#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 3.85 0.25 2.28 1.01 -1.26 -4.67 120.40 121.86 3iqf s VAL 3 Ca 0.00 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 3iqf s VAL 3 Cb 0.00 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.46 3iqf s VAL 3 CO 0.00 0.31 0.91 0.00 0.00 0.00 0.00 175.10 176.32 3iqf s ALA 4 N 1.53 3.32 -0.03 5.51 0.00 -0.13 -4.91 121.76 127.05 3iqf s ALA 4 Ca 0.05 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.61 3iqf s ALA 4 Cb -0.15 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 3iqf s ALA 4 CO 0.01 0.21 -0.20 0.15 0.00 0.00 0.00 175.76 175.94 3iqf s LYS 5 N -1.44 1.77 0.03 0.00 1.02 -1.26 -0.80 119.74 119.06 3iqf s LYS 5 Ca 0.43 -0.70 -0.07 0.00 0.02 0.00 0.00 55.97 55.65 3iqf s LYS 5 Cb -0.23 -1.62 -0.00 0.00 -0.52 0.00 0.00 37.83 35.45 3iqf s LYS 5 CO 0.29 0.36 0.13 0.00 -0.92 0.00 0.00 175.35 175.21 3iqf s ALA 6 N -0.26 -0.20 -0.11 5.17 0.00 -0.97 0.11 121.76 125.50 3iqf s ALA 6 Ca 0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 3iqf s ALA 6 Cb -0.10 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 3iqf s ALA 6 CO 0.01 -0.31 -0.11 0.42 0.00 0.00 0.00 175.76 175.77 3iqf s ILE 7 N -2.36 3.31 -0.16 0.00 1.01 -1.06 -1.91 121.20 120.02 3iqf s ILE 7 Ca -0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 3iqf s ILE 7 Cb -0.02 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 3iqf s ILE 7 CO -0.03 0.54 -0.03 -0.36 0.00 0.00 0.00 174.94 175.06 3iqf s PHE 8 N 0.04 3.04 -0.17 3.97 0.40 0.87 -0.41 117.98 125.72 3iqf s PHE 8 Ca -0.03 -0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3iqf s PHE 8 Cb -0.14 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.40 3iqf s PHE 8 CO 0.04 -0.05 -0.08 0.42 0.70 0.00 0.00 175.22 176.25 3iqf s ILE 9 N 0.43 3.30 -0.21 0.64 1.01 0.20 -0.82 121.20 125.75 3iqf s ILE 9 Ca -0.03 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.08 3iqf s ILE 9 Cb -0.14 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 39.93 3iqf s ILE 9 CO 0.03 0.48 -0.14 -0.54 0.00 0.00 0.00 174.94 174.77 3iqf s LYS 10 N 0.77 2.47 -0.08 2.79 1.02 -0.51 -0.98 119.74 125.23 3iqf s LYS 10 Ca -0.03 -0.99 -0.01 0.00 0.02 0.00 0.00 55.97 54.96 3iqf s LYS 10 Cb -0.15 -2.62 0.03 0.00 -0.52 0.00 0.00 37.83 34.57 3iqf s LYS 10 CO 0.01 -0.39 -0.03 0.00 -0.92 0.00 0.00 175.35 174.03 3iqf n GLY 12 N 4.93 -2.19 2.78 0.00 0.00 0.02 -4.25 105.19 106.49 3iqf n GLY 12 Ca -0.11 -1.54 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.37 0.06 0.13 1.61 2.47 -1.26 -4.61 114.94 109.97 3iqf s ASN 13 Ca 0.00 0.06 0.06 0.00 0.42 0.00 0.00 52.86 53.40 3iqf s ASN 13 Cb 0.00 -0.05 -0.04 0.00 -1.45 0.00 0.00 41.25 39.71 3iqf s ASN 13 CO 0.00 -0.13 -0.15 -0.76 -3.72 0.00 0.00 177.10 172.35 3iqf s LEU 14 N 1.05 2.41 0.24 3.21 1.02 -1.26 -4.56 118.68 120.79 3iqf s LEU 14 Ca -0.09 -0.82 -0.05 0.00 0.02 0.00 0.00 54.13 53.19 3iqf s LEU 14 Cb -0.12 -0.59 0.38 0.00 0.02 0.00 0.00 46.19 45.88 3iqf s LEU 14 CO -0.03 -0.13 1.82 1.23 0.02 0.00 0.00 176.35 179.25 3iqf h GLY 15 N 3.47 1.26 1.17 -3.19 0.00 -1.94 -1.45 103.07 102.39 3iqf h GLY 15 Ca -0.40 -0.32 -0.19 0.00 0.00 0.00 0.00 47.33 46.42 3iqf h GLY 15 CO 0.51 0.15 -0.56 -0.84 0.00 0.00 0.00 176.54 175.80 3iqf h THR 16 N 0.81 1.27 -0.05 4.70 2.02 -1.96 -2.99 112.91 116.71 3iqf h THR 16 Ca 0.39 -1.75 -0.12 0.00 0.77 0.00 0.00 66.41 65.70 3iqf h THR 16 Cb 0.33 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3iqf h THR 16 CO -0.23 0.57 -0.51 0.77 0.37 0.00 0.00 175.52 176.49 3iqf h SER 17 N 0.66 0.16 -0.28 4.18 4.64 -1.87 -0.78 113.55 120.25 3iqf h SER 17 Ca 0.01 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 3iqf h SER 17 Cb 1.17 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3iqf h SER 17 CO 0.12 0.64 0.01 -0.03 -0.87 0.00 0.00 176.83 176.70 3iqf h MET 18 N 0.11 0.60 0.00 4.77 -1.53 -1.17 -3.25 114.93 114.46 3iqf h MET 18 Ca 0.00 -0.13 0.00 0.00 -3.44 0.00 0.00 59.70 56.13 3iqf h MET 18 Cb 0.94 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.91 3iqf h MET 18 CO 0.07 0.61 -1.06 -1.33 0.14 0.00 0.00 176.91 175.35 3iqf n MET 19 N -4.26 1.17 -0.22 0.39 2.81 -1.10 -4.79 117.12 111.11 3iqf n MET 19 Ca 0.02 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3iqf n MET 19 Cb 0.25 -1.33 0.12 0.00 -0.71 0.00 0.00 33.22 31.55 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 0.52 -0.32 0.03 -0.00 -1.18 -1.30 114.93 112.68 3iqf h MET 20 Ca 0.00 -0.03 -0.14 0.00 -0.00 0.00 0.00 59.70 59.53 3iqf h MET 20 Cb 0.50 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 31.98 3iqf h MET 20 CO 0.00 0.34 -0.36 0.38 -0.00 0.00 0.00 176.91 177.27 3iqf h ASP 21 N 0.53 0.77 0.74 -0.10 2.03 -1.86 -3.27 116.42 115.25 3iqf h ASP 21 Ca 0.32 -0.33 -0.09 0.00 -0.73 0.00 0.00 57.03 56.20 3iqf h ASP 21 Cb 0.35 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 3iqf h ASP 21 CO -0.27 1.05 -0.45 0.24 -1.03 0.00 0.00 179.24 178.79 3iqf h MET 22 N 0.61 0.00 0.00 4.15 2.86 -1.59 -2.20 114.93 118.76 3iqf h MET 22 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3iqf h MET 22 Cb 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3iqf h MET 22 CO 0.08 0.45 0.00 -0.07 1.06 0.00 0.00 176.91 178.43 3iqf h LEU 23 N 0.00 0.00 -0.04 1.22 3.38 -1.46 -2.68 115.31 115.73 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 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3iqf h LEU 23 CO 0.06 0.00 -0.70 0.18 0.09 0.00 0.00 178.44 178.07 3iqf n LEU 24 N -2.75 0.76 -2.89 1.67 4.77 -0.83 -4.56 117.00 113.17 3iqf n LEU 24 Ca -0.02 -0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 55.60 3iqf n LEU 24 Cb 0.09 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3iqf n LEU 24 CO 0.17 0.19 0.09 -0.67 -1.33 0.00 0.00 177.39 175.83 3iqf n ASP 25 N -1.44 -1.56 0.31 -1.43 2.03 -1.02 -4.98 116.55 108.46 3iqf n ASP 25 Ca 0.05 -3.28 0.19 0.00 0.52 0.00 0.00 54.79 52.27 3iqf n ASP 25 Cb 0.34 1.02 1.00 0.00 -0.72 0.00 0.00 41.12 42.76 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 3.51 0.00 -0.06 -0.67 9.09 -1.79 -1.09 114.58 123.57 3iqf h GLU 26 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 3iqf h GLU 26 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 3iqf h GLU 26 CO 0.32 0.02 0.00 0.54 0.05 0.00 0.00 179.01 179.94 3iqf n ARG 27 N -3.36 2.60 -2.26 1.06 1.74 -1.26 -5.00 116.66 110.18 3iqf n ARG 27 Ca -0.02 -1.51 -0.18 0.00 -0.77 0.00 0.00 57.85 55.36 3iqf n ARG 27 Cb 0.13 -1.05 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.25 -0.61 0.08 7.54 0.00 -0.42 -4.87 120.51 121.99 3iqf n ALA 28 Ca 0.02 0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.69 3iqf n ALA 28 Cb 0.26 -1.94 0.11 0.00 0.00 0.00 0.00 19.45 17.88 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 -1.80 2.50 -4.72 0.00 5.68 -1.26 -4.98 116.55 111.97 3iqf n ASP 29 Ca -0.21 -1.78 -0.42 0.00 -0.50 0.00 0.00 54.79 51.89 3iqf n ASP 29 Cb 0.65 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 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 -0.96 4.39 0.00 0.11 0.52 -1.26 -4.46 118.95 117.29 3iqf s ARG 30 Ca 0.19 1.95 0.23 0.00 -0.52 0.00 0.00 55.73 57.58 3iqf s ARG 30 Cb 0.11 -3.27 0.26 0.00 0.52 0.00 0.00 34.95 32.57 3iqf s ARG 30 CO 0.15 -0.31 1.29 0.39 0.02 0.00 0.00 175.30 176.84 3iqf n GLU 31 N 3.57 2.34 -0.16 3.54 1.02 0.11 -4.39 120.64 126.66 3iqf n GLU 31 Ca 0.09 -2.02 0.05 0.00 -0.02 0.00 0.00 57.16 55.26 3iqf n GLU 31 Cb 0.44 -1.47 0.14 0.00 -0.02 0.00 0.00 31.44 30.53 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 1.37 2.84 -4.02 1.62 3.85 -1.26 -4.78 116.55 116.18 3iqf n ASP 32 Ca 0.15 -2.05 -0.09 0.00 -0.71 0.00 0.00 54.79 52.09 3iqf n ASP 32 Cb 0.59 -0.22 -0.11 0.00 -1.35 0.00 0.00 41.12 40.04 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 -1.08 0.21 -0.07 2.12 -7.23 -1.26 -0.96 120.40 112.12 3iqf s VAL 33 Ca 0.21 -1.11 -0.03 0.00 -1.81 0.00 0.00 61.98 59.24 3iqf s VAL 33 Cb 0.11 -0.56 0.04 0.00 0.56 0.00 0.00 36.38 36.54 3iqf s VAL 33 CO 0.13 -0.58 0.16 -0.70 -0.31 0.00 0.00 175.10 173.81 3iqf s GLU 34 N -1.95 0.10 0.12 4.82 2.12 0.02 -4.90 118.70 119.03 3iqf s GLU 34 Ca -0.11 0.40 0.10 0.00 0.36 0.00 0.00 54.97 55.72 3iqf s GLU 34 Cb -0.07 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.11 3iqf s GLU 34 CO -0.02 -0.17 -0.25 -0.06 -0.54 0.00 0.00 175.26 174.22 3iqf s PHE 35 N 1.22 2.12 0.04 5.30 2.99 -1.26 -2.28 117.98 126.12 3iqf s PHE 35 Ca -0.09 -0.39 0.09 0.00 0.00 0.00 0.00 56.93 56.53 3iqf s PHE 35 Cb -0.11 -1.16 -0.03 0.00 0.00 0.00 0.00 43.02 41.72 3iqf s PHE 35 CO -0.06 0.29 -0.24 1.03 -0.00 0.00 0.00 175.22 176.24 3iqf s ARG 36 N -1.98 1.88 -0.09 0.44 1.81 -0.80 -5.00 118.95 115.21 3iqf s ARG 36 Ca 0.11 -1.07 0.01 0.00 -1.72 0.00 0.00 55.73 53.06 3iqf s ARG 36 Cb -0.10 -2.04 0.02 0.00 -0.45 0.00 0.00 34.95 32.37 3iqf s ARG 36 CO 0.05 0.52 -0.11 0.08 -0.68 0.00 0.00 175.30 175.16 3iqf s VAL 37 N -0.84 1.16 0.11 3.52 1.01 -1.26 -0.09 120.40 124.02 3iqf s VAL 37 Ca 0.13 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.71 3iqf s VAL 37 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3iqf s VAL 37 CO 0.03 0.38 -0.10 0.68 0.00 0.00 0.00 175.10 176.09 3iqf s VAL 38 N 1.15 1.00 -0.62 2.92 -7.23 0.00 -4.97 120.40 112.66 3iqf s VAL 38 Ca -0.05 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 3iqf s VAL 38 Cb -0.14 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.23 3iqf s VAL 38 CO -0.02 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.72 3iqf n GLY 39 N 0.23 -1.30 0.71 2.32 0.00 -1.26 -1.42 105.19 104.47 3iqf n GLY 39 Ca -0.14 