#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 3.84 0.25 12.58 1.01 -1.26 -4.61 120.40 132.21 3iqf s VAL 3 Ca 0.00 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 3iqf s VAL 3 Cb 0.00 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.43 3iqf s VAL 3 CO 0.00 0.26 0.87 0.00 0.00 0.00 0.00 175.10 176.23 3iqf s ALA 4 N 1.52 3.33 0.00 5.51 0.00 0.58 -4.92 121.76 127.79 3iqf s ALA 4 Ca 0.05 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.53 3iqf s ALA 4 Cb -0.16 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3iqf s ALA 4 CO 0.01 0.24 -0.21 0.15 0.00 0.00 0.00 175.76 175.94 3iqf s LYS 5 N -1.61 1.65 -0.03 0.00 1.02 -1.26 -1.17 119.74 118.34 3iqf s LYS 5 Ca 0.43 -0.83 -0.15 0.00 0.02 0.00 0.00 55.97 55.44 3iqf s LYS 5 Cb -0.21 -1.65 0.03 0.00 -0.52 0.00 0.00 37.83 35.47 3iqf s LYS 5 CO 0.26 0.44 0.33 0.00 -0.92 0.00 0.00 175.35 175.46 3iqf s ALA 6 N -0.59 -0.83 -0.11 5.17 0.00 -1.03 0.24 121.76 124.60 3iqf s ALA 6 Ca 0.08 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 3iqf s ALA 6 Cb -0.08 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 3iqf s ALA 6 CO 0.00 -0.26 -0.00 0.42 0.00 0.00 0.00 175.76 175.92 3iqf s ILE 7 N -1.17 4.26 -0.17 0.00 1.01 -1.03 -1.94 121.20 122.15 3iqf s ILE 7 Ca -0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3iqf s ILE 7 Cb -0.05 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 3iqf s ILE 7 CO 0.04 0.56 -0.03 -0.36 0.00 0.00 0.00 174.94 175.15 3iqf s PHE 8 N -0.42 3.02 -0.19 3.97 0.40 0.90 -0.56 117.98 125.10 3iqf s PHE 8 Ca 0.08 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 3iqf s PHE 8 Cb -0.12 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.38 3iqf s PHE 8 CO 0.02 -0.15 -0.03 0.42 0.70 0.00 0.00 175.22 176.18 3iqf s ILE 9 N 0.66 3.67 -0.25 0.64 1.01 0.23 -0.93 121.20 126.23 3iqf s ILE 9 Ca -0.02 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3iqf s ILE 9 Cb -0.14 -2.64 0.06 0.00 0.01 0.00 0.00 42.46 39.74 3iqf s ILE 9 CO 0.02 0.44 -0.10 -0.54 0.00 0.00 0.00 174.94 174.76 3iqf s LYS 10 N 1.00 2.16 -0.11 2.79 1.02 -0.43 -0.66 119.74 125.52 3iqf s LYS 10 Ca 0.01 -1.28 0.01 0.00 0.02 0.00 0.00 55.97 54.72 3iqf s LYS 10 Cb -0.15 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.35 3iqf s LYS 10 CO 0.01 -0.56 -0.12 0.00 -0.92 0.00 0.00 175.35 173.75 3iqf n GLY 12 N 4.51 -2.10 2.84 0.00 0.00 -0.35 -4.16 105.19 105.93 3iqf n GLY 12 Ca -0.17 -1.44 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.38 0.45 0.08 1.61 2.47 -1.26 -4.67 114.94 110.23 3iqf s ASN 13 Ca 0.00 -0.04 0.06 0.00 0.42 0.00 0.00 52.86 53.30 3iqf s ASN 13 Cb 0.00 -0.22 -0.03 0.00 -1.45 0.00 0.00 41.25 39.55 3iqf s ASN 13 CO 0.00 -0.07 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.38 3iqf s LEU 14 N 0.84 2.28 0.40 3.21 1.02 -1.26 -4.60 118.68 120.57 3iqf s LEU 14 Ca -0.09 -0.63 0.14 0.00 0.02 0.00 0.00 54.13 53.57 3iqf s LEU 14 Cb -0.12 -0.64 0.98 0.00 0.02 0.00 0.00 46.19 46.43 3iqf s LEU 14 CO -0.01 -0.03 1.88 1.23 0.02 0.00 0.00 176.35 179.45 3iqf h GLY 15 N 4.27 0.93 0.96 -3.19 0.00 -1.94 -1.12 103.07 102.98 3iqf h GLY 15 Ca -0.42 -0.22 -0.19 0.00 0.00 0.00 0.00 47.33 46.49 3iqf h GLY 15 CO 0.40 0.05 -0.73 -0.84 0.00 0.00 0.00 176.54 175.42 3iqf h THR 16 N 0.51 1.36 -0.06 4.70 2.02 -1.96 -3.01 112.91 116.46 3iqf h THR 16 Ca 0.42 -2.07 -0.12 0.00 0.77 0.00 0.00 66.41 65.41 3iqf h THR 16 Cb 0.89 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.69 3iqf h THR 16 CO -0.17 0.62 -0.53 0.77 0.37 0.00 0.00 175.52 176.59 3iqf h SER 17 N 0.14 0.17 -0.64 4.18 4.64 -1.84 0.34 113.55 120.55 3iqf h SER 17 Ca -0.08 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 3iqf h SER 17 Cb 1.41 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.41 3iqf h SER 17 CO 0.15 0.67 0.38 -0.03 -0.87 0.00 0.00 176.83 177.13 3iqf h MET 18 N 0.12 0.88 0.00 4.77 -1.53 -1.20 -3.23 114.93 114.74 3iqf h MET 18 Ca 0.00 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.18 3iqf h MET 18 Cb 0.97 -0.19 0.00 0.00 -0.55 0.00 0.00 31.60 31.84 3iqf h MET 18 CO 0.08 0.63 -0.99 -1.33 0.14 0.00 0.00 176.91 175.43 3iqf n MET 19 N -4.40 1.39 -0.20 0.39 2.81 -1.00 -4.77 117.12 111.35 3iqf n MET 19 Ca 0.06 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 3iqf n MET 19 Cb 0.08 -1.29 0.11 0.00 -0.71 0.00 0.00 33.22 31.40 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 0.33 -0.24 0.03 -0.00 -0.96 -1.57 114.93 112.51 3iqf h MET 20 Ca 0.00 -0.02 -0.17 0.00 -0.00 0.00 0.00 59.70 59.51 3iqf h MET 20 Cb 0.47 -0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 31.99 3iqf h MET 20 CO 0.00 0.22 -0.52 0.38 -0.00 0.00 0.00 176.91 176.99 3iqf h ASP 21 N 0.34 0.76 0.63 -0.10 2.03 -1.86 -3.18 116.42 115.05 3iqf h ASP 21 Ca 0.31 -0.40 -0.08 0.00 -0.73 0.00 0.00 57.03 56.13 3iqf h ASP 21 Cb 0.42 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.69 3iqf h ASP 21 CO -0.35 1.14 -0.39 0.24 -1.03 0.00 0.00 179.24 178.85 3iqf h MET 22 N 0.54 0.00 0.00 4.15 2.86 -1.64 -2.04 114.93 118.80 3iqf h MET 22 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3iqf h MET 22 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3iqf h MET 22 CO 0.11 0.39 0.00 -0.07 1.06 0.00 0.00 176.91 178.40 3iqf h LEU 23 N 0.00 0.00 -0.26 1.22 3.38 -1.36 -2.67 115.31 115.62 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 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3iqf h LEU 23 CO 0.05 0.00 -0.54 0.18 0.09 0.00 0.00 178.44 178.22 3iqf n LEU 24 N -2.65 0.95 -2.85 1.67 4.77 -0.77 -4.60 117.00 113.53 3iqf n LEU 24 Ca -0.01 -0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 55.58 3iqf n LEU 24 Cb 0.13 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3iqf n LEU 24 CO 0.18 0.20 0.15 -0.67 -1.33 0.00 0.00 177.39 175.92 3iqf n ASP 25 N -1.08 -1.80 0.30 -1.43 2.03 -1.01 -4.98 116.55 108.58 3iqf n ASP 25 Ca 0.07 -3.39 0.18 0.00 0.52 0.00 0.00 54.79 52.17 3iqf n ASP 25 Cb 0.36 1.28 0.96 0.00 -0.72 0.00 0.00 41.12 42.99 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 3.39 0.00 -0.06 -0.67 9.09 -1.80 -0.68 114.58 123.86 3iqf h GLU 26 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 3iqf h GLU 26 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 3iqf h GLU 26 CO 0.28 0.03 0.00 0.54 0.05 0.00 0.00 179.01 179.91 3iqf n ARG 27 N -3.43 2.96 -1.70 1.06 1.74 -1.26 -5.00 116.66 111.03 3iqf n ARG 27 Ca -0.02 -1.60 -0.20 0.00 -0.77 0.00 0.00 57.85 55.25 3iqf n ARG 27 Cb 0.14 -1.05 -0.08 0.00 -1.02 0.00 0.00 32.46 30.45 3iqf n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iqf n ALA 28 N -0.35 -0.35 0.11 7.54 0.00 -0.26 -4.88 120.51 122.32 3iqf n ALA 28 Ca 0.02 0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.84 3iqf n ALA 28 Cb 0.28 -2.04 0.15 0.00 0.00 0.00 0.00 19.45 17.84 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 -1.37 2.85 -4.73 0.00 5.75 -1.26 -4.96 116.55 112.82 3iqf n ASP 29 Ca -0.21 -1.85 -0.42 0.00 -0.01 0.00 0.00 54.79 52.31 3iqf n ASP 29 Cb 0.67 -0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 3iqf n ASP 29 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3iqf s ARG 30 N -1.10 4.42 0.00 0.11 0.52 -1.26 -4.41 118.95 117.22 3iqf s ARG 30 Ca 0.26 1.93 0.22 0.00 -0.52 0.00 0.00 55.73 57.62 3iqf s ARG 30 Cb 0.15 -3.25 0.18 0.00 0.52 0.00 0.00 34.95 32.55 3iqf s ARG 30 CO 0.20 -0.23 1.20 0.39 0.02 0.00 0.00 175.30 176.88 3iqf n GLU 31 N 3.09 2.04 -0.17 3.54 1.02 0.97 -4.44 120.64 126.69 3iqf n GLU 31 Ca 0.07 -1.82 0.07 0.00 -0.02 0.00 0.00 57.16 55.46 3iqf n GLU 31 Cb 0.44 -1.42 0.16 0.00 -0.02 0.00 0.00 31.44 30.60 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 1.23 2.92 -3.99 1.62 3.85 -1.26 -4.76 116.55 116.15 3iqf n ASP 32 Ca 0.13 -1.90 -0.11 0.00 -0.71 0.00 0.00 54.79 52.20 3iqf n ASP 32 Cb 0.54 -0.22 -0.12 0.00 -1.35 0.00 0.00 41.12 39.98 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 -1.04 0.26 -0.06 2.12 -7.23 -1.26 -0.30 120.40 112.89 3iqf s VAL 33 Ca 0.26 -0.82 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 3iqf s VAL 33 Cb 0.14 -0.35 0.04 0.00 0.56 0.00 0.00 36.38 36.77 3iqf s VAL 33 CO 0.19 -0.37 0.13 -0.70 -0.31 0.00 0.00 175.10 174.04 3iqf s GLU 34 N -1.25 0.04 0.11 4.82 2.12 -0.32 -4.91 118.70 119.31 3iqf s GLU 34 Ca -0.11 0.40 0.09 0.00 0.36 0.00 0.00 54.97 55.71 3iqf s GLU 34 Cb -0.08 -0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.03 3iqf s GLU 34 CO -0.00 -0.22 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.21 3iqf s PHE 35 N 1.53 2.00 0.05 5.30 2.99 -1.26 -2.47 117.98 126.13 3iqf s PHE 35 Ca -0.05 -0.40 0.09 0.00 0.00 0.00 0.00 56.93 56.57 3iqf s PHE 35 Cb -0.12 -1.10 -0.03 0.00 0.00 0.00 0.00 43.02 41.77 3iqf s PHE 35 CO -0.05 0.25 -0.26 1.03 -0.00 0.00 0.00 175.22 176.18 3iqf s ARG 36 N -1.90 1.73 -0.07 0.44 1.81 -0.82 -4.99 118.95 115.14 3iqf s ARG 36 Ca 0.09 -1.12 0.02 0.00 -1.72 0.00 0.00 55.73 53.00 3iqf s ARG 36 Cb -0.10 -1.93 0.01 0.00 -0.45 0.00 0.00 34.95 32.48 3iqf s ARG 36 CO 0.05 0.50 -0.12 0.08 -0.68 0.00 0.00 175.30 175.12 3iqf s VAL 37 N -0.83 1.17 0.05 3.52 1.01 -1.26 -0.07 120.40 123.99 3iqf s VAL 37 Ca 0.12 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 3iqf s VAL 37 Cb -0.10 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3iqf s VAL 37 CO 0.02 0.37 -0.04 0.68 0.00 0.00 0.00 175.10 176.13 3iqf s VAL 38 N 0.79 0.28 -0.09 2.92 -7.23 -0.10 -4.96 120.40 112.01 3iqf s VAL 38 Ca -0.12 -1.52 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 3iqf s VAL 38 Cb -0.15 -1.13 0.10 0.00 0.56 0.00 0.00 36.38 35.76 3iqf s VAL 38 CO 0.02 -0.80 1.38 -0.83 -0.31 0.00 0.00 175.10 174.56 3iqf s GLY 39 N -2.43 -0.23 -0.21 2.32 0.00 -1.26 -1.31 107.32 104.20 