#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 3.18 0.17 1.08 1.01 -1.26 -4.65 120.40 119.93 3iqf s VAL 3 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 3iqf s VAL 3 Cb 0.00 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 3iqf s VAL 3 CO 0.00 0.28 0.90 0.00 0.00 0.00 0.00 175.10 176.29 3iqf s ALA 4 N 1.41 3.33 -0.03 5.51 0.00 0.87 -4.90 121.76 127.95 3iqf s ALA 4 Ca 0.03 0.53 0.07 0.00 0.00 0.00 0.00 51.96 52.60 3iqf s ALA 4 Cb -0.16 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 3iqf s ALA 4 CO -0.03 0.14 -0.25 0.15 0.00 0.00 0.00 175.76 175.77 3iqf s LYS 5 N -0.73 2.18 0.00 0.00 1.02 -1.26 -1.16 119.74 119.79 3iqf s LYS 5 Ca 0.42 -0.90 -0.08 0.00 0.02 0.00 0.00 55.97 55.42 3iqf s LYS 5 Cb -0.24 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 3iqf s LYS 5 CO 0.30 0.50 0.16 0.00 -0.92 0.00 0.00 175.35 175.39 3iqf s ALA 6 N -0.48 -0.37 -0.12 5.17 0.00 -1.02 0.28 121.76 125.22 3iqf s ALA 6 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 3iqf s ALA 6 Cb -0.11 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3iqf s ALA 6 CO 0.00 -0.23 -0.07 0.42 0.00 0.00 0.00 175.76 175.89 3iqf s ILE 7 N -1.49 3.66 -0.16 0.00 1.01 -1.08 -2.04 121.20 121.09 3iqf s ILE 7 Ca -0.14 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 3iqf s ILE 7 Cb -0.07 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 3iqf s ILE 7 CO 0.01 0.54 -0.00 -0.36 0.00 0.00 0.00 174.94 175.13 3iqf s PHE 8 N -0.06 3.10 -0.14 3.97 0.40 0.01 0.04 117.98 125.31 3iqf s PHE 8 Ca 0.00 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 3iqf s PHE 8 Cb -0.13 -1.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.40 3iqf s PHE 8 CO 0.03 0.05 -0.15 0.42 0.70 0.00 0.00 175.22 176.27 3iqf s ILE 9 N 0.31 2.82 -0.23 0.64 1.01 0.14 -0.94 121.20 124.95 3iqf s ILE 9 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3iqf s ILE 9 Cb -0.13 -2.18 0.06 0.00 0.01 0.00 0.00 42.46 40.22 3iqf s ILE 9 CO 0.02 0.52 -0.04 -0.54 0.00 0.00 0.00 174.94 174.91 3iqf s LYS 10 N 0.53 1.45 -0.09 2.79 1.02 -0.36 -0.26 119.74 124.82 3iqf s LYS 10 Ca -0.10 -0.91 0.02 0.00 0.02 0.00 0.00 55.97 55.00 3iqf s LYS 10 Cb -0.16 -2.51 0.02 0.00 -0.52 0.00 0.00 37.83 34.66 3iqf s LYS 10 CO 0.04 -0.62 -0.13 0.00 -0.92 0.00 0.00 175.35 173.72 3iqf n GLY 12 N 4.17 -1.88 2.80 0.00 0.00 0.05 -4.24 105.19 106.08 3iqf n GLY 12 Ca -0.19 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 3iqf n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iqf s ASN 13 N -3.87 0.18 0.16 1.61 2.47 -1.26 -4.67 114.94 109.56 3iqf s ASN 13 Ca 0.00 0.12 0.09 0.00 0.42 0.00 0.00 52.86 53.49 3iqf s ASN 13 Cb 0.00 -0.00 -0.04 0.00 -1.45 0.00 0.00 41.25 39.76 3iqf s ASN 13 CO 0.00 -0.15 -0.19 -0.76 -3.72 0.00 0.00 177.10 172.27 3iqf s LEU 14 N 1.28 2.42 0.26 3.21 1.02 -1.26 -4.59 118.68 121.01 3iqf s LEU 14 Ca -0.07 -0.84 -0.03 0.00 0.02 0.00 0.00 54.13 53.22 3iqf s LEU 14 Cb -0.13 -0.88 0.43 0.00 0.02 0.00 0.00 46.19 45.63 3iqf s LEU 14 CO -0.04 -0.00 1.84 1.23 0.02 0.00 0.00 176.35 179.40 3iqf h GLY 15 N 3.36 1.42 1.26 -3.19 0.00 -1.94 -1.51 103.07 102.47 3iqf h GLY 15 Ca -0.43 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 46.32 3iqf h GLY 15 CO 0.49 0.20 -0.63 -0.84 0.00 0.00 0.00 176.54 175.76 3iqf h THR 16 N 0.95 1.29 -0.02 4.70 2.02 -1.96 -3.10 112.91 116.79 3iqf h THR 16 Ca 0.43 -1.84 -0.12 0.00 0.77 0.00 0.00 66.41 65.64 3iqf h THR 16 Cb 0.32 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 3iqf h THR 16 CO -0.22 0.59 -0.54 0.77 0.37 0.00 0.00 175.52 176.49 3iqf h SER 17 N 0.56 0.07 -0.42 4.18 4.64 -1.86 -1.15 113.55 119.56 3iqf h SER 17 Ca -0.01 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3iqf h SER 17 Cb 1.23 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 3iqf h SER 17 CO 0.13 0.59 0.04 -0.03 -0.87 0.00 0.00 176.83 176.69 3iqf h MET 18 N 0.05 0.80 0.00 4.77 -1.53 -1.23 -3.28 114.93 114.50 3iqf h MET 18 Ca -0.00 -0.20 0.00 0.00 -3.44 0.00 0.00 59.70 56.06 3iqf h MET 18 Cb 0.96 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.91 3iqf h MET 18 CO 0.07 0.78 -0.94 -1.33 0.14 0.00 0.00 176.91 175.63 3iqf n MET 19 N -4.23 1.27 -0.12 0.39 2.81 -1.13 -4.78 117.12 111.33 3iqf n MET 19 Ca 0.03 -0.02 -0.05 0.00 -1.81 0.00 0.00 57.70 55.85 3iqf n MET 19 Cb 0.28 -1.32 0.01 0.00 -0.71 0.00 0.00 33.22 31.48 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 -0.01 -0.53 0.03 -0.00 -1.28 -0.73 114.93 112.42 3iqf h MET 20 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.62 3iqf h MET 20 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.04 3iqf h MET 20 CO 0.00 -0.00 -0.00 0.38 -0.00 0.00 0.00 176.91 177.28 3iqf h ASP 21 N -0.01 0.87 0.57 -0.10 2.03 -1.86 -3.24 116.42 114.69 3iqf h ASP 21 Ca 0.19 -0.23 -0.10 0.00 -0.73 0.00 0.00 57.03 56.16 3iqf h ASP 21 Cb 0.30 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.55 3iqf h ASP 21 CO -0.42 0.93 -0.50 0.24 -1.03 0.00 0.00 179.24 178.47 3iqf h MET 22 N 0.83 0.00 0.00 4.15 2.86 -1.49 -2.28 114.93 119.00 3iqf h MET 22 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3iqf h MET 22 