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 44.91 3iqf n GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iqf n THR 40 N 0.14 2.24 -3.74 2.61 -2.24 -1.17 -4.96 114.28 107.18 3iqf n THR 40 Ca 0.00 -3.29 0.00 0.00 -2.27 0.00 0.00 64.05 58.49 3iqf n THR 40 Cb 0.00 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.10 0.00 0.11 3.42 2.88 -1.26 -2.84 113.62 114.83 3iqf n SER 41 Ca 0.21 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.87 3iqf n SER 41 Cb 0.72 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.64 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 0.71 -2.86 2.46 0.24 -1.26 -0.80 118.33 116.82 3iqf n VAL 42 Ca 0.00 0.03 -0.40 0.00 -2.04 0.00 0.00 64.34 61.93 3iqf n VAL 42 Cb 0.00 -0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 31.42 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 -3.20 4.60 0.00 7.34 1.02 -1.13 -3.46 119.74 124.91 3iqf s LYS 43 Ca 0.07 1.25 0.20 0.00 0.02 0.00 0.00 55.97 57.52 3iqf s LYS 43 Cb 0.11 -3.36 0.33 0.00 -0.52 0.00 0.00 37.83 34.39 3iqf s LYS 43 CO 0.47 0.29 1.12 0.00 -0.92 0.00 0.00 175.35 176.31 3iqf n MET 44 N 2.64 0.00 -1.22 1.68 0.00 -1.26 -3.76 117.12 115.20 3iqf n MET 44 Ca -0.01 -1.75 -0.31 0.00 0.00 0.00 0.00 57.70 55.63 3iqf n MET 44 Cb 0.49 0.03 0.10 0.00 0.00 0.00 0.00 33.22 33.85 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 -1.75 4.34 0.31 3.17 -4.77 -1.26 -3.79 116.67 112.93 3iqf s ASP 45 Ca 0.26 1.88 0.04 0.00 -3.30 0.00 0.00 52.55 51.43 3iqf s ASP 45 Cb 0.30 -2.53 0.66 0.00 -1.09 0.00 0.00 42.92 40.26 3iqf s ASP 45 CO -0.13 -2.14 1.84 -0.65 0.70 0.00 0.00 175.17 174.79 3iqf h PRO 46 N -1.15 0.85 -0.28 2.11 0.11 -1.86 -1.65 132.00 130.13 3iqf h PRO 46 Ca -0.44 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3iqf h PRO 46 Cb 1.24 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3iqf h PRO 46 CO 0.50 0.56 -0.02 0.93 -0.21 0.00 0.00 178.00 179.77 3iqf h GLU 47 N 0.88 0.50 -0.47 1.05 3.07 -1.96 -0.80 114.58 116.85 3iqf h GLU 47 Ca 0.49 -0.17 0.01 0.00 -0.50 0.00 0.00 59.36 59.20 3iqf h GLU 47 Cb 0.61 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.45 3iqf h GLU 47 CO -0.26 0.67 0.29 0.00 -1.40 0.00 0.00 179.01 178.32 3iqf h VAL 49 N 0.59 1.27 -0.47 0.00 2.07 -1.22 0.44 116.25 118.93 3iqf h VAL 49 Ca 0.18 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.54 3iqf h VAL 49 Cb -0.02 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3iqf h VAL 49 CO -0.07 0.41 0.30 -0.08 0.02 0.00 0.00 177.57 178.16 3iqf h GLU 50 N 0.80 0.59 -0.65 1.57 4.81 -0.99 0.85 114.58 121.57 3iqf h GLU 50 Ca 0.14 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 3iqf h GLU 50 Cb 0.60 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 3iqf h GLU 50 CO 0.04 0.39 0.38 0.00 -0.73 0.00 0.00 179.01 179.09 3iqf h ALA 51 N 1.18 0.87 0.23 2.92 0.00 -0.90 0.14 119.26 123.69 3iqf h ALA 51 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3iqf h ALA 51 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3iqf h ALA 51 CO -0.05 0.08 -0.11 0.00 0.00 0.00 0.00 179.25 179.17 3iqf h ALA 52 N 1.32 -0.31 -0.33 0.00 0.00 -0.26 -1.42 119.26 118.26 3iqf h ALA 52 Ca 0.28 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3iqf h ALA 52 Cb 0.12 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3iqf h ALA 52 CO -0.15 -0.66 -0.07 0.28 0.00 0.00 0.00 179.25 178.64 3iqf h VAL 53 N -0.33 1.22 -0.61 0.00 2.07 -0.48 -1.83 116.25 116.30 3iqf h VAL 53 Ca -0.03 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 3iqf h VAL 53 Cb 0.25 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3iqf h VAL 53 CO 0.05 0.32 0.21 -0.33 0.02 0.00 0.00 177.57 177.84 3iqf h GLU 54 N 0.51 0.93 -0.44 1.57 5.08 -0.60 0.63 114.58 122.27 3iqf h GLU 54 Ca 0.10 -0.19 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3iqf h GLU 54 Cb 0.44 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 3iqf h GLU 54 CO 0.02 0.82 0.01 0.52 -1.00 0.00 0.00 179.01 179.38 3iqf h MET 55 N 0.86 0.12 -0.35 2.33 2.86 -0.90 0.44 114.93 120.28 3iqf h MET 55 Ca 0.20 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3iqf h MET 55 Cb 0.26 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3iqf h MET 55 CO -0.01 0.08 0.15 0.00 1.06 0.00 0.00 176.91 178.19 3iqf h ALA 56 N 1.38 0.46 -0.31 6.32 0.00 -0.68 -1.45 119.26 124.97 3iqf h ALA 56 Ca 0.22 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3iqf h ALA 56 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3iqf h ALA 56 CO -0.35 0.04 -0.30 -0.07 0.00 0.00 0.00 179.25 178.57 3iqf h LEU 57 N 0.43 0.67 -0.11 0.00 3.38 -0.70 0.10 115.31 119.08 3iqf h LEU 57 Ca 0.12 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3iqf h LEU 57 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3iqf h LEU 57 CO -0.01 0.94 0.07 0.44 0.09 0.00 0.00 178.44 179.96 3iqf h ASP 58 N 0.56 0.13 -0.72 -0.43 5.19 -0.73 -2.34 116.42 118.07 3iqf h ASP 58 Ca 0.07 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3iqf h ASP 58 Cb 0.80 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.24 3iqf h ASP 58 CO 0.07 0.12 0.37 0.40 -3.12 0.00 0.00 179.24 177.07 3iqf h ILE 59 N 0.13 1.23 -0.27 0.35 2.04 -1.06 -3.06 117.51 116.87 3iqf h ILE 59 Ca 0.04 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.28 3iqf h ILE 59 Cb 0.01 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3iqf h ILE 59 CO -0.01 0.27 0.18 0.00 0.00 0.00 0.00 178.15 178.59 3iqf h ALA 60 N 1.36 1.82 -0.72 1.87 0.00 -0.28 0.21 119.26 123.52 3iqf h ALA 60 Ca 0.26 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3iqf h ALA 60 Cb 0.09 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3iqf h ALA 60 CO -0.04 0.16 0.39 0.93 0.00 0.00 0.00 179.25 180.69 3iqf h GLU 61 N 0.35 0.66 0.07 0.00 5.08 -1.35 0.35 114.58 119.75 3iqf h GLU 61 Ca 0.10 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 58.09 3iqf h GLU 61 Cb -0.02 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3iqf h GLU 61 CO -0.02 0.44 -1.88 -0.25 -1.00 0.00 0.00 179.01 176.30 3iqf n ASP 62 N -4.80 1.59 0.09 1.42 8.00 -0.96 -4.44 116.55 117.44 3iqf n ASP 62 Ca 0.11 0.30 -0.08 0.00 0.71 0.00 0.00 54.79 55.82 3iqf n ASP 62 Cb 0.23 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 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 0.04 0.20 -5.90 1.24 3.57 -0.43 -3.48 116.94 112.17 3iqf h PHE 63 Ca -0.37 -0.12 -0.35 0.00 3.53 0.00 0.00 57.97 60.67 3iqf h PHE 63 Cb 2.03 -0.02 0.13 0.00 2.79 0.00 0.00 35.95 40.88 3iqf h PHE 63 CO 0.04 0.98 -0.87 0.39 -2.23 0.00 0.00 178.31 176.62 3iqf n GLU 64 N -3.57 -1.62 -1.96 1.11 1.02 0.12 -4.95 120.64 110.80 3iqf n GLU 64 Ca -0.03 0.66 -0.34 0.00 -0.02 0.00 0.00 57.16 57.43 3iqf n GLU 64 Cb 0.85 -4.81 0.03 0.00 -0.02 0.00 0.00 31.44 27.49 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 -5.23 2.99 0.16 3.49 0.04 -1.26 -4.84 135.00 130.35 3iqf s PRO 65 Ca 0.44 1.57 0.06 0.00 0.04 0.00 0.00 61.00 63.12 3iqf s PRO 65 Cb -0.12 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3iqf s PRO 65 CO 0.81 -1.14 1.37 -0.44 0.04 0.00 0.00 177.00 177.64 3iqf h ASP 66 N 0.58 0.07 -5.08 6.66 5.19 0.44 -3.48 116.42 120.81 3iqf h ASP 66 Ca -0.49 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 3iqf h ASP 66 Cb 1.26 -0.02 -0.08 0.00 0.18 0.00 0.00 39.33 40.67 3iqf h ASP 66 CO 0.55 0.94 0.09 0.72 -3.12 0.00 0.00 179.24 178.41 3iqf s PHE 67 N -3.01 -0.09 -0.03 4.55 -0.12 -1.18 -4.32 117.98 113.77 3iqf s PHE 67 Ca -0.01 -0.28 0.03 0.00 -0.05 0.00 0.00 56.93 56.62 3iqf s PHE 67 Cb 0.10 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.97 3iqf s PHE 67 CO 0.81 -1.04 -0.12 0.42 -0.05 0.00 0.00 175.22 175.25 3iqf s ILE 68 N -3.90 1.01 -0.13 -4.49 1.01 -0.14 -2.58 121.20 111.98 3iqf s ILE 68 Ca 0.11 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.29 3iqf s ILE 68 Cb -0.03 -0.88 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 3iqf s ILE 68 CO 0.02 0.30 -0.18 -0.69 0.00 0.00 0.00 174.94 174.39 3iqf s VAL 69 N 0.10 2.52 -0.19 2.92 1.01 0.45 -1.36 120.40 125.85 3iqf s VAL 69 Ca -0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 3iqf s VAL 69 Cb -0.09 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3iqf s VAL 69 CO 0.01 0.54 -0.02 -0.47 0.00 0.00 0.00 175.10 175.15 3iqf s TYR 70 N 0.52 3.00 -0.02 5.22 6.14 -0.34 0.61 117.35 132.49 3iqf s TYR 70 Ca -0.12 -0.53 0.03 0.00 0.64 0.00 0.00 57.07 57.10 3iqf s TYR 70 Cb -0.16 -2.05 -0.00 0.00 0.42 0.00 0.00 41.96 40.17 3iqf s TYR 70 CO 0.04 -0.25 -0.10 0.20 0.64 0.00 0.00 175.55 176.08 3iqf s GLY 71 N 0.92 0.53 0.00 8.97 0.00 -0.15 0.16 107.32 117.75 3iqf s GLY 71 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.32 3iqf s GLY 71 CO 0.01 -0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.48 3iqf n GLY 72 N 3.04 -0.66 3.74 0.20 0.00 -0.89 -2.60 105.19 108.02 3iqf n GLY 72 Ca -0.16 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 2.85 -0.35 1.61 0.02 -1.26 -4.26 135.00 131.60 3iqf s PRO 73 Ca 0.00 2.12 -0.27 0.00 0.02 0.00 0.00 61.00 62.88 3iqf s PRO 73 Cb 0.00 -2.04 0.04 0.00 0.02 0.00 0.00 34.50 32.52 3iqf s PRO 73 CO 0.00 -1.39 0.50 -1.71 -0.33 0.00 0.00 177.00 174.07 3iqf n ASN 74 N -1.49 -6.19 0.12 2.53 2.85 -1.26 -4.84 115.26 106.99 3iqf n ASN 74 Ca 0.13 0.13 0.19 0.00 -0.11 0.00 0.00 54.58 54.92 3iqf n ASN 74 Cb 0.47 -2.35 0.69 0.00 1.24 0.00 0.00 39.78 39.82 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 2.42 0.00 0.00 1.20 0.11 -1.86 -1.19 132.00 132.68 3iqf h PRO 75 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3iqf h PRO 75 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3iqf h PRO 75 CO 0.17 