#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 4.22 0.27 12.58 1.01 -1.26 -4.61 120.40 132.62 3iqf s VAL 3 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.39 3iqf s VAL 3 Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 3iqf s VAL 3 CO 0.00 0.26 0.90 0.00 0.00 0.00 0.00 175.10 176.25 3iqf s ALA 4 N 1.58 3.30 -0.02 5.51 0.00 0.42 -4.91 121.76 127.65 3iqf s ALA 4 Ca 0.05 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.55 3iqf s ALA 4 Cb -0.16 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 3iqf s ALA 4 CO 0.03 0.22 -0.18 0.15 0.00 0.00 0.00 175.76 175.98 3iqf s LYS 5 N -1.71 1.53 0.00 0.00 1.02 -1.26 -1.00 119.74 118.32 3iqf s LYS 5 Ca 0.45 -0.65 -0.10 0.00 0.02 0.00 0.00 55.97 55.69 3iqf s LYS 5 Cb -0.21 -1.45 0.01 0.00 -0.52 0.00 0.00 37.83 35.66 3iqf s LYS 5 CO 0.26 0.37 0.21 0.00 -0.92 0.00 0.00 175.35 175.27 3iqf s ALA 6 N -0.36 -0.50 -0.13 5.17 0.00 -1.03 0.36 121.76 125.28 3iqf s ALA 6 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 3iqf s ALA 6 Cb -0.08 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 3iqf s ALA 6 CO -0.00 -0.26 -0.08 0.42 0.00 0.00 0.00 175.76 175.84 3iqf s ILE 7 N -1.58 3.51 -0.16 0.00 1.01 -1.05 -1.83 121.20 121.11 3iqf s ILE 7 Ca -0.13 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 3iqf s ILE 7 Cb -0.06 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 3iqf s ILE 7 CO 0.02 0.53 0.02 -0.36 0.00 0.00 0.00 174.94 175.14 3iqf s PHE 8 N 0.11 3.16 -0.15 3.97 0.40 0.84 -0.78 117.98 125.54 3iqf s PHE 8 Ca -0.03 -0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 3iqf s PHE 8 Cb -0.14 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 3iqf s PHE 8 CO 0.04 0.13 -0.12 0.42 0.70 0.00 0.00 175.22 176.38 3iqf s ILE 9 N 0.21 3.04 -0.22 0.64 1.01 0.16 -0.91 121.20 125.13 3iqf s ILE 9 Ca 0.01 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3iqf s ILE 9 Cb -0.13 -2.30 0.05 0.00 0.01 0.00 0.00 42.46 40.09 3iqf s ILE 9 CO 0.01 0.51 -0.12 -0.54 0.00 0.00 0.00 174.94 174.80 3iqf s LYS 10 N 0.63 2.22 -0.08 2.79 1.02 -0.33 -0.46 119.74 125.53 3iqf s LYS 10 Ca -0.07 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 54.89 3iqf s LYS 10 Cb -0.15 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 3iqf s LYS 10 CO 0.03 -0.46 -0.07 0.00 -0.92 0.00 0.00 175.35 173.93 3iqf n GLY 12 N 4.41 -2.03 2.89 0.00 0.00 -0.32 -4.19 105.19 105.96 3iqf n GLY 12 Ca -0.18 -1.40 -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 -3.74 -0.06 0.12 1.61 2.47 -1.26 -4.62 114.94 109.47 3iqf s ASN 13 Ca 0.00 0.21 0.06 0.00 0.42 0.00 0.00 52.86 53.54 3iqf s ASN 13 Cb 0.00 0.12 -0.04 0.00 -1.45 0.00 0.00 41.25 39.88 3iqf s ASN 13 CO 0.00 -0.12 -0.14 -0.76 -3.72 0.00 0.00 177.10 172.37 3iqf s LEU 14 N 0.90 2.42 0.28 3.21 1.02 -1.26 -4.57 118.68 120.67 3iqf s LEU 14 Ca -0.07 -0.83 -0.00 0.00 0.02 0.00 0.00 54.13 53.25 3iqf s LEU 14 Cb -0.10 -0.53 0.49 0.00 0.02 0.00 0.00 46.19 46.08 3iqf s LEU 14 CO -0.04 -0.16 1.87 1.23 0.02 0.00 0.00 176.35 179.27 3iqf h GLY 15 N 3.45 1.55 1.26 -3.19 0.00 -1.94 -1.49 103.07 102.71 3iqf h GLY 15 Ca -0.39 -0.44 -0.23 0.00 0.00 0.00 0.00 47.33 46.26 3iqf h GLY 15 CO 0.52 0.26 -0.87 -0.84 0.00 0.00 0.00 176.54 175.60 3iqf h THR 16 N 1.08 1.30 -0.01 4.70 2.02 -1.97 -3.01 112.91 117.01 3iqf h THR 16 Ca 0.46 -2.11 -0.13 0.00 0.77 0.00 0.00 66.41 65.40 3iqf h THR 16 Cb 0.32 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 3iqf h THR 16 CO -0.21 0.66 -0.60 0.77 0.37 0.00 0.00 175.52 176.50 3iqf h SER 17 N 0.45 0.06 -0.38 4.18 4.64 -1.87 -0.54 113.55 120.09 3iqf h SER 17 Ca -0.08 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.16 3iqf h SER 17 Cb 1.50 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.55 3iqf h SER 17 CO 0.17 0.65 0.09 -0.03 -0.87 0.00 0.00 176.83 176.84 3iqf h MET 18 N 0.04 0.69 0.00 4.77 -1.53 -1.21 -3.28 114.93 114.41 3iqf h MET 18 Ca -0.01 -0.14 0.00 0.00 -3.44 0.00 0.00 59.70 56.12 3iqf h MET 18 Cb 1.08 -0.11 0.00 0.00 -0.55 0.00 0.00 31.60 32.02 3iqf h MET 18 CO 0.08 0.65 -1.07 -1.33 0.14 0.00 0.00 176.91 175.38 3iqf n MET 19 N -4.29 1.25 -0.19 0.39 2.81 -1.02 -4.76 117.12 111.30 3iqf n MET 19 Ca 0.03 -0.05 -0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3iqf n MET 19 Cb 0.22 -1.32 0.10 0.00 -0.71 0.00 0.00 33.22 31.52 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 0.31 -0.46 0.03 -0.00 -1.16 -1.10 114.93 112.54 3iqf h MET 20 Ca 0.00 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.70 59.60 3iqf h MET 20 Cb 0.50 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 32.02 3iqf h MET 20 CO 0.00 0.20 -0.01 0.38 -0.00 0.00 0.00 176.91 177.48 3iqf h ASP 21 N 0.32 0.81 0.79 -0.10 2.03 -1.85 -3.23 116.42 115.18 3iqf h ASP 21 Ca 0.30 -0.31 -0.05 0.00 -0.73 0.00 0.00 57.03 56.23 3iqf h ASP 21 Cb 0.40 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 3iqf h ASP 21 CO -0.34 0.93 -0.26 0.24 -1.03 0.00 0.00 179.24 178.78 3iqf h MET 22 N 0.68 0.00 0.00 4.15 2.86 -1.55 -1.73 114.93 119.33 3iqf h MET 22 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3iqf h MET 22 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3iqf h MET 22 CO 0.03 0.26 0.00 -0.07 1.06 0.00 0.00 176.91 178.18 3iqf h LEU 23 N 0.00 0.00 -0.49 1.22 3.38 -1.40 -2.93 115.31 115.09 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 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3iqf h LEU 23 CO 0.03 0.00 -0.46 0.18 0.09 0.00 0.00 178.44 178.29 3iqf n LEU 24 N -2.84 1.22 -2.78 1.67 4.77 -0.65 -4.63 117.00 113.76 3iqf n LEU 24 Ca -0.01 -0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 55.49 3iqf n LEU 24 Cb 0.18 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3iqf n LEU 24 CO 0.21 0.24 0.23 -0.67 -1.33 0.00 0.00 177.39 176.07 3iqf n ASP 25 N -0.72 -2.35 0.28 -1.43 2.03 -1.11 -4.98 116.55 108.28 3iqf n ASP 25 Ca 0.09 -3.46 0.16 0.00 0.52 0.00 0.00 54.79 52.10 3iqf n ASP 25 Cb 0.38 1.67 0.82 0.00 -0.72 0.00 0.00 41.12 43.28 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 3.48 0.00 -0.13 -0.67 9.09 -1.81 -1.18 114.58 123.36 3iqf h GLU 26 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.30 3iqf h GLU 26 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 3iqf h GLU 26 CO 0.25 0.06 0.00 0.54 0.05 0.00 0.00 179.01 179.91 3iqf n ARG 27 N -3.34 2.88 -1.96 1.06 1.74 -1.26 -4.99 116.66 110.78 3iqf n ARG 27 Ca -0.01 -1.77 -0.19 0.00 -0.77 0.00 0.00 57.85 55.10 3iqf n ARG 27 Cb 0.23 -1.14 -0.05 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.19 -0.46 0.26 7.54 0.00 -0.45 -4.87 120.51 122.35 3iqf n ALA 28 Ca 0.05 0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.80 3iqf n ALA 28 Cb 0.34 -1.98 0.12 0.00 0.00 0.00 0.00 19.45 17.93 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 -1.56 2.60 -4.71 0.00 5.68 -1.26 -4.96 116.55 112.34 3iqf n ASP 29 Ca -0.21 -1.76 -0.42 0.00 -0.50 0.00 0.00 54.79 51.90 3iqf n ASP 29 Cb 0.65 -0.12 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 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 -1.12 4.34 0.00 0.11 0.52 -1.26 -4.41 118.95 117.14 3iqf s ARG 30 Ca 0.22 2.01 0.24 0.00 -0.52 0.00 0.00 55.73 57.68 3iqf s ARG 30 Cb 0.13 -3.29 0.20 0.00 0.52 0.00 0.00 34.95 32.52 3iqf s ARG 30 CO 0.19 -0.41 1.27 0.39 0.02 0.00 0.00 175.30 176.75 3iqf n GLU 31 N 4.04 2.32 -0.18 3.54 1.02 0.28 -4.39 120.64 127.27 3iqf n GLU 31 Ca 0.11 -1.92 0.07 0.00 -0.02 0.00 0.00 57.16 55.40 3iqf n GLU 31 Cb 0.43 -1.46 0.16 0.00 -0.02 0.00 0.00 31.44 30.56 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 1.34 2.96 -4.06 1.62 3.85 -1.26 -4.76 116.55 116.23 3iqf n ASP 32 Ca 0.14 -1.92 -0.12 0.00 -0.71 0.00 0.00 54.79 52.19 3iqf n ASP 32 Cb 0.60 -0.23 -0.11 0.00 -1.35 0.00 0.00 41.12 40.02 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 -1.03 0.46 -0.11 2.12 -7.23 -1.26 -0.43 120.40 112.92 3iqf s VAL 33 Ca 0.26 -1.21 -0.05 0.00 -1.81 0.00 0.00 61.98 59.17 3iqf s VAL 33 Cb 0.14 -0.75 0.05 0.00 0.56 0.00 0.00 36.38 36.39 3iqf s VAL 33 CO 0.19 -0.51 0.25 -0.70 -0.31 0.00 0.00 175.10 174.02 3iqf s GLU 34 N -2.01 0.17 0.12 4.82 2.12 -0.17 -4.90 118.70 118.84 3iqf s GLU 34 Ca -0.07 0.62 0.11 0.00 0.36 0.00 0.00 54.97 55.99 3iqf s GLU 34 Cb -0.07 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 3iqf s GLU 34 CO -0.01 -0.22 -0.26 -0.06 -0.54 0.00 0.00 175.26 174.17 3iqf s PHE 35 N 1.81 2.35 0.03 5.30 2.99 -1.26 -2.46 117.98 126.73 3iqf s PHE 35 Ca -0.04 -0.36 0.08 0.00 0.00 0.00 0.00 56.93 56.61 3iqf s PHE 35 Cb -0.11 -1.28 -0.03 0.00 0.00 0.00 0.00 43.02 41.61 3iqf s PHE 35 CO -0.08 0.33 -0.24 1.03 -0.00 0.00 0.00 175.22 176.25 3iqf s ARG 36 N -2.00 1.72 -0.08 0.44 1.81 -0.76 -4.99 118.95 115.08 3iqf s ARG 36 Ca 0.14 -1.01 0.01 0.00 -1.72 0.00 0.00 55.73 53.16 3iqf s ARG 36 Cb -0.10 -1.83 0.02 0.00 -0.45 0.00 0.00 34.95 32.59 3iqf s ARG 36 CO 0.06 0.48 -0.10 0.08 -0.68 0.00 0.00 175.30 175.14 3iqf s VAL 37 N -0.75 1.07 0.10 3.52 1.01 -1.26 -0.11 120.40 123.98 3iqf s VAL 37 Ca 0.10 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3iqf s VAL 37 Cb -0.09 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3iqf s VAL 37 CO 0.01 0.35 -0.07 0.68 0.00 0.00 0.00 175.10 176.08 3iqf s VAL 38 N 1.03 0.73 -1.35 2.92 -7.23 -0.09 -4.97 120.40 111.44 3iqf s VAL 38 Ca -0.08 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 3iqf s VAL 38 Cb -0.15 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.14 3iqf s VAL 38 CO -0.01 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 3iqf n GLY 39 N 0.01 -1.56 0.58 2.32 0.00 -1.26 -1.19 105.19 104.09 3iqf n GLY 39 Ca -0.12 