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3iqf h MET 22 CO 0.02 0.50 0.00 -0.07 1.06 0.00 0.00 176.91 178.42 3iqf h LEU 23 N 0.00 0.00 0.00 1.22 3.38 -1.34 -2.68 115.31 115.89 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 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3iqf h LEU 23 CO 0.06 0.00 -0.77 0.18 0.09 0.00 0.00 178.44 178.00 3iqf n LEU 24 N -2.37 0.63 -2.89 1.67 4.77 -0.86 -4.62 117.00 113.34 3iqf n LEU 24 Ca 0.00 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 3iqf n LEU 24 Cb 0.15 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3iqf n LEU 24 CO 0.16 0.09 0.09 -0.67 -1.33 0.00 0.00 177.39 175.73 3iqf n ASP 25 N -1.73 -1.67 0.32 -1.43 2.03 -1.02 -4.98 116.55 108.07 3iqf n ASP 25 Ca 0.04 -3.27 0.20 0.00 0.52 0.00 0.00 54.79 52.28 3iqf n ASP 25 Cb 0.38 1.07 1.05 0.00 -0.72 0.00 0.00 41.12 42.90 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 3.58 0.00 0.00 -0.67 9.09 -1.80 -0.89 114.58 123.90 3iqf h GLU 26 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 3iqf h GLU 26 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.11 3iqf h GLU 26 CO 0.32 0.01 -0.00 0.54 0.05 0.00 0.00 179.01 179.93 3iqf n ARG 27 N -3.23 2.71 -2.60 1.06 1.74 -1.26 -5.00 116.66 110.08 3iqf n ARG 27 Ca -0.02 -1.58 -0.18 0.00 -0.77 0.00 0.00 57.85 55.30 3iqf n ARG 27 Cb 0.13 -1.03 -0.00 0.00 -1.02 0.00 0.00 32.46 30.53 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 -0.58 -0.78 0.20 7.54 0.00 -0.34 -4.87 120.51 121.69 3iqf n ALA 28 Ca 0.02 0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.65 3iqf n ALA 28 Cb 0.30 -2.24 0.07 0.00 0.00 0.00 0.00 19.45 17.58 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 -2.04 2.12 -4.70 0.00 5.68 -1.26 -4.98 116.55 111.37 3iqf n ASP 29 Ca -0.17 -1.60 -0.42 0.00 -0.50 0.00 0.00 54.79 52.10 3iqf n ASP 29 Cb 0.63 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.52 3iqf n ASP 29 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3iqf s ARG 30 N -0.85 4.27 0.00 0.11 0.52 -1.26 -4.40 118.95 117.34 3iqf s ARG 30 Ca 0.14 2.13 0.23 0.00 -0.52 0.00 0.00 55.73 57.71 3iqf s ARG 30 Cb 0.08 -3.40 0.09 0.00 0.52 0.00 0.00 34.95 32.24 3iqf s ARG 30 CO 0.12 -0.56 1.16 0.39 0.02 0.00 0.00 175.30 176.44 3iqf n GLU 31 N 4.67 1.75 -0.14 3.54 1.02 0.96 -4.32 120.64 128.11 3iqf n GLU 31 Ca 0.13 -1.44 0.09 0.00 -0.02 0.00 0.00 57.16 55.92 3iqf n GLU 31 Cb 0.42 -1.46 0.16 0.00 -0.02 0.00 0.00 31.44 30.53 3iqf n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3iqf n ASP 32 N 0.63 2.98 -4.19 1.62 3.85 -1.25 -4.79 116.55 115.39 3iqf n ASP 32 Ca 0.11 -1.87 -0.17 0.00 -0.71 0.00 0.00 54.79 52.15 3iqf n ASP 32 Cb 0.53 -0.19 -0.11 0.00 -1.35 0.00 0.00 41.12 40.00 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 -1.23 1.12 -0.11 2.12 -7.23 -1.26 -0.09 120.40 113.72 3iqf s VAL 33 Ca 0.29 -1.50 -0.06 0.00 -1.81 0.00 0.00 61.98 58.90 3iqf s VAL 33 Cb 0.17 -1.26 0.05 0.00 0.56 0.00 0.00 36.38 35.89 3iqf s VAL 33 CO 0.24 -0.37 0.26 -0.70 -0.31 0.00 0.00 175.10 174.22 3iqf s GLU 34 N -2.26 0.23 0.11 4.82 2.12 -0.31 -4.90 118.70 118.51 3iqf s GLU 34 Ca 0.03 0.54 0.09 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 0.02 -0.15 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.30 3iqf s PHE 35 N 1.19 1.95 0.09 5.30 2.99 -1.26 -2.42 117.98 125.83 3iqf s PHE 35 Ca -0.09 -0.40 0.10 0.00 0.00 0.00 0.00 56.93 56.54 3iqf s PHE 35 Cb -0.10 -1.07 -0.04 0.00 0.00 0.00 0.00 43.02 41.82 3iqf s PHE 35 CO -0.08 0.24 -0.26 1.03 -0.00 0.00 0.00 175.22 176.14 3iqf s ARG 36 N -1.91 1.54 -0.06 0.44 1.81 -0.87 -5.00 118.95 114.90 3iqf s ARG 36 Ca 0.09 -1.24 0.02 0.00 -1.72 0.00 0.00 55.73 52.88 3iqf s ARG 36 Cb -0.10 -1.89 0.02 0.00 -0.45 0.00 0.00 34.95 32.52 3iqf s ARG 36 CO 0.05 0.47 -0.09 0.08 -0.68 0.00 0.00 175.30 175.12 3iqf s VAL 37 N -0.96 0.94 0.09 3.52 1.01 -1.26 -0.81 120.40 122.93 3iqf s VAL 37 Ca 0.13 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3iqf s VAL 37 Cb -0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3iqf s VAL 37 CO 0.04 0.32 -0.06 0.68 0.00 0.00 0.00 175.10 176.07 3iqf s VAL 38 N 0.85 0.65 0.00 2.92 -7.23 -0.12 -4.97 120.40 112.51 3iqf s VAL 38 Ca -0.12 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3iqf s VAL 38 Cb -0.15 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.19 3iqf s VAL 38 CO 0.01 -0.85 0.00 0.61 -0.31 0.00 0.00 175.10 174.57 3iqf n GLY 39 N 0.07 -0.82 0.94 2.32 0.00 -1.26 -1.22 105.19 105.23 3iqf n GLY 39 Ca -0.13 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.20 2.39 -2.91 2.61 -2.24 -1.11 -4.95 114.28 107.87 3iqf n THR 40 Ca 0.00 -3.11 0.00 0.00 -2.27 0.00 0.00 64.05 58.67 3iqf n THR 40 Cb 0.00 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 3iqf n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iqf n SER 41 N -1.10 0.00 0.12 3.42 2.88 -1.26 -3.04 113.62 114.65 3iqf n SER 41 Ca 0.27 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.94 3iqf n SER 41 Cb 0.85 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.73 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 -3.31 2.46 -1.51 -1.91 