267 N -1.19 2.82 0.48 -1.40 0.00 0.50 -4.92 121.76 118.05 3iqf s ALA 267 Ca 0.38 -0.44 0.19 0.00 0.00 0.00 0.00 51.96 52.08 3iqf s ALA 267 Cb -0.23 -3.00 1.21 0.00 0.00 0.00 0.00 23.12 21.09 3iqf s ALA 267 CO 0.27 -1.31 2.00 -1.35 0.00 0.00 0.00 175.76 175.37 3iqf h PRO 268 N -0.78 0.19 -0.02 0.00 0.11 -1.89 -0.15 132.00 129.46 3iqf h PRO 268 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3iqf h PRO 268 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iqf h PRO 268 CO 0.64 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3iqf n ASP 269 N -4.44 0.24 0.00 -2.05 5.75 -1.26 -0.31 116.55 114.47 3iqf n ASP 269 Ca 0.09 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 3iqf n ASP 269 Cb 0.46 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.87 3.42 3.73 6.12 0.00 -0.07 -4.75 105.19 114.52 3iqf n GLY 270 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.93 2.37 -3.19 1.61 4.81 -1.26 -4.57 118.16 116.00 3iqf n LYS 271 Ca 0.00 0.83 -0.41 0.00 -0.87 0.00 0.00 58.31 57.86 3iqf n LYS 271 Cb 0.00 -2.48 -0.07 0.00 0.02 0.00 0.00 35.03 32.50 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 -1.11 5.01 0.62 3.15 1.01 -1.26 -0.37 120.40 127.45 3iqf s VAL 272 Ca 0.54 0.79 0.04 0.00 0.00 0.00 0.00 61.98 63.34 3iqf s VAL 272 Cb -0.53 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.02 3iqf s VAL 272 CO 0.63 -0.05 0.85 -0.76 0.00 0.00 0.00 175.10 175.77 3iqf s LEU 273 N 2.44 3.13 -0.09 3.92 1.43 0.44 -4.98 118.68 124.97 3iqf s LEU 273 Ca 0.22 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 3iqf s LEU 273 Cb -0.15 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.01 3iqf s LEU 273 CO 0.11 -1.48 0.47 -0.55 0.23 0.00 0.00 176.35 175.14 3iqf s SER 274 N -4.62 -0.43 0.20 2.29 0.15 -1.26 -3.53 113.70 106.50 3iqf s SER 274 Ca 0.62 0.58 -0.21 0.00 0.70 0.00 0.00 55.95 57.65 3iqf s SER 274 Cb -0.07 0.63 0.04 0.00 -1.71 0.00 0.00 66.02 64.91 3iqf s SER 274 CO 0.41 -0.39 0.60 -1.59 1.20 0.00 0.00 173.24 173.47 3iqf s LYS 275 N -0.72 1.44 0.00 5.44 -2.85 -0.45 -1.46 119.74 121.14 3iqf s LYS 275 Ca -0.08 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 3iqf s LYS 275 Cb -0.03 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.31 3iqf s LYS 275 CO 0.04 -0.63 0.00 0.54 0.10 0.00 0.00 175.35 175.40 3iqf n ARG 276 N -0.38 0.00 -2.62 1.78 5.12 -1.26 -1.34 116.66 117.96 3iqf n ARG 276 Ca -0.11 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.40 3iqf n ARG 276 Cb 0.63 -0.75 -0.05 0.00 -1.16 0.00 0.00 32.46 31.12 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 -1.88 4.71 0.20 5.56 1.02 -1.26 -2.79 119.74 125.30 3iqf s LYS 277 Ca 0.00 1.62 -0.11 0.00 0.02 0.00 0.00 55.97 57.50 3iqf s LYS 277 Cb 0.00 -3.27 0.23 0.00 -0.52 0.00 0.00 37.83 34.27 3iqf s LYS 277 CO 0.00 0.29 1.75 0.35 -0.92 0.00 0.00 175.35 176.82 3iqf h PHE 278 N 4.51 0.37 -0.15 3.18 3.04 -1.91 -2.04 116.94 123.93 3iqf h PHE 278 Ca -0.45 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.53 3iqf h PHE 278 Cb 1.21 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.63 3iqf h PHE 278 CO 0.61 0.11 0.00 -1.33 -2.02 0.00 0.00 178.31 175.69 3iqf n MET 279 N -4.99 1.69 -3.35 1.11 2.81 -1.26 -4.89 117.12 108.24 3iqf n MET 279 Ca 0.07 -1.04 -0.36 0.00 -1.81 0.00 0.00 57.70 54.56 3iqf n MET 279 Cb 0.23 -1.40 -0.06 0.00 -0.71 0.00 0.00 33.22 31.29 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 -1.81 4.01 0.28 0.03 -1.05 -0.77 -5.05 118.70 114.34 3iqf s GLU 280 Ca 0.33 0.52 -0.29 0.00 -0.15 0.00 0.00 54.97 55.38 3iqf s GLU 280 Cb 0.17 -3.00 -0.10 0.00 -0.44 0.00 0.00 34.13 30.77 3iqf s GLU 280 CO 0.27 0.52 1.21 -0.51 0.95 0.00 0.00 175.26 177.69 3iqf s ASP 281 N -1.58 7.03 0.29 0.83 1.01 -1.26 -4.88 116.67 118.10 3iqf s ASP 281 Ca 0.36 2.43 -0.29 0.00 0.71 0.00 0.00 52.55 55.75 3iqf s ASP 281 Cb -0.16 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.04 3iqf s ASP 281 CO 0.19 -0.35 1.22 -2.16 0.21 0.00 0.00 175.17 174.28 3iqf s PRO 282 N -1.30 4.48 0.00 8.23 0.04 -1.26 -4.81 135.00 140.38 3iqf s PRO 282 Ca 0.48 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3iqf s PRO 282 Cb -0.35 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3iqf s PRO 282 CO 0.45 -0.02 0.00 0.39 0.04 0.00 0.00 177.00 177.85