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 44.87 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 0.01 2.20 -2.74 2.61 -2.24 -1.17 -4.96 114.28 107.99 3iqf n THR 40 Ca 0.00 -2.99 0.00 0.00 -2.27 0.00 0.00 64.05 58.79 3iqf n THR 40 Cb 0.00 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.16 0.00 0.08 3.42 2.88 -1.26 -2.78 113.62 114.80 3iqf n SER 41 Ca 0.20 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.86 3iqf n SER 41 Cb 0.73 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.65 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 0.59 -2.73 2.46 0.24 -1.26 -1.17 118.33 116.46 3iqf n VAL 42 Ca 0.00 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 3iqf n VAL 42 Cb 0.00 -0.78 -0.03 0.00 -1.47 0.00 0.00 33.84 31.56 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 -3.12 4.44 -0.04 7.34 1.02 -1.12 -3.35 119.74 124.91 3iqf s LYS 43 Ca 0.09 1.34 0.19 0.00 0.02 0.00 0.00 55.97 57.62 3iqf s LYS 43 Cb 0.12 -3.52 0.36 0.00 -0.52 0.00 0.00 37.83 34.27 3iqf s LYS 43 CO 0.48 -0.24 1.15 0.00 -0.92 0.00 0.00 175.35 175.83 3iqf n MET 44 N 4.71 0.34 -1.30 1.68 0.00 -1.26 -3.93 117.12 117.36 3iqf n MET 44 Ca 0.07 -2.11 -0.31 0.00 0.00 0.00 0.00 57.70 55.36 3iqf n MET 44 Cb 0.49 -0.42 0.09 0.00 0.00 0.00 0.00 33.22 33.38 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 -2.11 4.43 0.26 3.17 -4.77 -1.26 -3.84 116.67 112.54 3iqf s ASP 45 Ca 0.30 1.72 -0.02 0.00 -3.30 0.00 0.00 52.55 51.24 3iqf s ASP 45 Cb 0.32 -2.44 0.48 0.00 -1.09 0.00 0.00 42.92 40.20 3iqf s ASP 45 CO -0.12 -2.07 1.78 -0.65 0.70 0.00 0.00 175.17 174.81 3iqf h PRO 46 N -1.15 0.66 -0.43 2.11 0.11 -1.86 -0.75 132.00 130.69 3iqf h PRO 46 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3iqf h PRO 46 Cb 1.24 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3iqf h PRO 46 CO 0.53 0.44 0.20 0.93 -0.21 0.00 0.00 178.00 179.89 3iqf h GLU 47 N 0.68 0.62 -0.37 1.05 3.07 -1.96 0.42 114.58 118.10 3iqf h GLU 47 Ca 0.44 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 59.13 3iqf h GLU 47 Cb 0.55 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3iqf h GLU 47 CO -0.32 0.54 -0.07 0.00 -1.40 0.00 0.00 179.01 177.76 3iqf h VAL 49 N 0.50 1.22 -0.43 0.00 2.07 -0.98 0.16 116.25 118.79 3iqf h VAL 49 Ca 0.10 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 66.95 3iqf h VAL 49 Cb 0.58 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3iqf h VAL 49 CO 0.03 0.25 0.16 -0.08 0.02 0.00 0.00 177.57 177.95 3iqf h GLU 50 N 0.50 0.32 -0.77 1.57 4.81 -0.87 0.25 114.58 120.39 3iqf h GLU 50 Ca 0.13 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3iqf h GLU 50 Cb 0.27 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 3iqf h GLU 50 CO -0.00 0.21 0.48 0.00 -0.73 0.00 0.00 179.01 178.97 3iqf h ALA 51 N 1.28 1.03 -0.34 2.92 0.00 -1.02 0.71 119.26 123.84 3iqf h ALA 51 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 51 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iqf h ALA 51 CO -0.20 0.24 0.12 0.00 0.00 0.00 0.00 179.25 179.41 3iqf h ALA 52 N 1.35 0.44 -0.22 0.00 0.00 -0.15 -1.17 119.26 119.51 3iqf h ALA 52 Ca 0.32 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3iqf h ALA 52 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iqf h ALA 52 CO -0.14 0.06 -0.42 0.28 0.00 0.00 0.00 179.25 179.03 3iqf h VAL 53 N 0.40 1.30 -0.63 0.00 2.07 -0.66 -2.10 116.25 116.62 3iqf h VAL 53 Ca 0.11 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.05 3iqf h VAL 53 Cb 0.21 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 3iqf h VAL 53 CO -0.01 0.50 0.41 -0.33 0.02 0.00 0.00 177.57 178.16 3iqf h GLU 54 N 0.44 0.84 -0.29 1.57 5.08 -0.78 0.12 114.58 121.56 3iqf h GLU 54 Ca 0.04 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3iqf h GLU 54 Cb 0.91 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 3iqf h GLU 54 CO 0.08 0.56 0.02 0.52 -1.00 0.00 0.00 179.01 179.18 3iqf h MET 55 N 0.86 0.10 -0.04 2.33 2.86 -0.86 0.96 114.93 121.14 3iqf h MET 55 Ca 0.23 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3iqf h MET 55 Cb -0.09 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3iqf h MET 55 CO -0.05 0.07 -0.04 0.00 1.06 0.00 0.00 176.91 177.95 3iqf h ALA 56 N 1.24 0.00 -0.24 6.32 0.00 -1.05 -0.99 119.26 124.54 3iqf h ALA 56 Ca 0.14 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 56 Cb 0.17 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iqf h ALA 56 CO -0.22 -0.52 -0.18 -0.07 0.00 0.00 0.00 179.25 178.27 3iqf h LEU 57 N -0.04 0.40 -0.19 0.00 3.38 -0.77 0.54 115.31 118.62 3iqf h LEU 57 Ca 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iqf h LEU 57 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3iqf h LEU 57 CO -0.07 0.60 0.08 0.44 0.09 0.00 0.00 178.44 179.58 3iqf h ASP 58 N 0.38 0.26 -0.36 -0.43 3.32 -0.51 -2.82 116.42 116.26 3iqf h ASP 58 Ca 0.07 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 3iqf h ASP 58 Cb 0.53 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3iqf h ASP 58 CO 0.03 0.34 0.07 0.40 -1.72 0.00 0.00 179.24 178.37 3iqf h ILE 59 N 0.16 1.21 -0.12 0.35 2.04 -0.85 -3.03 117.51 117.26 3iqf h ILE 59 Ca 0.06 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3iqf h ILE 59 Cb 0.16 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3iqf h ILE 59 CO -0.01 0.28 -0.02 0.00 0.00 0.00 0.00 178.15 178.40 3iqf h ALA 60 N 1.44 1.74 -0.64 1.87 0.00 -0.64 0.22 119.26 123.24 3iqf h ALA 60 Ca 0.14 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.08 3iqf h ALA 60 Cb 0.29 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 3iqf h ALA 60 CO 0.00 0.20 -0.17 0.93 0.00 0.00 0.00 179.25 180.21 3iqf h GLU 61 N 0.17 -0.01 0.04 0.00 5.08 -1.39 0.12 114.58 118.59 3iqf h GLU 61 Ca 0.04 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.06 3iqf h GLU 61 Cb 0.16 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3iqf h GLU 61 CO 0.01 -0.01 -1.99 -0.25 -1.00 0.00 0.00 179.01 175.76 3iqf n ASP 62 N -5.44 1.25 0.06 1.42 8.00 -0.96 -4.44 116.55 116.44 3iqf n ASP 62 Ca 0.08 0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.68 3iqf n ASP 62 Cb 0.34 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.61 -5.56 1.24 3.57 -0.82 -3.48 116.94 112.52 3iqf h PHE 63 Ca -0.40 -0.30 -0.26 0.00 3.53 0.00 0.00 57.97 60.53 3iqf h PHE 63 Cb 2.05 -0.08 0.17 0.00 2.79 0.00 0.00 35.95 40.88 3iqf h PHE 63 CO 0.03 1.10 -0.82 0.39 -2.23 0.00 0.00 178.31 176.78 3iqf n GLU 64 N -3.79 -2.05 -2.34 1.11 1.02 0.41 -4.97 120.64 110.03 3iqf n GLU 64 Ca -0.06 0.85 -0.35 0.00 -0.02 0.00 0.00 57.16 57.58 3iqf n GLU 64 Cb 0.78 -5.59 -0.01 0.00 -0.02 0.00 0.00 31.44 26.61 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 -4.53 3.55 0.18 3.49 0.04 -1.26 -4.84 135.00 131.64 3iqf s PRO 65 Ca 0.43 1.57 0.06 0.00 0.04 0.00 0.00 61.00 63.10 3iqf s PRO 65 Cb -0.07 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.41 3iqf s PRO 65 CO 0.76 -0.67 1.42 -0.44 0.04 0.00 0.00 177.00 178.10 3iqf h ASP 66 N 1.45 0.12 -5.10 6.66 5.19 -0.47 -3.47 116.42 120.81 3iqf h ASP 66 Ca -0.50 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 55.78 3iqf h ASP 66 Cb 1.25 -0.04 -0.11 0.00 0.18 0.00 0.00 39.33 40.61 3iqf h ASP 66 CO 0.58 0.90 -0.03 0.72 -3.12 0.00 0.00 179.24 178.29 3iqf s PHE 67 N -3.20 -0.11 -0.03 4.55 -0.12 -1.18 -4.26 117.98 113.63 3iqf s PHE 67 Ca -0.01 -0.23 0.06 0.00 -0.05 0.00 0.00 56.93 56.70 3iqf s PHE 67 Cb 0.11 0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 3iqf s PHE 67 CO 0.81 -0.83 -0.20 0.42 -0.05 0.00 0.00 175.22 175.37 3iqf s ILE 68 N -3.86 1.65 -0.13 -4.49 1.01 0.23 -2.52 121.20 113.09 3iqf s ILE 68 Ca 0.08 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3iqf s ILE 68 Cb 0.00 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.08 3iqf s ILE 68 CO -0.06 0.47 -0.18 -0.69 0.00 0.00 0.00 174.94 174.48 3iqf s VAL 69 N -0.29 2.56 -0.16 2.92 1.01 0.04 -1.05 120.40 125.43 3iqf s VAL 69 Ca 0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3iqf s VAL 69 Cb -0.10 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3iqf s VAL 69 CO 0.01 0.54 -0.06 -0.47 0.00 0.00 0.00 175.10 175.11 3iqf s TYR 70 N 0.50 2.96 -0.05 5.22 6.14 -0.34 0.40 117.35 132.18 3iqf s TYR 70 Ca -0.12 -0.46 0.02 0.00 0.64 0.00 0.00 57.07 57.15 3iqf s TYR 70 Cb -0.16 -1.95 0.02 0.00 0.42 0.00 0.00 41.96 40.28 3iqf s TYR 70 CO 0.05 -0.14 -0.08 0.20 0.64 0.00 0.00 175.55 176.22 3iqf s GLY 71 N 0.49 0.56 0.00 8.97 0.00 0.40 -0.35 107.32 117.39 3iqf s GLY 71 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.47 3iqf s GLY 71 CO 0.03 0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.97 3iqf n GLY 72 N 3.81 -2.06 3.73 0.20 0.00 -0.90 -2.66 105.19 107.31 3iqf n GLY 72 Ca -0.23 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.82 2.46 -0.48 1.61 0.02 -1.26 -4.26 135.00 131.27 3iqf s PRO 73 Ca 0.00 1.99 -0.36 0.00 0.02 0.00 0.00 61.00 62.65 3iqf s PRO 73 Cb 0.00 -1.84 0.05 0.00 0.02 0.00 0.00 34.50 32.73 3iqf s PRO 73 CO 0.00 -1.65 0.66 -1.71 -0.33 0.00 0.00 177.00 173.97 3iqf n ASN 74 N -2.08 -5.52 0.29 2.53 2.85 -1.26 -4.86 115.26 107.20 3iqf n ASN 74 Ca 0.15 -0.20 0.15 0.00 -0.11 0.00 0.00 54.58 54.57 3iqf n ASN 74 Cb 0.49 -1.76 0.73 0.00 1.24 0.00 0.00 39.78 40.48 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 1.91 0.00 0.00 1.20 0.11 -1.87 -0.40 132.00 132.95 3iqf h PRO 75 Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3iqf h PRO 75 Cb 1.