0.18 116.25 112.15 3iqf h VAL 42 Ca 0.00 -0.46 -0.56 0.00 -1.23 0.00 0.00 66.70 64.46 3iqf h VAL 42 Cb 0.00 1.40 -0.04 0.00 -2.13 0.00 0.00 31.29 30.52 3iqf h VAL 42 CO 0.00 0.00 0.45 -0.54 -1.23 0.00 0.00 177.57 176.25 3iqf s LYS 43 N -3.16 4.44 -0.03 5.19 1.02 -1.17 -3.40 119.74 122.64 3iqf s LYS 43 Ca 0.09 1.30 0.14 0.00 0.02 0.00 0.00 55.97 57.52 3iqf s LYS 43 Cb 0.11 -3.52 0.26 0.00 -0.52 0.00 0.00 37.83 34.16 3iqf s LYS 43 CO 0.56 -0.21 1.11 0.00 -0.92 0.00 0.00 175.35 175.88 3iqf n MET 44 N 4.64 0.21 -1.24 1.68 0.00 -1.26 -3.95 117.12 117.20 3iqf n MET 44 Ca 0.06 -1.76 -0.32 0.00 0.00 0.00 0.00 57.70 55.68 3iqf n MET 44 Cb 0.50 -0.42 0.10 0.00 0.00 0.00 0.00 33.22 33.40 3iqf n MET 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3iqf s ASP 45 N -1.78 4.13 0.27 3.17 -4.77 -1.26 -3.86 116.67 112.57 3iqf s ASP 45 Ca 0.21 2.07 -0.02 0.00 -3.30 0.00 0.00 52.55 51.51 3iqf s ASP 45 Cb 0.23 -2.55 0.59 0.00 -1.09 0.00 0.00 42.92 40.10 3iqf s ASP 45 CO -0.08 -2.29 1.65 -0.65 0.70 0.00 0.00 175.17 174.49 3iqf h PRO 46 N -0.94 0.18 -0.51 2.11 0.11 -1.86 -1.41 132.00 129.69 3iqf h PRO 46 Ca -0.45 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3iqf h PRO 46 Cb 1.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3iqf h PRO 46 CO 0.49 0.12 -0.12 1.49 -0.21 0.00 0.00 178.00 179.77 3iqf h GLU 47 N 0.19 0.96 -0.14 1.05 4.57 -1.96 -0.24 114.58 119.01 3iqf h GLU 47 Ca 0.49 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3iqf h GLU 47 Cb 0.93 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 3iqf h GLU 47 CO -0.64 1.01 0.04 0.00 -1.18 0.00 0.00 179.01 178.24 3iqf h VAL 49 N 0.03 1.24 -0.08 0.00 2.07 -1.09 0.05 116.25 118.48 3iqf h VAL 49 Ca 0.04 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.83 3iqf h VAL 49 Cb 0.24 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3iqf h VAL 49 CO -0.00 0.31 -0.11 -0.08 0.02 0.00 0.00 177.57 177.71 3iqf h GLU 50 N 1.00 -0.14 -0.92 1.57 4.81 -1.02 0.27 114.58 120.14 3iqf h GLU 50 Ca 0.23 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.59 3iqf h GLU 50 Cb 0.20 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.53 3iqf h GLU 50 CO -0.02 -0.10 0.55 0.00 -0.73 0.00 0.00 179.01 178.71 3iqf h ALA 51 N 0.89 1.37 0.01 2.92 0.00 -0.86 0.14 119.26 123.73 3iqf h ALA 51 Ca 0.07 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iqf h ALA 51 Cb 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3iqf h ALA 51 CO -0.17 0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.20 3iqf h ALA 52 N 1.52 -0.02 -0.62 0.00 0.00 -0.03 -1.66 119.26 118.45 3iqf h ALA 52 Ca 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3iqf h ALA 52 Cb 0.49 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3iqf h ALA 52 CO -0.28 -0.37 0.32 0.28 0.00 0.00 0.00 179.25 179.20 3iqf h VAL 53 N -0.29 1.20 -0.56 0.00 2.07 -0.16 -2.35 116.25 116.15 3iqf h VAL 53 Ca -0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3iqf h VAL 53 Cb 0.28 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3iqf h VAL 53 CO 0.00 0.22 0.36 -0.33 0.02 0.00 0.00 177.57 177.85 3iqf h GLU 54 N 0.87 0.75 -0.73 1.57 5.08 -0.50 -0.29 114.58 121.32 3iqf h GLU 54 Ca 0.22 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 3iqf h GLU 54 Cb 0.06 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 3iqf h GLU 54 CO -0.03 0.51 0.43 0.52 -1.00 0.00 0.00 179.01 179.43 3iqf h MET 55 N 0.76 0.77 0.27 2.33 2.86 -0.89 0.63 114.93 121.66 3iqf h MET 55 Ca 0.20 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3iqf h MET 55 Cb -0.07 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.42 3iqf h MET 55 CO -0.04 0.51 -0.13 0.00 1.06 0.00 0.00 176.91 178.30 3iqf h ALA 56 N 1.36 -0.36 -0.48 6.32 0.00 -1.05 -1.46 119.26 123.60 3iqf h ALA 56 Ca 0.32 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 56 Cb 0.16 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3iqf h ALA 56 CO -0.17 -0.71 -0.02 -0.07 0.00 0.00 0.00 179.25 178.29 3iqf h LEU 57 N -0.37 0.84 -0.55 0.00 3.38 -0.76 0.12 115.31 117.97 3iqf h LEU 57 Ca -0.03 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.70 3iqf h LEU 57 Cb 0.28 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 3iqf h LEU 57 CO 0.05 0.95 -0.48 -0.78 0.09 0.00 0.00 178.44 178.27 3iqf h ASP 58 N 0.71 -1.65 -0.37 -0.43 3.58 -0.90 -2.36 116.42 114.99 3iqf h ASP 58 Ca 0.13 0.25 -0.08 0.00 0.42 0.00 0.00 57.03 57.76 3iqf h ASP 58 Cb 0.53 0.72 -0.02 0.00 1.72 0.00 0.00 39.33 42.28 3iqf h ASP 58 CO 0.03 -0.35 -0.02 0.40 -2.88 0.00 0.00 179.24 176.41 3iqf h ILE 59 N -0.27 1.24 -0.94 2.25 2.04 -0.87 -3.14 117.51 117.83 3iqf h ILE 59 Ca 0.14 -1.02 0.16 0.00 1.00 0.00 0.00 64.86 65.15 3iqf h ILE 59 Cb 0.57 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 3iqf h ILE 59 CO -0.67 0.36 0.60 0.00 0.00 0.00 0.00 178.15 178.43 3iqf h ALA 60 N 1.26 1.83 -0.36 1.87 0.00 -0.26 0.50 119.26 124.10 3iqf h ALA 60 Ca 0.14 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3iqf h ALA 60 Cb 0.47 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3iqf h ALA 60 CO 0.02 -0.11 0.05 1.49 0.00 0.00 0.00 