0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 177.72 3iqf n ALA 76 N -2.18 2.67 -1.56 -0.75 0.00 -1.26 -3.42 120.51 114.01 3iqf n ALA 76 Ca 0.07 -0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 3iqf n ALA 76 Cb 0.70 -1.34 0.11 0.00 0.00 0.00 0.00 19.45 18.92 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 -3.07 2.07 0.17 0.00 0.00 -0.45 -4.75 121.76 115.73 3iqf s ALA 77 Ca 0.10 -0.35 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 3iqf s ALA 77 Cb 0.15 -3.07 0.09 0.00 0.00 0.00 0.00 23.12 20.29 3iqf s ALA 77 CO 0.63 -1.95 1.81 -1.35 0.00 0.00 0.00 175.76 174.90 3iqf h PRO 78 N -1.25 0.59 0.90 0.00 0.11 -1.90 0.01 132.00 130.46 3iqf h PRO 78 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3iqf h PRO 78 Cb 1.30 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3iqf h PRO 78 CO 0.61 0.39 -0.43 0.78 -0.21 0.00 0.00 178.00 179.13 3iqf h GLY 79 N 0.60 -1.27 0.90 -0.55 0.00 -1.84 -2.31 103.07 98.60 3iqf h GLY 79 Ca 0.20 0.47 0.12 0.00 0.00 0.00 0.00 47.33 48.12 3iqf h GLY 79 CO -0.09 -0.46 0.45 -2.55 0.00 0.00 0.00 176.54 173.89 3iqf h PRO 80 N -1.29 0.42 -0.37 4.80 0.11 -1.75 -0.53 132.00 133.38 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 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3iqf h PRO 80 CO 0.20 0.28 0.02 0.77 -0.21 0.00 0.00 178.00 179.06 3iqf h SER 81 N 0.43 0.54 -0.48 -2.05 0.02 -0.86 -1.16 113.55 110.00 3iqf h SER 81 Ca 0.32 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 61.04 3iqf h SER 81 Cb 0.65 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3iqf h SER 81 CO -0.10 0.60 -0.19 0.50 -1.14 0.00 0.00 176.83 176.51 3iqf h LYS 82 N 0.55 0.98 -0.57 3.45 1.63 -0.54 -1.93 116.57 120.15 3iqf h LYS 82 Ca 0.12 -0.41 -0.02 0.00 -0.85 0.00 0.00 60.65 59.49 3iqf h LYS 82 Cb 0.33 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 3iqf h LYS 82 CO 0.01 1.08 0.26 0.00 -3.45 0.00 0.00 179.45 177.35 3iqf h ALA 83 N 0.87 0.74 -0.51 5.00 0.00 -0.85 -1.35 119.26 123.16 3iqf h ALA 83 Ca 0.11 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3iqf h ALA 83 Cb 0.76 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3iqf h ALA 83 CO 0.06 0.31 0.27 0.00 0.00 0.00 0.00 179.25 179.90 3iqf h ARG 84 N 0.78 0.52 -0.10 0.00 3.08 -1.13 0.15 114.38 117.68 3iqf h ARG 84 Ca 0.19 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3iqf h ARG 84 Cb 0.14 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3iqf h ARG 84 CO -0.02 0.35 0.06 1.49 -1.07 0.00 0.00 179.97 180.77 3iqf h GLU 85 N 0.54 0.14 -0.51 0.04 4.81 -1.13 0.12 114.58 118.58 3iqf h GLU 85 Ca 0.22 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3iqf h GLU 85 Cb 0.09 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3iqf h GLU 85 CO -0.13 0.15 0.25 0.52 -0.73 0.00 0.00 179.01 179.07 3iqf h MET 86 N 0.08 0.74 -0.14 1.92 2.86 -1.04 -1.93 114.93 117.42 3iqf h MET 86 Ca 0.04 -0.11 -0.22 0.00 -2.06 0.00 0.00 59.70 57.35 3iqf h MET 86 Cb 0.05 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.59 3iqf h MET 86 CO -0.01 0.61 -0.78 -0.07 1.06 0.00 0.00 176.91 177.72 3iqf h LEU 87 N 0.68 0.90 -0.81 1.22 3.38 -0.63 -2.15 115.31 117.91 3iqf h LEU 87 Ca 0.18 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3iqf h LEU 87 Cb 0.11 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3iqf h LEU 87 CO -0.02 1.39 0.52 0.00 0.09 0.00 0.00 178.44 180.41 3iqf h ALA 88 N 0.60 1.02 0.00 1.53 0.00 -0.77 -2.38 119.26 119.26 3iqf h ALA 88 Ca -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3iqf h ALA 88 Cb 1.41 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3iqf h ALA 88 CO 0.16 0.45 -0.25 -0.44 0.00 0.00 0.00 179.25 179.17 3iqf h ASP 89 N 1.09 0.00 -4.07 0.00 3.32 -1.29 -3.46 116.42 112.01 3iqf h ASP 89 Ca 0.29 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.88 3iqf h ASP 89 Cb -0.10 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.59 3iqf h ASP 89 CO -0.06 0.25 0.25 -0.94 -1.72 0.00 0.00 179.24 177.02 3iqf s SER 90 N -6.50 3.18 0.09 6.45 1.04 -0.81 -4.95 113.70 112.20 3iqf s SER 90 Ca -0.02 1.12 0.24 0.00 0.48 0.00 0.00 55.95 57.77 3iqf s SER 90 Cb 0.13 -1.76 0.96 0.00 0.10 0.00 0.00 66.02 65.45 3iqf s SER 90 CO 0.65 -2.77 1.76 -1.84 0.98 0.00 0.00 173.24 172.02 3iqf n GLU 91 N -3.93 0.09 -3.47 4.02 0.28 -1.26 -4.86 120.64 111.51 3iqf n GLU 91 Ca 0.06 0.17 -0.37 0.00 -0.16 0.00 0.00 57.16 56.86 3iqf n GLU 91 Cb 0.58 -1.63 -0.06 0.00 1.43 0.00 0.00 31.44 31.76 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 -3.07 3.55 0.35 -1.84 2.02 -1.26 -5.04 117.35 112.05 3iqf s TYR 92 Ca 0.10 0.78 -0.27 0.00 -0.37 0.00 0.00 57.07 57.31 3iqf s TYR 92 Cb 0.14 -2.38 -0.12 0.00 -0.40 0.00 0.00 41.96 39.20 3iqf s TYR 92 CO 0.47 0.33 1.19 -2.30 -1.57 0.00 0.00 175.55 173.67 3iqf n PRO 93 N 3.13 1.83 -3.97 -1.71 -0.02 -1.26 -4.83 135.00 128.18 3iqf n PRO 93 Ca -0.11 0.65 -0.11 0.00 -2.02 0.00 0.00 63.50 61.91 3iqf n PRO 93 Cb 0.52 -2.20 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.13 0.15 -0.05 3.55 0.00 -1.26 -0.97 121.76 122.06 3iqf s ALA 94 Ca 0.58 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.20 3iqf s ALA 94 Cb -0.58 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3iqf s ALA 94 CO 0.60 -0.07 -0.21 0.08 0.00 0.00 0.00 175.76 176.16 3iqf s VAL 95 N -0.87 1.72 -0.27 0.00 1.01 -0.47 -1.26 120.40 120.26 3iqf s VAL 95 Ca -0.09 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 3iqf s VAL 95 Cb -0.06 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3iqf s VAL 95 CO -0.00 0.49 0.11 -0.63 0.00 0.00 0.00 175.10 175.06 3iqf s ILE 96 N -0.08 4.53 -0.22 2.22 -1.09 0.12 -1.19 121.20 125.49 3iqf s ILE 96 Ca -0.03 -0.19 -0.14 0.00 -2.23 0.00 0.00 60.65 58.06 3iqf s ILE 96 Cb -0.12 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 3iqf s ILE 96 CO 0.03 0.25 0.31 -0.63 -1.23 0.00 0.00 174.94 173.66 3iqf s ILE 97 N 1.63 5.26 0.00 2.92 -1.09 0.12 -1.15 121.20 128.90 3iqf s ILE 97 Ca 0.06 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 3iqf s ILE 97 Cb -0.16 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 3iqf s ILE 97 CO 0.05 0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 3iqf n GLY 98 N 4.14 4.01 0.91 6.18 0.00 -0.44 -2.09 105.19 117.90 3iqf n GLY 98 Ca -0.11 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 1.76 -0.26 1.61 3.85 -1.26 -1.02 116.55 121.23 3iqf n ASP 99 Ca 0.00 -1.57 0.02 0.00 -0.71 0.00 0.00 54.79 52.53 3iqf n ASP 99 Cb 0.00 0.17 0.15 0.00 -1.35 0.00 0.00 41.12 40.09 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 1.12 1.06 -0.23 2.12 0.00 -1.79 -0.62 119.26 120.91 3iqf h ALA 100 Ca -0.10 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 3iqf h ALA 100 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3iqf h ALA 100 CO 0.16 -0.02 0.32 -1.35 0.00 0.00 0.00 179.25 178.36 3iqf h PRO 101 N 0.65 0.00 -0.04 0.00 0.11 -1.96 -0.32 132.00 130.44 3iqf h PRO 101 Ca 0.37 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.49 3iqf h PRO 101 Cb 0.40 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3iqf h PRO 101 CO -0.27 0.00 0.09 0.78 -0.21 0.00 0.00 178.00 178.38 3iqf h GLY 102 N 0.00 0.00 1.66 -0.55 0.00 -1.46 -2.80 103.07 99.92 3iqf h GLY 102 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.49 3iqf h GLY 102 CO -0.00 0.00 0.12 1.41 0.00 0.00 0.00 176.54 178.07 3iqf h LEU 103 N 0.00 0.00 -2.11 3.11 3.38 -1.20 -1.09 115.31 117.40 3iqf h LEU 103 Ca 0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3iqf h LEU 103 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3iqf h LEU 103 CO -0.00 0.00 0.23 0.11 0.09 0.00 0.00 178.44 178.87 3iqf h LYS 104 N 0.00 0.00 -0.00 1.13 1.57 -1.71 -2.92 116.57 114.64 3iqf h LYS 104 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3iqf h LYS 104 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3iqf h LYS 104 CO -0.00 0.00 -0.19 1.33 -0.57 0.00 0.00 179.45 180.02 3iqf n VAL 105 N -4.10 2.02 0.08 0.50 0.24 -0.42 -4.77 118.33 111.87 3iqf n VAL 105 Ca 0.03 -2.65 -0.13 0.00 -2.04 0.00 0.00 64.34 59.55 3iqf n VAL 105 Cb 0.37 -0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 32.43 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 0.40 -0.13 -0.66 7.34 3.64 -1.36 0.74 116.57 126.54 3iqf h LYS 106 Ca 0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3iqf h LYS 106 Cb 1.00 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3iqf h LYS 106 CO 0.00 -0.00 0.10 -0.44 -2.27 0.00 0.00 179.45 176.84 3iqf h ASP 107 N -0.22 1.04 -0.33 4.20 3.32 -1.86 -1.74 116.42 120.83 3iqf h ASP 107 Ca -0.01 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.81 3iqf h ASP 107 Cb 0.18 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3iqf h ASP 107 CO 0.02 1.04 0.16 -0.08 -1.72 0.00 0.00 179.24 178.66 3iqf h GLU 108 N 1.02 0.33 -0.82 3.56 4.81 -1.85 -0.88 114.58 120.74 3iqf h GLU 108 Ca 0.20 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3iqf h GLU 108 Cb 0.44 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 3iqf h GLU 108 CO 0.01 0.22 0.53 0.52 -0.73 0.00 0.00 179.01 179.56 3iqf h MET 109 N 0.34 1.00 -0.75 1.92 2.86 -0.55 0.12 114.93 119.87 3iqf h MET 109 Ca 0.14 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3iqf h MET 109 Cb 0.06 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 3iqf h MET 109 CO -0.10 0.66 0.24 0.93 1.06 0.00 0.00 176.91 179.71 3iqf h GLU 110 N 1.03 1.17 -0.37 1.72 5.08 -0.90 -1.76 114.58 120.55 3iqf h GLU 110 Ca 0.33 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3iqf h GLU 110 Cb -0.00 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3iqf h GLU 110 CO -0.11 0.98 0.01 0.93 -1.00 0.00 0.00 179.01 179.83 3iqf h GLU 111 N 1.12 0.58 0.00 2.33 5.08 -0.63 -1.83 114.58 121.23 3iqf h GLU 111 Ca 0.24 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3iqf h GLU 111 Cb 0.