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 3iqf h PRO 75 CO 0.24 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 177.78 3iqf n ALA 76 N -1.93 2.63 -1.60 -0.75 0.00 -1.26 -3.42 120.51 114.18 3iqf n ALA 76 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 3iqf n ALA 76 Cb 0.49 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.67 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 2.51 0.18 0.00 0.00 -0.16 -4.75 121.76 116.45 3iqf s ALA 77 Ca 0.10 -0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 3iqf s ALA 77 Cb 0.14 -3.13 0.15 0.00 0.00 0.00 0.00 23.12 20.29 3iqf s ALA 77 CO 0.63 -1.44 1.76 -1.35 0.00 0.00 0.00 175.76 175.37 3iqf h PRO 78 N -0.88 0.38 0.42 0.00 0.11 -1.90 0.57 132.00 130.70 3iqf h PRO 78 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3iqf h PRO 78 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3iqf h PRO 78 CO 0.59 0.25 -0.20 0.78 -0.21 0.00 0.00 178.00 179.21 3iqf h GLY 79 N 0.39 -0.59 1.87 -0.55 0.00 -1.84 -2.51 103.07 99.84 3iqf h GLY 79 Ca 0.23 0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.79 3iqf h GLY 79 CO -0.21 -0.21 0.06 -2.55 0.00 0.00 0.00 176.54 173.63 3iqf h PRO 80 N -0.76 0.05 -0.57 4.80 0.11 -1.74 -0.96 132.00 132.93 3iqf h PRO 80 Ca -0.06 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 3iqf h PRO 80 Cb 0.53 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 3iqf h PRO 80 CO 0.09 0.03 0.21 0.77 -0.21 0.00 0.00 178.00 178.90 3iqf h SER 81 N 0.05 0.77 -0.47 -2.05 0.02 -0.78 -1.28 113.55 109.80 3iqf h SER 81 Ca 0.04 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 3iqf h SER 81 Cb 0.09 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3iqf h SER 81 CO -0.00 0.70 0.06 0.11 -1.14 0.00 0.00 176.83 176.56 3iqf h LYS 82 N 0.82 0.78 -0.70 3.45 6.56 -0.74 -1.40 116.57 125.35 3iqf h LYS 82 Ca 0.19 -0.22 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 3iqf h LYS 82 Cb 0.19 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.73 3iqf h LYS 82 CO -0.02 0.80 0.35 0.00 -2.06 0.00 0.00 179.45 178.53 3iqf h ALA 83 N 0.95 0.90 -0.33 3.86 0.00 -0.97 0.00 119.26 123.67 3iqf h ALA 83 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iqf h ALA 83 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3iqf h ALA 83 CO 0.01 0.45 0.22 0.00 0.00 0.00 0.00 179.25 179.93 3iqf h ARG 84 N 0.97 0.44 0.11 0.00 3.08 -1.08 0.16 114.38 118.06 3iqf h ARG 84 Ca 0.24 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.28 3iqf h ARG 84 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3iqf h ARG 84 CO -0.03 0.29 -0.26 0.93 -1.07 0.00 0.00 179.97 179.83 3iqf h GLU 85 N 0.45 -0.45 -0.60 0.04 5.08 -0.89 0.23 114.58 118.44 3iqf h GLU 85 Ca 0.12 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3iqf h GLU 85 Cb -0.05 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3iqf h GLU 85 CO -0.03 -0.30 0.30 0.52 -1.00 0.00 0.00 179.01 178.50 3iqf h MET 86 N -0.46 0.86 -0.20 2.33 2.86 -0.80 -1.69 114.93 117.83 3iqf h MET 86 Ca 0.03 -0.12 -0.21 0.00 -2.06 0.00 0.00 59.70 57.34 3iqf h MET 86 Cb 0.49 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.00 3iqf h MET 86 CO -0.16 0.69 -0.69 -0.07 1.06 0.00 0.00 176.91 177.74 3iqf h LEU 87 N 0.82 0.92 -1.12 1.22 3.38 -0.60 -2.17 115.31 117.77 3iqf h LEU 87 Ca 0.21 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3iqf h LEU 87 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3iqf h LEU 87 CO -0.03 1.35 0.41 0.00 0.09 0.00 0.00 178.44 180.27 3iqf h ALA 88 N 0.64 1.33 0.00 1.53 0.00 -0.47 -2.23 119.26 120.06 3iqf h ALA 88 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3iqf h ALA 88 Cb 1.30 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3iqf h ALA 88 CO 0.14 0.55 0.00 -0.44 0.00 0.00 0.00 179.25 179.50 3iqf h ASP 89 N 1.03 0.00 -4.37 0.00 3.32 -1.17 -3.46 116.42 111.77 3iqf h ASP 89 Ca 0.26 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.85 3iqf h ASP 89 Cb 0.01 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.68 3iqf h ASP 89 CO -0.04 0.00 0.34 -0.94 -1.72 0.00 0.00 179.24 176.88 3iqf s SER 90 N -5.40 4.01 0.00 6.45 1.04 -0.83 -4.96 113.70 114.01 3iqf s SER 90 Ca 0.04 0.95 0.25 0.00 0.48 0.00 0.00 55.95 57.67 3iqf s SER 90 Cb 0.08 -1.53 1.37 0.00 0.10 0.00 0.00 66.02 66.05 3iqf s SER 90 CO 0.54 -2.24 1.90 -1.84 0.98 0.00 0.00 173.24 172.59 3iqf n GLU 91 N -3.56 1.17 -3.59 4.02 -0.00 -1.26 -4.85 120.64 112.57 3iqf n GLU 91 Ca 0.07 -0.26 -0.36 0.00 -0.00 0.00 0.00 57.16 56.61 3iqf n GLU 91 Cb 0.59 -1.41 -0.08 0.00 -0.00 0.00 0.00 31.44 30.55 3iqf n GLU 91 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3iqf s TYR 92 N -1.98 3.43 0.32 -1.84 2.02 -1.26 -5.06 117.35 112.98 3iqf s TYR 92 Ca 0.38 0.49 -0.28 0.00 -0.37 0.00 0.00 57.07 57.28 3iqf s TYR 92 Cb 0.18 -2.30 -0.13 0.00 -0.40 0.00 0.00 41.96 39.31 3iqf s TYR 92 CO 0.30 0.21 1.24 -2.30 -1.57 0.00 0.00 175.55 173.43 3iqf n PRO 93 N 3.70 1.93 -3.89 -1.71 -0.02 -1.26 -4.81 135.00 128.95 3iqf n PRO 93 Ca -0.13 0.68 -0.11 0.00 -2.02 0.00 0.00 63.50 61.92 3iqf n PRO 93 Cb 0.52 -2.22 -0.11 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 -0.96 -0.24 -0.05 3.55 0.00 -1.26 -0.60 121.76 122.21 3iqf s ALA 94 Ca 0.58 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.44 3iqf s ALA 94 Cb -0.61 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 3iqf s ALA 94 CO 0.60 -0.17 -0.19 0.08 0.00 0.00 0.00 175.76 176.08 3iqf s VAL 95 N -1.16 1.60 -0.28 0.00 1.01 -0.22 -0.93 120.40 120.43 3iqf s VAL 95 Ca -0.12 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 3iqf s VAL 95 Cb -0.07 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3iqf s VAL 95 CO 0.01 0.46 0.11 -0.63 0.00 0.00 0.00 175.10 175.04 3iqf s ILE 96 N 0.03 4.46 -0.22 2.22 -1.09 0.51 -1.19 121.20 125.91 3iqf s ILE 96 Ca -0.05 -0.29 -0.15 0.00 -2.23 0.00 0.00 60.65 57.93 3iqf s ILE 96 Cb -0.13 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 3iqf s ILE 96 CO 0.03 0.20 0.36 -0.63 -1.23 0.00 0.00 174.94 173.67 3iqf s ILE 97 N 1.61 5.22 0.00 2.92 1.09 0.53 -0.68 121.20 131.89 3iqf s ILE 97 Ca 0.05 0.60 0.00 0.00 -1.10 0.00 0.00 60.65 60.20 3iqf s ILE 97 Cb -0.16 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 3iqf s ILE 97 CO 0.05 0.25 0.00 0.61 -0.10 0.00 0.00 174.94 175.75 3iqf n GLY 98 N 4.13 3.31 0.75 6.18 0.00 -0.47 -2.12 105.19 116.97 3iqf n GLY 98 Ca -0.09 -1.24 -0.07 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.33 2.19 -0.27 1.61 3.85 -1.26 -0.86 116.55 120.49 3iqf n ASP 99 Ca 0.00 -1.45 0.00 0.00 -0.71 0.00 0.00 54.79 52.64 3iqf n ASP 99 Cb 0.00 0.06 0.13 0.00 -1.35 0.00 0.00 41.12 39.96 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 1.02 1.04 -0.25 2.12 0.00 -1.80 -0.91 119.26 120.48 3iqf h ALA 100 Ca -0.08 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3iqf h ALA 100 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3iqf h ALA 100 CO 0.14 0.10 0.34 -1.35 0.00 0.00 0.00 179.25 178.48 3iqf h PRO 101 N 0.76 0.00 -0.09 0.00 0.10 -1.96 0.08 132.00 130.89 3iqf h PRO 101 Ca 0.35 0.00 0.03 0.00 0.10 0.00 0.00 66.00 66.47 3iqf h PRO 101 Cb 0.25 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.35 3iqf h PRO 101 CO -0.21 0.00 0.14 0.78 0.10 0.00 0.00 178.00 178.81 3iqf h GLY 102 N 0.00 0.00 1.36 -0.55 0.00 -1.52 -2.68 103.07 99.68 3iqf h GLY 102 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.54 3iqf h GLY 102 CO -0.00 0.00 0.24 1.41 0.00 0.00 0.00 176.54 178.18 3iqf h LEU 103 N 0.00 0.00 -2.12 3.11 3.38 -1.13 -1.20 115.31 117.36 3iqf h LEU 103 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3iqf h LEU 103 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3iqf h LEU 103 CO -0.00 0.00 -0.07 0.11 0.09 0.00 0.00 178.44 178.57 3iqf h LYS 104 N 0.00 0.00 -0.11 1.13 1.57 -1.69 -2.80 116.57 114.67 3iqf h LYS 104 Ca 0.15 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3iqf h LYS 104 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3iqf h LYS 104 CO -0.00 0.07 -0.07 1.33 -0.57 0.00 0.00 179.45 180.21 3iqf n VAL 105 N -3.83 2.12 -0.04 0.50 0.24 -0.46 -4.78 118.33 112.07 3iqf n VAL 105 Ca -0.02 -2.33 -0.10 0.00 -2.04 0.00 0.00 64.34 59.84 3iqf n VAL 105 Cb 0.17 -0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 32.24 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 0.75 0.26 -0.40 7.34 3.64 -1.37 0.12 116.57 126.91 3iqf h LYS 106 Ca 0.02 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 3iqf h LYS 106 Cb 1.20 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3iqf h LYS 106 CO 0.11 0.24 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.86 3iqf h ASP 107 N 0.21 0.82 -0.40 4.20 3.32 -1.86 -2.10 116.42 120.60 3iqf h ASP 107 Ca 0.07 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.84 3iqf h ASP 107 Cb 0.05 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3iqf h ASP 107 CO -0.01 1.02 0.21 -0.08 -1.72 0.00 0.00 179.24 178.66 3iqf h GLU 108 N 0.70 0.42 -0.86 3.56 4.81 -1.82 -1.47 114.58 119.92 3iqf h GLU 108 Ca 0.09 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3iqf h GLU 108 Cb 0.75 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 3iqf h GLU 108 CO 0.06 0.28 0.57 0.52 -0.73 0.00 0.00 179.01 179.71 3iqf h MET 109 N 0.43 1.12 -0.62 1.92 2.86 -0.53 0.17 114.93 120.28 3iqf h MET 109 Ca 0.17 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3iqf h MET 109 Cb 0.05 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 3iqf h MET 109 CO -0.10 0.74 0.16 0.93 1.06 0.00 0.00 176.91 179.70 3iqf h GLU 110 N 1.15 0.95 0.00 1.72 5.08 -1.01 -1.32 114.58 121.15 3iqf h GLU 110 Ca 0.32 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3iqf h GLU 110 Cb -0.10 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3iqf h GLU 110 CO -0.08 0.84 -0.55 