179.25 180.71 3iqf h GLU 61 N 0.69 0.17 0.16 0.00 4.81 -1.42 -0.20 114.58 118.79 3iqf h GLU 61 Ca 0.49 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 59.41 3iqf h GLU 61 Cb 0.82 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.18 3iqf h GLU 61 CO -0.25 0.11 -1.37 -0.44 -0.73 0.00 0.00 179.01 176.33 3iqf h ASP 62 N 0.17 0.53 0.66 1.04 3.32 -1.67 -3.39 116.42 117.08 3iqf h ASP 62 Ca 0.17 -0.60 -0.21 0.00 0.02 0.00 0.00 57.03 56.42 3iqf h ASP 62 Cb 0.21 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3iqf h ASP 62 CO -0.24 1.47 -0.94 0.15 -1.72 0.00 0.00 179.24 177.96 3iqf h PHE 63 N 0.09 0.26 -5.31 4.55 3.57 -0.66 -3.48 116.94 115.96 3iqf h PHE 63 Ca -0.19 -0.16 -0.17 0.00 3.53 0.00 0.00 57.97 60.98 3iqf h PHE 63 Cb 2.04 -0.02 0.14 0.00 2.79 0.00 0.00 35.95 40.89 3iqf h PHE 63 CO 0.08 1.01 -0.59 0.39 -2.23 0.00 0.00 178.31 176.97 3iqf n GLU 64 N -3.59 -1.89 -1.95 1.11 1.02 -0.11 -4.96 120.64 110.26 3iqf n GLU 64 Ca -0.04 1.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.78 3iqf n GLU 64 Cb 0.85 -5.61 0.02 0.00 -0.02 0.00 0.00 31.44 26.68 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 -3.95 3.30 0.11 3.49 0.04 -1.26 -4.78 135.00 131.95 3iqf s PRO 65 Ca 0.32 1.09 0.05 0.00 0.04 0.00 0.00 61.00 62.50 3iqf s PRO 65 Cb -0.04 -2.04 -0.22 0.00 0.04 0.00 0.00 34.50 32.24 3iqf s PRO 65 CO 0.71 -0.82 1.24 -0.44 0.04 0.00 0.00 177.00 177.73 3iqf h ASP 66 N 0.16 0.07 -5.15 6.66 3.32 -0.54 -3.48 116.42 117.45 3iqf h ASP 66 Ca -0.46 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 3iqf h ASP 66 Cb 1.21 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.65 3iqf h ASP 66 CO 0.58 1.06 -0.04 0.72 -1.72 0.00 0.00 179.24 179.84 3iqf s PHE 67 N -2.70 0.12 -0.03 4.55 -0.12 -1.21 -4.32 117.98 114.27 3iqf s PHE 67 Ca -0.00 -0.49 0.05 0.00 -0.05 0.00 0.00 56.93 56.45 3iqf s PHE 67 Cb 0.09 0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 42.78 3iqf s PHE 67 CO 0.83 -0.98 -0.20 0.42 -0.05 0.00 0.00 175.22 175.25 3iqf s ILE 68 N -3.95 1.60 -0.13 -4.49 1.01 0.10 -2.64 121.20 112.70 3iqf s ILE 68 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.97 3iqf s ILE 68 Cb -0.01 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 3iqf s ILE 68 CO 0.04 0.45 -0.15 -0.69 0.00 0.00 0.00 174.94 174.59 3iqf s VAL 69 N -0.23 2.85 -0.17 2.92 1.01 0.11 -1.64 120.40 125.25 3iqf s VAL 69 Ca 0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3iqf s VAL 69 Cb -0.10 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3iqf s VAL 69 CO 0.01 0.52 -0.04 -0.47 0.00 0.00 0.00 175.10 175.13 3iqf s TYR 70 N 0.46 3.01 -0.06 5.22 6.14 -0.44 0.23 117.35 131.91 3iqf s TYR 70 Ca -0.11 -0.42 0.03 0.00 0.64 0.00 0.00 57.07 57.22 3iqf s TYR 70 Cb -0.16 -1.99 0.01 0.00 0.42 0.00 0.00 41.96 40.24 3iqf s TYR 70 CO 0.05 -0.14 -0.13 0.20 0.64 0.00 0.00 175.55 176.17 3iqf s GLY 71 N 0.61 0.78 0.00 8.97 0.00 0.64 -0.34 107.32 117.98 3iqf s GLY 71 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3iqf s GLY 71 CO 0.02 -0.00 0.00 0.61 0.00 0.00 0.00 173.10 173.73 3iqf n GLY 72 N 3.61 -1.93 3.76 0.20 0.00 -0.82 -2.86 105.19 107.14 3iqf n GLY 72 Ca -0.21 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.77 3.34 -0.56 1.61 0.02 -1.26 -4.20 135.00 132.18 3iqf s PRO 73 Ca 0.00 2.22 -0.22 0.00 0.02 0.00 0.00 61.00 63.02 3iqf s PRO 73 Cb 0.00 -2.37 0.03 0.00 0.02 0.00 0.00 34.50 32.18 3iqf s PRO 73 CO 0.00 -1.03 0.64 -1.71 -0.33 0.00 0.00 177.00 174.58 3iqf n ASN 74 N -0.76 -6.02 0.33 2.53 2.85 -1.26 -4.82 115.26 108.11 3iqf n ASN 74 Ca 0.09 -0.21 0.10 0.00 -0.11 0.00 0.00 54.58 54.45 3iqf n ASN 74 Cb 0.45 -2.69 0.55 0.00 1.24 0.00 0.00 39.78 39.33 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 1.38 0.00 0.00 1.20 0.11 -1.87 0.79 132.00 133.61 3iqf h PRO 75 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3iqf h PRO 75 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3iqf h PRO 75 CO 0.26 0.00 -0.43 0.00 -0.21 0.00 0.00 178.00 177.62 3iqf n ALA 76 N -1.76 2.94 -1.25 -0.75 0.00 -1.26 -3.75 120.51 114.67 3iqf n ALA 76 Ca -0.01 -0.23 -0.31 0.00 0.00 0.00 0.00 53.44 52.89 3iqf n ALA 76 Cb 0.59 -1.23 0.10 0.00 0.00 0.00 0.00 19.45 18.90 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 2.17 0.20 0.00 0.00 0.27 -4.76 121.76 116.55 3iqf s ALA 77 Ca 0.09 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 3iqf s ALA 77 Cb 0.15 -3.26 0.23 0.00 0.00 0.00 0.00 23.12 20.23 3iqf s ALA 77 CO 0.67 -1.84 1.76 -1.35 0.00 0.00 0.00 175.76 175.00 3iqf h PRO 78 N -1.18 0.42 0.65 0.00 0.11 -1.91 -0.41 132.00 129.68 3iqf h PRO 78 Ca -0.44 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3iqf h PRO 78 Cb 1.24 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.26 3iqf h PRO 78 CO 0.52 0.28 -0.31 0.78 -0.21 0.00 0.00 178.00 179.05 3iqf h GLY 79 N 0.43 -0.91 0.34 -0.55 0.00 -1.84 -2.39 103.07 98.15 3iqf h GLY 79 Ca 0.28 0.34 0.22 0.00 0.00 0.00 0.00 47.33 48.16 3iqf h GLY 79 CO -0.26 -0.33 0.59 -2.55 0.00 0.00 0.00 176.54 173.99 3iqf h PRO 80 N -1.03 0.17 -0.44 4.80 0.11 -1.74 -0.52 132.00 133.35 3iqf h PRO 80 Ca -0.09 