3iqf s GLY 39 Ca 0.00 0.19 0.13 0.00 0.00 0.00 0.00 44.72 45.04 3iqf s GLY 39 CO -0.06 6.73 1.30 -1.30 0.00 0.00 0.00 173.10 179.77 3iqf n THR 40 N -0.97 2.25 -3.69 0.90 -2.24 -1.13 -4.94 114.28 104.45 3iqf n THR 40 Ca 0.06 -2.74 0.00 0.00 -2.27 0.00 0.00 64.05 59.10 3iqf n THR 40 Cb 0.58 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.13 0.00 0.19 3.42 2.88 -1.26 -2.93 113.62 114.80 3iqf n SER 41 Ca 0.23 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.91 3iqf n SER 41 Cb 0.80 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.81 3iqf n SER 41 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3iqf h VAL 42 N 0.00 0.00 -3.28 2.46 -1.51 -1.91 -0.93 116.25 111.08 3iqf h VAL 42 Ca 0.00 -0.41 -0.56 0.00 -1.23 0.00 0.00 66.70 64.50 3iqf h VAL 42 Cb 0.00 1.29 -0.05 0.00 -2.13 0.00 0.00 31.29 30.40 3iqf h VAL 42 CO 0.00 0.00 0.49 -0.54 -1.23 0.00 0.00 177.57 176.29 3iqf s LYS 43 N -3.44 4.40 -0.07 5.19 1.02 -1.15 -3.31 119.74 122.38 3iqf s LYS 43 Ca 0.04 1.28 0.19 0.00 0.02 0.00 0.00 55.97 57.49 3iqf s LYS 43 Cb 0.09 -3.54 0.37 0.00 -0.52 0.00 0.00 37.83 34.23 3iqf s LYS 43 CO 0.49 -0.29 1.16 0.00 -0.92 0.00 0.00 175.35 175.79 3iqf n MET 44 N 4.95 0.52 -1.40 1.68 0.00 -1.26 -4.00 117.12 117.61 3iqf n MET 44 Ca 0.07 -2.29 -0.31 0.00 0.00 0.00 0.00 57.70 55.16 3iqf n MET 44 Cb 0.49 -0.60 0.08 0.00 0.00 0.00 0.00 33.22 33.19 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 -2.29 4.71 0.31 3.17 -4.77 -1.26 -3.90 116.67 112.65 3iqf s ASP 45 Ca 0.31 1.84 0.08 0.00 -3.30 0.00 0.00 52.55 51.48 3iqf s ASP 45 Cb 0.34 -2.53 0.83 0.00 -1.09 0.00 0.00 42.92 40.47 3iqf s ASP 45 CO -0.11 -1.89 1.74 -0.65 0.70 0.00 0.00 175.17 174.95 3iqf h PRO 46 N -0.84 0.59 -0.29 2.11 0.11 -1.85 -1.01 132.00 130.81 3iqf h PRO 46 Ca -0.44 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3iqf h PRO 46 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3iqf h PRO 46 CO 0.52 0.39 0.01 0.93 -0.21 0.00 0.00 178.00 179.64 3iqf h GLU 47 N 0.60 0.51 -0.27 1.05 3.07 -1.96 -0.01 114.58 117.57 3iqf h GLU 47 Ca 0.62 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 59.28 3iqf h GLU 47 Cb 1.13 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 3iqf h GLU 47 CO -0.46 0.65 0.02 0.00 -1.40 0.00 0.00 179.01 177.82 3iqf h VAL 49 N 0.27 1.18 -0.73 0.00 2.07 -1.15 0.16 116.25 118.05 3iqf h VAL 49 Ca 0.08 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3iqf h VAL 49 Cb 0.39 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3iqf h VAL 49 CO 0.01 0.19 0.45 -0.08 0.02 0.00 0.00 177.57 178.16 3iqf h GLU 50 N 0.60 0.83 -0.73 1.57 4.81 -0.96 0.37 114.58 121.07 3iqf h GLU 50 Ca 0.16 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3iqf h GLU 50 Cb 0.09 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3iqf h GLU 50 CO -0.02 0.55 0.31 0.00 -0.73 0.00 0.00 179.01 179.11 3iqf h ALA 51 N 1.33 1.17 -0.03 2.92 0.00 -0.78 0.83 119.26 124.70 3iqf h ALA 51 Ca 0.30 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iqf h ALA 51 Cb 0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3iqf h ALA 51 CO -0.13 0.61 0.01 0.00 0.00 0.00 0.00 179.25 179.74 3iqf h ALA 52 N 1.28 0.04 -0.28 0.00 0.00 0.20 -1.54 119.26 118.95 3iqf h ALA 52 Ca 0.25 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3iqf h ALA 52 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3iqf h ALA 52 CO -0.02 -0.36 -0.33 0.28 0.00 0.00 0.00 179.25 178.81 3iqf h VAL 53 N -0.14 1.28 -0.70 0.00 2.07 -0.79 -1.61 116.25 116.36 3iqf h VAL 53 Ca 0.01 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.01 3iqf h VAL 53 Cb 0.20 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3iqf h VAL 53 CO -0.00 0.46 0.17 -0.33 0.02 0.00 0.00 177.57 177.89 3iqf h GLU 54 N 0.52 1.12 -0.34 1.57 5.08 -0.81 0.77 114.58 122.49 3iqf h GLU 54 Ca 0.06 -0.27 0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3iqf h GLU 54 Cb 0.82 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 3iqf h GLU 54 CO 0.07 0.99 -0.03 0.52 -1.00 0.00 0.00 179.01 179.56 3iqf h MET 55 N 1.06 0.06 -0.16 2.33 2.86 -0.72 0.84 114.93 121.21 3iqf h MET 55 Ca 0.22 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 3iqf h MET 55 Cb 0.37 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3iqf h MET 55 CO 0.00 0.04 0.06 0.00 1.06 0.00 0.00 176.91 178.08 3iqf h ALA 56 N 1.31 0.18 -0.30 6.32 0.00 -0.81 -0.11 119.26 125.84 3iqf h ALA 56 Ca 0.17 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 56 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iqf h ALA 56 CO -0.30 -0.37 -0.22 -0.07 0.00 0.00 0.00 179.25 178.29 3iqf h LEU 57 N 0.15 0.58 0.04 0.00 3.38 -0.65 0.21 115.31 119.02 3iqf h LEU 57 Ca 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3iqf h LEU 57 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3iqf h LEU 57 CO -0.06 0.80 -0.05 0.44 0.09 0.00 0.00 178.44 179.66 3iqf h ASP 58 N 0.51 -0.14 -0.13 -0.43 3.32 -0.52 -2.53 116.42 116.50 3iqf h ASP 58 Ca 0.08 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3iqf h ASP 58 Cb 0.66 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3iqf h ASP 58 CO 0.05 -0.08 -0.04 0.40 -1.72 0.00 0.00 179.24 177.85 3iqf h ILE 59 N -0.11 1.18 -0.18 0.35 2.04 -0.62 -3.03 117.51 117.15 3iqf h ILE 59 Ca 0.01 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 3iqf h ILE 59 Cb 0.11 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3iqf h ILE 59 CO -0.03 0.24 -0.08 0.00 0.00 0.00 0.00 178.15 178.28 3iqf h ALA 60 N 1.59 1.53 -0.77 1.87 0.00 -0.17 -0.10 119.26 123.21 3iqf h ALA 60 Ca 0.08 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.95 3iqf h ALA 60 Cb 0.32 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 3iqf h ALA 60 CO 0.01 0.34 0.33 0.93 0.00 0.00 0.00 179.25 180.86 3iqf h GLU 61 N 0.27 0.48 0.02 0.00 4.39 -1.37 0.21 114.58 118.58 3iqf h GLU 61 Ca 0.06 -0.03 -0.36 0.00 0.34 0.00 0.00 59.36 59.36 3iqf h GLU 61 Cb 0.32 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 3iqf h GLU 61 CO 0.02 0.31 -2.25 -0.25 -1.16 0.00 0.00 179.01 175.68 3iqf n ASP 62 N -4.97 1.17 0.08 1.42 8.00 -1.11 -4.47 116.55 116.68 3iqf n ASP 62 Ca 0.15 0.05 -0.08 0.00 0.71 0.00 0.00 54.79 55.61 3iqf n ASP 62 Cb 0.41 0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.01 0.32 -5.76 1.24 3.57 -0.86 -3.48 116.94 111.97 3iqf h PHE 63 Ca -0.50 -0.17 -0.33 0.00 3.53 0.00 0.00 57.97 60.50 3iqf h PHE 63 Cb 2.06 -0.04 0.15 0.00 2.79 0.00 0.00 35.95 40.90 3iqf h PHE 63 CO 0.02 0.96 -0.86 0.39 -2.23 0.00 0.00 178.31 176.59 3iqf n GLU 64 N -3.70 -3.03 -2.08 1.11 1.02 0.73 -4.96 120.64 109.73 3iqf n GLU 64 Ca -0.04 0.73 -0.35 0.00 -0.02 0.00 0.00 57.16 57.48 3iqf n GLU 64 Cb 0.78 -5.34 0.02 0.00 -0.02 0.00 0.00 31.44 26.88 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 -5.15 3.11 0.20 3.49 0.04 -1.26 -4.83 135.00 130.60 3iqf s PRO 65 Ca 0.33 1.66 0.06 0.00 0.04 0.00 0.00 61.00 63.09 3iqf s PRO 65 Cb -0.07 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.60 3iqf s PRO 65 CO 0.78 -1.06 1.45 -0.44 0.04 0.00 0.00 177.00 177.77 3iqf h ASP 66 N 0.89 0.12 -5.11 6.66 5.19 -0.58 -3.47 116.42 120.12 3iqf h ASP 66 Ca -0.50 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 55.79 3iqf h ASP 66 Cb 1.27 -0.04 -0.10 0.00 0.18 0.00 0.00 39.33 40.64 3iqf h ASP 66 CO 0.56 0.86 -0.01 0.72 -3.12 0.00 0.00 179.24 178.25 3iqf s PHE 67 N -3.29 -0.05 -0.02 4.55 -0.12 -1.20 -4.29 117.98 113.54 3iqf s PHE 67 Ca -0.02 -0.29 0.06 0.00 -0.05 0.00 0.00 56.93 56.63 3iqf s PHE 67 Cb 0.11 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.82 3iqf s PHE 67 CO 0.80 -0.89 -0.19 0.42 -0.05 0.00 0.00 175.22 175.31 3iqf s ILE 68 N -3.88 1.51 -0.14 -4.49 1.01 -0.06 -2.47 121.20 112.67 3iqf s ILE 68 Ca 0.10 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.96 3iqf s ILE 68 Cb -0.00 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.21 3iqf s ILE 68 CO -0.03 0.43 -0.19 -0.69 0.00 0.00 0.00 174.94 174.46 3iqf s VAL 69 N -0.36 2.39 -0.21 2.92 1.01 0.28 -1.17 120.40 125.26 3iqf s VAL 69 Ca 0.05 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3iqf s VAL 69 Cb -0.08 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3iqf s VAL 69 CO -0.00 0.53 0.00 -0.47 0.00 0.00 0.00 175.10 175.17 3iqf s TYR 70 N 0.70 3.04 -0.06 5.22 6.14 -0.13 0.78 117.35 133.03 3iqf s TYR 70 Ca -0.09 -0.49 0.03 0.00 0.64 0.00 0.00 57.07 57.17 3iqf s TYR 70 Cb -0.16 -2.10 0.01 0.00 0.42 0.00 0.00 41.96 40.13 3iqf s TYR 70 CO 0.01 -0.27 -0.15 0.20 0.64 0.00 0.00 175.55 175.98 3iqf s GLY 71 N 1.08 0.91 0.00 8.97 0.00 0.17 -0.37 107.32 118.09 3iqf s GLY 71 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3iqf s GLY 71 CO 0.02 -0.09 0.00 0.61 0.00 0.00 0.00 173.10 173.63 3iqf n GLY 72 N 3.57 -0.22 3.73 0.20 0.00 -0.85 -2.47 105.19 109.15 3iqf n GLY 72 Ca -0.21 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 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 2.50 -0.37 1.61 0.02 -1.26 -4.25 135.00 131.25 3iqf s PRO 73 Ca 0.00 1.92 -0.33 0.00 0.02 0.00 0.00 61.00 62.61 3iqf s PRO 73 Cb 0.00 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.71 3iqf s PRO 73 CO 0.00 -1.60 0.56 -1.71 -0.33 0.00 0.00 177.00 173.92 3iqf n ASN 74 N -2.10 -5.10 0.09 2.53 2.85 -1.26 -4.86 115.26 107.41 3iqf n ASN 74 Ca 0.15 -0.11 0.20 0.00 -0.11 0.00 0.00 54.58 54.71 3iqf n ASN 74 Cb 0.49 -1.46 0.65 0.00 1.24 0.00 0.00 39.78 40.71 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 2.06 0.00 0.00 1.20 0.11 -1.87 -0.56 132.00 132.93 3iqf h PRO 75 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3iqf h PRO 75 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3iqf h PRO 75 CO 0.19 0.00 -0.20 0.00 -0.21 