1.49 -1.00 0.00 0.00 179.01 179.71 3iqf h GLU 111 N 0.91 0.00 0.00 2.33 4.81 -0.76 -2.43 114.58 119.44 3iqf h GLU 111 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3iqf h GLU 111 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3iqf h GLU 111 CO -0.00 0.55 0.00 1.04 -0.73 0.00 0.00 179.01 179.87 3iqf n GLN 112 N -3.43 0.03 -1.62 1.92 6.02 0.54 -4.91 117.38 115.93 3iqf n GLN 112 Ca 0.00 0.20 -0.06 0.00 -0.01 0.00 0.00 57.00 57.14 3iqf n GLN 112 Cb 0.67 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.41 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 0.22 0.49 3.91 1.08 0.00 -0.85 -4.75 105.19 105.29 3iqf n GLY 113 Ca 0.05 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.48 4.35 0.60 0.99 1.43 -0.56 -4.78 118.68 119.24 3iqf s LEU 114 Ca 0.00 0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 3iqf s LEU 114 Cb 0.00 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 3iqf s LEU 114 CO 0.00 0.19 0.95 -0.83 0.23 0.00 0.00 176.35 176.90 3iqf s GLY 115 N -2.22 1.60 -0.03 -3.19 0.00 -0.10 -4.38 107.32 98.99 3iqf s GLY 115 Ca 0.33 -0.39 -0.18 0.00 0.00 0.00 0.00 44.72 44.48 3iqf s GLY 115 CO 0.23 -0.12 0.39 -2.52 0.00 0.00 0.00 173.10 171.08 3iqf s TYR 116 N -3.07 -0.29 -0.23 1.90 1.13 0.44 -0.37 117.35 116.87 3iqf s TYR 116 Ca 0.54 0.48 -0.01 0.00 -1.41 0.00 0.00 57.07 56.67 3iqf s TYR 116 Cb -0.11 0.16 0.07 0.00 -1.10 0.00 0.00 41.96 40.98 3iqf s TYR 116 CO 0.49 -0.42 0.02 0.42 -2.51 0.00 0.00 175.55 173.55 3iqf s ILE 117 N -1.20 0.89 -0.25 -3.49 1.01 0.14 -0.92 121.20 117.38 3iqf s ILE 117 Ca -0.12 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 3iqf s ILE 117 Cb -0.04 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3iqf s ILE 117 CO 0.05 -0.27 0.08 -0.76 0.00 0.00 0.00 174.94 174.05 3iqf s LEU 118 N 1.67 3.50 -0.52 2.97 1.43 -0.03 -1.37 118.68 126.33 3iqf s LEU 118 Ca -0.00 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3iqf s LEU 118 Cb -0.18 -1.94 0.13 0.00 0.03 0.00 0.00 46.19 44.24 3iqf s LEU 118 CO -0.10 -0.03 0.38 -0.69 0.23 0.00 0.00 176.35 176.13 3iqf s VAL 119 N 1.60 4.09 0.26 -1.59 1.01 -0.04 -0.61 120.40 125.12 3iqf s VAL 119 Ca 0.06 -2.10 -0.05 0.00 0.00 0.00 0.00 61.98 59.89 3iqf s VAL 119 Cb -0.15 -3.69 0.25 0.00 0.00 0.00 0.00 36.38 32.79 3iqf s VAL 119 CO 0.04 -0.80 1.93 0.11 0.00 0.00 0.00 175.10 176.38 3iqf h LYS 120 N 8.08 1.23 0.00 2.72 1.57 -1.38 -1.66 116.57 127.12 3iqf h LYS 120 Ca -0.14 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3iqf h LYS 120 Cb 1.04 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3iqf h LYS 120 CO 0.80 0.83 0.00 -2.30 -0.57 0.00 0.00 179.45 178.21 3iqf n PRO 121 N -4.38 0.25 -2.27 3.15 -0.02 -1.26 -4.33 135.00 126.15 3iqf n PRO 121 Ca 0.10 0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 3iqf n PRO 121 Cb 0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3iqf n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iqf n ASP 122 N -1.24 4.59 -4.78 2.55 -0.08 -0.62 -4.38 116.55 112.58 3iqf n ASP 122 Ca 0.08 -2.92 -0.39 0.00 -1.51 0.00 0.00 54.79 50.05 3iqf n ASP 122 Cb 0.11 -1.66 -0.06 0.00 2.34 0.00 0.00 41.12 41.85 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 2.97 3.39 0.32 -1.67 0.00 -1.26 -4.75 121.76 120.75 3iqf s ALA 123 Ca 0.48 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 3iqf s ALA 123 Cb 0.08 -3.01 -0.12 0.00 0.00 0.00 0.00 23.12 20.06 3iqf s ALA 123 CO -0.00 0.27 1.45 -0.12 0.00 0.00 0.00 175.76 177.35 3iqf n MET 124 N 1.26 2.40 -1.74 0.00 1.56 -1.26 -4.91 117.12 114.43 3iqf n MET 124 Ca -0.03 0.85 -0.20 0.00 -0.27 0.00 0.00 57.70 58.05 3iqf n MET 124 Cb 0.49 -2.54 0.12 0.00 2.15 0.00 0.00 33.22 33.45 3iqf n MET 124 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 3iqf n LEU 125 N 1.36 0.00 -4.24 -0.89 -0.00 -1.26 -4.49 117.00 107.47 3iqf n LEU 125 Ca 0.06 -1.33 -0.44 0.00 -0.00 0.00 0.00 56.01 54.31 3iqf n LEU 125 Cb 0.36 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 3iqf n LEU 125 CO 0.63 -1.05 1.53 0.61 -0.00 0.00 0.00 177.39 179.11 3iqf n GLY 126 N -1.18 3.96 2.78 1.47 0.00 -1.26 -4.84 105.19 106.11 3iqf n GLY 126 Ca 0.12 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 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 4.68 5.65 -2.69 4.61 0.00 -1.26 -4.24 120.51 127.26 3iqf n ALA 127 Ca 0.36 -4.22 -0.32 0.00 0.00 0.00 0.00 53.44 49.26 3iqf n ALA 127 Cb 0.40 -3.02 -0.15 0.00 0.00 0.00 0.00 19.45 16.68 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 0.50 2.62 0.48 0.00 1.81 -1.26 -4.96 118.95 118.13 3iqf s ARG 128 Ca 0.43 -0.84 0.17 0.00 -1.72 0.00 0.00 55.73 53.78 3iqf s ARG 128 Cb 0.12 -2.26 1.17 0.00 -0.45 0.00 0.00 34.95 33.53 3iqf s ARG 128 CO -0.02 0.42 2.02 -0.09 -0.68 0.00 0.00 175.30 176.95 3iqf h ARG 129 N 5.95 0.22 0.00 3.54 2.43 -1.90 0.19 114.38 124.82 3iqf h ARG 129 Ca -0.35 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3iqf h ARG 129 Cb 1.17 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3iqf h ARG 129 CO 0.49 0.15 0.00 0.93 -1.51 0.00 0.00 179.97 180.02 3iqf h GLU 130 N 0.23 0.00 0.00 0.20 3.07 -1.96 -3.36 114.58 112.76 3iqf h GLU 130 Ca 0.22 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.01 3iqf h GLU 130 Cb 0.57 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3iqf h GLU 130 CO -0.04 0.00 -1.24 0.34 -1.40 0.00 0.00 179.01 176.67 3iqf n PHE 131 N -2.72 0.00 -3.04 4.33 7.35 -0.32 -4.98 117.46 118.09 3iqf n PHE 131 Ca 0.01 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.25 3iqf n PHE 131 Cb 0.24 -0.15 -0.04 0.00 0.35 0.00 0.00 39.48 39.87 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 -6.09 5.16 0.58 -2.13 2.96 0.53 -4.86 118.68 114.83 3iqf s LEU 132 Ca -0.06 -1.44 0.09 0.00 -0.22 0.00 0.00 54.13 52.50 3iqf s LEU 132 Cb 0.02 -2.34 0.09 0.00 0.50 0.00 0.00 46.19 44.46 3iqf s LEU 132 CO 0.08 -1.17 0.79 1.51 -1.32 0.00 0.00 176.35 176.24 3iqf s ASP 133 N 3.58 5.09 0.24 3.68 -4.77 -1.26 -4.66 116.67 118.56 3iqf s ASP 133 Ca 0.17 -0.82 -0.06 0.00 -3.30 0.00 0.00 52.55 48.53 3iqf s ASP 133 Cb -0.20 0.27 0.31 0.00 -1.09 0.00 0.00 42.92 42.21 3iqf s ASP 133 CO 0.05 -1.35 1.85 -0.65 0.70 0.00 0.00 175.17 175.77 3iqf h PRO 134 N 0.16 0.92 -0.02 2.11 0.11 -1.99 -0.39 132.00 132.91 3iqf h PRO 134 Ca -0.30 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3iqf h PRO 134 Cb 1.29 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3iqf h PRO 134 CO 0.41 0.61 0.01 0.28 -0.21 0.00 0.00 178.00 179.10 3iqf h VAL 135 N 0.95 1.02 -0.92 3.15 2.07 -1.98 -0.70 116.25 119.84 3iqf h VAL 135 Ca 0.36 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.82 3iqf h VAL 135 Cb 0.14 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3iqf h VAL 135 CO -0.16 0.02 0.59 -0.08 0.02 0.00 0.00 177.57 177.96 3iqf h GLU 136 N 0.00 1.22 -0.42 1.57 4.57 -1.81 0.65 114.58 120.37 3iqf h GLU 136 Ca 0.01 -0.09 0.06 0.00 -1.18 0.00 0.00 59.36 58.16 3iqf h GLU 136 Cb 0.02 -0.27 -0.05 0.00 -0.16 0.00 0.00 28.75 28.29 3iqf h GLU 136 CO -0.00 0.83 0.11 1.98 -1.18 0.00 0.00 179.01 180.74 3iqf h MET 137 N 1.26 0.24 -0.47 1.92 4.05 -0.86 -0.75 114.93 120.31 3iqf h MET 137 Ca 0.34 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.61 3iqf h MET 137 Cb -0.12 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 3iqf h MET 137 CO -0.07 0.16 -0.22 0.00 0.23 0.00 0.00 176.91 177.01 3iqf h ALA 138 N 1.31 0.66 -0.67 0.39 0.00 -0.31 -1.92 119.26 118.73 3iqf h ALA 138 Ca 0.20 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iqf h ALA 138 Cb 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3iqf h ALA 138 CO -0.25 0.65 0.40 0.82 0.00 0.00 0.00 179.25 180.88 3iqf h ILE 139 N 0.83 1.19 -0.23 0.00 2.04 -0.64 -0.07 117.51 120.63 3iqf h ILE 139 Ca 0.11 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3iqf h ILE 139 Cb 0.80 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3iqf h ILE 139 CO 0.07 0.20 0.15 0.22 0.00 0.00 0.00 178.15 178.78 3iqf h TYR 140 N 0.91 0.30 -0.51 1.37 3.20 -0.99 -1.93 116.97 119.30 3iqf h TYR 140 Ca 0.24 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3iqf h TYR 140 Cb -0.03 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3iqf h TYR 140 CO -0.02 0.21 0.26 -0.91 -1.64 0.00 0.00 178.16 176.06 3iqf h ASN 141 N 0.30 0.64 -0.26 -2.11 2.35 -0.96 0.92 115.58 116.46 3iqf h ASN 141 Ca 0.08 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3iqf h ASN 141 Cb -0.01 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3iqf h ASN 141 CO -0.02 0.54 0.11 0.00 -1.65 0.00 0.00 177.43 176.41 3iqf h ALA 142 N 1.57 0.34 -0.37 -0.83 0.00 -0.49 -0.62 119.26 118.85 3iqf h ALA 142 Ca 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3iqf h ALA 142 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3iqf h ALA 142 CO -0.03 -0.07 0.10 -0.44 0.00 0.00 0.00 179.25 178.81 3iqf h ASP 143 N 0.28 0.55 -0.72 0.00 3.32 -0.94 -1.69 116.42 117.21 3iqf h ASP 143 Ca 0.09 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3iqf h ASP 143 Cb 0.17 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3iqf h ASP 143 CO -0.01 0.63 0.40 0.25 -1.72 0.00 0.00 179.24 178.79 3iqf h LEU 144 N 0.44 0.90 -0.61 1.55 5.85 -0.75 -1.72 115.31 120.97 3iqf h LEU 144 Ca 0.12 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3iqf h LEU 144 Cb 0.29 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3iqf h LEU 144 CO -0.00 0.73 0.34 -0.03 -0.34 0.00 0.00 178.44 179.14 3iqf h MET 145 N 0.99 0.85 -0.62 1.25 4.05 -1.02 0.10 114.93 120.54 3iqf h MET 145 Ca 0.26 -0.09 0.03 0.00 -0.28 0.00 0.00 59.70 59.61 3iqf h MET 145 Cb 0.02 