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 3iqf h PRO 80 Cb 0.67 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 3iqf h PRO 80 CO 0.15 0.11 -0.01 0.77 -0.21 0.00 0.00 178.00 178.80 3iqf h SER 81 N 0.17 0.70 -0.53 -2.05 0.02 -0.86 -0.73 113.55 110.27 3iqf h SER 81 Ca 0.42 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3iqf h SER 81 Cb 1.40 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 3iqf h SER 81 CO -0.08 0.78 0.13 0.50 -1.14 0.00 0.00 176.83 177.02 3iqf h LYS 82 N 0.69 0.85 -0.36 3.45 1.63 -0.59 -1.54 116.57 120.69 3iqf h LYS 82 Ca 0.13 -0.21 0.02 0.00 -0.85 0.00 0.00 60.65 59.75 3iqf h LYS 82 Cb 0.44 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 3iqf h LYS 82 CO 0.02 0.81 0.21 0.00 -3.45 0.00 0.00 179.45 177.03 3iqf h ALA 83 N 1.00 0.46 -0.64 5.00 0.00 -0.98 -0.70 119.26 123.40 3iqf h ALA 83 Ca 0.17 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3iqf h ALA 83 Cb 0.34 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3iqf h ALA 83 CO 0.00 -0.15 0.42 0.00 0.00 0.00 0.00 179.25 179.53 3iqf h ARG 84 N 0.42 0.84 0.07 0.00 3.08 -0.90 0.89 114.38 118.78 3iqf h ARG 84 Ca 0.15 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3iqf h ARG 84 Cb 0.02 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3iqf h ARG 84 CO -0.08 0.56 -0.04 1.49 -1.07 0.00 0.00 179.97 180.83 3iqf h GLU 85 N 0.87 -0.09 -0.52 0.04 4.81 -1.10 0.30 114.58 118.88 3iqf h GLU 85 Ca 0.24 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3iqf h GLU 85 Cb -0.10 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3iqf h GLU 85 CO -0.05 -0.06 0.16 0.52 -0.73 0.00 0.00 179.01 178.85 3iqf h MET 86 N -0.11 0.81 -0.32 1.92 2.86 -0.84 -1.90 114.93 117.36 3iqf h MET 86 Ca -0.01 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.31 3iqf h MET 86 Cb 0.08 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 3iqf h MET 86 CO 0.02 0.75 -0.35 -0.07 1.06 0.00 0.00 176.91 178.31 3iqf h LEU 87 N 0.71 0.86 -0.93 1.22 3.38 -0.76 -1.73 115.31 118.06 3iqf h LEU 87 Ca 0.17 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3iqf h LEU 87 Cb 0.28 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3iqf h LEU 87 CO -0.00 1.17 0.61 0.00 0.09 0.00 0.00 178.44 180.30 3iqf h ALA 88 N 0.72 1.18 0.00 1.53 0.00 -0.91 -2.28 119.26 119.50 3iqf h ALA 88 Ca 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3iqf h ALA 88 Cb 0.94 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3iqf h ALA 88 CO 0.09 0.59 -0.26 -0.44 0.00 0.00 0.00 179.25 179.22 3iqf h ASP 89 N 1.27 0.00 -3.97 0.00 3.32 -1.21 -3.46 116.42 112.37 3iqf h ASP 89 Ca 0.34 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.95 3iqf h ASP 89 Cb -0.13 0.00 0.16 0.00 0.22 0.00 0.00 39.33 39.57 3iqf h ASP 89 CO -0.07 0.26 0.27 -0.94 -1.72 0.00 0.00 179.24 177.04 3iqf s SER 90 N -6.35 2.66 0.00 6.45 1.04 -0.66 -4.96 113.70 111.88 3iqf s SER 90 Ca -0.01 0.77 0.29 0.00 0.48 0.00 0.00 55.95 57.48 3iqf s SER 90 Cb 0.12 -1.17 1.29 0.00 0.10 0.00 0.00 66.02 66.36 3iqf s SER 90 CO 0.65 -3.06 1.89 -1.84 0.98 0.00 0.00 173.24 171.86 3iqf n GLU 91 N -4.07 0.80 -3.44 4.02 0.28 -1.26 -4.86 120.64 112.11 3iqf n GLU 91 Ca 0.10 -0.27 -0.37 0.00 -0.16 0.00 0.00 57.16 56.46 3iqf n GLU 91 Cb 0.59 -1.49 -0.07 0.00 1.43 0.00 0.00 31.44 31.90 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 -2.38 3.47 0.29 -1.84 2.02 -1.26 -5.06 117.35 112.58 3iqf s TYR 92 Ca 0.32 0.70 -0.29 0.00 -0.37 0.00 0.00 57.07 57.43 3iqf s TYR 92 Cb 0.20 -2.44 -0.13 0.00 -0.40 0.00 0.00 41.96 39.19 3iqf s TYR 92 CO 0.45 0.18 1.17 -2.30 -1.57 0.00 0.00 175.55 173.48 3iqf n PRO 93 N 3.72 1.69 -3.86 -1.71 -0.02 -1.26 -4.82 135.00 128.73 3iqf n PRO 93 Ca -0.10 0.60 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3iqf n PRO 93 Cb 0.52 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 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 -0.87 -0.34 -0.07 3.55 0.00 -1.26 -0.72 121.76 122.05 3iqf s ALA 94 Ca 0.60 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.51 3iqf s ALA 94 Cb -0.66 0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.55 3iqf s ALA 94 CO 0.59 -0.20 -0.16 0.08 0.00 0.00 0.00 175.76 176.07 3iqf s VAL 95 N -1.27 1.37 -0.31 0.00 1.01 -0.65 -1.07 120.40 119.48 3iqf s VAL 95 Ca -0.14 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 3iqf s VAL 95 Cb -0.07 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3iqf s VAL 95 CO 0.02 0.41 0.23 -0.63 0.00 0.00 0.00 175.10 175.12 3iqf s ILE 96 N 0.47 5.29 -0.24 2.22 -1.09 -0.04 -1.33 121.20 126.47 3iqf s ILE 96 Ca -0.13 -0.01 -0.16 0.00 -2.23 0.00 0.00 60.65 58.13 3iqf s ILE 96 Cb -0.15 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 3iqf s ILE 96 CO 0.04 0.10 0.40 -0.63 -1.23 0.00 0.00 174.94 173.62 3iqf s ILE 97 N 1.77 5.18 0.00 2.92 1.09 0.54 -0.83 121.20 131.86 3iqf s ILE 97 Ca 0.07 0.65 0.00 0.00 -1.10 0.00 0.00 60.65 60.27 3iqf s ILE 97 Cb -0.17 -3.72 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 3iqf s ILE 97 CO 0.11 0.19 0.00 0.61 -0.10 0.00 0.00 174.94 175.75 3iqf n GLY 98 N 4.34 3.92 0.24 6.18 0.00 -0.63 -1.94 105.19 