0.00 0.00 178.00 177.78 3iqf n ALA 76 N -2.18 2.54 -1.35 -0.75 0.00 -1.26 -3.44 120.51 114.07 3iqf n ALA 76 Ca 0.08 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 3iqf n ALA 76 Cb 0.78 -1.37 0.10 0.00 0.00 0.00 0.00 19.45 18.97 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 -3.10 2.10 0.17 0.00 0.00 -0.22 -4.77 121.76 115.93 3iqf s ALA 77 Ca 0.10 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 3iqf s ALA 77 Cb 0.14 -3.20 0.10 0.00 0.00 0.00 0.00 23.12 20.16 3iqf s ALA 77 CO 0.63 -1.86 1.67 -1.35 0.00 0.00 0.00 175.76 174.85 3iqf h PRO 78 N -1.19 0.01 0.97 0.00 0.11 -1.91 -0.48 132.00 129.51 3iqf h PRO 78 Ca -0.46 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3iqf h PRO 78 Cb 1.25 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 3iqf h PRO 78 CO 0.55 0.01 -0.47 0.78 -0.21 0.00 0.00 178.00 178.66 3iqf h GLY 79 N 0.01 -1.36 0.84 -0.55 0.00 -1.84 -2.36 103.07 97.80 3iqf h GLY 79 Ca 0.20 0.50 0.12 0.00 0.00 0.00 0.00 47.33 48.15 3iqf h GLY 79 CO -0.42 -0.50 0.48 -2.55 0.00 0.00 0.00 176.54 173.56 3iqf h PRO 80 N -1.33 0.51 -0.51 4.80 0.11 -1.75 -0.65 132.00 133.19 3iqf h PRO 80 Ca -0.13 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 3iqf h PRO 80 Cb 1.00 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 3iqf h PRO 80 CO 0.22 0.34 0.27 0.77 -0.21 0.00 0.00 178.00 179.39 3iqf h SER 81 N 0.53 0.63 -0.35 -2.05 0.02 -0.94 -0.40 113.55 110.98 3iqf h SER 81 Ca 0.34 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 61.14 3iqf h SER 81 Cb 0.62 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3iqf h SER 81 CO -0.12 0.52 -0.19 0.50 -1.14 0.00 0.00 176.83 176.40 3iqf h LYS 82 N 0.71 0.75 -0.75 3.45 1.63 -0.59 -1.70 116.57 120.08 3iqf h LYS 82 Ca 0.18 -0.34 -0.05 0.00 -0.85 0.00 0.00 60.65 59.60 3iqf h LYS 82 Cb 0.04 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 3iqf h LYS 82 CO -0.03 0.95 0.28 0.00 -3.45 0.00 0.00 179.45 177.20 3iqf h ALA 83 N 0.78 0.98 -0.41 5.00 0.00 -0.88 -0.15 119.26 124.57 3iqf h ALA 83 Ca 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3iqf h ALA 83 Cb 0.74 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3iqf h ALA 83 CO 0.06 0.62 0.25 0.00 0.00 0.00 0.00 179.25 180.17 3iqf h ARG 84 N 1.09 0.49 0.04 0.00 3.08 -1.00 0.24 114.38 118.31 3iqf h ARG 84 Ca 0.25 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3iqf h ARG 84 Cb 0.24 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3iqf h ARG 84 CO -0.02 0.32 -0.08 1.49 -1.07 0.00 0.00 179.97 180.61 3iqf h GLU 85 N 0.50 -0.16 -0.63 0.04 4.81 -0.80 0.11 114.58 118.46 3iqf h GLU 85 Ca 0.16 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3iqf h GLU 85 Cb -0.00 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3iqf h GLU 85 CO -0.07 -0.10 0.16 0.52 -0.73 0.00 0.00 179.01 178.79 3iqf h MET 86 N -0.16 1.01 -0.25 1.92 2.86 -0.78 -1.91 114.93 117.61 3iqf h MET 86 Ca 0.02 -0.24 -0.20 0.00 -2.06 0.00 0.00 59.70 57.23 3iqf h MET 86 Cb 0.18 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3iqf h MET 86 CO -0.06 0.91 -0.62 -0.07 1.06 0.00 0.00 176.91 178.13 3iqf h LEU 87 N 0.93 0.97 -0.93 1.22 3.38 -0.39 -2.12 115.31 118.37 3iqf h LEU 87 Ca 0.20 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3iqf h LEU 87 Cb 0.35 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3iqf h LEU 87 CO 0.00 1.36 0.31 0.00 0.09 0.00 0.00 178.44 180.20 3iqf h ALA 88 N 0.65 1.15 0.00 1.53 0.00 -0.77 -2.59 119.26 119.22 3iqf h ALA 88 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3iqf h ALA 88 Cb 1.23 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3iqf h ALA 88 CO 0.13 0.62 -0.14 -0.44 0.00 0.00 0.00 179.25 179.42 3iqf h ASP 89 N 1.07 0.00 -4.36 0.00 5.19 -1.24 -3.46 116.42 113.63 3iqf h ASP 89 Ca 0.25 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.20 3iqf h ASP 89 Cb 0.18 0.00 0.12 0.00 0.18 0.00 0.00 39.33 39.80 3iqf h ASP 89 CO -0.02 0.14 0.34 -0.94 -3.12 0.00 0.00 179.24 175.63 3iqf s SER 90 N -6.03 3.97 0.00 6.45 1.04 -0.81 -4.96 113.70 113.36 3iqf s SER 90 Ca 0.01 0.96 0.31 0.00 0.48 0.00 0.00 55.95 57.71 3iqf s SER 90 Cb 0.10 -1.55 1.65 0.00 0.10 0.00 0.00 66.02 66.32 3iqf s SER 90 CO 0.61 -2.26 2.10 -1.84 0.98 0.00 0.00 173.24 172.83 3iqf n GLU 91 N -3.58 0.81 -3.60 4.02 0.28 -1.26 -4.85 120.64 112.46 3iqf n GLU 91 Ca 0.07 -0.08 -0.36 0.00 -0.16 0.00 0.00 57.16 56.63 3iqf n GLU 91 Cb 0.59 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.89 3iqf n GLU 91 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3iqf s TYR 92 N -2.25 3.45 0.47 -1.84 2.02 -1.26 -5.05 117.35 112.89 3iqf s TYR 92 Ca 0.39 0.52 -0.24 0.00 -0.37 0.00 0.00 57.07 57.36 3iqf s TYR 92 Cb 0.21 -2.28 -0.08 0.00 -0.40 0.00 0.00 41.96 39.41 3iqf s TYR 92 CO 0.41 0.26 1.29 -2.30 -1.57 0.00 0.00 175.55 173.65 3iqf n PRO 93 N 3.52 1.85 -3.94 -1.71 -0.02 -1.26 -4.83 135.00 128.61 3iqf n PRO 93 Ca -0.13 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 61.92 3iqf n PRO 93 Cb 0.52 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.45 3iqf n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iqf s ALA 94 N -1.24 -0.02 -0.04 3.55 0.00 -1.26 -0.88 121.76 121.86 3iqf s ALA 94 Ca 0.65 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.12 3iqf s ALA 94 Cb -0.47 0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3iqf s ALA 94 CO 0.55 -0.24 -0.11 0.08 0.00 0.00 0.00 175.76 176.04 3iqf s VAL 95 N -1.98 0.99 -0.25 0.00 1.01 -0.32 -0.93 120.40 118.92 3iqf s VAL 95 Ca -0.11 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 3iqf s VAL 95 Cb -0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3iqf s VAL 95 CO -0.02 0.31 0.12 -0.63 0.00 0.00 0.00 175.10 174.87 3iqf s ILE 96 N 0.37 4.78 -0.25 2.22 -1.09 -0.20 -0.95 121.20 126.08 3iqf s ILE 96 Ca -0.07 -0.02 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 3iqf s ILE 96 Cb -0.12 -3.24 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 3iqf s ILE 96 CO 0.02 0.32 0.21 -0.63 -1.23 0.00 0.00 174.94 173.63 3iqf s ILE 97 N 1.49 5.31 0.00 2.92 -1.09 0.50 -0.48 121.20 129.86 3iqf s ILE 97 Ca 0.06 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 3iqf s ILE 97 Cb -0.15 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 3iqf s ILE 97 CO 0.06 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 3iqf n GLY 98 N 4.45 3.78 0.69 6.18 0.00 -0.50 -2.01 105.19 117.78 3iqf n GLY 98 Ca -0.13 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.25 2.13 -0.33 1.61 3.85 -1.26 -0.84 116.55 120.45 3iqf n ASP 99 Ca 0.00 -1.43 0.01 0.00 -0.71 0.00 0.00 54.79 52.66 3iqf n ASP 99 Cb 0.00 0.08 0.15 0.00 -1.35 0.00 0.00 41.12 40.00 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 1.06 1.25 -0.70 2.12 0.00 -1.79 -0.91 119.26 120.29 3iqf h ALA 100 Ca -0.08 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.02 3iqf h ALA 100 Cb 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3iqf h ALA 100 CO 0.13 0.37 0.63 -1.35 0.00 0.00 0.00 179.25 179.03 3iqf h PRO 101 N 1.07 0.00 0.00 0.00 0.11 -1.96 -0.17 132.00 131.06 3iqf h PRO 101 Ca 0.39 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.50 3iqf h PRO 101 Cb 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 3iqf h PRO 101 CO -0.16 0.00 -0.00 0.78 -0.21 0.00 0.00 178.00 178.40 3iqf h GLY 102 N 0.00 0.00 1.60 -0.55 0.00 -1.51 -2.64 103.07 99.96 3iqf h GLY 102 Ca 0.33 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.72 3iqf h GLY 102 CO -0.00 0.00 0.15 1.41 0.00 0.00 0.00 176.54 178.09 3iqf h LEU 103 N 0.00 0.00 -2.38 3.11 3.38 -1.18 -1.41 115.31 116.82 3iqf h LEU 103 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqf h LEU 103 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3iqf h LEU 103 CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.64 3iqf h LYS 104 N 0.00 0.00 -0.04 1.13 1.57 -1.68 -2.97 116.57 114.59 3iqf h LYS 104 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3iqf h LYS 104 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3iqf h LYS 104 CO -0.00 0.00 -0.11 1.33 -0.57 0.00 0.00 179.45 180.10 3iqf n VAL 105 N -3.97 2.02 0.00 0.50 0.24 -0.54 -4.77 118.33 111.80 3iqf n VAL 105 Ca -0.03 -2.46 -0.11 0.00 -2.04 0.00 0.00 64.34 59.69 3iqf n VAL 105 Cb 0.09 -0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 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 0.43 0.10 -0.23 7.34 3.64 -1.39 0.15 116.57 126.61 3iqf h LYS 106 Ca 0.01 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3iqf h LYS 106 Cb 1.07 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3iqf h LYS 106 CO 0.04 0.15 -0.32 -0.44 -2.27 0.00 0.00 179.45 176.61 3iqf h ASP 107 N 0.03 0.48 -0.23 4.20 3.32 -1.86 -1.54 116.42 120.81 3iqf h ASP 107 Ca 0.03 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.92 3iqf h ASP 107 Cb 0.08 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3iqf h ASP 107 CO -0.00 0.77 0.09 -0.08 -1.72 0.00 0.00 179.24 178.30 3iqf h GLU 108 N 0.40 0.20 -0.93 3.56 4.81 -1.80 -2.10 114.58 118.72 3iqf h GLU 108 Ca 0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3iqf h GLU 108 Cb 0.75 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 3iqf h GLU 108 CO 0.06 0.13 0.57 0.52 -0.73 0.00 0.00 179.01 179.56 3iqf h MET 109 N 0.21 1.26 -0.64 1.92 2.86 -0.31 0.34 114.93 120.56 3iqf h MET 109 Ca 0.10 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3iqf h MET 109 Cb 0.05 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.41 3iqf h MET 109 CO -0.09 0.87 0.43 0.93 1.06 0.00 0.00 176.91 180.11 3iqf h GLU 110 N 1.28 0.84 -0.34 1.72 5.08 -1.02 -1.18 114.58 120.96 3iqf h GLU 110 Ca 0.33 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3iqf h GLU 110 Cb -0.07 