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 30.61 3iqf h MET 145 CO -0.04 0.64 0.38 -0.22 0.23 0.00 0.00 176.91 177.90 3iqf h LYS 146 N 0.83 0.72 0.15 0.39 1.63 -1.00 0.06 116.57 119.36 3iqf h LYS 146 Ca 0.22 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 3iqf h LYS 146 Cb 0.03 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 3iqf h LYS 146 CO -0.04 0.48 -0.07 0.28 -3.45 0.00 0.00 179.45 176.65 3iqf h VAL 147 N 0.74 0.85 -0.18 2.00 2.07 -0.68 0.25 116.25 121.31 3iqf h VAL 147 Ca 0.25 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.66 3iqf h VAL 147 Cb 0.03 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3iqf h VAL 147 CO -0.11 0.01 -0.29 -0.07 0.02 0.00 0.00 177.57 177.12 3iqf h LEU 148 N -0.22 0.36 0.31 2.57 3.38 -0.80 -1.95 115.31 118.96 3iqf h LEU 148 Ca -0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3iqf h LEU 148 Cb 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3iqf h LEU 148 CO 0.03 0.65 -0.15 0.00 0.09 0.00 0.00 178.44 179.07 3iqf h ALA 149 N 1.38 -0.41 0.00 1.53 0.00 -0.89 -0.76 119.26 120.11 3iqf h ALA 149 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3iqf h ALA 149 Cb 0.68 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3iqf h ALA 149 CO 0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 179.25 178.82 3iqf h ALA 150 N -1.04 1.01 0.00 0.00 0.00 -0.96 -2.00 119.26 116.27 3iqf h ALA 150 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iqf h ALA 150 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3iqf h ALA 150 CO 0.07 0.11 -0.07 0.25 0.00 0.00 0.00 179.25 179.61 3iqf n THR 151 N -3.21 0.37 -0.20 0.00 -2.24 -0.74 -4.75 114.28 103.50 3iqf n THR 151 Ca 0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3iqf n THR 151 Cb 0.37 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 1.38 0.62 0.29 3.38 0.00 -0.75 -4.97 105.19 105.13 3iqf n GLY 152 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 3iqf n GLY 152 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iqf h VAL 153 N 0.00 1.22 0.00 1.61 2.07 -1.56 -1.88 116.25 117.71 3iqf h VAL 153 Ca 0.00 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3iqf h VAL 153 Cb 0.00 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3iqf h VAL 153 CO 0.00 0.26 -0.11 -0.26 0.02 0.00 0.00 177.57 177.48 3iqf h PHE 154 N 0.93 0.00 -0.12 1.57 0.05 -1.43 -1.55 116.94 116.40 3iqf h PHE 154 Ca 0.23 0.00 -0.15 0.00 3.82 0.00 0.00 57.97 61.87 3iqf h PHE 154 Cb 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.05 3iqf h PHE 154 CO 0.00 0.11 -0.58 -0.09 -0.18 0.00 0.00 178.31 177.57 3iqf h ARG 155 N 0.00 0.38 -0.70 1.51 2.43 -1.63 0.16 114.38 116.53 3iqf h ARG 155 Ca -0.00 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3iqf h ARG 155 Cb 0.21 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3iqf h ARG 155 CO 0.01 0.85 0.43 0.28 -1.51 0.00 0.00 179.97 180.04 3iqf h VAL 156 N 0.29 1.20 -0.17 0.20 2.07 -0.89 0.27 116.25 119.20 3iqf h VAL 156 Ca -0.00 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3iqf h VAL 156 Cb 1.09 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3iqf h VAL 156 CO 0.10 0.20 -0.08 0.58 0.02 0.00 0.00 177.57 178.39 3iqf h VAL 157 N 0.95 1.31 -0.43 2.57 2.07 -1.23 -1.99 116.25 119.50 3iqf h VAL 157 Ca 0.25 -1.13 0.09 0.00 0.82 0.00 0.00 66.70 66.73 3iqf h VAL 157 Cb -0.05 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3iqf h VAL 157 CO -0.05 0.34 -0.10 -0.61 0.02 0.00 0.00 177.57 177.16 3iqf h GLN 158 N 0.04 0.00 -0.58 1.57 4.15 -0.84 -2.19 115.11 117.26 3iqf h GLN 158 Ca 0.04 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 3iqf h GLN 158 Cb 0.56 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 3iqf h GLN 158 CO 0.02 0.00 0.16 0.93 -1.93 0.00 0.00 178.83 178.02 3iqf h GLU 159 N 0.00 0.89 -0.31 1.69 5.08 -0.81 -0.45 114.58 120.67 3iqf h GLU 159 Ca 0.21 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3iqf h GLU 159 Cb 0.31 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3iqf h GLU 159 CO -0.44 0.79 -0.02 0.00 -1.00 0.00 0.00 179.01 178.34 3iqf h ALA 160 N 1.31 0.41 -0.20 3.43 0.00 -0.98 -1.48 119.26 121.75 3iqf h ALA 160 Ca 0.19 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3iqf h ALA 160 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3iqf h ALA 160 CO -0.00 0.19 -0.46 0.74 0.00 0.00 0.00 179.25 179.71 3iqf h PHE 161 N 0.34 0.62 -0.39 0.00 -1.00 -1.29 -2.47 116.94 112.76 3iqf h PHE 161 Ca 0.08 -0.19 -0.07 0.00 2.81 0.00 0.00 57.97 60.60 3iqf h PHE 161 Cb 0.47 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3iqf h PHE 161 CO 0.04 0.88 -0.07 -0.44 -1.61 0.00 0.00 178.31 177.11 3iqf h ASP 162 N 0.41 0.63 -0.23 2.17 3.45 -0.90 0.14 116.42 122.09 3iqf h ASP 162 Ca 0.03 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.32 3iqf h ASP 162 Cb 0.96 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 3iqf h ASP 162 CO 0.09 0.75 0.13 -0.33 -1.57 0.00 0.00 179.24 178.30 3iqf h GLU 163 N 0.61 0.32 -0.78 3.56 5.08 -1.19 -1.81 114.58 120.36 3iqf h GLU 163 Ca 0.11 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3iqf h GLU 163 Cb 0.49 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3iqf h GLU 163 CO 0.03 0.28 0.42 1.25 -1.00 0.00 0.00 179.01 179.98 3iqf h LEU 164 N 0.27 0.99 -0.72 1.33 5.85 -1.02 -2.14 115.31 119.88 3iqf h LEU 164 Ca 0.08 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3iqf h LEU 164 Cb 0.05 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3iqf h LEU 164 CO -0.01 0.81 0.33 0.40 -0.34 0.00 0.00 178.44 179.63 3iqf h ILE 165 N 1.09 1.24 -0.62 4.05 2.04 -0.62 -0.35 117.51 124.35 3iqf h ILE 165 Ca 0.27 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.46 3iqf h ILE 165 Cb 0.05 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 3iqf h ILE 165 CO -0.04 0.29 0.39 -0.33 0.00 0.00 0.00 178.15 178.45 3iqf h GLU 166 N 1.01 0.75 -0.83 2.37 4.39 -0.94 -1.62 114.58 119.70 3iqf h GLU 166 Ca 0.24 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 3iqf h GLU 166 Cb 0.15 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 3iqf h GLU 166 CO -0.03 0.50 0.46 0.87 -1.16 0.00 0.00 179.01 179.65 3iqf h LYS 167 N 0.77 1.16 -0.49 2.33 1.79 -1.05 -2.31 116.57 118.77 3iqf h LYS 167 Ca 0.24 -0.13 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 3iqf h LYS 167 Cb -0.01 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.39 3iqf h LYS 167 CO -0.09 0.85 0.32 0.00 -1.08 0.00 0.00 179.45 179.45 3iqf h ALA 168 N 1.25 1.76 0.00 3.86 0.00 -0.43 -1.95 119.26 123.73 3iqf h ALA 168 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3iqf h ALA 168 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3iqf h ALA 168 CO -0.05 0.19 0.00 1.63 0.00 0.00 0.00 179.25 181.03 3iqf n LYS 169 N -4.47 0.01 -1.98 0.00 5.02 -0.67 -0.35 118.16 115.71 3iqf n LYS 169 Ca 0.05 0.17 -0.29 0.00 -2.02 0.00 0.00 58.31 56.22 3iqf n LYS 169 Cb 0.13 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.67 3iqf n LYS 169 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3iqf n GLU 170 N -1.49 3.29 0.00 1.97 0.00 -0.74 -4.84 120.64 118.83 3iqf n GLU 170 Ca 0.05 -4.00 0.00 0.00 0.00 0.00 0.00 57.16 53.20 3iqf n GLU 170 Cb 0.22 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.39 3iqf n GLU 170 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3iqf n ASP 171 N -0.68 0.00 0.15 -1.84 4.64 0.52 -4.73 116.55 114.62 3iqf n ASP 171 Ca 0.48 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 54.01 3iqf n ASP 171 Cb 0.75 0.00 0.28 0.00 -1.04 0.00 0.00 41.12 41.11 3iqf n ASP 171 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3iqf h GLU 172 N 0.00 0.00 -6.04 -0.67 3.07 -1.83 -3.49 114.58 105.62 3iqf h GLU 172 Ca 0.00 0.00 -0.83 0.00 -0.50 0.00 0.00 59.36 58.03 3iqf h GLU 172 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3iqf h GLU 172 CO 0.00 0.00 0.81 -0.89 -1.40 0.00 0.00 179.01 177.53 3iqf n ILE 173 N -2.64 0.09 -3.15 3.13 5.41 -1.26 -4.90 119.36 116.04 3iqf n ILE 173 Ca 0.05 -0.02 -0.18 0.00 1.00 0.00 0.00 62.75 63.59 3iqf n ILE 173 Cb 0.48 -0.72 0.01 0.00 -0.71 0.00 0.00 39.64 38.69 3iqf n ILE 173 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3iqf s SER 174 N 3.47 5.75 0.31 4.38 1.04 -1.26 -4.93 113.70 122.46 3iqf s SER 174 Ca 1.04 -0.27 0.06 0.00 0.48 0.00 0.00 55.95 57.27 3iqf s SER 174 Cb -1.37 -0.93 0.74 0.00 0.10 0.00 0.00 66.02 64.56 3iqf s SER 174 CO 0.76 -0.67 1.79 -0.33 0.98 0.00 0.00 173.24 175.77 3iqf h GLU 175 N 0.68 0.75 0.00 4.02 5.08 -1.91 -0.55 114.58 122.65 3iqf h GLU 175 Ca -0.43 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 3iqf h GLU 175 Cb 1.27 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3iqf h GLU 175 CO 0.49 0.49 -0.03 -0.91 -1.00 0.00 0.00 179.01 178.05 3iqf h ASN 176 N 0.77 0.00 1.12 1.42 2.35 -1.97 -1.99 115.58 117.28 3iqf h ASN 176 Ca 0.57 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.32 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 -0.36 0.03 -0.37 0.47 -1.65 0.00 0.00 177.43 175.56 3iqf n ASP 177 N -3.61 0.75 -4.74 5.81 10.43 -0.22 -4.90 116.55 120.07 3iqf n ASP 177 Ca -0.03 0.31 -0.41 0.00 2.57 0.00 0.00 54.79 57.23 3iqf n ASP 177 Cb 0.13 -0.24 -0.03 0.00 1.84 0.00 0.00 41.12 42.81 3iqf n ASP 177 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iqf s LEU 178 N -4.36 4.46 0.55 0.64 1.43 -0.75 -4.81 118.68 115.84 3iqf s LEU 178 Ca 0.08 2.25 -0.21 0.00 -1.03 0.00 0.00 54.13 55.22 3iqf s LEU 178 Cb 0.13 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 3iqf s LEU 178 CO 0.67 -0.36 1.33 -2.84 0.23 0.00 0.00 176.35 175.39 3iqf s PRO 179 N -0.40 3.14 -0.45 1.29 0.02 -1.26 -4.85 135.00 132.48 3iqf s PRO 179 Ca 0.52 2.18 0.04 0.00 0.02 0.00 0.00 61.00 63.76 3iqf s PRO 179 Cb -0.33 -2.23 0.17 0.00 0.02 0.00 0.00 34.50 32.14 3iqf s PRO 179 CO 0.38 -1.17 0.37 1.63 -0.33 0.00 0.00 177.00 177.87 3iqf n LYS 180 N -1.07 0.42 -5.09 5.54 4.76 -1.22 -0.42 118.16 121.08 3iqf n LYS 180 Ca 0.11 -3.35 -0.32 0.00 -2.87 0.00 0.00 58.31 51.87 3iqf n LYS 180 Cb 0.46 -1.74 -0.15 0.00 -1.84 0.00 0.00 35.03 31.76 3iqf n LYS 180 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3iqf s LEU 181 N -0.18 2.40 -0.16 -0.35 1.43 -0.10 -4.98 118.68 116.74 3iqf s LEU 181 Ca 0.32 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3iqf s LEU 181 Cb 0.03 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.83 3iqf s LEU 181 CO -0.19 0.32 -0.12 -0.69 0.23 0.00 0.00 176.35 175.90 3iqf s VAL 182 N -0.59 1.53 -0.17 -1.59 1.01 -1.26 -0.85 120.40 118.49 3iqf s VAL 182 Ca 0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3iqf s VAL 182 Cb -0.11 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3iqf s VAL 182 CO 0.00 0.34 -0.04 -0.63 0.00 0.00 0.00 175.10 174.77 3iqf s ILE 183 N 1.48 3.81 0.00 2.22 1.01 0.22 -4.94 121.20 125.00 3iqf s ILE 183 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3iqf s ILE 183 Cb -0.14 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3iqf s ILE 183 CO -0.10 0.48 0.00 -0.90 0.00 0.00 0.00 174.94 174.42 3iqf n ASP 184 N 3.73 0.00 -0.25 3.58 5.68 -1.26 -1.02 116.55 127.02 3iqf n ASP 184 Ca -0.17 -0.95 0.04 0.00 -0.50 0.00 0.00 54.79 53.20 3iqf n ASP 184 Cb 0.52 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.64 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 0.09 0.00 0.11 2.43 -1.88 -1.11 114.38 114.02 3iqf h ARG 185 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3iqf h ARG 185 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3iqf h ARG 185 CO 0.00 0.06 0.00 0.09 -1.51 0.00 0.00 179.97 178.61 3iqf n ASN 186 N -5.35 0.62 -0.22 -3.80 3.02 -1.26 -2.55 115.26 105.72 3iqf n ASN 186 Ca 0.12 0.64 0.14 0.00 -0.03 0.00 0.00 54.58 55.45 3iqf n ASN 186 Cb 0.44 -0.77 0.45 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.80 0.00 3.41 2.02 -1.56 -1.84 112.91 115.74 3iqf h THR 187 Ca 0.00 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3iqf h THR 187 Cb 0.40 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3iqf h THR 187 CO 0.00 0.10 -0.09 -0.07 0.37 0.00 0.00 175.52 175.82 3iqf h LEU 188 N 0.53 0.00 -1.75 2.58 3.38 -1.66 -2.21 115.31 116.18 3iqf h LEU 188 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3iqf h LEU 188 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3iqf h LEU 188 CO -0.16 0.09 0.00 -0.07 0.09 0.00 0.00 178.44 178.39 3iqf h LEU 189 N 0.00 0.00 -2.54 1.67 3.38 -1.54 -2.47 115.31 113.81 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 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 3iqf n GLU 190 N -3.04 2.60 -4.48 1.13 1.02 -0.83 -4.98 120.64 112.06 3iqf n GLU 190 Ca -0.00 -2.44 -0.28 0.00 -0.02 0.00 0.00 57.16 54.42 3iqf n GLU 190 Cb 0.25 -1.52 -0.09 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.23 2.09 -0.35 3.49 0.52 -0.93 -5.05 118.95 117.48 3iqf s ARG 191 Ca 0.42 -2.10 0.10 0.00 -0.52 0.00 0.00 55.73 53.63 3iqf s ARG 191 Cb 0.23 -1.73 0.45 0.00 0.52 0.00 0.00 34.95 34.42 3iqf s ARG 191 CO 0.31 -0.16 1.11 0.39 0.02 0.00 0.00 175.30 176.98 3iqf n GLU 192 N -1.15 2.98 -0.12 3.54 1.02 -1.26 -4.87 120.64 120.79 3iqf n GLU 192 Ca -0.07 -4.11 -0.10 0.00 -0.02 0.00 0.00 57.16 52.87 3iqf n GLU 192 Cb 0.66 -2.05 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 3iqf n GLU 192 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3iqf h GLU 193 N 2.51 0.58 -5.18 3.49 4.57 -1.97 -3.43 114.58 115.14 3iqf h GLU 193 Ca 0.22 -0.15 -0.64 0.00 -1.18 0.00 0.00 59.36 57.61 3iqf h GLU 193 Cb 1.20 -0.07 -0.23 0.00 -0.16 0.00 0.00 28.75 29.50 3iqf h GLU 193 CO 0.69 0.64 -0.66 -0.06 -1.18 0.00 0.00 179.01 178.44 3iqf s PHE 194 N -5.23 3.03 0.19 0.92 0.08 -1.26 -4.61 117.98 111.10 3iqf s PHE 194 Ca -0.13 -0.41 -0.07 0.00 0.12 0.00 0.00 56.93 56.44 3iqf s PHE 194 Cb 0.09 -2.04 0.12 0.00 -0.57 0.00 0.00 43.02 40.62 3iqf s PHE 194 CO 0.76 -0.18 1.61 1.49 -0.10 0.00 0.00 175.22 178.80 3iqf h GLU 195 N 7.23 0.89 -5.47 0.44 4.22 -1.84 -3.44 114.58 116.62 3iqf h GLU 195 Ca -0.34 -0.35 -0.59 0.00 0.08 0.00 0.00 59.36 58.15 3iqf h GLU 195 Cb 1.18 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.28 3iqf h GLU 195 CO 0.62 1.00 -0.31 1.21 -2.18 0.00 0.00 179.01 179.35 3iqf s ASN 196 N -6.72 6.43 0.42 1.04 2.47 -1.26 -4.98 114.94 112.34 3iqf s ASN 196 Ca -0.10 0.50 0.17 0.00 0.42 0.00 0.00 52.86 53.85 3iqf s ASN 196 Cb 0.13 -2.19 0.93 0.00 -1.45 0.00 0.00 41.25 38.67 3iqf s ASN 196 CO 0.85 0.06 1.90 1.55 -3.72 0.00 0.00 177.10 177.75 3iqf h PRO 197 N 6.84 0.00 -0.02 0.43 0.13 -2.00 -2.45 132.00 134.92 3iqf h PRO 197 Ca -0.40 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.57 3iqf h PRO 197 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3iqf h PRO 197 CO 0.75 0.28 -0.73 1.88 -0.23 0.00 0.00 178.00 179.95 3iqf h TYR 198 N 0.00 0.17 -0.67 1.56 0.05 -1.98 -1.54 116.97 114.56 3iqf h TYR 198 Ca -0.00 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 3iqf h TYR 198 Cb 0.55 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 3iqf h TYR 198 CO 0.00 0.80 0.32 0.00 -1.05 0.00 0.00 178.16 178.23 3iqf h ALA 199 N 1.17 0.86 -0.25 3.88 0.00 -1.75 -0.36 119.26 122.81 3iqf h ALA 199 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3iqf h ALA 199 Cb 1.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3iqf h ALA 199 CO 0.10 0.43 0.14 1.98 0.00 0.00 0.00 179.25 181.90 3iqf h MET 200 N 0.93 0.35 -0.03 0.00 1.85 -1.20 -0.62 114.93 116.20 3iqf h MET 200 Ca 0.23 -0.04 -0.11 0.00 -0.61 0.00 0.00 59.70 59.17 3iqf h MET 200 Cb 0.12 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.07 3iqf h MET 200 CO -0.03 0.32 -0.49 -0.39 -0.40 0.00 0.00 176.91 175.92 3iqf h VAL 201 N 0.29 1.35 -0.39 -5.77 -1.51 -1.08 0.18 116.25 109.32 3iqf h VAL 201 Ca 0.09 -1.70 -0.05 0.00 -1.23 0.00 0.00 66.70 63.80 3iqf h VAL 201 Cb 0.07 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 3iqf h VAL 201 CO -0.01 0.49 0.04 0.11 -1.23 0.00 0.00 177.57 176.97 3iqf h LYS 202 N 0.07 0.66 -0.84 5.19 1.57 -0.95 -1.57 116.57 120.71 3iqf h LYS 202 Ca 0.00 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3iqf h LYS 202 Cb 0.90 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 3iqf h LYS 202 CO 0.07 0.73 0.52 0.00 -0.57 0.00 0.00 179.45 180.20 3iqf h ALA 203 N 0.91 1.07 -0.53 3.86 0.00 -0.72 -0.21 119.26 123.63 3iqf h ALA 203 Ca 0.12 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iqf h ALA 203 Cb 0.40 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3iqf h ALA 203 CO 0.01 0.51 0.34 0.52 0.00 0.00 0.00 179.25 180.64 3iqf h MET 204 N 1.15 0.67 -0.64 0.00 2.86 -0.87 -1.64 114.93 116.45 3iqf h MET 204 Ca 0.30 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.92 3iqf h MET 204 Cb -0.07 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.40 3iqf h MET 204 CO -0.06 0.44 0.41 0.00 1.06 0.00 0.00 176.91 178.76 3iqf h ALA 205 N 1.21 0.83 -0.52 6.32 0.00 -1.01 0.77 119.26 126.85 3iqf h ALA 205 Ca 0.20 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3iqf h ALA 205 Cb -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3iqf h ALA 205 CO -0.06 0.18 0.31 0.00 0.00 0.00 0.00 179.25 179.67 3iqf h ALA 206 N 1.27 0.67 -0.05 0.00 0.00 -0.72 -0.61 119.26 119.82 3iqf h ALA 206 Ca 0.25 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3iqf h ALA 206 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iqf h ALA 206 CO -0.09 0.00 -0.51 -0.07 0.00 0.00 0.00 179.25 178.58 3iqf h LEU 207 N 0.60 0.16 -0.15 0.00 3.38 -0.77 -0.89 115.31 117.65 3iqf h LEU 207 Ca 0.22 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3iqf h LEU 207 Cb 0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3iqf h LEU 207 CO -0.11 0.64 -0.04 -0.08 0.09 0.00 0.00 178.44 178.94 3iqf h GLU 208 N 0.12 0.29 -0.46 1.13 4.57 -0.58 -1.33 114.58 118.32 3iqf h GLU 208 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3iqf h GLU 208 Cb 0.94 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3iqf h GLU 208 CO 0.07 0.58 0.29 0.82 -1.18 0.00 0.00 179.01 179.59 3iqf h ILE 209 N -0.02 1.13 -0.70 2.32 2.04 -0.97 0.85 117.51 122.17 3iqf h ILE 209 Ca 0.04 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3iqf h ILE 209 Cb 0.47 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3iqf h ILE 209 CO 0.02 0.13 0.37 0.00 0.00 0.00 0.00 178.15 178.66 3iqf h ALA 210 N 1.15 0.89 -0.80 1.87 0.00 -1.14 -0.15 119.26 121.08 3iqf h ALA 210 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iqf h ALA 210 Cb -0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3iqf h ALA 210 CO -0.03 0.42 0.48 1.49 0.00 0.00 0.00 179.25 181.60 3iqf h GLU 211 N 0.96 1.10 0.00 0.00 4.81 -0.95 -2.53 114.58 117.97 3iqf h GLU 211 Ca 0.24 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3iqf h GLU 211 Cb 0.06 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3iqf h GLU 211 CO -0.04 0.78 -0.22 -0.91 -0.73 0.00 0.00 179.01 177.89 3iqf h ASN 212 N 1.10 0.00 -0.97 1.04 2.35 0.13 -2.82 115.58 116.41 3iqf h ASN 212 Ca 0.29 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.18 3iqf h ASN 212 Cb -0.03 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.26 3iqf h ASN 212 CO -0.05 0.22 0.61 0.58 -1.65 0.00 0.00 177.43 177.14 3iqf h VAL 213 N 0.00 0.84 -0.67 2.81 2.07 -0.60 -2.77 116.25 117.94 3iqf h VAL 213 Ca -0.00 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3iqf h VAL 213 Cb 0.47 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 3iqf h VAL 213 CO 0.03 0.15 0.40 0.00 0.02 0.00 0.00 177.57 178.17 3iqf h ALA 214 N 1.58 0.88 -0.55 1.67 0.00 -1.59 -0.23 119.26 121.02 3iqf h ALA 214 Ca 0.50 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.34 3iqf h ALA 214 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3iqf h ALA 214 CO -0.27 0.13 0.09 -0.44 0.00 0.00 0.00 179.25 178.76 3iqf h ASP 215 N 0.77 0.83 -0.14 0.00 3.45 -1.66 0.55 116.42 120.21 3iqf h ASP 215 Ca 0.28 -0.17 -0.03 0.00 0.43 0.00 0.00 57.03 57.54 3iqf h ASP 215 Cb 0.08 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.63 3iqf h ASP 215 CO -0.13 0.84 -0.03 0.58 -1.57 0.00 0.00 179.24 178.92 3iqf h VAL 216 N 0.83 1.29 -0.64 -1.35 2.07 -1.24 -1.59 116.25 115.62 3iqf h VAL 216 Ca 0.17 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3iqf h VAL 216 Cb 0.37 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 3iqf h VAL 216 CO 0.01 0.28 0.37 0.28 0.02 0.00 0.00 177.57 178.53 3iqf h SER 217 N -0.03 0.57 -0.51 0.57 0.02 -0.80 -0.32 113.55 113.06 3iqf h SER 217 Ca 0.04 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3iqf h SER 217 Cb 0.45 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3iqf h SER 217 CO 0.01 0.38 0.19 0.58 -1.14 0.00 0.00 176.83 176.85 3iqf h VAL 218 N 0.70 1.22 -0.35 2.27 2.07 -0.85 0.23 116.25 121.54 3iqf h VAL 218 Ca 0.28 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3iqf h VAL 218 Cb 0.12 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3iqf h VAL 218 CO -0.15 0.26 0.21 -0.08 0.02 0.00 0.00 177.57 177.83 3iqf h GLU 219 N 0.68 0.42 0.00 1.57 4.81 -0.89 0.14 114.58 121.31 3iqf h GLU 219 Ca 0.17 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 3iqf h GLU 219 Cb 0.22 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3iqf h GLU 219 CO -0.01 0.28 -0.56 0.78 -0.73 0.00 0.00 179.01 178.77 3iqf h GLY 220 N 0.44 0.00 0.74 1.92 0.00 -0.51 0.50 103.07 106.16 3iqf h GLY 220 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.14 3iqf h GLY 220 CO -0.05 0.00 -1.89 0.00 0.00 0.00 0.00 176.54 174.60 3iqf n PHE 222 N -3.12 0.00 -0.01 0.00 3.72 0.02 -4.90 117.46 113.18 3iqf n PHE 222 Ca -0.23 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.13 3iqf n PHE 222 Cb 1.06 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.59 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 -1.21 1.27 -2.18 -4.37 0.31 -0.90 -4.98 118.33 106.26 3iqf n VAL 223 Ca 0.00 0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 64.18 3iqf n VAL 223 Cb 0.00 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.05 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 0.12 -4.91 118.70 124.03 3iqf s GLU 224 Ca -0.11 2.06 0.10 0.00 0.00 0.00 0.00 54.97 57.02 3iqf s GLU 224 Cb 0.02 -3.25 -0.12 0.00 2.00 0.00 0.00 34.13 32.78 3iqf s GLU 224 CO 0.16 -0.42 0.35 1.04 -0.56 0.00 0.00 175.26 175.83 3iqf n GLN 225 N 3.89 2.76 -3.23 4.30 1.13 -1.26 -4.75 117.38 120.22 3iqf n GLN 225 Ca 0.11 -0.03 -0.40 0.00 -1.94 0.00 0.00 57.00 54.74 3iqf n GLN 225 Cb 0.42 -1.04 -0.08 0.00 0.11 0.00 0.00 30.24 29.66 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 -2.28 6.39 0.50 1.08 3.68 -1.26 -4.96 116.67 119.82 3iqf s ASP 226 Ca 0.01 0.32 0.22 0.00 2.13 0.00 0.00 52.55 55.23 3iqf s ASP 226 Cb 0.07 -2.28 1.31 0.00 -1.45 0.00 0.00 42.92 40.57 3iqf s ASP 226 CO 0.40 -0.37 2.06 0.07 0.13 0.00 0.00 175.17 177.46 3iqf h LYS 227 N 8.20 0.00 0.00 4.34 2.10 -1.97 0.35 116.57 129.59 3iqf h LYS 227 Ca -0.28 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3iqf h LYS 227 Cb 1.13 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3iqf h LYS 227 CO 0.74 0.13 -0.01 0.93 -2.00 0.00 0.00 179.45 179.24 3iqf h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -2.54 114.58 115.18 3iqf h GLU 228 Ca -0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 3iqf h GLU 228 Cb 0.28 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 3iqf h GLU 228 CO 0.02 0.01 -2.51 0.54 -1.00 0.00 0.00 179.01 176.07 3iqf n ARG 229 N -3.12 0.61 0.16 2.33 1.74 0.55 -4.57 116.66 114.36 3iqf n ARG 229 Ca -0.01 0.21 0.01 0.00 -0.77 0.00 0.00 57.85 57.29 3iqf n ARG 229 Cb 0.21 -1.49 0.29 0.00 -1.02 0.00 0.00 32.46 30.45 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 -0.58 0.04 0.13 -1.55 -0.00 -0.45 -1.79 116.97 112.78 3iqf h TYR 230 Ca -0.65 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.06 3iqf h TYR 230 Cb 1.73 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 38.45 3iqf h TYR 230 CO -0.04 0.47 -0.06 0.28 -0.00 0.00 0.00 178.16 178.81 3iqf h VAL 231 N 0.03 1.02 -0.92 -0.90 2.07 -1.70 -0.83 116.25 115.02 3iqf h VAL 231 Ca -0.00 -0.72 0.14 0.00 0.82 0.00 0.00 66.70 66.94 3iqf h VAL 231 Cb 0.79 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.93 3iqf h VAL 231 CO 0.06 0.17 0.53 -0.65 0.02 0.00 0.00 177.57 177.70 3iqf h PRO 232 N -0.53 0.76 0.16 1.57 0.11 -1.79 -1.22 132.00 131.06 3iqf h PRO 232 Ca -0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3iqf h PRO 232 Cb 0.42 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3iqf h PRO 232 CO 0.03 0.50 -0.07 0.82 -0.21 0.00 0.00 178.00 179.07 3iqf h ILE 233 N 0.78 0.88 -0.46 4.15 2.04 -1.00 0.86 117.51 124.78 3iqf h ILE 233 Ca 0.49 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 66.13 3iqf h ILE 233 Cb 0.61 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3iqf h ILE 233 CO -0.32 0.04 0.05 -0.37 0.00 0.00 0.00 178.15 177.54 3iqf h VAL 234 N -0.28 1.22 -0.37 1.67 -1.51 -0.93 -2.34 116.25 113.70 3iqf h VAL 234 Ca -0.02 -0.87 -0.08 0.00 -1.23 0.00 0.00 66.70 64.50 3iqf h VAL 234 Cb 0.22 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 30.19 3iqf h VAL 234 CO 0.03 0.31 -0.08 0.00 -1.23 0.00 0.00 177.57 176.60 3iqf h ALA 235 N 1.36 1.16 -0.23 5.19 0.00 -0.97 -2.21 119.26 123.56 3iqf h ALA 235 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3iqf h ALA 235 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3iqf h ALA 235 CO 0.01 0.54 0.01 0.66 0.00 0.00 0.00 179.25 180.47 3iqf h SER 236 N 0.59 0.30 -0.71 0.00 4.64 -0.30 -1.60 113.55 116.46 3iqf h SER 236 Ca 0.11 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 3iqf h SER 236 Cb 0.50 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 3iqf h SER 236 CO 0.03 0.35 0.18 0.00 -0.87 0.00 0.00 176.83 176.52 3iqf h ALA 237 N 1.69 0.94 -0.16 5.18 0.00 -1.06 -1.50 119.26 124.34 3iqf h ALA 237 Ca 0.08 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3iqf h ALA 237 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iqf h ALA 237 CO 0.00 0.65 -0.50 0.45 0.00 0.00 0.00 179.25 179.85 3iqf h HIS 238 N 1.07 0.55 -0.87 0.00 3.86 -1.25 -2.08 115.15 116.43 3iqf h HIS 238 Ca 0.23 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3iqf h HIS 238 Cb 0.36 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.68 3iqf h HIS 238 CO 0.03 0.86 0.47 0.93 0.86 0.00 0.00 177.93 181.08 3iqf h GLU 239 N 0.35 1.21 -0.35 2.45 4.39 -1.01 -1.81 114.58 119.82 3iqf h GLU 239 Ca 0.01 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.61 3iqf h GLU 239 Cb 1.01 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 3iqf h GLU 239 CO 0.09 0.89 0.13 0.52 -1.16 0.00 0.00 179.01 179.48 3iqf h MET 240 N 1.21 0.27 -0.85 2.33 2.86 -0.97 -2.46 114.93 117.32 3iqf h MET 240 Ca 0.30 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.89 3iqf h MET 240 Cb 0.04 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3iqf h MET 240 CO -0.05 0.18 0.40 1.98 1.06 0.00 0.00 176.91 180.48 3iqf h MET 241 N 0.28 1.23 -0.90 1.72 1.85 -1.16 0.10 114.93 118.05 3iqf h MET 241 Ca 0.16 -0.19 0.02 0.00 -0.61 0.00 0.00 59.70 59.08 3iqf h MET 241 Cb 0.12 -0.22 -0.05 0.00 0.43 0.00 0.00 31.60 31.89 3iqf h MET 241 CO -0.15 0.95 0.59 -0.09 -0.40 0.00 0.00 176.91 177.80 3iqf h ARG 242 N 1.21 1.13 -0.09 0.39 2.43 -1.20 -0.65 114.38 117.60 3iqf h ARG 242 Ca 0.29 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.23 3iqf h ARG 242 Cb 0.13 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3iqf h ARG 242 CO -0.03 0.75 -0.64 0.87 -1.51 0.00 0.00 179.97 179.40 3iqf h LYS 243 N 1.16 0.34 -0.90 0.20 1.79 -0.95 -2.52 116.57 115.69 3iqf h LYS 243 Ca 0.35 -0.25 0.02 0.00 -2.18 0.00 0.00 60.65 58.58 3iqf h LYS 243 Cb -0.05 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 3iqf h LYS 243 CO -0.10 0.87 0.59 0.00 -1.08 0.00 0.00 179.45 179.73 3iqf h ALA 244 N 1.07 1.16 -0.88 3.86 0.00 -0.61 -0.89 119.26 122.95 3iqf h ALA 244 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3iqf h ALA 244 Cb 1.18 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3iqf h ALA 244 CO 0.11 0.51 0.58 0.00 0.00 0.00 0.00 179.25 180.45 3iqf h ALA 245 N 1.34 1.12 -0.70 0.00 0.00 -0.93 -1.24 119.26 118.85 3iqf h ALA 245 Ca 0.34 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3iqf h ALA 245 Cb -0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.31 3iqf h ALA 245 CO -0.09 0.53 0.20 0.93 0.00 0.00 0.00 179.25 180.82 3iqf h GLU 246 N 1.20 1.09 -0.60 0.00 5.08 -1.02 -0.16 114.58 120.16 3iqf h GLU 246 Ca 0.32 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3iqf h GLU 246 Cb -0.13 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 28.93 3iqf h GLU 246 CO -0.07 0.95 0.35 -0.07 -1.00 0.00 0.00 179.01 179.17 3iqf h LEU 247 N 1.03 0.74 -0.71 1.33 3.38 -0.75 -0.67 115.31 119.67 3iqf h LEU 247 Ca 0.22 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3iqf h LEU 247 Cb 0.32 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3iqf