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3iqf h GLU 111 CO -0.01 0.60 0.00 1.04 -1.00 0.00 0.00 179.01 179.64 3iqf n GLN 112 N -4.27 0.13 -1.40 2.33 6.02 0.36 -4.90 117.38 115.66 3iqf n GLN 112 Ca 0.02 0.37 -0.01 0.00 -0.01 0.00 0.00 57.00 57.37 3iqf n GLN 112 Cb 0.25 -1.75 -0.00 0.00 1.02 0.00 0.00 30.24 29.76 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 -0.01 0.41 3.79 1.08 0.00 -0.69 -4.78 105.19 105.00 3iqf n GLY 113 Ca 0.03 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.27 3.92 0.71 0.99 1.43 -0.72 -4.76 118.68 119.99 3iqf s LEU 114 Ca 0.00 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 3iqf s LEU 114 Cb 0.00 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.86 3iqf s LEU 114 CO 0.00 0.24 1.09 -0.83 0.23 0.00 0.00 176.35 177.08 3iqf s GLY 115 N -1.95 1.62 -0.01 -3.19 0.00 -0.39 -4.34 107.32 99.06 3iqf s GLY 115 Ca 0.25 -0.43 -0.23 0.00 0.00 0.00 0.00 44.72 44.31 3iqf s GLY 115 CO 0.17 -0.05 0.51 -2.52 0.00 0.00 0.00 173.10 171.21 3iqf s TYR 116 N -3.35 -0.43 -0.22 1.90 1.13 0.21 -0.70 117.35 115.88 3iqf s TYR 116 Ca 0.58 0.66 -0.01 0.00 -1.41 0.00 0.00 57.07 56.89 3iqf s TYR 116 Cb -0.11 0.29 0.06 0.00 -1.10 0.00 0.00 41.96 41.10 3iqf s TYR 116 CO 0.51 -0.55 -0.00 0.42 -2.51 0.00 0.00 175.55 173.42 3iqf s ILE 117 N -1.60 1.04 -0.26 -3.49 1.01 -0.30 -0.88 121.20 116.72 3iqf s ILE 117 Ca -0.10 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.54 3iqf s ILE 117 Cb -0.02 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3iqf s ILE 117 CO 0.05 -0.20 0.05 -0.76 0.00 0.00 0.00 174.94 174.08 3iqf s LEU 118 N 1.61 3.50 -0.42 2.97 1.43 0.26 -1.32 118.68 126.70 3iqf s LEU 118 Ca -0.02 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.52 3iqf s LEU 118 Cb -0.18 -1.86 0.09 0.00 0.03 0.00 0.00 46.19 44.27 3iqf s LEU 118 CO -0.08 -0.10 0.25 -0.69 0.23 0.00 0.00 176.35 175.96 3iqf s VAL 119 N 1.53 4.01 0.18 -1.59 1.01 -0.19 -0.26 120.40 125.10 3iqf s VAL 119 Ca 0.04 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.35 3iqf s VAL 119 Cb -0.16 -3.53 0.08 0.00 0.00 0.00 0.00 36.38 32.77 3iqf s VAL 119 CO 0.01 -0.57 1.67 0.11 0.00 0.00 0.00 175.10 176.33 3iqf h LYS 120 N 8.34 1.04 0.00 2.72 1.57 -1.39 -2.32 116.57 126.53 3iqf h LYS 120 Ca -0.21 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3iqf h LYS 120 Cb 1.07 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3iqf h LYS 120 CO 0.76 0.97 0.00 -2.30 -0.57 0.00 0.00 179.45 178.31 3iqf n PRO 121 N -4.27 0.03 -1.85 3.15 -0.02 -1.26 -4.31 135.00 126.48 3iqf n PRO 121 Ca 0.03 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 3iqf n PRO 121 Cb 0.29 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.45 3.82 -4.78 2.55 -0.08 -0.87 -4.37 116.55 111.37 3iqf n ASP 122 Ca 0.03 -2.82 -0.37 0.00 -1.51 0.00 0.00 54.79 50.12 3iqf n ASP 122 Cb 0.11 -1.59 -0.06 0.00 2.34 0.00 0.00 41.12 41.92 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 4.34 3.24 0.37 -1.67 0.00 -1.26 -4.76 121.76 122.02 3iqf s ALA 123 Ca 0.52 0.51 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 3iqf s ALA 123 Cb 0.11 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.96 3iqf s ALA 123 CO 0.00 0.19 1.42 1.41 0.00 0.00 0.00 175.76 178.79 3iqf s MET 124 N -1.95 4.12 0.87 0.00 1.75 -1.26 -4.92 119.30 117.91 3iqf s MET 124 Ca 0.49 2.44 -0.09 0.00 -1.25 0.00 0.00 55.69 57.28 3iqf s MET 124 Cb -0.19 -2.95 0.19 0.00 2.84 0.00 0.00 34.83 34.71 3iqf s MET 124 CO 0.24 -0.47 1.19 1.47 -0.65 0.00 0.00 175.02 176.80 3iqf n LEU 125 N 0.46 0.00 -4.03 4.11 -0.00 -1.26 -4.47 117.00 111.81 3iqf n LEU 125 Ca 0.01 -1.81 -0.43 0.00 -0.00 0.00 0.00 56.01 53.79 3iqf n LEU 125 Cb 0.40 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 3iqf n LEU 125 CO 0.62 -1.24 1.73 0.61 -0.00 0.00 0.00 177.39 179.11 3iqf n GLY 126 N -3.33 4.44 2.76 1.47 0.00 -1.26 -4.84 105.19 104.43 3iqf n GLY 126 Ca 0.17 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 4.09 5.57 -2.84 4.61 0.00 -1.26 -4.23 120.51 126.45 3iqf n ALA 127 Ca 0.38 -4.02 -0.31 0.00 0.00 0.00 0.00 53.44 49.48 3iqf n ALA 127 Cb 0.38 -3.33 -0.17 0.00 0.00 0.00 0.00 19.45 16.33 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 2.12 2.61 0.45 0.00 1.81 -1.26 -4.96 118.95 119.73 3iqf s ARG 128 Ca 0.45 -0.89 0.18 0.00 -1.72 0.00 0.00 55.73 53.76 3iqf s ARG 128 Cb 0.13 -2.16 1.14 0.00 -0.45 0.00 0.00 34.95 33.60 3iqf s ARG 128 CO -0.06 0.34 1.93 -0.09 -0.68 0.00 0.00 175.30 176.74 3iqf h ARG 129 N 6.20 0.31 0.00 3.54 2.43 -1.89 0.15 114.38 125.11 3iqf h ARG 129 Ca -0.29 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3iqf h ARG 129 Cb 1.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3iqf h ARG 129 CO 0.47 0.20 0.00 0.93 -1.51 0.00 0.00 179.97 180.06 3iqf h GLU 130 N 0.32 0.00 0.00 0.20 3.07 -1.96 -3.35 114.58 112.85 3iqf h GLU 130 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3iqf h GLU 130 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 3iqf h GLU 130 CO -0.09 0.00 -0.99 0.34 -1.40 0.00 0.00 179.01 176.86 3iqf n PHE 131 N -2.81 0.00 -2.86 4.33 7.35 -0.54 -4.98 117.46 117.95 3iqf n PHE 131 Ca 0.01 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.27 3iqf n PHE 131 Cb 0.26 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.06 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 -5.75 4.43 0.53 -2.13 2.96 0.41 -4.87 118.68 114.27 3iqf s LEU 132 Ca 0.00 -1.06 0.09 0.00 -0.22 0.00 0.00 54.13 52.94 3iqf s LEU 132 Cb 0.00 -2.42 0.06 0.00 0.50 0.00 0.00 46.19 44.33 3iqf s LEU 132 CO 0.00 -1.42 0.69 1.51 -1.32 0.00 0.00 176.35 175.81 3iqf s ASP 133 N 3.69 5.16 0.24 3.68 -4.77 -1.26 -4.68 116.67 118.74 3iqf s ASP 133 Ca 0.23 -0.80 -0.05 0.00 -3.30 0.00 0.00 52.55 48.63 3iqf s ASP 133 Cb -0.16 0.08 0.42 0.00 -1.09 0.00 0.00 42.92 42.17 3iqf s ASP 133 CO 0.09 -1.16 1.76 -0.65 0.70 0.00 0.00 175.17 175.90 3iqf h PRO 134 N 0.38 0.55 -0.19 2.11 0.11 -1.99 -0.69 132.00 132.28 3iqf h PRO 134 Ca -0.33 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.76 3iqf h PRO 134 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3iqf h PRO 134 CO 0.44 0.36 0.10 0.28 -0.21 0.00 0.00 178.00 178.97 3iqf h VAL 135 N 0.57 1.00 -0.71 3.15 2.07 -1.98 -0.92 116.25 119.43 3iqf h VAL 135 Ca 0.40 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.79 3iqf h VAL 135 Cb 0.51 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3iqf h VAL 135 CO -0.33 0.04 0.23 -0.08 0.02 0.00 0.00 177.57 177.44 3iqf h GLU 136 N 0.20 1.09 -0.67 1.57 4.57 -1.79 0.19 114.58 119.74 3iqf h GLU 136 Ca 0.07 -0.23 0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3iqf h GLU 136 Cb 0.01 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.37 3iqf h GLU 136 CO -0.05 0.94 0.33 1.98 -1.18 0.00 0.00 179.01 181.03 3iqf h MET 137 N 1.04 0.57 -0.34 1.92 4.05 -0.85 -0.86 114.93 120.45 3iqf h MET 137 Ca 0.23 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.47 3iqf h MET 137 Cb 0.29 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 3iqf h MET 137 CO -0.01 0.37 -0.33 0.00 0.23 0.00 0.00 176.91 177.17 3iqf h ALA 138 N 1.40 0.50 -0.22 0.39 0.00 -0.32 -1.80 119.26 119.22 3iqf h ALA 138 Ca 0.32 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3iqf h ALA 138 Cb 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3iqf h ALA 138 CO -0.25 0.57 0.06 0.82 0.00 0.00 0.00 179.25 180.44 3iqf h ILE 139 N 0.62 0.92 -0.44 0.00 2.04 -0.49 0.95 117.51 121.11 3iqf h ILE 139 Ca 0.06 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.89 3iqf h ILE 139 Cb 0.92 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3iqf h ILE 139 CO 0.08 0.03 0.25 0.22 0.00 0.00 0.00 178.15 178.73 3iqf h TYR 140 N 0.15 0.47 -0.37 1.37 3.20 -1.11 -1.63 116.97 119.06 3iqf h TYR 140 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3iqf h TYR 140 Cb 0.08 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3iqf h TYR 140 CO -0.14 0.27 0.22 -0.91 -1.64 0.00 0.00 178.16 175.96 3iqf h ASN 141 N 0.51 0.44 -0.23 -2.11 2.35 -0.94 0.23 115.58 115.83 3iqf h ASN 141 Ca 0.18 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3iqf h ASN 141 Cb 0.03 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3iqf h ASN 141 CO -0.09 0.34 0.03 0.00 -1.65 0.00 0.00 177.43 176.06 3iqf h ALA 142 N 1.73 0.31 -0.31 -0.83 0.00 0.03 -1.02 119.26 119.17 3iqf h ALA 142 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3iqf h ALA 142 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3iqf h ALA 142 CO -0.03 -0.01 0.16 -0.44 0.00 0.00 0.00 179.25 178.94 3iqf h ASP 143 N 0.18 0.39 -0.67 0.00 3.32 -0.95 -1.99 116.42 116.70 3iqf h ASP 143 Ca 0.07 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3iqf h ASP 143 Cb 0.34 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3iqf h ASP 143 CO 0.01 0.39 0.36 0.25 -1.72 0.00 0.00 179.24 178.52 3iqf h LEU 144 N 0.37 0.84 -0.86 1.55 5.85 -0.94 -1.29 115.31 120.83 3iqf h LEU 144 Ca 0.11 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3iqf h LEU 144 Cb 0.09 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3iqf h LEU 144 CO -0.02 0.70 0.55 -0.03 -0.34 0.00 0.00 178.44 179.31 3iqf h MET 145 N 0.92 1.15 -0.53 1.25 4.05 -1.07 0.11 114.93 120.81 3iqf h MET 145 Ca 0.24 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 3iqf h MET 145 Cb 0.05 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 30.57 3iqf h MET 