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 28.95 3iqf h GLU 110 CO -0.06 0.56 0.02 -1.91 -1.00 0.00 0.00 179.01 176.61 3iqf n GLU 111 N -4.64 2.78 0.22 2.33 4.07 -0.81 -2.09 120.64 122.49 3iqf n GLU 111 Ca 0.05 -2.95 0.15 0.00 -0.06 0.00 0.00 57.16 54.35 3iqf n GLU 111 Cb 0.02 -1.89 0.75 0.00 -0.06 0.00 0.00 31.44 30.27 3iqf n GLU 111 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 3iqf h GLN 112 N 1.72 0.00 -0.16 5.31 4.20 -0.14 -3.48 115.11 122.56 3iqf h GLN 112 Ca 0.08 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3iqf h GLN 112 Cb 1.60 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.36 3iqf h GLN 112 CO 0.32 0.00 -0.06 0.41 -0.67 0.00 0.00 178.83 178.83 3iqf n GLY 113 N -0.87 0.62 3.88 3.46 0.00 -0.82 -4.78 105.19 106.69 3iqf n GLY 113 Ca -0.01 -0.93 -0.33 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 -0.73 4.32 0.71 0.99 1.43 -0.51 -4.75 118.68 120.14 3iqf s LEU 114 Ca 0.00 0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 53.68 3iqf s LEU 114 Cb 0.00 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.20 3iqf s LEU 114 CO 0.00 0.14 1.07 -0.83 0.23 0.00 0.00 176.35 176.95 3iqf s GLY 115 N -2.01 1.62 -0.01 -3.19 0.00 -0.11 -4.39 107.32 99.24 3iqf s GLY 115 Ca 0.35 -0.60 -0.20 0.00 0.00 0.00 0.00 44.72 44.27 3iqf s GLY 115 CO 0.20 -0.21 0.44 -2.52 0.00 0.00 0.00 173.10 171.01 3iqf s TYR 116 N -3.33 -0.34 -0.25 1.90 1.13 0.88 -1.03 117.35 116.32 3iqf s TYR 116 Ca 0.59 0.50 -0.01 0.00 -1.41 0.00 0.00 57.07 56.74 3iqf s TYR 116 Cb -0.11 0.22 0.07 0.00 -1.10 0.00 0.00 41.96 41.04 3iqf s TYR 116 CO 0.48 -0.50 0.02 0.42 -2.51 0.00 0.00 175.55 173.47 3iqf s ILE 117 N -1.59 1.06 -0.26 -3.49 1.01 0.37 -1.01 121.20 117.29 3iqf s ILE 117 Ca -0.11 -1.12 -0.09 0.00 0.00 0.00 0.00 60.65 59.33 3iqf s ILE 117 Cb -0.03 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3iqf s ILE 117 CO 0.04 -0.33 0.14 -0.76 0.00 0.00 0.00 174.94 174.03 3iqf s LEU 118 N 1.58 3.78 -0.44 2.97 1.43 0.22 -1.41 118.68 126.81 3iqf s LEU 118 Ca 0.01 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3iqf s LEU 118 Cb -0.18 -2.03 0.12 0.00 0.03 0.00 0.00 46.19 44.13 3iqf s LEU 118 CO -0.12 -0.03 0.25 -0.69 0.23 0.00 0.00 176.35 175.99 3iqf s VAL 119 N 1.64 3.50 0.19 -1.59 1.01 -0.02 -0.52 120.40 124.60 3iqf s VAL 119 Ca 0.07 -2.10 -0.10 0.00 0.00 0.00 0.00 61.98 59.85 3iqf s VAL 119 Cb -0.15 -3.37 0.11 0.00 0.00 0.00 0.00 36.38 32.97 3iqf s VAL 119 CO 0.07 -0.73 1.73 0.11 0.00 0.00 0.00 175.10 176.29 3iqf h LYS 120 N 8.02 1.04 0.00 2.72 1.57 -1.28 -1.66 116.57 126.97 3iqf h LYS 120 Ca -0.13 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3iqf h LYS 120 Cb 1.04 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3iqf h LYS 120 CO 0.73 0.89 0.00 -2.30 -0.57 0.00 0.00 179.45 178.20 3iqf n PRO 121 N -4.34 0.08 -2.22 3.15 -0.02 -1.26 -4.27 135.00 126.12 3iqf n PRO 121 Ca 0.05 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 3iqf n PRO 121 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.38 4.52 -4.80 2.55 -0.08 -0.62 -4.33 116.55 112.40 3iqf n ASP 122 Ca 0.04 -2.91 -0.37 0.00 -1.51 0.00 0.00 54.79 50.04 3iqf n ASP 122 Cb 0.10 -1.67 -0.06 0.00 2.34 0.00 0.00 41.12 41.83 3iqf n ASP 122 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iqf s ALA 123 N 3.14 3.32 0.32 -1.67 0.00 -1.26 -4.75 121.76 120.85 3iqf s ALA 123 Ca 0.48 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 3iqf s ALA 123 Cb 0.08 -2.99 -0.11 0.00 0.00 0.00 0.00 23.12 20.10 3iqf s ALA 123 CO -0.01 0.26 1.55 1.41 0.00 0.00 0.00 175.76 178.97 3iqf s MET 124 N -1.95 4.13 0.91 0.00 1.75 -1.26 -4.90 119.30 117.98 3iqf s MET 124 Ca 0.46 2.56 -0.11 0.00 -1.25 0.00 0.00 55.69 57.34 3iqf s MET 124 Cb -0.18 -3.01 0.20 0.00 2.84 0.00 0.00 34.83 34.68 3iqf s MET 124 CO 0.23 -0.59 1.25 -0.48 -0.65 0.00 0.00 175.02 174.78 3iqf s LEU 125 N -1.01 2.81 -1.23 4.11 0.05 -1.26 -4.49 118.68 117.67 3iqf s LEU 125 Ca 0.60 -0.05 -0.10 0.00 0.05 0.00 0.00 54.13 54.63 3iqf s LEU 125 Cb -0.47 -1.99 0.19 0.00 -2.05 0.00 0.00 46.19 41.87 3iqf s LEU 125 CO 0.53 -2.61 1.67 0.61 -0.55 0.00 0.00 176.35 176.00 3iqf n GLY 126 N -3.55 4.41 2.74 -3.48 0.00 -1.26 -4.85 105.19 99.19 3iqf n GLY 126 Ca 0.17 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 3iqf n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqf n ALA 127 N 3.96 5.72 -2.82 4.61 0.00 -1.26 -4.23 120.51 126.50 3iqf n ALA 127 Ca 0.36 -4.07 -0.32 0.00 0.00 0.00 0.00 53.44 49.41 3iqf n ALA 127 Cb 0.38 -3.21 -0.15 0.00 0.00 0.00 0.00 19.45 16.46 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 1.49 2.79 0.41 0.00 1.81 -1.26 -4.95 118.95 119.24 3iqf s ARG 128 Ca 0.46 -0.81 0.14 0.00 -1.72 0.00 0.00 55.73 53.80 3iqf s ARG 128 Cb 0.13 -2.33 1.00 0.00 -0.45 0.00 0.00 34.95 33.30 3iqf s ARG 128 CO -0.04 0.37 1.92 -0.09 -0.68 0.00 0.00 175.30 176.78 3iqf h ARG 129 N 6.14 0.46 0.00 3.54 2.43 -1.90 0.26 114.38 125.31 3iqf h ARG 129 Ca -0.32 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3iqf h ARG 129 Cb 1.19 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3iqf h ARG 129 CO 0.50 0.30 0.00 0.93 -1.51 0.00 0.00 179.97 180.19 3iqf h GLU 130 N 0.47 0.00 0.00 0.20 3.07 -1.96 -3.35 114.58 113.01 3iqf h GLU 130 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3iqf h GLU 130 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3iqf h GLU 130 CO -0.12 0.00 -0.90 0.34 -1.40 0.00 0.00 179.01 176.92 3iqf n PHE 131 N -2.45 0.00 -3.00 4.33 7.35 -0.14 -4.99 117.46 118.55 3iqf n PHE 131 Ca 0.01 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.26 3iqf n PHE 131 Cb 0.20 0.04 -0.04 0.00 0.35 0.00 0.00 39.48 40.03 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 -5.74 5.04 0.56 -2.13 2.96 0.75 -4.87 118.68 115.24 3iqf s LEU 132 Ca 0.00 -1.42 0.09 0.00 -0.22 0.00 0.00 54.13 52.59 3iqf s LEU 132 Cb 0.00 -2.35 0.08 0.00 0.50 0.00 0.00 46.19 44.42 3iqf s LEU 132 CO 0.00 -1.21 0.76 1.51 -1.32 0.00 0.00 176.35 176.10 3iqf s ASP 133 N 3.59 5.12 0.27 3.68 -4.77 -1.26 -4.68 116.67 118.63 3iqf s ASP 133 Ca 0.19 -0.83 -0.00 0.00 -3.30 0.00 0.00 52.55 48.60 3iqf s ASP 133 Cb -0.18 0.23 0.55 0.00 -1.09 0.00 0.00 42.92 42.43 3iqf s ASP 133 CO 0.05 -1.29 1.77 -0.65 0.70 0.00 0.00 175.17 175.74 3iqf h PRO 134 N 0.24 0.63 0.02 2.11 0.11 -1.99 -1.31 132.00 131.81 3iqf h PRO 134 Ca -0.31 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 3iqf h PRO 134 Cb 1.29 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3iqf h PRO 134 CO 0.42 0.42 -0.01 0.28 -0.21 0.00 0.00 178.00 178.89 3iqf h VAL 135 N 0.65 1.11 -0.82 3.15 2.07 -1.98 -1.14 116.25 119.28 3iqf h VAL 135 Ca 0.48 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3iqf h VAL 135 Cb 0.67 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 3iqf h VAL 135 CO -0.36 0.10 0.46 -0.08 0.02 0.00 0.00 177.57 177.71 3iqf h GLU 136 N -0.20 1.14 -0.77 1.57 4.57 -1.84 0.16 114.58 119.21 3iqf h GLU 136 Ca -0.00 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3iqf h GLU 136 Cb 0.19 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 3iqf h GLU 136 CO 0.00 0.84 0.50 1.98 -1.18 0.00 0.00 179.01 181.15 3iqf h MET 137 N 1.14 0.97 -0.44 1.92 4.05 -1.12 -0.42 114.93 121.03 3iqf h MET 137 Ca 0.29 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.54 3iqf h MET 137 Cb 0.02 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.59 3iqf h MET 137 CO -0.05 0.64 -0.17 0.00 0.23 0.00 0.00 176.91 177.56 3iqf h ALA 138 N 1.31 0.61 -0.64 0.39 0.00 -0.61 -1.55 119.26 118.77 3iqf h ALA 138 Ca 0.30 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3iqf h ALA 138 Cb -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3iqf h ALA 138 CO -0.09 0.55 0.41 0.82 0.00 0.00 0.00 179.25 180.94 3iqf h ILE 139 N 0.72 1.11 -0.26 0.00 2.04 -0.73 -0.72 117.51 119.67 3iqf h ILE 139 Ca 0.10 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3iqf h ILE 139 Cb 0.73 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3iqf h ILE 139 CO 0.06 0.15 0.15 0.22 0.00 0.00 0.00 178.15 178.72 3iqf h TYR 140 N 0.81 0.35 -0.67 1.37 3.20 -0.94 -1.85 116.97 119.24 3iqf h TYR 140 Ca 0.25 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.14 3iqf h TYR 140 Cb -0.02 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 3iqf h TYR 140 CO -0.04 0.28 0.44 -0.91 -1.64 0.00 0.00 178.16 176.29 3iqf h ASN 141 N 0.31 0.71 -0.29 -2.11 4.21 -0.83 0.80 115.58 118.37 3iqf h ASN 141 Ca 0.09 -0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.55 3iqf h ASN 141 Cb 0.04 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 3iqf h ASN 141 CO -0.02 0.49 0.04 0.00 -1.29 0.00 0.00 177.43 176.66 3iqf h ALA 142 N 1.60 0.39 -0.28 -0.83 0.00 -0.74 0.97 119.26 120.37 3iqf h ALA 142 Ca 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iqf h ALA 142 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3iqf h ALA 142 CO -0.07 0.09 0.17 -0.44 0.00 0.00 0.00 179.25 179.00 3iqf h ASP 143 N 0.31 0.34 -0.58 0.00 3.32 -0.98 -1.77 116.42 117.06 3iqf h ASP 143 Ca 0.09 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3iqf h ASP 143 Cb 0.35 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3iqf h ASP 143 CO 0.01 0.28 0.18 0.25 -1.72 0.00 0.00 179.24 178.24 3iqf h LEU 144 N 0.36 0.85 -0.73 1.55 5.85 -0.71 -1.56 115.31 120.91 3iqf h LEU 144 Ca 0.10 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3iqf h LEU 144 Cb 0.01 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3iqf h LEU 144 CO -0.02 0.83 0.47 -0.03 -0.34 0.00 0.00 178.44 179.35 3iqf h MET 145 N 0.82 0.90 -0.42 1.25 4.05 -0.73 -0.52 114.93 120.29 3iqf h MET 145 Ca 0.19 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.58 