117.29 3iqf n GLY 98 Ca -0.08 -1.17 -0.02 0.00 0.00 0.00 0.00 46.02 44.75 3iqf n GLY 98 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iqf n ASP 99 N -0.49 2.04 -0.37 1.61 3.85 -1.26 -0.87 116.55 121.06 3iqf n ASP 99 Ca 0.00 -1.15 -0.02 0.00 -0.71 0.00 0.00 54.79 52.91 3iqf n ASP 99 Cb 0.00 0.03 0.12 0.00 -1.35 0.00 0.00 41.12 39.91 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 1.28 -0.17 2.12 0.00 -1.80 -1.09 119.26 120.61 3iqf h ALA 100 Ca -0.03 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3iqf h ALA 100 Cb 0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3iqf h ALA 100 CO 0.05 0.66 0.32 -1.35 0.00 0.00 0.00 179.25 178.93 3iqf h PRO 101 N 1.34 0.00 -0.01 0.00 0.11 -1.96 -1.24 132.00 130.25 3iqf h PRO 101 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3iqf h PRO 101 Cb -0.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 3iqf h PRO 101 CO -0.08 0.00 0.01 0.78 -0.21 0.00 0.00 178.00 178.50 3iqf h GLY 102 N 0.00 0.00 1.41 -0.55 0.00 -1.55 -2.99 103.07 99.40 3iqf h GLY 102 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.49 3iqf h GLY 102 CO -0.00 0.00 0.22 1.41 0.00 0.00 0.00 176.54 178.17 3iqf h LEU 103 N 0.00 0.06 -2.43 3.11 3.38 -1.38 -0.44 115.31 117.61 3iqf h LEU 103 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3iqf h LEU 103 Cb 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3iqf h LEU 103 CO -0.00 0.04 0.04 0.11 0.09 0.00 0.00 178.44 178.72 3iqf h LYS 104 N 0.07 0.00 -0.03 1.13 1.57 -1.74 -2.71 116.57 114.85 3iqf h LYS 104 Ca 0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3iqf h LYS 104 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3iqf h LYS 104 CO -0.01 0.00 -0.09 1.33 -0.57 0.00 0.00 179.45 180.11 3iqf n VAL 105 N -3.82 1.99 -0.08 0.50 0.24 -0.19 -4.79 118.33 112.19 3iqf n VAL 105 Ca -0.02 -2.43 -0.10 0.00 -2.04 0.00 0.00 64.34 59.75 3iqf n VAL 105 Cb 0.13 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.23 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 0.34 0.37 -0.45 7.34 3.64 -1.30 0.05 116.57 126.56 3iqf h LYS 106 Ca 0.01 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 3iqf h LYS 106 Cb 1.05 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 3iqf h LYS 106 CO 0.03 0.38 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.02 3iqf h ASP 107 N 0.27 0.84 -0.36 4.20 3.32 -1.87 -2.25 116.42 120.58 3iqf h ASP 107 Ca 0.09 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3iqf h ASP 107 Cb 0.14 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3iqf h ASP 107 CO -0.01 0.98 0.24 -0.08 -1.72 0.00 0.00 179.24 178.65 3iqf h GLU 108 N 0.75 0.48 -0.85 3.56 4.81 -1.85 -1.15 114.58 120.33 3iqf h GLU 108 Ca 0.12 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3iqf h GLU 108 Cb 0.64 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 3iqf h GLU 108 CO 0.04 0.32 0.45 0.52 -0.73 0.00 0.00 179.01 179.61 3iqf h MET 109 N 0.49 1.19 -0.49 1.92 2.86 -0.79 0.97 114.93 121.07 3iqf h MET 109 Ca 0.13 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3iqf h MET 109 Cb -0.05 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 31.33 3iqf h MET 109 CO -0.03 0.88 0.22 0.93 1.06 0.00 0.00 176.91 179.97 3iqf h GLU 110 N 1.19 0.41 -0.13 1.72 3.07 -1.07 -0.83 114.58 118.94 3iqf h GLU 110 Ca 0.30 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 59.05 3iqf h GLU 110 Cb 0.05 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3iqf h GLU 110 CO -0.04 0.27 -0.28 1.49 -1.40 0.00 0.00 179.01 179.05 3iqf h GLU 111 N 0.43 0.23 0.00 2.33 4.81 -0.51 -1.60 114.58 120.27 3iqf h GLU 111 Ca 0.23 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3iqf h GLU 111 Cb 0.18 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3iqf h GLU 111 CO -0.19 0.50 0.00 1.04 -0.73 0.00 0.00 179.01 179.63 3iqf n GLN 112 N -4.14 0.04 -1.87 1.92 6.02 0.27 -4.90 117.38 114.71 3iqf n GLN 112 Ca -0.01 0.12 -0.05 0.00 -0.01 0.00 0.00 57.00 57.05 3iqf n GLN 112 Cb 0.38 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 30.08 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 0.95 0.30 3.88 1.08 0.00 -0.60 -4.75 105.19 106.05 3iqf n GLY 113 Ca 0.06 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.45 4.33 0.74 0.99 1.43 -0.40 -4.76 118.68 119.55 3iqf s LEU 114 Ca 0.00 0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 53.71 3iqf s LEU 114 Cb 0.00 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 43.21 3iqf s LEU 114 CO 0.00 0.15 1.09 -0.83 0.23 0.00 0.00 176.35 176.99 3iqf s GLY 115 N -1.92 1.63 -0.03 -3.19 0.00 -0.24 -4.40 107.32 99.17 3iqf s GLY 115 Ca 0.35 -0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.60 3iqf s GLY 115 CO 0.19 0.12 0.45 -2.52 0.00 0.00 0.00 173.10 171.35 3iqf s TYR 116 N -3.26 -0.36 -0.27 1.90 1.13 0.44 -0.86 117.35 116.07 3iqf s TYR 116 Ca 0.59 0.60 -0.01 0.00 -1.41 0.00 0.00 57.07 56.83 3iqf s TYR 116 Cb -0.12 0.22 0.08 0.00 -1.10 0.00 0.00 41.96 41.04 3iqf s TYR 116 CO 0.53 -0.47 0.06 0.42 -2.51 0.00 0.00 175.55 173.58 3iqf s ILE 117 N -1.27 0.84 -0.32 -3.49 1.01 -0.01 -1.08 121.20 116.88 3iqf s ILE 117 Ca -0.13 -1.13 -0.11 0.00 0.00 0.00 0.00 60.65 59.28 3iqf s ILE 117 Cb -0.03 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 3iqf s ILE 117 CO 0.06 -0.47 0.19 -0.76 0.00 0.00 0.00 174.94 173.96 3iqf s LEU 118 N 1.66 4.26 -0.54 2.97 1.43 -0.11 -1.61 118.68 126.74 3iqf s LEU 118 Ca 0.05 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 3iqf s LEU 118 Cb -0.17 -2.07 0.14 0.00 0.03 0.00 0.00 46.19 44.11 3iqf s LEU 118 CO -0.18 -0.19 0.43 -0.69 0.23 0.00 0.00 176.35 175.95 3iqf s VAL 119 N 1.68 4.54 0.22 -1.59 1.01 -0.05 -0.28 120.40 125.93 3iqf s VAL 119 Ca 0.06 -1.89 -0.06 0.00 0.00 0.00 0.00 61.98 60.08 3iqf s VAL 119 Cb -0.17 -3.94 0.11 0.00 0.00 0.00 0.00 36.38 32.38 3iqf s VAL 119 CO 0.08 -0.83 1.72 0.11 0.00 0.00 0.00 175.10 176.19 3iqf h LYS 120 N 8.37 1.01 0.00 2.72 1.57 -1.37 -1.27 116.57 127.60 3iqf h LYS 120 Ca -0.18 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3iqf h LYS 120 Cb 1.07 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3iqf h LYS 120 CO 0.88 0.94 0.00 -0.35 -0.57 0.00 0.00 179.45 180.34 3iqf n PRO 121 N -4.22 0.65 -2.08 3.15 -0.04 -1.26 -4.30 135.00 126.90 3iqf n PRO 121 Ca 0.04 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 3iqf n PRO 121 Cb 0.29 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3iqf n PRO 121 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3iqf n ASP 122 N -0.92 4.36 -4.77 3.54 -0.08 -0.48 -4.46 116.55 113.73 3iqf n ASP 122 Ca 0.13 -2.90 -0.39 0.00 -1.51 0.00 0.00 54.79 50.12 3iqf n ASP 122 Cb 0.06 -1.65 -0.06 0.00 2.34 0.00 0.00 41.12 41.81 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 2.98 3.39 0.37 -1.67 0.00 -1.26 -4.76 121.76 120.80 3iqf s ALA 123 Ca 0.47 0.45 -0.28 0.00 0.00 0.00 0.00 51.96 52.60 3iqf s ALA 123 Cb 0.10 -3.05 -0.11 0.00 0.00 0.00 0.00 23.12 20.06 3iqf s ALA 123 CO -0.03 0.26 1.51 -0.12 0.00 0.00 0.00 175.76 177.37 3iqf n MET 124 N 1.40 2.70 -2.40 0.00 1.56 -1.26 -4.91 117.12 114.20 3iqf n MET 124 Ca -0.03 0.95 -0.25 0.00 -0.27 0.00 0.00 57.70 58.09 3iqf n MET 124 Cb 0.48 -2.69 0.14 0.00 2.15 0.00 0.00 33.22 33.30 3iqf n MET 124 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 3iqf s LEU 125 N -1.87 2.89 -1.25 -0.89 0.05 -1.26 -4.46 118.68 111.89 3iqf s LEU 125 Ca 0.55 -0.21 -0.12 0.00 0.05 0.00 0.00 54.13 54.39 3iqf s LEU 125 Cb -0.47 -2.00 0.17 0.00 -2.05 0.00 0.00 46.19 41.83 3iqf s LEU 125 CO 0.62 -2.17 1.65 0.61 -0.55 0.00 0.00 176.35 176.51 3iqf n GLY 126 N -3.14 3.98 2.66 -3.48 0.00 -1.26 -4.86 105.19 99.10 3iqf n GLY 126 Ca 0.16 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 4.91 6.05 -3.12 4.61 0.00 -1.26 -4.29 120.51 127.41 3iqf n ALA 127 Ca 0.39 -4.02 -0.33 0.00 0.00 0.00 0.00 53.44 49.48 3iqf n ALA 127 Cb 0.40 -3.17 -0.15 0.00 0.00 0.00 0.00 19.45 16.53 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 1.19 3.28 0.41 0.00 1.81 -1.26 -4.97 118.95 119.41 3iqf s ARG 128 Ca 0.49 -0.75 0.19 0.00 -1.72 0.00 0.00 55.73 53.94 3iqf s ARG 128 Cb 0.14 -2.52 1.11 0.00 -0.45 0.00 0.00 34.95 33.23 3iqf s ARG 128 CO -0.05 0.20 1.81 -0.09 -0.68 0.00 0.00 175.30 176.49 3iqf h ARG 129 N 6.70 0.37 0.00 3.54 2.43 -1.90 0.22 114.38 125.75 3iqf h ARG 129 Ca -0.23 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3iqf h ARG 129 Cb 1.22 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3iqf h ARG 129 CO 0.53 0.25 0.00 0.93 -1.51 0.00 0.00 179.97 180.16 3iqf h GLU 130 N 0.38 0.00 0.00 0.20 3.07 -1.96 -3.33 114.58 112.94 3iqf h GLU 130 Ca 0.54 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.36 3iqf h GLU 130 Cb 1.41 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 3iqf h GLU 130 CO -0.23 0.00 -1.14 0.34 -1.40 0.00 0.00 179.01 176.58 3iqf n PHE 131 N -2.48 0.00 -2.96 4.33 7.35 -0.39 -4.99 117.46 118.33 3iqf n PHE 131 Ca 0.02 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.27 3iqf n PHE 131 Cb 0.26 -0.09 -0.04 0.00 0.35 0.00 0.00 39.48 39.95 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 -5.87 4.79 0.59 -2.13 2.96 0.64 -4.84 118.68 114.82 3iqf s LEU 132 Ca -0.03 -1.14 0.10 0.00 -0.22 0.00 0.00 54.13 52.83 3iqf s LEU 132 Cb 0.01 -2.39 0.10 0.00 0.50 0.00 0.00 46.19 44.41 3iqf s LEU 132 CO 0.05 -1.29 0.81 1.51 -1.32 0.00 0.00 176.35 176.11 3iqf s ASP 133 N 3.61 5.03 0.26 3.68 -4.77 -1.26 -4.70 116.67 118.51 3iqf s ASP 133 Ca 0.18 -0.91 -0.04 0.00 -3.30 0.00 0.00 52.55 48.48 3iqf s ASP 133 Cb -0.20 0.42 0.36 0.00 -1.09 0.00 0.00 42.92 42.40 3iqf s ASP 133 CO 0.09 -1.41 1.88 -0.65 0.70 0.00 0.00 175.17 175.79 3iqf h PRO 134 N 0.13 1.13 -0.01 2.11 0.11 -1.99 -1.25 132.00 132.24 3iqf h PRO 134 Ca -0.29 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 3iqf h PRO 134 Cb 1.29 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3iqf h PRO 134 CO 0.40 0.75 0.00 0.28 -0.21 0.00 0.00 178.00 179.22 3iqf h VAL 135 N 1.16 1.08 -0.88 3.15 2.07 -1.98 -0.66 116.25 120.18 3iqf h VAL 135 Ca 0.40 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.71 3iqf h VAL 135 Cb 0.10 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3iqf h VAL 135 CO -0.15 0.06 0.58 -0.08 0.02 0.00 0.00 177.57 178.00 