145 CO -0.04 0.78 0.32 -0.22 0.23 0.00 0.00 176.91 177.99 3iqf h LYS 146 N 1.18 0.72 0.01 0.39 1.63 -0.99 0.31 116.57 119.81 3iqf h LYS 146 Ca 0.31 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3iqf h LYS 146 Cb -0.10 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.38 3iqf h LYS 146 CO -0.06 0.52 -0.01 0.28 -3.45 0.00 0.00 179.45 176.73 3iqf h VAL 147 N 0.71 1.05 -0.00 2.00 2.07 -0.74 0.13 116.25 121.47 3iqf h VAL 147 Ca 0.19 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 3iqf h VAL 147 Cb -0.02 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3iqf h VAL 147 CO -0.04 0.04 -0.45 -0.07 0.02 0.00 0.00 177.57 177.08 3iqf h LEU 148 N -0.09 0.01 0.03 2.57 3.38 -0.59 -1.98 115.31 118.64 3iqf h LEU 148 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iqf h LEU 148 Cb 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3iqf h LEU 148 CO 0.00 0.46 -0.01 0.00 0.09 0.00 0.00 178.44 178.98 3iqf h ALA 149 N 1.54 -0.04 0.00 1.53 0.00 -0.82 -0.49 119.26 120.99 3iqf h ALA 149 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iqf h ALA 149 Cb 0.80 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3iqf h ALA 149 CO 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 179.25 179.26 3iqf h ALA 150 N -0.67 1.00 0.00 0.00 0.00 -0.76 -2.27 119.26 116.57 3iqf h ALA 150 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iqf h ALA 150 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3iqf h ALA 150 CO 0.01 0.01 -0.12 0.25 0.00 0.00 0.00 179.25 179.39 3iqf n THR 151 N -3.10 0.50 -0.08 0.00 -2.24 -0.75 -4.74 114.28 103.87 3iqf n THR 151 Ca 0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3iqf n THR 151 Cb 0.34 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 1.33 0.52 0.24 3.38 0.00 -0.85 -4.97 105.19 104.84 3iqf n GLY 152 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 1.14 -0.17 1.61 2.07 -1.61 -1.64 116.25 117.65 3iqf h VAL 153 Ca 0.00 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3iqf h VAL 153 Cb 0.00 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3iqf h VAL 153 CO 0.00 0.15 0.10 -0.26 0.02 0.00 0.00 177.57 177.57 3iqf h PHE 154 N 0.80 0.22 -0.20 1.57 0.05 -1.37 -1.72 116.94 116.30 3iqf h PHE 154 Ca 0.22 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.92 3iqf h PHE 154 Cb -0.08 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 37.78 3iqf h PHE 154 CO -0.04 0.15 -0.29 -0.09 -0.18 0.00 0.00 178.31 177.86 3iqf h ARG 155 N 0.23 0.39 -0.45 1.51 2.43 -1.59 0.17 114.38 117.07 3iqf h ARG 155 Ca 0.06 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3iqf h ARG 155 Cb -0.00 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3iqf h ARG 155 CO -0.01 0.65 0.15 0.28 -1.51 0.00 0.00 179.97 179.52 3iqf h VAL 156 N 0.34 1.22 -0.40 0.20 2.07 -1.01 -0.82 116.25 117.84 3iqf h VAL 156 Ca 0.05 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 3iqf h VAL 156 Cb 0.69 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3iqf h VAL 156 CO 0.05 0.26 0.03 0.58 0.02 0.00 0.00 177.57 178.51 3iqf h VAL 157 N 0.58 1.25 -0.20 2.57 2.07 -1.08 -2.25 116.25 119.20 3iqf h VAL 157 Ca 0.15 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.76 3iqf h VAL 157 Cb 0.26 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3iqf h VAL 157 CO -0.01 0.32 -0.09 -0.61 0.02 0.00 0.00 177.57 177.21 3iqf h GLN 158 N 0.53 -0.06 -0.77 1.57 4.15 -0.55 -2.48 115.11 117.50 3iqf h GLN 158 Ca 0.12 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 3iqf h GLN 158 Cb 0.43 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 3iqf h GLN 158 CO 0.01 -0.04 0.37 0.93 -1.93 0.00 0.00 178.83 178.18 3iqf h GLU 159 N -0.06 1.11 -0.56 1.69 5.08 -1.05 -0.29 114.58 120.50 3iqf h GLU 159 Ca 0.11 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3iqf h GLU 159 Cb 0.22 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3iqf h GLU 159 CO -0.24 0.85 0.28 0.00 -1.00 0.00 0.00 179.01 178.90 3iqf h ALA 160 N 1.30 0.72 -0.09 3.43 0.00 -1.15 -0.96 119.26 122.52 3iqf h ALA 160 Ca 0.27 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 3iqf h ALA 160 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3iqf h ALA 160 CO -0.03 0.27 -0.74 0.74 0.00 0.00 0.00 179.25 179.48 3iqf h PHE 161 N 0.75 0.62 -0.55 0.00 0.05 -1.17 -2.39 116.94 114.25 3iqf h PHE 161 Ca 0.19 -0.28 -0.06 0.00 3.82 0.00 0.00 57.97 61.65 3iqf h PHE 161 Cb 0.10 -0.09 -0.02 0.00 2.00 0.00 0.00 35.95 37.93 3iqf h PHE 161 CO -0.01 1.04 0.10 -0.44 -0.18 0.00 0.00 178.31 178.82 3iqf h ASP 162 N 0.31 0.81 -0.33 2.17 3.45 -0.88 0.20 116.42 122.15 3iqf h ASP 162 Ca -0.03 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.24 3iqf h ASP 162 Cb 1.33 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 3iqf h ASP 162 CO 0.13 0.82 0.14 -0.33 -1.57 0.00 0.00 179.24 178.43 3iqf h GLU 163 N 0.82 0.48 -0.74 3.56 5.08 -1.10 -1.73 114.58 120.96 3iqf h GLU 163 Ca 0.17 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3iqf h GLU 163 Cb 0.36 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3iqf h GLU 163 CO 0.01 0.47 0.23 1.25 -1.00 0.00 0.00 179.01 179.96 3iqf h LEU 164 N 0.38 1.07 -0.37 1.33 5.85 -1.06 -2.11 115.31 120.41 3iqf h LEU 164 Ca 0.11 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3iqf h LEU 164 Cb 0.16 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3iqf h LEU 164 CO -0.01 0.99 0.19 0.40 -0.34 0.00 0.00 178.44 179.67 3iqf h ILE 165 N 1.10 1.16 -0.84 4.05 2.04 -0.51 0.24 117.51 124.74 3iqf h ILE 165 Ca 0.24 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3iqf h ILE 165 Cb 0.31 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 3iqf h ILE 165 CO -0.01 0.16 0.51 -0.33 0.00 0.00 0.00 178.15 178.48 3iqf h GLU 166 N 0.47 1.14 -0.54 2.37 4.39 -1.01 -1.43 114.58 119.97 3iqf h GLU 166 Ca 0.13 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 3iqf h GLU 166 Cb 0.09 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3iqf h GLU 166 CO -0.02 0.80 0.00 0.87 -1.16 0.00 0.00 179.01 179.50 3iqf h LYS 167 N 1.16 0.91 -0.62 2.33 1.79 -1.05 -2.17 116.57 118.91 3iqf h LYS 167 Ca 0.30 -0.26 0.08 0.00 -2.18 0.00 0.00 60.65 58.59 3iqf h LYS 167 Cb -0.05 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.47 3iqf h LYS 167 CO -0.06 0.90 0.41 0.00 -1.08 0.00 0.00 179.45 179.63 3iqf h ALA 168 N 1.15 1.91 0.00 3.86 0.00 -0.16 -2.02 119.26 124.00 3iqf h ALA 168 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iqf h ALA 168 Cb 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3iqf h ALA 168 CO 0.02 -0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.88 3iqf n LYS 169 N -4.48 0.18 -2.06 0.00 5.02 -0.61 -2.93 118.16 113.28 3iqf n LYS 169 Ca 0.10 0.28 -0.33 0.00 -2.02 0.00 0.00 58.31 56.35 3iqf n LYS 169 Cb 0.31 -1.77 0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3iqf n LYS 169 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3iqf n GLU 170 N -2.11 3.10 0.00 1.97 -0.58 -0.76 -4.89 120.64 117.38 3iqf n GLU 170 Ca 0.04 -3.94 0.00 0.00 -0.42 0.00 0.00 57.16 52.84 3iqf n GLU 170 Cb 0.31 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 28.92 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 -0.59 0.00 -4.30 1.62 4.64 -1.15 -4.73 116.55 112.04 3iqf n ASP 171 Ca 0.48 0.00 -0.36 0.00 -1.38 0.00 0.00 54.79 53.54 3iqf n ASP 171 Cb 0.54 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.57 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 1.97 -2.58 -0.67 4.71 -1.25 -4.79 120.64 118.03 3iqf n GLU 172 Ca 0.00 -2.49 -0.42 0.00 -0.01 0.00 0.00 57.16 54.24 3iqf n GLU 172 Cb 0.00 -3.47 -0.02 0.00 -1.01 0.00 0.00 31.44 26.94 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 7.80 4.01 0.39 -3.67 1.01 -1.26 -4.82 121.20 124.66 3iqf s ILE 173 Ca 0.62 0.90 0.08 0.00 0.00 0.00 0.00 60.65 62.24 3iqf s ILE 173 Cb 0.05 -4.73 -0.01 0.00 0.01 0.00 0.00 42.46 37.78 3iqf s ILE 173 CO 0.11 -1.35 0.46 -0.94 0.00 0.00 0.00 174.94 173.22 3iqf s SER 174 N 2.99 5.51 0.41 3.58 1.04 -1.26 -4.94 113.70 121.02 3iqf s SER 174 Ca 0.43 -0.47 0.14 0.00 0.48 0.00 0.00 55.95 56.53 3iqf s SER 174 Cb -0.07 -0.78 1.00 0.00 0.10 0.00 0.00 66.02 66.26 3iqf s SER 174 CO 0.25 -0.62 1.89 -0.33 0.98 0.00 0.00 173.24 175.42 3iqf h GLU 175 N 0.87 0.47 0.00 4.02 5.08 -1.96 -1.26 114.58 121.81 3iqf h GLU 175 Ca -0.42 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3iqf h GLU 175 Cb 1.27 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3iqf h GLU 175 CO 0.51 0.31 -0.10 -0.91 -1.00 0.00 0.00 179.01 177.82 3iqf h ASN 176 N 0.48 0.00 1.65 1.42 2.35 -1.97 -2.74 115.58 116.77 3iqf h ASN 176 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3iqf h ASN 176 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3iqf h ASN 176 CO -0.15 0.10 -0.12 0.44 -1.65 0.00 0.00 177.43 176.05 3iqf h ASP 177 N 0.00 0.00 -3.65 5.81 3.45 -1.60 -3.47 116.42 116.96 3iqf h ASP 177 Ca -0.00 -0.02 -0.52 0.00 0.43 0.00 0.00 57.03 56.93 3iqf h ASP 177 Cb 0.26 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.06 3iqf h ASP 177 CO 0.01 0.01 0.57 -0.76 -1.57 0.00 0.00 179.24 177.51 3iqf s LEU 178 N -5.38 4.47 0.53 1.55 1.43 -1.04 -4.84 118.68 115.40 3iqf s LEU 178 Ca 0.08 2.39 -0.22 0.00 -1.03 0.00 0.00 54.13 55.35 3iqf s LEU 178 Cb 0.09 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 3iqf s LEU 178 CO 0.65 -0.38 1.30 -2.84 0.23 0.00 0.00 176.35 175.31 3iqf s PRO 179 N -0.95 3.29 -0.43 1.29 0.02 -1.26 -4.87 135.00 132.09 3iqf s PRO 179 Ca 0.50 2.08 0.04 0.00 0.02 0.00 0.00 61.00 63.65 3iqf s PRO 179 Cb -0.35 -2.27 0.18 0.00 0.02 0.00 0.00 34.50 32.08 3iqf s PRO 179 CO 