3iqf h MET 145 Cb 0.28 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 3iqf h MET 145 CO -0.01 0.60 0.23 -0.22 0.23 0.00 0.00 176.91 177.74 3iqf h LYS 146 N 0.93 0.45 0.10 0.39 1.63 -1.01 -0.71 116.57 118.35 3iqf h LYS 146 Ca 0.28 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3iqf h LYS 146 Cb -0.03 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 3iqf h LYS 146 CO -0.09 0.30 -0.09 0.28 -3.45 0.00 0.00 179.45 176.40 3iqf h VAL 147 N 0.46 0.81 -0.39 2.00 2.07 -0.69 0.35 116.25 120.85 3iqf h VAL 147 Ca 0.17 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.62 3iqf h VAL 147 Cb 0.05 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3iqf h VAL 147 CO -0.10 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.35 3iqf h LEU 148 N -0.20 0.64 0.30 2.57 3.38 -0.95 -2.43 115.31 118.62 3iqf h LEU 148 Ca -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3iqf h LEU 148 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3iqf h LEU 148 CO -0.01 0.76 -0.15 0.00 0.09 0.00 0.00 178.44 179.13 3iqf h ALA 149 N 1.31 -0.41 0.00 1.53 0.00 -1.02 -1.42 119.26 119.25 3iqf h ALA 149 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3iqf h ALA 149 Cb 0.49 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3iqf h ALA 149 CO 0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 179.25 178.77 3iqf h ALA 150 N -0.93 1.01 0.00 0.00 0.00 -0.97 -1.77 119.26 116.60 3iqf h ALA 150 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iqf h ALA 150 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3iqf h ALA 150 CO 0.07 0.14 0.00 1.79 0.00 0.00 0.00 179.25 181.25 3iqf h THR 151 N 0.00 0.00 0.00 0.00 1.35 -1.60 -3.44 112.91 109.22 3iqf h THR 151 Ca -0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3iqf h THR 151 Cb 0.66 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3iqf h THR 151 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3iqf n GLY 152 N 1.16 0.80 0.29 5.82 0.00 -0.67 -4.98 105.19 107.62 3iqf n GLY 152 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 1.25 -0.12 1.61 2.07 -1.55 -2.30 116.25 117.20 3iqf h VAL 153 Ca 0.00 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3iqf h VAL 153 Cb 0.00 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3iqf h VAL 153 CO 0.00 0.33 -0.04 -0.26 0.02 0.00 0.00 177.57 177.61 3iqf h PHE 154 N 0.92 0.18 -0.23 1.57 0.05 -1.56 -1.96 116.94 115.90 3iqf h PHE 154 Ca 0.20 -0.01 -0.09 0.00 3.82 0.00 0.00 57.97 61.89 3iqf h PHE 154 Cb 0.30 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.18 3iqf h PHE 154 CO 0.02 0.23 -0.26 -0.09 -0.18 0.00 0.00 178.31 178.03 3iqf h ARG 155 N 0.18 0.44 -0.53 1.51 2.43 -1.71 0.22 114.38 116.91 3iqf h ARG 155 Ca 0.04 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3iqf h ARG 155 Cb 0.20 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3iqf h ARG 155 CO 0.01 0.67 0.26 0.28 -1.51 0.00 0.00 179.97 179.68 3iqf h VAL 156 N 0.39 1.19 -0.16 0.20 2.07 -1.12 -0.52 116.25 118.30 3iqf h VAL 156 Ca 0.06 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3iqf h VAL 156 Cb 0.67 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3iqf h VAL 156 CO 0.05 0.22 -0.12 0.58 0.02 0.00 0.00 177.57 178.32 3iqf h VAL 157 N 0.71 1.33 -0.37 2.57 2.07 -1.04 -1.29 116.25 120.24 3iqf h VAL 157 Ca 0.18 -1.22 0.08 0.00 0.82 0.00 0.00 66.70 66.56 3iqf h VAL 157 Cb 0.11 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 3iqf h VAL 157 CO -0.02 0.36 -0.24 -0.61 0.02 0.00 0.00 177.57 177.08 3iqf h GLN 158 N 0.01 -0.18 -0.56 1.57 4.15 -0.50 -1.99 115.11 117.62 3iqf h GLN 158 Ca 0.03 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 3iqf h GLN 158 Cb 0.62 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 3iqf h GLN 158 CO 0.03 -0.12 0.16 0.93 -1.93 0.00 0.00 178.83 177.90 3iqf h GLU 159 N -0.18 0.85 -0.05 1.69 5.08 -0.92 -0.86 114.58 120.17 3iqf h GLU 159 Ca 0.18 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3iqf h GLU 159 Cb 0.46 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3iqf h GLU 159 CO -0.48 0.74 0.03 0.00 -1.00 0.00 0.00 179.01 178.31 3iqf h ALA 160 N 1.35 0.07 -0.13 3.43 0.00 -0.65 -1.67 119.26 121.66 3iqf h ALA 160 Ca 0.18 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3iqf h ALA 160 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iqf h ALA 160 CO -0.01 -0.39 -0.45 0.74 0.00 0.00 0.00 179.25 179.14 3iqf h PHE 161 N -0.01 0.38 -0.71 0.00 -1.00 -1.18 -2.24 116.94 112.17 3iqf h PHE 161 Ca 0.02 -0.11 -0.06 0.00 2.81 0.00 0.00 57.97 60.63 3iqf h PHE 161 Cb 0.09 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 3iqf h PHE 161 CO -0.04 0.72 0.21 -0.44 -1.61 0.00 0.00 178.31 177.14 3iqf h ASP 162 N 0.26 1.04 -0.51 2.17 3.45 -0.98 0.68 116.42 122.53 3iqf h ASP 162 Ca 0.02 -0.20 -0.00 0.00 0.43 0.00 0.00 57.03 57.28 3iqf h ASP 162 Cb 0.90 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.37 3iqf h ASP 162 CO 0.07 0.98 0.31 -0.33 -1.57 0.00 0.00 179.24 178.70 3iqf h GLU 163 N 1.06 0.68 -0.43 3.56 5.08 -1.15 -1.63 114.58 121.75 3iqf h GLU 163 Ca 0.23 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3iqf h GLU 163 Cb 0.32 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3iqf h GLU 163 CO -0.01 0.49 -0.14 1.25 -1.00 0.00 0.00 179.01 179.60 3iqf h LEU 164 N 0.68 0.80 -0.63 1.33 5.85 -1.00 -2.30 115.31 120.04 3iqf h LEU 164 Ca 0.18 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3iqf h LEU 164 Cb -0.02 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3iqf h LEU 164 CO -0.04 0.95 0.23 0.40 -0.34 0.00 0.00 178.44 179.64 3iqf h ILE 165 N 0.72 1.24 -0.63 4.05 2.04 -0.73 -0.38 117.51 123.82 3iqf h ILE 165 Ca 0.11 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 3iqf h ILE 165 Cb 0.64 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3iqf h ILE 165 CO 0.04 0.30 0.18 -0.33 0.00 0.00 0.00 178.15 178.35 3iqf h GLU 166 N 0.89 0.96 -0.48 2.37 4.39 -1.17 -1.68 114.58 119.85 3iqf h GLU 166 Ca 0.21 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 3iqf h GLU 166 Cb 0.23 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3iqf h GLU 166 CO -0.01 0.83 0.00 0.87 -1.16 0.00 0.00 179.01 179.54 3iqf h LYS 167 N 0.92 0.80 -0.62 2.33 1.79 -1.10 -2.75 116.57 117.94 3iqf h LYS 167 Ca 0.20 -0.21 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3iqf h LYS 167 Cb 0.28 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 3iqf h LYS 167 CO -0.01 0.80 0.41 0.00 -1.08 0.00 0.00 179.45 179.58 3iqf h ALA 168 N 1.26 1.56 0.00 3.86 0.00 -0.53 -2.40 119.26 123.01 3iqf h ALA 168 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iqf h ALA 168 Cb 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3iqf h ALA 168 CO 0.02 0.40 0.00 0.87 0.00 0.00 0.00 179.25 180.54 3iqf h LYS 169 N 0.84 0.00 -1.37 0.00 1.57 -1.01 -2.08 116.57 114.52 3iqf h LYS 169 Ca 0.23 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.42 3iqf h LYS 169 Cb -0.09 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.81 3iqf h LYS 169 CO -0.05 0.00 -0.68 -0.85 -0.57 0.00 0.00 179.45 177.30 3iqf n GLU 170 N -2.39 3.44 0.00 3.15 0.00 -0.90 -4.92 120.64 119.03 3iqf n GLU 170 Ca 0.01 -4.40 0.00 0.00 0.00 0.00 0.00 57.16 52.77 3iqf n GLU 170 Cb 0.17 -2.26 0.00 0.00 0.00 0.00 0.00 31.44 29.35 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 -0.53 0.00 -3.33 -1.84 4.64 -0.78 -4.73 116.55 109.97 3iqf n ASP 171 Ca 0.41 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.48 3iqf n ASP 171 Cb 0.71 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.77 3iqf n ASP 171 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3iqf n GLU 172 N 0.00 2.87 -2.43 -0.67 4.71 -1.25 -4.78 120.64 119.09 3iqf n GLU 172 Ca 0.00 -1.96 -0.40 0.00 -0.01 0.00 0.00 57.16 54.79 3iqf n GLU 172 Cb 0.00 -2.74 -0.03 0.00 -1.01 0.00 0.00 31.44 27.66 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 2.94 3.65 0.43 -3.67 1.01 -1.26 -4.88 121.20 119.42 3iqf s ILE 173 Ca 0.56 0.22 0.06 0.00 0.00 0.00 0.00 60.65 61.49 3iqf s ILE 173 Cb 0.14 -4.69 0.01 0.00 0.01 0.00 0.00 42.46 37.93 3iqf s ILE 173 CO -0.04 -1.63 0.59 -0.94 0.00 0.00 0.00 174.94 172.91 3iqf s SER 174 N 4.95 5.66 0.29 3.58 1.04 -1.26 -4.92 113.70 123.03 3iqf s SER 174 Ca 0.44 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.63 3iqf s SER 174 Cb -0.08 -0.84 0.68 0.00 0.10 0.00 0.00 66.02 65.88 3iqf s SER 174 CO 0.13 -0.76 1.75 -0.33 0.98 0.00 0.00 173.24 175.01 3iqf h GLU 175 N 0.58 0.59 -0.05 4.02 5.08 -1.94 -0.71 114.58 122.15 3iqf h GLU 175 Ca -0.42 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 57.92 3iqf h GLU 175 Cb 1.28 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 3iqf h GLU 175 CO 0.48 0.39 0.06 -0.91 -1.00 0.00 0.00 179.01 178.03 3iqf h ASN 176 N 0.61 0.00 1.41 1.42 2.35 -1.97 -1.97 115.58 117.43 3iqf h ASN 176 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 3iqf h ASN 176 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3iqf h ASN 176 CO -0.42 0.00 -0.47 0.44 -1.65 0.00 0.00 177.43 175.33 3iqf h ASP 177 N 0.00 0.00 -3.31 5.81 3.45 -1.48 -3.47 116.42 117.42 3iqf h ASP 177 Ca 0.03 -0.03 -0.52 0.00 0.43 0.00 0.00 57.03 56.93 3iqf h ASP 177 Cb 0.14 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.95 3iqf h ASP 177 CO -0.00 0.02 0.67 -0.76 -1.57 0.00 0.00 179.24 177.60 3iqf s LEU 178 N -5.45 4.40 0.48 1.55 1.43 -0.74 -4.84 118.68 115.51 3iqf s LEU 178 Ca 0.04 2.40 -0.24 0.00 -1.03 0.00 0.00 54.13 55.30 3iqf s LEU 178 Cb 0.09 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 3iqf s LEU 178 CO 0.72 -0.56 1.41 -2.16 0.23 0.00 0.00 176.35 175.99 3iqf s PRO 179 N 0.11 3.50 -0.47 1.29 0.04 -1.26 -4.85 135.00 133.35 3iqf s PRO 179 