h LEU 247 CO -0.00 0.60 0.47 0.00 0.09 0.00 0.00 178.44 179.59 3iqf h ALA 248 N 1.17 0.90 -0.70 1.53 0.00 -1.06 -0.76 119.26 120.34 3iqf h ALA 248 Ca 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 248 Cb 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3iqf h ALA 248 CO -0.04 0.33 0.28 0.22 0.00 0.00 0.00 179.25 180.04 3iqf h ASP 249 N 0.96 0.97 -0.68 0.00 3.58 -0.84 -1.72 116.42 118.69 3iqf h ASP 249 Ca 0.26 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3iqf h ASP 249 Cb -0.11 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.66 3iqf h ASP 249 CO -0.06 0.88 0.36 -0.08 -2.88 0.00 0.00 179.24 177.46 3iqf h GLU 250 N 1.00 0.96 -0.21 0.28 4.81 -0.83 -0.74 114.58 119.86 3iqf h GLU 250 Ca 0.23 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3iqf h GLU 250 Cb 0.21 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3iqf h GLU 250 CO -0.02 0.74 0.10 0.00 -0.73 0.00 0.00 179.01 179.10 3iqf h ALA 251 N 1.17 0.25 -0.56 2.92 0.00 -0.92 -1.76 119.26 120.36 3iqf h ALA 251 Ca 0.24 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3iqf h ALA 251 Cb 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3iqf h ALA 251 CO -0.04 -0.31 0.13 -0.09 0.00 0.00 0.00 179.25 178.95 3iqf h ARG 252 N 0.22 0.87 -0.34 0.00 2.43 -0.97 -2.38 114.38 114.22 3iqf h ARG 252 Ca 0.08 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 3iqf h ARG 252 Cb 0.02 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3iqf h ARG 252 CO -0.06 0.78 -0.07 0.93 -1.51 0.00 0.00 179.97 180.04 3iqf h GLU 253 N 0.84 0.57 -0.77 0.20 4.39 -0.93 -1.56 114.58 117.32 3iqf h GLU 253 Ca 0.18 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3iqf h GLU 253 Cb 0.31 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3iqf h GLU 253 CO -0.00 0.64 0.46 -0.07 -1.16 0.00 0.00 179.01 178.88 3iqf h LEU 254 N 0.53 0.92 -0.72 1.33 3.38 -0.86 -0.87 115.31 119.02 3iqf h LEU 254 Ca 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3iqf h LEU 254 Cb 0.45 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3iqf h LEU 254 CO 0.02 0.72 0.42 -0.33 0.09 0.00 0.00 178.44 179.36 3iqf h GLU 255 N 1.05 0.99 -0.97 1.13 4.39 -0.91 -2.27 114.58 118.00 3iqf h GLU 255 Ca 0.27 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.90 3iqf h GLU 255 Cb -0.03 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 28.36 3iqf h GLU 255 CO -0.05 0.72 0.63 0.87 -1.16 0.00 0.00 179.01 180.02 3iqf h LYS 256 N 0.99 1.20 0.00 2.33 1.57 -0.99 -1.25 116.57 120.42 3iqf h LYS 256 Ca 0.26 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3iqf h LYS 256 Cb 0.00 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 3iqf h LYS 256 CO -0.04 0.80 -0.08 0.66 -0.57 0.00 0.00 179.45 180.21 3iqf h SER 257 N 1.24 0.00 -0.50 0.86 4.64 -0.57 -1.24 113.55 117.98 3iqf h SER 257 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3iqf h SER 257 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3iqf h SER 257 CO -0.11 0.08 0.00 0.59 -0.87 0.00 0.00 176.83 176.52 3iqf n ASN 258 N -3.55 3.50 -3.86 4.97 5.03 -0.92 -4.97 115.26 115.45 3iqf n ASN 258 Ca -0.02 -1.97 -0.30 0.00 0.87 0.00 0.00 54.58 53.16 3iqf n ASN 258 Cb 0.20 -0.33 0.01 0.00 -1.02 0.00 0.00 39.78 38.64 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 1.35 -2.77 -1.11 6.41 2.03 -0.47 -4.89 116.55 117.10 3iqf n ASP 259 Ca 0.19 -1.05 0.03 0.00 0.52 0.00 0.00 54.79 54.48 3iqf n ASP 259 Cb 0.57 -3.00 0.02 0.00 -0.72 0.00 0.00 41.12 37.98 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 -4.39 2.25 -2.08 -1.67 0.00 -0.54 -4.03 120.51 110.05 3iqf n ALA 260 Ca -0.20 -1.89 -0.43 0.00 0.00 0.00 0.00 53.44 50.93 3iqf n ALA 260 Cb 0.63 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.09 3.65 0.12 0.00 1.01 -1.11 -4.62 120.40 119.36 3iqf s VAL 261 Ca 0.22 0.73 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 3iqf s VAL 261 Cb 0.25 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 3iqf s VAL 261 CO -0.11 -0.26 1.50 -0.22 0.00 0.00 0.00 175.10 176.02 3iqf s LEU 262 N 5.22 4.37 -0.07 3.92 2.96 -1.26 -4.25 118.68 129.56 3iqf s LEU 262 Ca 0.73 2.45 0.02 0.00 -0.22 0.00 0.00 54.13 57.11 3iqf s LEU 262 Cb -0.26 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.86 3iqf s LEU 262 CO 0.30 -0.76 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.31 3iqf s ARG 263 N 1.46 1.75 -0.58 1.98 0.52 -0.30 -5.01 118.95 118.78 3iqf s ARG 263 Ca 0.68 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 55.53 3iqf s ARG 263 Cb -0.40 -1.48 0.23 0.00 0.52 0.00 0.00 34.95 33.83 3iqf s ARG 263 CO 0.31 -0.00 0.64 0.25 0.02 0.00 0.00 175.30 176.51 3iqf n THR 264 N 3.93 1.35 -1.71 0.02 -2.24 -1.26 -1.36 114.28 113.00 3iqf n THR 264 Ca -0.22 -4.79 -0.31 0.00 -2.27 0.00 0.00 64.05 56.46 3iqf n THR 264 Cb 0.52 -2.05 0.03 0.00 -2.10 0.00 0.00 70.33 66.72 3iqf n THR 264 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iqf s PRO 265 N -1.89 3.19 0.14 -0.78 0.04 -1.24 -4.64 135.00 129.82 3iqf s PRO 265 Ca 0.36 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.09 3iqf s PRO 265 Cb 0.12 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 3iqf s PRO 265 CO -0.07 -0.90 0.70 -1.01 0.04 0.00 0.00 177.00 175.76 3iqf s HIS 266 N -3.03 3.83 0.74 0.56 3.76 -1.26 -0.28 115.29 119.60 3iqf s HIS 266 Ca 0.58 1.47 -0.12 0.00 -0.15 0.00 0.00 55.06 56.84 3iqf s HIS 266 Cb -0.13 -2.65 0.03 0.00 1.11 0.00 0.00 32.58 30.94 3iqf s HIS 266 CO 0.53 0.51 1.11 0.00 -0.85 0.00 0.00 174.74 176.03 3iqf s ALA 267 N -1.20 2.75 0.54 -1.40 0.00 0.62 -4.93 121.76 118.14 3iqf s ALA 267 Ca 0.35 -0.36 0.23 0.00 0.00 0.00 0.00 51.96 52.18 3iqf s ALA 267 Cb -0.21 -3.03 1.40 0.00 0.00 0.00 0.00 23.12 21.28 3iqf s ALA 267 CO 0.23 -1.31 2.07 -1.35 0.00 0.00 0.00 175.76 175.39 3iqf h PRO 268 N -0.78 0.00 -0.22 0.00 0.11 -1.89 0.90 132.00 130.11 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 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 -4.33 1.52 0.00 -2.05 5.75 -1.26 -0.56 116.55 115.63 3iqf n ASP 269 Ca 0.04 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 3iqf n ASP 269 Cb 0.39 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 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 1.04 2.74 3.67 6.12 0.00 0.31 -4.76 105.19 114.31 3iqf n GLY 270 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 2.01 -3.14 1.61 4.81 -1.26 -4.59 118.16 115.60 3iqf n LYS 271 Ca 0.00 0.71 -0.41 0.00 -0.87 0.00 0.00 58.31 57.74 3iqf n LYS 271 Cb 0.00 -2.31 -0.07 0.00 0.02 0.00 0.00 35.03 32.67 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 -0.55 4.98 0.63 3.15 1.01 -1.26 -0.27 120.40 128.09 3iqf s VAL 272 Ca 0.62 0.95 0.02 0.00 0.00 0.00 0.00 61.98 63.57 3iqf s VAL 272 Cb -0.62 -3.94 0.09 0.00 0.00 0.00 0.00 36.38 31.90 3iqf s VAL 272 CO 0.55 -0.04 0.87 -0.76 0.00 0.00 0.00 175.10 175.73 3iqf s LEU 273 N 2.50 3.12 0.01 3.92 1.43 0.61 -4.98 118.68 125.30 3iqf s LEU 273 Ca 0.24 -0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 3iqf s LEU 273 Cb -0.15 -2.22 0.05 0.00 0.03 0.00 0.00 46.19 43.90 3iqf s LEU 273 CO 0.10 -1.50 0.48 -0.94 0.23 0.00 0.00 176.35 174.72 3iqf s SER 274 N -4.61 -0.40 0.19 2.29 1.04 -1.26 -3.62 113.70 107.33 3iqf s SER 274 Ca 0.62 0.25 -0.20 0.00 0.48 0.00 0.00 55.95 57.11 3iqf s SER 274 Cb -0.07 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.53 3iqf s SER 274 CO 0.41 -0.61 0.57 -1.59 0.98 0.00 0.00 173.24 173.00 3iqf s LYS 275 N -1.85 1.38 0.00 4.02 -2.85 -0.46 -1.59 119.74 118.40 3iqf s LYS 275 Ca -0.09 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 3iqf s LYS 275 Cb -0.02 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.31 3iqf s LYS 275 CO 0.03 -0.60 0.00 0.54 0.10 0.00 0.00 175.35 175.42 3iqf n ARG 276 N -0.36 0.00 -2.83 1.78 5.12 -1.26 -1.15 116.66 117.96 3iqf n ARG 276 Ca -0.12 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 -1.78 4.69 0.22 5.56 1.02 -1.26 -2.77 119.74 125.43 3iqf s LYS 277 Ca 0.00 1.34 -0.07 0.00 0.02 0.00 0.00 55.97 57.25 3iqf s LYS 277 Cb 0.00 -3.32 0.36 0.00 -0.52 0.00 0.00 37.83 34.36 3iqf s LYS 277 CO 0.00 0.41 1.71 0.35 -0.92 0.00 0.00 175.35 176.90 3iqf h PHE 278 N 4.84 0.32 -0.06 3.18 3.04 -1.91 -1.70 116.94 124.65 3iqf h PHE 278 Ca -0.45 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.54 3iqf h PHE 278 Cb 1.21 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.68 3iqf h PHE 278 CO 0.63 0.00 0.00 -1.33 -2.02 0.00 0.00 178.31 175.60 3iqf n MET 279 N -5.08 1.80 -2.63 1.11 2.81 -1.26 -4.89 117.12 108.98 3iqf n MET 279 Ca 0.11 -1.17 -0.42 0.00 -1.81 0.00 0.00 57.70 54.41 3iqf n MET 279 Cb 0.36 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.38 3iqf n MET 279 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3iqf s GLU 280 N -1.94 4.53 0.35 0.03 2.12 -0.64 -5.04 118.70 118.11 3iqf s GLU 280 Ca 0.36 1.53 -0.28 0.00 0.36 0.00 0.00 54.97 56.93 3iqf s GLU 280 Cb 0.20 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 31.07 3iqf s GLU 280 CO 0.32 -0.09 1.30 -0.51 -0.54 0.00 0.00 175.26 175.73 3iqf s ASP 281 N 0.95 6.67 0.36 -1.70 1.11 -1.26 -4.87 116.67 117.93 3iqf s ASP 281 Ca 0.54 2.67 -0.27 0.00 0.18 0.00 0.00 52.55 55.66 3iqf s ASP 281 Cb -0.24 -2.65 -0.09 0.00 1.07 0.00 0.00 42.92 41.01 3iqf s ASP 281 CO 0.29 -0.60 1.24 -2.16 1.18 0.00 0.00 175.17 175.11 3iqf s PRO 282 N -1.90 4.25 0.00 8.23 0.04 -1.26 -4.81 135.00 139.54 3iqf s PRO 282 Ca 0.51 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.59 3iqf s PRO 282 Cb -0.39 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3iqf s PRO 282 CO 0.52 -0.22 0.13 0.39 0.04 0.00 0.00 177.00 177.86