0.42 -1.03 0.37 1.63 -0.33 0.00 0.00 177.00 178.06 3iqf n LYS 180 N -0.93 0.34 -5.12 5.54 5.02 -1.21 -0.62 118.16 121.17 3iqf n LYS 180 Ca 0.10 -3.27 -0.32 0.00 -2.02 0.00 0.00 58.31 52.80 3iqf n LYS 180 Cb 0.46 -1.68 -0.15 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.15 2.34 -0.20 -0.35 1.43 -0.06 -4.98 118.68 116.71 3iqf s LEU 181 Ca 0.33 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3iqf s LEU 181 Cb 0.05 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.87 3iqf s LEU 181 CO -0.19 0.31 -0.15 -0.69 0.23 0.00 0.00 176.35 175.87 3iqf s VAL 182 N -0.56 1.96 -0.15 -1.59 1.01 -1.26 -0.58 120.40 119.23 3iqf s VAL 182 Ca 0.08 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 3iqf s VAL 182 Cb -0.11 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3iqf s VAL 182 CO 0.00 0.28 0.03 -0.63 0.00 0.00 0.00 175.10 174.79 3iqf s ILE 183 N 1.28 4.56 0.19 2.22 1.01 0.64 -4.93 121.20 126.16 3iqf s ILE 183 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 3iqf s ILE 183 Cb -0.16 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.32 3iqf s ILE 183 CO -0.09 0.51 0.33 -0.90 0.00 0.00 0.00 174.94 174.79 3iqf n ASP 184 N 3.12 -0.95 -0.33 3.58 5.75 -1.26 -1.05 116.55 125.40 3iqf n ASP 184 Ca -0.17 -1.84 0.08 0.00 -0.01 0.00 0.00 54.79 52.85 3iqf n ASP 184 Cb 0.53 1.64 0.17 0.00 -1.03 0.00 0.00 41.12 42.43 3iqf n ASP 184 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3iqf n ARG 185 N -0.27 -0.08 0.09 0.11 0.63 -1.26 -1.02 116.66 114.86 3iqf n ARG 185 Ca -0.03 1.45 0.11 0.00 -0.92 0.00 0.00 57.85 58.47 3iqf n ARG 185 Cb 0.29 -2.21 0.45 0.00 0.45 0.00 0.00 32.46 31.44 3iqf n ARG 185 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3iqf n ASN 186 N -5.49 0.53 -0.09 6.15 3.02 -1.26 -2.91 115.26 115.21 3iqf n ASN 186 Ca 0.17 0.61 0.10 0.00 -0.03 0.00 0.00 54.58 55.43 3iqf n ASN 186 Cb 0.54 -0.73 0.46 0.00 -0.61 0.00 0.00 39.78 39.45 3iqf n ASN 186 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3iqf h THR 187 N 0.00 0.95 0.00 3.41 2.02 -1.43 -2.15 112.91 115.71 3iqf h THR 187 Ca 0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3iqf h THR 187 Cb 0.41 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3iqf h THR 187 CO 0.00 0.09 -0.10 -0.07 0.37 0.00 0.00 175.52 175.81 3iqf h LEU 188 N 0.50 0.00 -1.65 2.58 3.38 -1.70 -2.47 115.31 115.94 3iqf h LEU 188 Ca 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3iqf h LEU 188 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3iqf h LEU 188 CO -0.08 0.10 -0.12 -0.07 0.09 0.00 0.00 178.44 178.36 3iqf h LEU 189 N 0.00 0.00 -2.38 1.67 3.38 -1.60 -2.66 115.31 113.71 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3iqf h LEU 189 CO 0.01 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 178.05 3iqf n GLU 190 N -3.41 2.53 -4.30 1.13 1.02 -0.93 -4.96 120.64 111.72 3iqf n GLU 190 Ca -0.01 -2.34 -0.27 0.00 -0.02 0.00 0.00 57.16 54.52 3iqf n GLU 190 Cb 0.30 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.34 2.16 -0.27 3.49 0.52 -1.00 -5.04 118.95 117.46 3iqf s ARG 191 Ca 0.42 -1.99 0.09 0.00 -0.52 0.00 0.00 55.73 53.73 3iqf s ARG 191 Cb 0.23 -1.86 0.46 0.00 0.52 0.00 0.00 34.95 34.30 3iqf s ARG 191 CO 0.32 -0.17 1.19 0.39 0.02 0.00 0.00 175.30 177.05 3iqf n GLU 192 N -1.22 3.13 0.03 3.54 -0.58 -1.26 -4.86 120.64 119.42 3iqf n GLU 192 Ca -0.04 -3.96 -0.11 0.00 -0.42 0.00 0.00 57.16 52.63 3iqf n GLU 192 Cb 0.65 -2.10 -0.05 0.00 -0.57 0.00 0.00 31.44 29.37 3iqf n GLU 192 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3iqf h GLU 193 N 1.99 -0.08 -5.19 3.49 4.57 -1.96 -3.43 114.58 113.98 3iqf h GLU 193 Ca 0.27 0.01 -0.63 0.00 -1.18 0.00 0.00 59.36 57.82 3iqf h GLU 193 Cb 1.44 0.02 -0.21 0.00 -0.16 0.00 0.00 28.75 29.84 3iqf h GLU 193 CO 0.59 -0.05 -0.63 -0.06 -1.18 0.00 0.00 179.01 177.68 3iqf s PHE 194 N -6.18 3.10 0.21 0.92 0.08 -1.26 -4.58 117.98 110.27 3iqf s PHE 194 Ca -0.14 -0.26 -0.05 0.00 0.12 0.00 0.00 56.93 56.60 3iqf s PHE 194 Cb 0.08 -2.07 0.16 0.00 -0.57 0.00 0.00 43.02 40.62 3iqf s PHE 194 CO 0.67 -0.09 1.61 1.49 -0.10 0.00 0.00 175.22 178.80 3iqf h GLU 195 N 7.15 0.79 -5.57 0.44 4.22 -1.83 -3.44 114.58 116.34 3iqf h GLU 195 Ca -0.35 -0.33 -0.59 0.00 0.08 0.00 0.00 59.36 58.17 3iqf h GLU 195 Cb 1.18 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 3iqf h GLU 195 CO 0.63 0.95 -0.15 1.21 -2.18 0.00 0.00 179.01 179.47 3iqf s ASN 196 N -6.76 6.55 0.44 1.04 2.47 -1.26 -4.97 114.94 112.45 3iqf s ASN 196 Ca -0.09 0.66 0.19 0.00 0.42 0.00 0.00 52.86 54.03 3iqf s ASN 196 Cb 0.13 -2.26 1.02 0.00 -1.45 0.00 0.00 41.25 38.69 3iqf s ASN 196 CO 0.84 -0.06 1.93 1.55 -3.72 0.00 0.00 177.10 177.64 3iqf h PRO 197 N 7.09 0.00 -0.02 0.43 0.13 -2.00 -2.27 132.00 135.36 3iqf h PRO 197 Ca -0.38 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.59 3iqf h PRO 197 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3iqf h PRO 197 CO 0.74 0.25 -0.73 1.88 -0.23 0.00 0.00 178.00 179.91 3iqf h TYR 198 N 0.00 0.16 -0.50 1.56 0.05 -1.98 -1.74 116.97 114.52 3iqf h TYR 198 Ca -0.00 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 3iqf h TYR 198 Cb 0.52 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 3iqf h TYR 198 CO 0.00 0.80 0.31 0.00 -1.05 0.00 0.00 178.16 178.22 3iqf h ALA 199 N 1.18 0.64 -0.31 3.88 0.00 -1.75 0.11 119.26 123.00 3iqf h ALA 199 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iqf h ALA 199 Cb 1.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3iqf h ALA 199 CO 0.10 0.12 0.20 1.98 0.00 0.00 0.00 179.25 181.66 3iqf h MET 200 N 0.67 0.41 -0.04 0.00 1.85 -1.16 0.53 114.93 117.20 3iqf h MET 200 Ca 0.18 -0.03 -0.14 0.00 -0.61 0.00 0.00 59.70 59.10 3iqf h MET 200 Cb -0.02 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 31.91 3iqf h MET 200 CO -0.03 0.29 -0.62 -0.39 -0.40 0.00 0.00 176.91 175.75 3iqf h VAL 201 N 0.42 1.41 -0.55 -5.77 -1.51 -1.14 0.67 116.25 109.79 3iqf h VAL 201 Ca 0.11 -2.07 -0.07 0.00 -1.23 0.00 0.00 66.70 63.45 3iqf h VAL 201 Cb -0.03 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 31.18 3iqf h VAL 201 CO -0.02 0.60 0.08 0.11 -1.23 0.00 0.00 177.57 177.11 3iqf h LYS 202 N 0.11 0.91 -0.73 5.19 1.57 -0.60 -0.73 116.57 122.29 3iqf h LYS 202 Ca -0.01 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3iqf h LYS 202 Cb 1.13 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 3iqf h LYS 202 CO 0.09 0.89 0.34 0.00 -0.57 0.00 0.00 179.45 180.20 3iqf h ALA 203 N 0.99 0.95 -0.60 3.86 0.00 -0.57 -1.58 119.26 122.30 3iqf h ALA 203 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iqf h ALA 203 Cb 0.42 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3iqf h ALA 203 CO 0.01 0.52 0.39 0.52 0.00 0.00 0.00 179.25 180.69 3iqf h MET 204 N 1.03 0.76 -0.64 0.00 2.86 -0.71 -1.73 114.93 116.50 3iqf h MET 204 Ca 0.25 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 3iqf h MET 204 Cb 0.14 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 3iqf h MET 204 CO -0.03 0.50 0.41 0.00 1.06 0.00 0.00 176.91 178.86 3iqf h ALA 205 N 1.24 0.82 -0.47 6.32 0.00 -0.90 -0.35 119.26 125.93 3iqf h ALA 205 Ca 0.23 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3iqf h ALA 205 Cb -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3iqf h ALA 205 CO -0.07 0.20 0.22 0.00 0.00 0.00 0.00 179.25 179.61 3iqf h ALA 206 N 1.25 0.59 -0.36 0.00 0.00 -1.01 -1.11 119.26 118.62 3iqf h ALA 206 Ca 0.25 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 206 Cb -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3iqf h ALA 206 CO -0.07 -0.13 -0.21 -0.07 0.00 0.00 0.00 179.25 178.76 3iqf h LEU 207 N 0.45 0.69 -0.26 0.00 3.38 -0.97 -0.47 115.31 118.12 3iqf h LEU 207 Ca 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3iqf h LEU 207 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3iqf h LEU 207 CO -0.15 0.89 0.10 -0.08 0.09 0.00 0.00 178.44 179.29 3iqf h GLU 208 N 0.61 0.39 -0.11 1.13 4.57 -0.79 -0.60 114.58 119.78 3iqf h GLU 208 Ca 0.09 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3iqf h GLU 208 Cb 0.69 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 3iqf h GLU 208 CO 0.05 0.43 0.06 0.82 -1.18 0.00 0.00 179.01 179.19 3iqf h ILE 209 N 0.27 1.10 -0.62 2.32 2.04 -1.02 -0.57 117.51 121.04 3iqf h ILE 209 Ca 0.09 -0.30 0.10 0.00 1.00 0.00 0.00 64.86 65.75 3iqf h ILE 209 Cb 0.18 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 3iqf h ILE 209 CO -0.01 0.09 0.22 0.00 0.00 0.00 0.00 178.15 178.46 3iqf h ALA 210 N 0.94 0.80 -0.59 1.87 0.00 -1.00 -0.02 119.26 121.26 3iqf h ALA 210 Ca 0.04 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 210 Cb 0.10 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3iqf h ALA 210 CO -0.01 -0.20 0.16 1.49 0.00 0.00 0.00 179.25 180.69 3iqf h GLU 211 N 0.40 0.90 0.00 0.00 4.81 -0.76 -2.34 114.58 117.59 3iqf h GLU 211 Ca 0.31 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3iqf h GLU 211 Cb 0.40 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3iqf h GLU 211 CO -0.32 0.79 -0.23 -0.91 -0.73 0.00 0.00 179.01 177.61 3iqf h ASN 212 N 0.87 0.00 -1.00 1.04 2.35 0.23 -2.88 115.58 116.20 3iqf h ASN 212 Ca 0.19 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.09 3iqf h ASN 212 Cb 0.28 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.56 3iqf h ASN 212 CO -0.00 0.23 0.62 0.58 -1.65 0.00 0.00 177.43 177.21 3iqf h VAL 213 N 0.00 0.85 -0.83 2.81 2.07 -0.47 -2.72 116.25 117.96 3iqf h VAL 213 Ca -0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3iqf h VAL 213 Cb 0.50 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 3iqf h VAL 213 CO 