Ca 0.58 2.37 0.04 0.00 0.04 0.00 0.00 61.00 64.04 3iqf s PRO 179 Cb -0.37 -2.52 0.17 0.00 0.04 0.00 0.00 34.50 31.82 3iqf s PRO 179 CO 0.37 -0.95 0.37 0.15 0.04 0.00 0.00 177.00 176.98 3iqf s LYS 180 N -2.61 1.24 -0.03 4.56 1.02 -1.22 -0.08 119.74 122.62 3iqf s LYS 180 Ca 0.65 -2.37 0.06 0.00 0.02 0.00 0.00 55.97 54.33 3iqf s LYS 180 Cb -0.43 -1.85 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 3iqf s LYS 180 CO 0.54 -1.36 -0.21 -0.51 -0.92 0.00 0.00 175.35 172.88 3iqf s LEU 181 N -0.26 2.33 -0.17 3.17 1.43 -0.18 -4.98 118.68 120.03 3iqf s LEU 181 Ca 0.31 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3iqf s LEU 181 Cb 0.02 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.84 3iqf s LEU 181 CO -0.19 0.33 -0.14 -0.69 0.23 0.00 0.00 176.35 175.89 3iqf s VAL 182 N -0.66 1.64 -0.18 -1.59 1.01 -1.26 -0.61 120.40 118.75 3iqf s VAL 182 Ca 0.11 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 3iqf s VAL 182 Cb -0.10 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3iqf s VAL 182 CO -0.00 0.38 -0.00 -0.63 0.00 0.00 0.00 175.10 174.84 3iqf s ILE 183 N 1.44 4.05 0.00 2.22 1.01 0.32 -4.92 121.20 125.32 3iqf s ILE 183 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3iqf s ILE 183 Cb -0.14 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.52 3iqf s ILE 183 CO -0.10 0.45 0.00 -0.90 0.00 0.00 0.00 174.94 174.39 3iqf n ASP 184 N 3.90 0.00 -0.27 3.58 5.68 -1.26 -0.83 116.55 127.35 3iqf n ASP 184 Ca -0.17 -0.82 0.02 0.00 -0.50 0.00 0.00 54.79 53.32 3iqf n ASP 184 Cb 0.52 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.60 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 0.01 0.00 0.11 2.43 -1.88 -1.43 114.38 113.62 3iqf h ARG 185 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3iqf h ARG 185 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3iqf h ARG 185 CO 0.00 0.01 0.00 0.09 -1.51 0.00 0.00 179.97 178.56 3iqf n ASN 186 N -5.49 0.61 -0.26 -3.80 3.02 -1.26 -2.54 115.26 105.54 3iqf n ASN 186 Ca 0.11 0.64 0.17 0.00 -0.03 0.00 0.00 54.58 55.47 3iqf n ASN 186 Cb 0.41 -0.78 0.46 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.72 0.00 3.41 2.02 -1.61 -1.67 112.91 115.77 3iqf h THR 187 Ca 0.00 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 3iqf h THR 187 Cb 0.38 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3iqf h THR 187 CO 0.00 0.09 -0.20 -0.07 0.37 0.00 0.00 175.52 175.72 3iqf h LEU 188 N 0.51 0.00 -2.33 2.58 3.38 -1.66 -2.22 115.31 115.57 3iqf h LEU 188 Ca 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 3iqf h LEU 188 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3iqf h LEU 188 CO -0.21 0.20 -0.01 -0.07 0.09 0.00 0.00 178.44 178.44 3iqf h LEU 189 N 0.00 0.00 -2.85 1.67 3.38 -1.51 -2.30 115.31 113.69 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 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3iqf h LEU 189 CO 0.03 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 177.95 3iqf n GLU 190 N -3.14 2.91 -4.61 1.13 1.02 -0.83 -4.98 120.64 112.14 3iqf n GLU 190 Ca -0.02 -2.54 -0.28 0.00 -0.02 0.00 0.00 57.16 54.31 3iqf n GLU 190 Cb 0.17 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 29.95 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 -1.16 1.94 -0.33 3.49 0.52 -0.87 -5.05 118.95 117.49 3iqf s ARG 191 Ca 0.42 -2.12 0.09 0.00 -0.52 0.00 0.00 55.73 53.61 3iqf s ARG 191 Cb 0.23 -1.50 0.46 0.00 0.52 0.00 0.00 34.95 34.66 3iqf s ARG 191 CO 0.27 -0.11 1.14 0.39 0.02 0.00 0.00 175.30 177.00 3iqf n GLU 192 N -0.96 3.14 -0.10 3.54 -0.58 -1.26 -4.84 120.64 119.57 3iqf n GLU 192 Ca -0.06 -4.11 -0.09 0.00 -0.42 0.00 0.00 57.16 52.47 3iqf n GLU 192 Cb 0.67 -2.11 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 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 2.41 0.46 -5.26 3.49 4.57 -1.97 -3.43 114.58 114.87 3iqf h GLU 193 Ca 0.25 -0.05 -0.63 0.00 -1.18 0.00 0.00 59.36 57.75 3iqf h GLU 193 Cb 1.30 -0.09 -0.19 0.00 -0.16 0.00 0.00 28.75 29.61 3iqf h GLU 193 CO 0.69 0.39 -0.61 -0.06 -1.18 0.00 0.00 179.01 178.24 3iqf s PHE 194 N -5.86 3.14 0.14 0.92 0.08 -1.26 -4.60 117.98 110.53 3iqf s PHE 194 Ca -0.13 -0.13 -0.09 0.00 0.12 0.00 0.00 56.93 56.71 3iqf s PHE 194 Cb 0.10 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.45 3iqf s PHE 194 CO 0.72 0.03 1.39 1.49 -0.10 0.00 0.00 175.22 178.75 3iqf h GLU 195 N 6.85 0.70 -5.63 0.44 4.22 -1.83 -3.44 114.58 115.89 3iqf h GLU 195 Ca -0.35 -0.52 -0.59 0.00 0.08 0.00 0.00 59.36 57.99 3iqf h GLU 195 Cb 1.18 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.42 3iqf h GLU 195 CO 0.66 1.14 -0.03 1.21 -2.18 0.00 0.00 179.01 179.81 3iqf s ASN 196 N -7.01 6.63 0.43 1.04 2.47 -1.26 -4.97 114.94 112.27 3iqf s ASN 196 Ca -0.09 0.76 0.17 0.00 0.42 0.00 0.00 52.86 54.12 3iqf s ASN 196 Cb 0.10 -2.31 0.97 0.00 -1.45 0.00 0.00 41.25 38.56 3iqf s ASN 196 CO 0.88 -0.15 1.93 1.55 -3.72 0.00 0.00 177.10 177.58 3iqf h PRO 197 N 7.26 0.00 -0.01 0.43 0.13 -2.00 -2.51 132.00 135.31 3iqf h PRO 197 Ca -0.35 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.63 3iqf h PRO 197 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3iqf h PRO 197 CO 0.75 0.26 -0.70 1.88 -0.23 0.00 0.00 178.00 179.95 3iqf h TYR 198 N 0.00 0.05 -0.48 1.56 0.05 -1.98 -1.67 116.97 114.49 3iqf h TYR 198 Ca -0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3iqf h TYR 198 Cb 0.49 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 3iqf h TYR 198 CO 0.00 0.73 0.27 0.00 -1.05 0.00 0.00 178.16 178.11 3iqf h ALA 199 N 1.27 0.62 -0.53 3.88 0.00 -1.76 0.01 119.26 122.75 3iqf h ALA 199 Ca -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3iqf h ALA 199 Cb 1.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3iqf h ALA 199 CO 0.09 0.13 0.34 1.98 0.00 0.00 0.00 179.25 181.79 3iqf h MET 200 N 0.64 0.67 0.00 0.00 1.85 -1.19 -0.17 114.93 116.73 3iqf h MET 200 Ca 0.17 -0.04 -0.11 0.00 -0.61 0.00 0.00 59.70 59.11 3iqf h MET 200 Cb 0.04 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 3iqf h MET 200 CO -0.03 0.44 -0.54 -0.39 -0.40 0.00 0.00 176.91 175.99 3iqf h VAL 201 N 0.69 1.13 -0.49 -5.77 -1.51 -1.06 0.37 116.25 109.60 3iqf h VAL 201 Ca 0.20 -2.06 -0.11 0.00 -1.23 0.00 0.00 66.70 63.50 3iqf h VAL 201 Cb -0.04 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 3iqf h VAL 201 CO -0.06 0.53 -0.14 0.11 -1.23 0.00 0.00 177.57 176.78 3iqf h LYS 202 N 0.00 0.96 -0.74 5.19 1.57 -0.81 -0.77 116.57 121.96 3iqf h LYS 202 Ca -0.01 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 3iqf h LYS 202 Cb 1.16 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3iqf h LYS 202 CO 0.07 1.04 0.28 0.00 -0.57 0.00 0.00 179.45 180.27 3iqf h ALA 203 N 0.89 0.97 -0.37 3.86 0.00 -0.54 -0.73 119.26 123.32 3iqf h ALA 203 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iqf h ALA 203 Cb 0.70 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3iqf h ALA 203 CO 0.05 0.61 0.24 0.52 0.00 0.00 0.00 179.25 180.67 3iqf h MET 204 N 1.08 0.49 -0.59 0.00 2.86 -0.78 -1.07 114.93 116.92 3iqf h MET 204 Ca 0.24 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 3iqf h MET 204 Cb 0.24 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 3iqf h MET 204 CO -0.02 0.34 0.32 0.00 1.06 0.00 0.00 176.91 178.61 3iqf h ALA 205 N 1.13 0.77 -0.47 6.32 0.00 -0.91 0.35 119.26 126.45 3iqf h ALA 205 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3iqf h ALA 205 Cb -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3iqf h ALA 205 CO -0.03 0.00 0.24 0.00 0.00 0.00 0.00 179.25 179.46 3iqf h ALA 206 N 1.30 0.59 -0.19 0.00 0.00 -0.83 -0.78 119.26 119.35 3iqf h ALA 206 Ca 0.26 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3iqf h ALA 206 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3iqf h ALA 206 CO -0.16 -0.10 -0.25 -0.07 0.00 0.00 0.00 179.25 178.66 3iqf h LEU 207 N 0.48 0.35 -0.14 0.00 3.38 -0.89 -0.69 115.31 117.79 3iqf h LEU 207 Ca 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3iqf h LEU 207 Cb 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3iqf h LEU 207 CO -0.13 0.61 0.02 -0.08 0.09 0.00 0.00 178.44 178.94 3iqf h GLU 208 N 0.31 0.24 -0.46 1.13 4.57 -0.60 -1.61 114.58 118.16 3iqf h GLU 208 Ca 0.05 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3iqf h GLU 208 Cb 0.62 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 3iqf h GLU 208 CO 0.04 0.43 0.22 0.82 -1.18 0.00 0.00 179.01 179.35 3iqf h ILE 209 N 0.02 1.18 -0.33 2.32 2.04 -0.96 -0.30 117.51 121.48 3iqf h ILE 209 Ca 0.04 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.42 3iqf h ILE 209 Cb 0.31 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3iqf h ILE 209 CO 0.00 0.20 0.11 0.00 0.00 0.00 0.00 178.15 178.46 3iqf h ALA 210 N 1.07 0.37 -0.70 1.87 0.00 -1.12 -0.84 119.26 119.90 3iqf h ALA 210 Ca 0.16 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3iqf h ALA 210 Cb 0.12 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3iqf h ALA 210 CO -0.02 -0.29 0.45 1.49 0.00 0.00 0.00 179.25 180.87 3iqf h GLU 211 N 0.24 0.86 0.00 0.00 4.81 -0.96 -2.40 114.58 117.12 3iqf h GLU 211 Ca 0.15 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3iqf h GLU 211 Cb 0.13 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3iqf h GLU 211 CO -0.16 0.57 -0.17 -0.91 -0.73 0.00 0.00 179.01 177.61 3iqf h ASN 212 N 0.88 0.00 -0.87 1.04 2.35 -0.53 -2.80 115.58 115.66 3iqf h ASN 212 Ca 0.28 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.16 3iqf h ASN 212 Cb -0.01 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.28 3iqf h ASN 212 CO -0.10 0.17 0.47 0.58 -1.65 0.00 0.00 177.43 176.90 3iqf h VAL 213 N 0.00 0.79 -0.76 2.81 2.07 -0.63 -2.68 