0.03 0.17 0.53 0.00 0.02 0.00 0.00 177.57 178.32 3iqf h ALA 214 N 1.57 1.05 -0.20 1.67 0.00 -1.60 -0.81 119.26 120.95 3iqf h ALA 214 Ca 0.52 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 3iqf h ALA 214 Cb 0.62 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3iqf h ALA 214 CO -0.31 0.47 -0.20 -0.44 0.00 0.00 0.00 179.25 178.78 3iqf h ASP 215 N 1.12 0.33 -0.08 0.00 5.19 -1.64 0.14 116.42 121.48 3iqf h ASP 215 Ca 0.30 -0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.55 3iqf h ASP 215 Cb -0.11 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.32 3iqf h ASP 215 CO -0.06 0.55 -0.23 0.58 -3.12 0.00 0.00 179.24 176.96 3iqf h VAL 216 N 0.31 1.41 -0.43 -1.35 2.07 -1.22 -0.98 116.25 116.06 3iqf h VAL 216 Ca 0.05 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 66.05 3iqf h VAL 216 Cb 0.53 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 3iqf h VAL 216 CO 0.04 0.45 0.16 0.28 0.02 0.00 0.00 177.57 178.51 3iqf h SER 217 N -0.18 0.17 -0.40 0.57 0.02 -1.04 0.40 113.55 113.08 3iqf h SER 217 Ca -0.01 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3iqf h SER 217 Cb 0.84 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3iqf h SER 217 CO 0.05 0.13 0.24 0.58 -1.14 0.00 0.00 176.83 176.69 3iqf h VAL 218 N 0.33 1.06 -0.19 2.27 2.07 -0.97 0.30 116.25 121.13 3iqf h VAL 218 Ca 0.20 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3iqf h VAL 218 Cb 0.19 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3iqf h VAL 218 CO -0.20 0.09 0.01 -0.08 0.02 0.00 0.00 177.57 177.41 3iqf h GLU 219 N 0.50 0.07 -0.09 1.57 4.81 -0.86 -0.03 114.58 120.54 3iqf h GLU 219 Ca 0.15 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3iqf h GLU 219 Cb -0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3iqf h GLU 219 CO -0.06 0.05 -0.36 0.78 -0.73 0.00 0.00 179.01 178.69 3iqf h GLY 220 N 0.07 0.19 0.67 1.92 0.00 -0.47 -0.03 103.07 105.42 3iqf h GLY 220 Ca 0.09 -0.17 -0.32 0.00 0.00 0.00 0.00 47.33 46.92 3iqf h GLY 220 CO -0.14 0.15 -1.93 0.00 0.00 0.00 0.00 176.54 174.62 3iqf n PHE 222 N -3.04 0.00 -0.03 0.00 3.72 -0.04 -4.90 117.46 113.18 3iqf n PHE 222 Ca -0.24 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.10 3iqf n PHE 222 Cb 1.07 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 39.58 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 -1.39 1.10 -2.15 -4.37 0.31 -0.85 -4.98 118.33 106.00 3iqf n VAL 223 Ca -0.00 0.14 -0.42 0.00 -0.01 0.00 0.00 64.34 64.05 3iqf n VAL 223 Cb 0.02 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 31.11 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 -2.32 4.33 -0.00 5.55 2.56 -0.08 -4.92 118.70 123.82 3iqf s GLU 224 Ca -0.13 2.12 0.08 0.00 0.00 0.00 0.00 54.97 57.03 3iqf s GLU 224 Cb 0.03 -3.20 -0.10 0.00 2.00 0.00 0.00 34.13 32.86 3iqf s GLU 224 CO 0.19 -0.37 0.31 1.04 -0.56 0.00 0.00 175.26 175.86 3iqf n GLN 225 N 3.20 3.29 -3.29 4.30 1.13 -1.26 -4.75 117.38 120.00 3iqf n GLN 225 Ca 0.09 -0.02 -0.41 0.00 -1.94 0.00 0.00 57.00 54.72 3iqf n GLN 225 Cb 0.42 -0.96 -0.08 0.00 0.11 0.00 0.00 30.24 29.72 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 -2.07 6.30 0.55 1.08 3.68 -1.26 -4.97 116.67 119.98 3iqf s ASP 226 Ca 0.02 0.08 0.22 0.00 2.13 0.00 0.00 52.55 55.00 3iqf s ASP 226 Cb 0.06 -2.25 1.49 0.00 -1.45 0.00 0.00 42.92 40.78 3iqf s ASP 226 CO 0.34 -0.37 2.18 0.07 0.13 0.00 0.00 175.17 177.52 3iqf h LYS 227 N 8.34 0.00 0.00 4.34 2.10 -1.97 0.25 116.57 129.63 3iqf h LYS 227 Ca -0.29 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3iqf h LYS 227 Cb 1.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3iqf h LYS 227 CO 0.73 0.00 -0.02 0.93 -2.00 0.00 0.00 179.45 179.09 3iqf h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -1.94 114.58 115.78 3iqf h GLU 228 Ca 0.01 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.99 3iqf h GLU 228 Cb 0.07 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 3iqf h GLU 228 CO -0.00 0.02 -2.36 0.54 -1.00 0.00 0.00 179.01 176.21 3iqf n ARG 229 N -3.28 0.55 0.16 2.33 1.74 0.64 -4.57 116.66 114.24 3iqf n ARG 229 Ca -0.02 0.18 0.02 0.00 -0.77 0.00 0.00 57.85 57.26 3iqf n ARG 229 Cb 0.14 -1.42 0.23 0.00 -1.02 0.00 0.00 32.46 30.38 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 -0.46 0.00 0.17 -1.55 -0.00 -0.76 -2.22 116.97 112.14 3iqf h TYR 230 Ca -0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.14 3iqf h TYR 230 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.41 3iqf h TYR 230 CO -0.03 0.52 -0.08 0.28 -0.00 0.00 0.00 178.16 178.85 3iqf h VAL 231 N 0.00 0.96 -0.84 -0.90 2.07 -1.60 -0.63 116.25 115.30 3iqf h VAL 231 Ca -0.01 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 66.95 3iqf h VAL 231 Cb 1.04 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 3iqf h VAL 231 CO 0.07 0.15 0.49 -0.65 0.02 0.00 0.00 177.57 177.65 3iqf h PRO 232 N -0.54 0.82 0.05 1.57 0.11 -1.78 -1.68 132.00 130.55 3iqf h PRO 232 Ca -0.02 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.05 3iqf h PRO 232 Cb 0.41 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3iqf h PRO 232 CO 0.04 0.54 -0.09 0.82 -0.21 0.00 0.00 178.00 179.10 3iqf h ILE 233 N 0.84 0.79 -0.58 4.15 2.04 -1.15 -0.51 117.51 123.10 3iqf h ILE 233 Ca 0.40 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.19 3iqf h ILE 233 Cb 0.33 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3iqf h ILE 233 CO -0.23 0.00 0.11 -0.37 0.00 0.00 0.00 178.15 177.66 3iqf h VAL 234 N -0.18 1.24 -0.46 1.67 -1.51 -0.94 -2.44 116.25 113.64 3iqf h VAL 234 Ca 0.02 -0.91 -0.03 0.00 -1.23 0.00 0.00 66.70 64.54 3iqf h VAL 234 Cb 0.19 0.68 -0.02 0.00 -2.13 0.00 0.00 31.29 30.01 3iqf h VAL 234 CO -0.05 0.34 0.15 0.00 -1.23 0.00 0.00 177.57 176.77 3iqf h ALA 235 N 1.24 1.40 -0.12 5.19 0.00 -1.13 -2.47 119.26 123.37 3iqf h ALA 235 Ca 0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3iqf h ALA 235 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3iqf h ALA 235 CO 0.00 0.44 -0.32 0.66 0.00 0.00 0.00 179.25 180.04 3iqf h SER 236 N 0.66 0.24 -0.89 0.00 4.64 -0.61 -1.77 113.55 115.82 3iqf h SER 236 Ca 0.16 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3iqf h SER 236 Cb 0.19 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 3iqf h SER 236 CO -0.01 0.55 0.48 0.00 -0.87 0.00 0.00 176.83 176.98 3iqf h ALA 237 N 1.47 1.16 -0.51 5.18 0.00 -1.16 -1.61 119.26 123.80 3iqf h ALA 237 Ca 0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3iqf h ALA 237 Cb 0.67 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3iqf h ALA 237 CO 0.05 0.67 -0.18 0.45 0.00 0.00 0.00 179.25 180.23 3iqf h HIS 238 N 1.25 1.16 -0.91 0.00 3.86 -1.29 -1.57 115.15 117.65 3iqf h HIS 238 Ca 0.31 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3iqf h HIS 238 Cb 0.04 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.19 3iqf h HIS 238 CO 0.01 1.10 0.59 0.93 0.86 0.00 0.00 177.93 181.42 3iqf h GLU 239 N 0.88 1.21 -0.32 2.45 4.39 -0.90 -1.65 114.58 120.64 3iqf h GLU 239 Ca 0.12 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3iqf h GLU 239 Cb 0.76 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3iqf h GLU 239 CO 0.06 0.82 0.17 0.52 -1.16 0.00 0.00 179.01 179.42 3iqf h MET 240 N 1.24 0.46 -0.46 2.33 2.86 -1.12 -2.58 114.93 117.66 3iqf h MET 240 Ca 0.33 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3iqf h MET 240 Cb -0.11 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3iqf h MET 240 CO -0.07 0.41 0.13 1.98 1.06 0.00 0.00 176.91 180.41 3iqf h MET 241 N 0.39 0.69 -0.93 1.72 1.85 -0.96 -0.40 114.93 117.29 3iqf h MET 241 Ca 0.11 -0.12 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 3iqf h MET 241 Cb 0.09 -0.11 -0.05 0.00 0.43 0.00 0.00 31.60 31.96 3iqf h MET 241 CO -0.02 0.62 0.58 -0.09 -0.40 0.00 0.00 176.91 177.60 3iqf h ARG 242 N 0.67 1.25 -0.10 0.39 2.43 -1.16 -1.48 114.38 116.39 3iqf h ARG 242 Ca 0.15 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 3iqf h ARG 242 Cb 0.23 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3iqf h ARG 242 CO -0.01 0.86 -0.68 0.87 -1.51 0.00 0.00 179.97 179.51 3iqf h LYS 243 N 1.27 0.41 -0.78 0.20 1.79 -0.97 -2.64 116.57 115.86 3iqf h LYS 243 Ca 0.34 -0.31 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 3iqf h LYS 243 Cb -0.08 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.56 3iqf h LYS 243 CO -0.07 0.94 0.45 0.00 -1.08 0.00 0.00 179.45 179.70 3iqf h ALA 244 N 0.98 1.07 -0.70 3.86 0.00 -0.79 -1.44 119.26 122.24 3iqf h ALA 244 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3iqf h ALA 244 Cb 1.