116.25 117.84 3iqf h VAL 213 Ca -0.00 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 67.41 3iqf h VAL 213 Cb 0.32 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 3iqf h VAL 213 CO 0.02 0.13 0.34 0.00 0.02 0.00 0.00 177.57 178.08 3iqf h ALA 214 N 1.54 1.09 -0.11 1.67 0.00 -1.57 -0.67 119.26 121.22 3iqf h ALA 214 Ca 0.46 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.35 3iqf h ALA 214 Cb 0.59 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3iqf h ALA 214 CO -0.33 -0.15 -0.44 -0.44 0.00 0.00 0.00 179.25 177.89 3iqf h ASP 215 N 0.52 0.27 -0.14 0.00 3.45 -1.65 0.18 116.42 119.06 3iqf h ASP 215 Ca 0.41 -0.12 -0.07 0.00 0.43 0.00 0.00 57.03 57.68 3iqf h ASP 215 Cb 0.57 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 3iqf h ASP 215 CO -0.36 0.68 -0.18 0.58 -1.57 0.00 0.00 179.24 178.39 3iqf h VAL 216 N 0.21 1.36 -0.54 -1.35 2.07 -1.17 -1.32 116.25 115.51 3iqf h VAL 216 Ca 0.02 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 66.18 3iqf h VAL 216 Cb 0.87 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 3iqf h VAL 216 CO 0.07 0.41 0.31 0.28 0.02 0.00 0.00 177.57 178.65 3iqf h SER 217 N -0.03 0.48 -0.59 0.57 0.02 -1.05 -0.72 113.55 112.23 3iqf h SER 217 Ca 0.02 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3iqf h SER 217 Cb 0.73 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 3iqf h SER 217 CO 0.04 0.33 0.26 0.58 -1.14 0.00 0.00 176.83 176.91 3iqf h VAL 218 N 0.60 1.22 -0.29 2.27 2.07 -0.93 0.16 116.25 121.35 3iqf h VAL 218 Ca 0.22 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3iqf h VAL 218 Cb 0.06 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3iqf h VAL 218 CO -0.12 0.26 0.15 -0.08 0.02 0.00 0.00 177.57 177.79 3iqf h GLU 219 N 0.81 0.30 0.00 1.57 4.81 -0.87 0.02 114.58 121.23 3iqf h GLU 219 Ca 0.20 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 3iqf h GLU 219 Cb 0.15 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3iqf h GLU 219 CO -0.02 0.20 -0.53 0.78 -0.73 0.00 0.00 179.01 178.71 3iqf h GLY 220 N 0.31 0.00 0.68 1.92 0.00 -0.71 0.10 103.07 105.37 3iqf h GLY 220 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.12 3iqf h GLY 220 CO -0.08 0.00 -1.93 0.00 0.00 0.00 0.00 176.54 174.53 3iqf n PHE 222 N -3.10 0.00 0.00 0.00 3.72 -0.02 -4.90 117.46 113.17 3iqf n PHE 222 Ca -0.24 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.12 3iqf n PHE 222 Cb 1.07 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.60 3iqf n PHE 222 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3iqf n VAL 223 N -1.10 1.29 -2.11 -4.37 0.31 -0.74 -4.99 118.33 106.62 3iqf n VAL 223 Ca 0.00 0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 64.21 3iqf n VAL 223 Cb 0.00 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.07 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 -2.29 4.29 -0.00 5.55 2.56 0.28 -4.91 118.70 124.18 3iqf s GLU 224 Ca -0.10 2.15 0.12 0.00 0.00 0.00 0.00 54.97 57.14 3iqf s GLU 224 Cb 0.01 -3.22 -0.14 0.00 2.00 0.00 0.00 34.13 32.79 3iqf s GLU 224 CO 0.14 -0.48 0.45 1.04 -0.56 0.00 0.00 175.26 175.85 3iqf n GLN 225 N 3.93 2.61 -3.35 4.30 1.13 -1.26 -4.74 117.38 119.98 3iqf n GLN 225 Ca 0.12 -0.02 -0.40 0.00 -1.94 0.00 0.00 57.00 54.75 3iqf n GLN 225 Cb 0.41 -1.10 -0.09 0.00 0.11 0.00 0.00 30.24 29.58 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 -2.35 6.24 0.56 1.08 3.68 -1.26 -4.96 116.67 119.65 3iqf s ASP 226 Ca 0.03 -0.04 0.25 0.00 2.13 0.00 0.00 52.55 54.92 3iqf s ASP 226 Cb 0.09 -2.22 1.62 0.00 -1.45 0.00 0.00 42.92 40.95 3iqf s ASP 226 CO 0.48 -0.34 2.21 0.07 0.13 0.00 0.00 175.17 177.73 3iqf h LYS 227 N 8.38 0.00 0.00 4.34 2.10 -1.97 0.28 116.57 129.70 3iqf h LYS 227 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 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 0.70 0.01 0.00 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 -2.18 114.58 115.54 3iqf h GLU 228 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3iqf h GLU 228 Cb 0.03 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 3iqf h GLU 228 CO 0.00 0.00 -2.29 0.54 -1.00 0.00 0.00 179.01 176.26 3iqf n ARG 229 N -2.98 0.51 0.18 2.33 1.74 0.60 -4.62 116.66 114.42 3iqf n ARG 229 Ca -0.00 0.19 0.04 0.00 -0.77 0.00 0.00 57.85 57.31 3iqf n ARG 229 Cb 0.22 -1.36 0.32 0.00 -1.02 0.00 0.00 32.46 30.61 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 -0.59 0.00 0.19 -1.55 -0.00 -0.59 -2.33 116.97 112.10 3iqf h TYR 230 Ca -0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.16 3iqf h TYR 230 Cb 1.59 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.32 3iqf h TYR 230 CO -0.05 0.42 -0.09 0.28 -0.00 0.00 0.00 178.16 178.72 3iqf h VAL 231 N 0.00 0.91 -0.97 -0.90 2.07 -1.64 -0.65 116.25 115.06 3iqf h VAL 231 Ca -0.00 -0.67 0.12 0.00 0.82 0.00 0.00 66.70 66.96 3iqf h VAL 231 Cb 0.88 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 3iqf h VAL 231 CO 0.05 0.15 0.60 -0.65 0.02 0.00 0.00 177.57 177.75 3iqf h PRO 232 N -0.60 0.93 0.33 1.57 0.11 -1.79 -1.79 132.00 130.77 3iqf h PRO 232 Ca -0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 3iqf h PRO 232 Cb 0.44 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.34 3iqf h PRO 232 CO 0.04 0.62 -0.16 0.82 -0.21 0.00 0.00 178.00 179.11 3iqf h ILE 233 N 0.96 0.68 -0.56 4.15 2.04 -1.17 -0.62 117.51 122.99 3iqf h ILE 233 Ca 0.48 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 66.24 3iqf h ILE 233 Cb 0.47 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3iqf h ILE 233 CO -0.26 0.02 0.27 -0.37 0.00 0.00 0.00 178.15 177.81 3iqf h VAL 234 N -0.49 1.19 -0.23 1.67 -1.51 -0.96 -2.53 116.25 113.40 3iqf h VAL 234 Ca -0.05 -0.52 -0.10 0.00 -1.23 0.00 0.00 66.70 64.81 3iqf h VAL 234 Cb 0.37 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 3iqf h VAL 234 CO 0.07 0.22 -0.27 0.00 -1.23 0.00 0.00 177.57 176.36 3iqf h ALA 235 N 1.51 1.12 -0.16 5.19 0.00 -1.05 -2.43 119.26 123.44 3iqf h ALA 235 Ca 0.20 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3iqf h ALA 235 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iqf h ALA 235 CO -0.03 0.55 -0.25 0.66 0.00 0.00 0.00 179.25 180.19 3iqf h SER 236 N 0.38 0.29 -0.78 0.00 4.64 -0.70 -1.42 113.55 115.96 3iqf h SER 236 Ca 0.05 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 3iqf h SER 236 Cb 0.68 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.65 3iqf h SER 236 CO 0.05 0.54 0.36 0.00 -0.87 0.00 0.00 176.83 176.91 3iqf h ALA 237 N 1.48 1.14 -0.28 5.18 0.00 -1.14 -1.40 119.26 124.24 3iqf h ALA 237 Ca 0.04 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3iqf h ALA 237 Cb 0.58 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3iqf h ALA 237 CO 0.04 0.64 -0.35 0.45 0.00 0.00 0.00 179.25 180.03 3iqf h HIS 238 N 1.13 0.73 -0.67 0.00 3.86 -1.25 -1.63 115.15 117.32 3iqf h HIS 238 Ca 0.27 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3iqf h HIS 238 Cb 0.14 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 3iqf h HIS 238 CO 0.02 0.89 0.38 0.93 0.86 0.00 0.00 177.93 181.00 3iqf h GLU 239 N 0.52 0.92 -0.36 2.45 4.39 -0.77 -1.48 114.58 120.26 3iqf h GLU 239 Ca 0.05 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3iqf h GLU 239 Cb 0.85 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 3iqf h GLU 239 CO 0.07 0.67 0.12 0.52 -1.16 0.00 0.00 179.01 179.23 3iqf h MET 240 N 0.93 0.55 -0.34 2.33 2.86 -0.74 -2.58 114.93 117.93 3iqf h MET 240 Ca 0.24 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 3iqf h MET 240 Cb 0.01 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3iqf h MET 240 CO -0.04 0.55 -0.12 1.98 1.06 0.00 0.00 176.91 180.35 3iqf h MET 241 N 0.43 0.59 -0.69 1.72 1.85 -1.01 -1.03 114.93 116.79 3iqf h MET 241 Ca 0.12 -0.18 0.05 0.00 -0.61 0.00 0.00 59.70 59.08 3iqf h MET 241 Cb 0.23 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.15 3iqf h MET 241 CO -0.01 0.70 0.41 -0.09 -0.40 0.00 0.00 176.91 177.52 3iqf h ARG 242 N 0.54 0.74 -0.03 0.39 2.43 -1.12 -1.57 114.38 115.77 3iqf h ARG 242 Ca 0.10 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.04 3iqf h ARG 242 Cb 0.52 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3iqf h ARG 242 CO 0.03 0.49 -0.78 0.87 -1.51 0.00 0.00 179.97 179.07 3iqf h LYS 243 N 0.76 0.25 -0.73 0.20 1.79 -1.04 -2.47 116.57 115.34 3iqf h LYS 243 Ca 0.30 -0.23 0.03 0.00 -2.18 0.00 0.00 60.65 58.57 3iqf h LYS 243 Cb 0.12 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 3iqf h LYS 243 CO -0.15 0.91 0.45 0.00 -1.08 0.00 0.00 179.45 179.58 3iqf h ALA 244 N 1.02 0.96 -0.93 3.86 0.00 -0.92 -0.73 119.26 122.52 3iqf h ALA 244 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iqf h ALA 244 Cb 1.37 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3iqf h ALA 244 CO 0.12 0.23 0.56 0.00 0.00 0.00 0.00 179.25 180.16 3iqf h ALA 245 N 1.32 1.18 -0.70 0.00 0.00 -1.15 -0.69 119.26 119.21 3iqf h ALA 245 Ca 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 245 Cb 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3iqf h ALA 245 CO -0.12 0.63 0.31 0.93 0.00 0.00 0.00 179.25 181.01 3iqf h GLU 246 N 1.28 1.02 -0.68 0.00 5.08 -0.98 0.11 114.58 120.41 3iqf h GLU 246 Ca 0.33 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3iqf h GLU 246 Cb -0.06 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 3iqf h GLU 246 CO -0.06 0.82 0.31 -0.07 -1.00 0.00 0.00 179.01 179.01 3iqf h LEU 247 N 0.98 0.91 -0.73 1.33 3.38 -0.54 0.27 115.31 120.91 3iqf h LEU 247 Ca 0.24 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3iqf h LEU 247 Cb 0.15 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3iqf h LEU 247 CO -0.03 0.80 0.44 0.00 0.09 0.00 0.00 178.44 179.75 3iqf h ALA 248 N 1.14 0.93 -0.15 1.53 0.00 -0.88 -1.35 119.26 120.48 3iqf h ALA 248 Ca 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3iqf h ALA 248 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3iqf h ALA 248 CO -0.03 0.39 0.09 0.22 0.00 0.00 0.00 179.25 179.93 3iqf h ASP 249 N 0.99 0.18 -0.86 0.00 3.58 -0.63 -1.89 116.42 117.80 3iqf h ASP 249 Ca 0.26 -0.04 0.10 0.00 0.42 0.00 0.00 57.03 57.77 3iqf h ASP 249 Cb -0.04 -0.04 -0.08 0.00 1.72 0.00 0.00 39.33 40.89 3iqf h ASP 249 CO -0.05 0.17 0.50 -0.33 -2.88 0.00 0.00 179.24 176.65 3iqf h GLU 250 N 0.17 0.81 -0.22 0.28 5.08 -0.77 -0.51 114.58 119.43 3iqf h GLU 250 Ca 0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3iqf h GLU 250 Cb 0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3iqf h GLU 250 CO -0.01 0.53 0.09 0.00 -1.00 0.00 0.00 179.01 178.63 3iqf h ALA 251 N 1.47 0.28 -0.63 3.43 0.00 -0.99 -2.28 119.26 120.54 3iqf h ALA 251 Ca 0.42 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3iqf h ALA 251 Cb 0.39 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3iqf h ALA 251 CO -0.25 -0.14 0.20 -0.09 0.00 0.00 0.00 179.25 178.97 3iqf h ARG 252 N 0.21 0.96 -0.17 0.00 2.43 -0.79 -2.27 114.38 114.74 3iqf h ARG 252 Ca 0.07 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 3iqf h ARG 252 Cb 0.15 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3iqf h ARG 252 CO -0.01 0.82 -0.08 0.93 -1.51 0.00 0.00 179.97 180.12 3iqf h GLU 253 N 0.93 0.26 -0.60 0.20 4.39 -1.01 -1.34 114.58 117.41 3iqf h GLU 253 Ca 0.21 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 3iqf h GLU 253 Cb 0.26 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3iqf h GLU 253 CO -0.01 0.35 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.11 3iqf h LEU 254 N 0.25 1.05 -0.53 1.33 3.38 -0.86 -1.71 115.31 118.22 3iqf h LEU 254 Ca 0.05 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3iqf h LEU 254 Cb 0.31 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3iqf h LEU 254 CO 0.02 1.11 0.30 -0.33 0.09 0.00 0.00 178.44 179.62 3iqf h GLU 255 N 0.96 0.73 -0.86 1.13 4.39 -0.94 -2.42 114.58 117.58 3iqf h GLU 255 Ca 0.17 -0.08 0.13 0.00 0.34 0.00 0.00 59.36 59.92 3iqf h GLU 255 Cb 0.58 -0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.00 3iqf h GLU 255 CO 0.03 0.56 0.47 0.87 -1.16 0.00 0.00 179.01 179.78 3iqf h LYS 256 N 0.71 0.68 0.00 2.33 1.57 -1.07 -1.34 116.57 119.45 3iqf h LYS 256 Ca 0.19 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3iqf h LYS 256 Cb 0.03 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3iqf h LYS 256 CO -0.03 0.45 -0.11 0.66 -0.57 0.00 0.00 179.45 179.85 3iqf h SER 257 N 0.70 0.00 -0.64 0.86 4.64 -0.81 -0.90 113.55 117.40 3iqf h SER 257 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3iqf h SER 257 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3iqf h SER 257 CO -0.32 0.11 0.00 0.59 -0.87 0.00 0.00 176.83 176.34 3iqf n ASN 258 N -3.57 3.73 -4.03 4.97 3.02 -0.81 -4.98 115.26 113.58 3iqf n ASN 258 Ca -0.02 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.19 3iqf n ASN 258 Cb 0.24 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 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 1.41 -2.13 -0.77 6.41 2.03 -0.35 -4.89 116.55 118.27 3iqf n ASP 259 Ca 0.22 -1.17 0.02 0.00 0.52 0.00 0.00 54.79 54.38 3iqf n ASP 259 Cb 0.58 -2.32 0.02 0.00 -0.72 0.00 0.00 41.12 38.68 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 -4.61 2.18 -2.11 -1.67 0.00 -0.57 -4.05 120.51 109.68 3iqf n ALA 260 Ca -0.21 -1.59 -0.43 0.00 0.00 0.00 0.00 53.44 51.21 3iqf n ALA 260 Cb 0.63 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.31 3.70 0.12 0.00 1.01 -1.16 -4.62 120.40 119.14 3iqf s VAL 261 Ca 0.14 0.81 -0.31 0.00 0.00 0.00 0.00 61.98 62.61 3iqf s VAL 261 Cb 0.15 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 3iqf s VAL 261 CO -0.05 -0.23 1.42 -0.22 0.00 0.00 0.00 175.10 176.02 3iqf s LEU 262 N 4.86 4.37 -0.06 3.92 2.96 -1.26 -4.27 118.68 129.20 3iqf s LEU 262 Ca 0.71 2.36 0.02 0.00 -0.22 0.00 0.00 54.13 57.01 3iqf s LEU 262 Cb -0.27 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.85 3iqf s LEU 262 CO 0.28 -0.68 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.38 3iqf s ARG 263 N 1.15 1.72 -0.53 1.98 0.52 -0.59 -5.02 118.95 118.18 3iqf s ARG 263 Ca 0.65 -0.44 0.07 0.00 -0.52 0.00 0.00 55.73 55.49 3iqf s ARG 263 Cb -0.38 -1.42 0.25 0.00 0.52 0.00 0.00 34.95 33.92 3iqf s ARG 263 CO 0.30 0.05 0.65 0.25 0.02 0.00 0.00 175.30 176.58 3iqf n THR 264 N 3.73 1.03 -2.01 0.02 -2.24 -1.26 -1.21 114.28 112.35 3iqf n THR 264 Ca -0.22 -4.70 -0.32 0.00 -2.27 0.00 0.00 64.05 56.54 3iqf n THR 264 Cb 0.52 -2.01 0.01 0.00 -2.10 0.00 0.00 70.33 66.74 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 -1.93 3.43 0.17 -0.78 0.04 -1.23 -4.61 135.00 130.08 3iqf s PRO 265 Ca 0.38 1.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.18 3iqf s PRO 265 Cb 0.16 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 3iqf s PRO 265 CO -0.06 -0.70 0.79 -1.01 0.04 0.00 0.00 177.00 176.06 3iqf s HIS 266 N -2.73 3.91 0.73 0.56 3.76 -1.26 -0.20 115.29 120.06 3iqf s HIS 266 Ca 0.60 1.65 -0.11 0.00 -0.15 0.00 0.00 55.06 57.05 3iqf s HIS 266 Cb -0.13 -2.78 0.03 0.00 1.11 0.00 0.00 32.58 30.81 3iqf s HIS 266 CO 0.42 0.51 1.09 0.00 -0.85 0.00 0.00 174.74 175.90 3iqf s ALA 267 N -1.13 2.64 0.48 -1.40 0.00 0.76 -4.92 121.76 118.20 3iqf s ALA 267 Ca 0.36 -0.22 0.22 0.00 0.00 0.00 0.00 51.96 52.32 3iqf s ALA 267 Cb -0.23 -3.08 1.25 0.00 0.00 0.00 0.00 23.12 21.06 3iqf s ALA 267 CO 0.27 -1.34 1.95 -1.35 0.00 0.00 0.00 175.76 175.28 3iqf h PRO 268 N -0.80 0.19 -0.13 0.00 0.11 -1.89 0.21 132.00 129.69 3iqf h PRO 268 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3iqf h PRO 268 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iqf h PRO 268 CO 0.61 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3iqf n ASP 269 N -4.41 0.97 0.00 -2.05 5.75 -1.26 -0.02 116.55 115.52 3iqf n ASP 269 Ca 0.13 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.18 3iqf n ASP 269 Cb 0.62 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3iqf n ASP 269 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iqf n GLY 270 N 0.92 2.51 3.71 6.12 0.00 0.06 -4.76 105.19 113.75 3iqf n GLY 270 Ca 0.12 0.00 -0.43 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 2.29 -3.06 1.61 4.81 -1.26 -4.61 118.16 115.95 3iqf n LYS 271 Ca 0.00 0.81 -0.41 0.00 -0.87 0.00 0.00 58.31 57.84 3iqf n LYS 271 Cb 0.00 -2.47 -0.06 0.00 0.02 0.00 0.00 35.03 32.52 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 -0.67 4.94 0.62 3.15 1.01 -1.26 -0.17 120.40 128.02 3iqf s VAL 272 Ca 0.59 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.81 3iqf s VAL 272 Cb -0.56 -3.99 0.09 0.00 0.00 0.00 0.00 36.38 31.92 3iqf s VAL 272 CO 0.57 -0.02 0.86 -0.76 0.00 0.00 0.00 175.10 175.75 3iqf s LEU 273 N 2.60 3.13 -0.12 3.92 1.43 0.72 -4.97 118.68 125.38 3iqf s LEU 273 Ca 0.28 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 3iqf s LEU 273 Cb -0.15 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.01 3iqf s LEU 273 CO 0.09 -1.49 0.38 -0.55 0.23 0.00 0.00 176.35 175.00 3iqf s SER 274 N -4.63 -0.37 0.19 2.29 0.15 -1.26 -3.57 113.70 106.50 3iqf s SER 274 Ca 0.62 0.66 -0.20 0.00 0.70 0.00 0.00 55.95 57.74 3iqf s SER 274 Cb -0.07 0.70 0.04 0.00 -1.71 0.00 0.00 66.02 64.99 3iqf s SER 274 CO 0.41 -0.19 0.57 -1.59 1.20 0.00 0.00 173.24 173.64 3iqf s LYS 275 N -0.05 1.37 0.00 5.44 -2.85 -0.35 -1.48 119.74 121.83 3iqf s LYS 275 Ca -0.02 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 3iqf s LYS 275 Cb -0.03 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 3iqf s LYS 275 CO 0.01 -0.59 0.00 0.54 0.10 0.00 0.00 175.35 175.41 3iqf n ARG 276 N -0.36 0.00 -2.55 1.78 5.12 -1.26 -1.55 116.66 117.84 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 -0.57 -0.05 0.00 -1.16 0.00 0.00 32.46 31.32 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 -1.93 4.67 0.25 5.56 1.02 -1.26 -2.97 119.74 125.07 3iqf s LYS 277 Ca 0.00 1.70 -0.04 0.00 0.02 0.00 0.00 55.97 57.64 3iqf s LYS 277 Cb 0.00 -3.25 0.39 0.00 -0.52 0.00 0.00 37.83 34.45 3iqf s LYS 277 CO 0.00 0.22 1.82 0.35 -0.92 0.00 0.00 175.35 176.83 3iqf h PHE 278 N 4.44 0.92 -0.16 3.18 3.04 -1.91 -1.96 116.94 124.48 3iqf h PHE 278 Ca -0.45 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.53 3iqf h PHE 278 Cb 1.21 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.43 3iqf h PHE 278 CO 0.61 0.40 0.00 -1.33 -2.02 0.00 0.00 178.31 175.97 3iqf n MET 279 N -4.70 1.90 -2.97 1.11 2.81 -1.26 -4.89 117.12 109.12 3iqf n MET 279 Ca 0.14 -1.34 -0.40 0.00 -1.81 0.00 0.00 57.70 54.29 3iqf n MET 279 Cb 0.25 -1.44 -0.05 0.00 -0.71 0.00 0.00 33.22 31.28 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 -1.80 4.51 0.25 0.03 2.12 -0.74 -5.04 118.70 118.04 3iqf s GLU 280 Ca 0.34 1.10 -0.30 0.00 0.36 0.00 0.00 54.97 56.47 3iqf s GLU 280 Cb 0.19 -3.35 -0.09 0.00 0.26 0.00 0.00 34.13 31.14 3iqf s GLU 280 CO 0.29 0.32 1.32 -0.51 -0.54 0.00 0.00 175.26 176.14 3iqf s ASP 281 N -0.22 6.85 0.33 -1.70 1.01 -1.26 -4.88 116.67 116.80 3iqf s ASP 281 Ca 0.38 2.52 -0.28 0.00 0.71 0.00 0.00 52.55 55.89 3iqf s ASP 281 Cb -0.21 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.00 3iqf s ASP 281 CO 0.24 -0.53 1.19 -2.16 0.21 0.00 0.00 175.17 174.12 3iqf s PRO 282 N -0.75 4.38 0.00 8.23 0.04 -1.26 -4.83 135.00 140.80 3iqf s PRO 282 Ca 0.54 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3iqf s PRO 282 Cb -0.38 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.16 3iqf s PRO 282 CO 0.44 -0.07 0.00 0.39 0.04 0.00 0.00 177.00 177.79