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3iqf h ALA 244 CO 0.12 0.13 0.25 0.00 0.00 0.00 0.00 179.25 179.75 3iqf h ALA 245 N 1.40 1.13 -0.53 0.00 0.00 -1.14 -1.26 119.26 118.86 3iqf h ALA 245 Ca 0.36 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3iqf h ALA 245 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3iqf h ALA 245 CO -0.20 0.61 -0.02 0.93 0.00 0.00 0.00 179.25 180.57 3iqf h GLU 246 N 1.02 0.93 -0.65 0.00 5.08 -1.04 0.39 114.58 120.30 3iqf h GLU 246 Ca 0.23 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3iqf h GLU 246 Cb 0.23 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3iqf h GLU 246 CO -0.02 0.93 0.34 -0.07 -1.00 0.00 0.00 179.01 179.20 3iqf h LEU 247 N 0.85 0.83 -0.81 1.33 3.38 -1.01 -0.44 115.31 119.44 3iqf h LEU 247 Ca 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3iqf h LEU 247 Cb 0.54 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3iqf h LEU 247 CO 0.03 0.70 0.48 0.00 0.09 0.00 0.00 178.44 179.74 3iqf h ALA 248 N 1.16 1.03 -0.33 1.53 0.00 -0.92 -1.44 119.26 120.29 3iqf h ALA 248 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 248 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3iqf h ALA 248 CO -0.03 0.50 0.16 0.22 0.00 0.00 0.00 179.25 180.10 3iqf h ASP 249 N 1.11 0.43 -0.98 0.00 3.58 -0.62 -2.14 116.42 117.80 3iqf h ASP 249 Ca 0.29 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3iqf h ASP 249 Cb -0.03 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 3iqf h ASP 249 CO -0.05 0.44 0.63 -0.33 -2.88 0.00 0.00 179.24 177.04 3iqf h GLU 250 N 0.40 1.30 -0.24 0.28 5.08 -0.84 -0.90 114.58 119.66 3iqf h GLU 250 Ca 0.11 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3iqf h GLU 250 Cb 0.12 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3iqf h GLU 250 CO -0.01 0.88 0.15 0.00 -1.00 0.00 0.00 179.01 179.02 3iqf h ALA 251 N 1.35 0.31 -0.80 3.43 0.00 -1.06 -1.95 119.26 120.53 3iqf h ALA 251 Ca 0.36 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3iqf h ALA 251 Cb -0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3iqf h ALA 251 CO -0.07 -0.20 0.34 -0.09 0.00 0.00 0.00 179.25 179.23 3iqf h ARG 252 N 0.31 1.18 -0.26 0.00 2.43 -0.81 -2.33 114.38 114.91 3iqf h ARG 252 Ca 0.09 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 3iqf h ARG 252 Cb -0.01 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3iqf h ARG 252 CO -0.02 0.94 -0.07 0.93 -1.51 0.00 0.00 179.97 180.24 3iqf h GLU 253 N 1.16 0.42 -0.56 0.20 4.39 -1.03 -1.33 114.58 117.81 3iqf h GLU 253 Ca 0.27 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 3iqf h GLU 253 Cb 0.18 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3iqf h GLU 253 CO -0.03 0.51 0.16 -0.07 -1.16 0.00 0.00 179.01 178.42 3iqf h LEU 254 N 0.40 0.83 -0.83 1.33 3.38 -0.84 -0.91 115.31 118.68 3iqf h LEU 254 Ca 0.08 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3iqf h LEU 254 Cb 0.38 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3iqf h LEU 254 CO 0.02 0.83 0.52 -0.33 0.09 0.00 0.00 178.44 179.57 3iqf h GLU 255 N 0.79 0.98 -0.94 1.13 4.39 -0.91 -2.11 114.58 117.90 3iqf h GLU 255 Ca 0.18 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.84 3iqf h GLU 255 Cb 0.30 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 3iqf h GLU 255 CO -0.00 0.65 0.62 0.87 -1.16 0.00 0.00 179.01 179.98 3iqf h LYS 256 N 1.01 1.20 0.00 2.33 1.57 -1.02 -0.94 116.57 120.72 3iqf h LYS 256 Ca 0.34 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3iqf h LYS 256 Cb 0.04 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 3iqf h LYS 256 CO -0.13 0.79 -0.05 0.66 -0.57 0.00 0.00 179.45 180.16 3iqf h SER 257 N 1.24 0.00 -0.43 0.86 4.64 -0.47 -0.91 113.55 118.48 3iqf h SER 257 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3iqf h SER 257 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3iqf h SER 257 CO -0.10 0.05 0.00 0.59 -0.87 0.00 0.00 176.83 176.50 3iqf n ASN 258 N -3.43 3.29 -3.77 4.97 3.02 -0.96 -4.98 115.26 113.41 3iqf n ASN 258 Ca -0.02 -1.94 -0.26 0.00 -0.03 0.00 0.00 54.58 52.33 3iqf n ASN 258 Cb 0.18 -0.28 0.02 0.00 -0.61 0.00 0.00 39.78 39.08 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 1.18 -2.62 -1.13 6.41 2.03 -0.35 -4.92 116.55 117.15 3iqf n ASP 259 Ca 0.17 -0.96 0.04 0.00 0.52 0.00 0.00 54.79 54.56 3iqf n ASP 259 Cb 0.53 -3.49 0.04 0.00 -0.72 0.00 0.00 41.12 37.48 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 -4.25 2.42 -2.19 -1.67 0.00 -0.40 -4.02 120.51 110.40 3iqf n ALA 260 Ca -0.22 -2.18 -0.43 0.00 0.00 0.00 0.00 53.44 50.62 3iqf n ALA 260 Cb 0.65 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.47 3.78 0.14 0.00 1.01 -1.18 -4.60 120.40 119.09 3iqf s VAL 261 Ca 0.27 0.87 -0.31 0.00 0.00 0.00 0.00 61.98 62.81 3iqf s VAL 261 Cb 0.30 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 3iqf s VAL 261 CO -0.11 -0.38 1.67 -0.22 0.00 0.00 0.00 175.10 176.05 3iqf s LEU 262 N 5.20 4.37 -0.04 3.92 2.96 -1.26 -4.28 118.68 129.55 3iqf s LEU 262 Ca 0.68 2.66 0.03 0.00 -0.22 0.00 0.00 54.13 57.28 3iqf s LEU 262 Cb -0.22 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.89 3iqf s LEU 262 CO 0.29 -0.90 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.17 3iqf s ARG 263 N 1.78 1.39 -0.51 1.98 0.52 -0.51 -5.02 118.95 118.58 3iqf s ARG 263 Ca 0.74 -0.40 0.06 0.00 -0.52 0.00 0.00 55.73 55.61 3iqf s ARG 263 Cb -0.44 -1.22 0.22 0.00 0.52 0.00 0.00 34.95 34.03 3iqf s ARG 263 CO 0.32 0.11 0.55 0.25 0.02 0.00 0.00 175.30 176.55 3iqf n THR 264 N 3.47 0.44 -1.88 0.02 -2.24 -1.26 -1.20 114.28 111.62 3iqf n THR 264 Ca -0.20 -4.38 -0.32 0.00 -2.27 0.00 0.00 64.05 56.88 3iqf n THR 264 Cb 0.53 -1.98 0.02 0.00 -2.10 0.00 0.00 70.33 66.80 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 -1.38 3.34 0.20 -0.78 0.04 -1.24 -4.63 135.00 130.53 3iqf s PRO 265 Ca 0.35 0.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.10 3iqf s PRO 265 Cb 0.11 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 3iqf s PRO 265 CO -0.10 -0.78 0.80 -1.01 0.04 0.00 0.00 177.00 175.95 3iqf s HIS 266 N -2.87 3.86 0.69 0.56 3.76 -1.26 -0.08 115.29 119.94 3iqf s HIS 266 Ca 0.59 1.64 -0.10 0.00 -0.15 0.00 0.00 55.06 57.03 3iqf s HIS 266 Cb -0.13 -2.78 0.02 0.00 1.11 0.00 0.00 32.58 30.80 3iqf s HIS 266 CO 0.47 0.46 1.05 0.00 -0.85 0.00 0.00 174.74 175.86 3iqf s ALA 267 N -1.25 2.99 0.56 -1.40 0.00 0.36 -4.92 121.76 118.10 3iqf s ALA 267 Ca 0.39 -0.49 0.24 0.00 0.00 0.00 0.00 51.96 52.10 3iqf s ALA 267 Cb -0.22 -2.89 1.53 0.00 0.00 0.00 0.00 23.12 21.54 3iqf s ALA 267 CO 0.26 -1.11 2.15 -1.35 0.00 0.00 0.00 175.76 175.71 3iqf h PRO 268 N -0.57 0.00 -0.06 0.00 0.11 -1.89 0.14 132.00 129.73 3iqf h PRO 268 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iqf h PRO 268 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3iqf h PRO 268 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3iqf n ASP 269 N -4.15 0.97 0.00 -2.05 5.75 -1.26 0.06 116.55 115.86 3iqf n ASP 269 Ca -0.00 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 3iqf n ASP 269 Cb 0.21 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 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 1.05 0.87 3.71 6.12 0.00 0.49 -4.72 105.19 112.71 3iqf n GLY 270 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 2.52 -3.01 1.61 4.81 -1.26 -4.64 118.16 116.19 3iqf n LYS 271 Ca 0.00 0.90 -0.41 0.00 -0.87 0.00 0.00 58.31 57.93 3iqf n LYS 271 Cb 0.00 -2.69 -0.05 0.00 0.02 0.00 0.00 35.03 32.30 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 0.63 4.87 0.69 3.15 1.01 -1.26 -0.48 120.40 129.00 3iqf s VAL 272 Ca 0.72 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.87 3iqf s VAL 272 Cb -0.56 -4.06 0.11 0.00 0.00 0.00 0.00 36.38 31.87 3iqf s VAL 272 CO 0.40 -0.13 0.95 -0.76 0.00 0.00 0.00 175.10 175.56 3iqf s LEU 273 N 2.76 3.02 -0.06 3.92 1.43 0.89 -4.98 118.68 125.66 3iqf s LEU 273 Ca 0.30 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 3iqf s LEU 273 Cb -0.15 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.05 3iqf s LEU 273 CO 0.11 -1.73 0.35 -0.55 0.23 0.00 0.00 176.35 174.76 3iqf s SER 274 N -4.69 -0.29 0.19 2.29 0.15 -1.26 -3.73 113.70 106.35 3iqf s SER 274 Ca 0.65 0.37 -0.20 0.00 0.70 0.00 0.00 55.95 57.47 3iqf s SER 274 Cb -0.06 0.50 0.04 0.00 -1.71 0.00 0.00 66.02 64.79 3iqf s SER 274 CO 0.43 -0.33 0.56 -1.59 1.20 0.00 0.00 173.24 173.51 3iqf s LYS 275 N -0.73 1.36 0.00 5.44 -2.85 -0.34 -1.38 119.74 121.24 3iqf s LYS 275 Ca -0.08 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.17 3iqf s LYS 275 Cb -0.04 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 3iqf s LYS 275 CO 0.03 -0.59 0.00 0.54 0.10 0.00 0.00 175.35 175.43 3iqf n ARG 276 N -0.36 0.00 -2.69 1.78 5.12 -1.26 -1.43 116.66 117.83 3iqf n ARG 276 Ca -0.12 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.39 3iqf n ARG 276 Cb 0.63 -0.77 -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 -1.98 4.73 0.24 5.56 1.02 -1.26 -3.07 119.74 124.99 3iqf s LYS 277 Ca 0.00 1.52 -0.04 0.00 0.02 0.00 0.00 55.97 57.47 3iqf s LYS 277 Cb 0.00 -3.32 0.41 0.00 -0.52 0.00 0.00 37.83 34.40 3iqf s LYS 277 CO 0.00 0.30 1.78 0.35 -0.92 0.00 0.00 175.35 176.85 3iqf h PHE 278 N 4.94 0.71 -0.17 3.18 3.04 -1.91 -1.72 116.94 125.00 3iqf h PHE 278 Ca -0.44 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.54 3iqf h PHE 278 Cb 1.21 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.52 3iqf h PHE 278 CO 0.63 0.23 0.00 -1.33 -2.02 0.00 0.00 178.31 175.82 3iqf n MET 279 N -4.85 1.94 -2.97 1.11 2.81 -1.26 -4.89 117.12 109.02 3iqf n MET 279 Ca 0.13 -1.40 -0.40 0.00 -1.81 0.00 0.00 57.70 54.22 3iqf n MET 279 Cb 0.33 -1.44 -0.06 0.00 -0.71 0.00 0.00 33.22 31.34 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 -1.79 4.56 0.34 0.03 -1.05 -0.65 -5.03 118.70 115.11 3iqf s GLU 280 Ca 0.34 1.15 -0.29 0.00 -0.15 0.00 0.00 54.97 56.03 3iqf s GLU 280 Cb 0.19 -3.30 -0.10 0.00 -0.44 0.00 0.00 34.13 30.48 3iqf s GLU 280 CO 0.29 0.48 1.37 -0.51 0.95 0.00 0.00 175.26 177.83 3iqf s ASP 281 N -0.79 6.64 0.32 0.83 1.01 -1.26 -4.87 116.67 118.55 3iqf s ASP 281 Ca 0.37 2.79 -0.28 0.00 0.71 0.00 0.00 52.55 56.14 3iqf s ASP 281 Cb -0.22 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 40.96 3iqf s ASP 281 CO 0.26 -0.64 1.12 -2.16 0.21 0.00 0.00 175.17 173.96 3iqf s PRO 282 N -1.72 4.44 0.00 8.23 0.04 -1.26 -4.82 135.00 139.90 3iqf s PRO 282 Ca 0.51 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3iqf s PRO 282 Cb -0.42 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3iqf s PRO 282 CO 0.55 0.03 0.00 0.39 0.04 0.00 0.00 177.00 178.00