3iqf h GLU 136 N -0.09 1.15 -0.76 1.57 4.57 -1.83 -0.39 114.58 118.79 3iqf h GLU 136 Ca 0.00 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3iqf h GLU 136 Cb 0.09 -0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 28.37 3iqf h GLU 136 CO -0.00 0.76 0.47 1.98 -1.18 0.00 0.00 179.01 181.04 3iqf h MET 137 N 1.18 0.88 -0.46 1.92 4.05 -1.05 0.23 114.93 121.68 3iqf h MET 137 Ca 0.33 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.56 3iqf h MET 137 Cb -0.11 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.48 3iqf h MET 137 CO -0.08 0.58 -0.25 0.00 0.23 0.00 0.00 176.91 177.39 3iqf h ALA 138 N 1.34 0.68 -0.34 0.39 0.00 -0.35 -1.65 119.26 119.33 3iqf h ALA 138 Ca 0.32 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3iqf h ALA 138 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3iqf h ALA 138 CO -0.14 0.67 0.09 0.82 0.00 0.00 0.00 179.25 180.70 3iqf h ILE 139 N 0.83 1.22 -0.56 0.00 2.04 -0.87 -0.32 117.51 119.85 3iqf h ILE 139 Ca 0.10 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3iqf h ILE 139 Cb 0.83 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3iqf h ILE 139 CO 0.07 0.25 0.34 0.22 0.00 0.00 0.00 178.15 179.04 3iqf h TYR 140 N 0.40 0.65 -0.88 1.37 3.20 -0.86 -1.99 116.97 118.86 3iqf h TYR 140 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3iqf h TYR 140 Cb 0.29 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 3iqf h TYR 140 CO 0.01 0.38 0.56 -0.91 -1.64 0.00 0.00 178.16 176.56 3iqf h ASN 141 N 0.69 1.03 -0.33 -2.11 2.35 -0.98 0.00 115.58 116.24 3iqf h ASN 141 Ca 0.22 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3iqf h ASN 141 Cb -0.01 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 3iqf h ASN 141 CO -0.08 0.77 0.14 0.00 -1.65 0.00 0.00 177.43 176.61 3iqf h ALA 142 N 1.42 0.39 -0.46 -0.83 0.00 -0.49 0.15 119.26 119.44 3iqf h ALA 142 Ca 0.32 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3iqf h ALA 142 Cb -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3iqf h ALA 142 CO -0.07 -0.24 0.08 -0.44 0.00 0.00 0.00 179.25 178.59 3iqf h ASP 143 N 0.31 0.72 -0.58 0.00 3.32 -0.96 -2.35 116.42 116.87 3iqf h ASP 143 Ca 0.14 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3iqf h ASP 143 Cb 0.08 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3iqf h ASP 143 CO -0.12 0.79 0.14 0.25 -1.72 0.00 0.00 179.24 178.58 3iqf h LEU 144 N 0.62 0.88 -0.77 1.55 5.85 -0.88 -1.39 115.31 121.17 3iqf h LEU 144 Ca 0.14 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3iqf h LEU 144 Cb 0.37 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3iqf h LEU 144 CO 0.01 0.89 0.40 -0.03 -0.34 0.00 0.00 178.44 179.37 3iqf h MET 145 N 0.83 1.08 -0.33 1.25 4.05 -0.93 0.17 114.93 121.05 3iqf h MET 145 Ca 0.18 -0.14 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 3iqf h MET 145 Cb 0.35 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 3iqf h MET 145 CO 0.00 0.81 0.13 -0.22 0.23 0.00 0.00 176.91 177.87 3iqf h LYS 146 N 1.07 0.28 0.38 0.39 1.63 -1.14 -0.04 116.57 119.13 3iqf h LYS 146 Ca 0.27 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 3iqf h LYS 146 Cb 0.06 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3iqf h LYS 146 CO -0.04 0.18 -0.20 0.28 -3.45 0.00 0.00 179.45 176.22 3iqf h VAL 147 N 0.29 0.59 -0.09 2.00 2.07 -0.29 0.63 116.25 121.45 3iqf h VAL 147 Ca 0.14 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 3iqf h VAL 147 Cb 0.09 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3iqf h VAL 147 CO -0.13 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.15 3iqf h LEU 148 N -0.54 0.14 0.12 2.57 3.38 -0.62 -1.63 115.31 118.74 3iqf h LEU 148 Ca -0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iqf h LEU 148 Cb 0.42 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3iqf h LEU 148 CO 0.07 0.40 -0.06 0.00 0.09 0.00 0.00 178.44 178.94 3iqf h ALA 149 N 1.62 -0.16 0.00 1.53 0.00 -0.85 -1.07 119.26 120.32 3iqf h ALA 149 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iqf h ALA 149 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3iqf h ALA 149 CO 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.10 3iqf h ALA 150 N -0.58 1.00 0.00 0.00 0.00 -0.89 -2.49 119.26 116.30 3iqf h ALA 150 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iqf h ALA 150 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3iqf h ALA 150 CO 0.03 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.07 3iqf h THR 151 N 0.00 0.00 0.00 0.00 1.35 -1.45 -3.44 112.91 109.37 3iqf h THR 151 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3iqf h THR 151 Cb 0.63 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3iqf h THR 151 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3iqf n GLY 152 N 1.12 0.72 0.29 5.82 0.00 -0.94 -4.98 105.19 107.23 3iqf n GLY 152 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 1.06 0.00 1.61 2.07 -1.57 -1.88 116.25 117.54 3iqf h VAL 153 Ca 0.00 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3iqf h VAL 153 Cb 0.00 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3iqf h VAL 153 CO 0.00 0.16 -0.18 -0.26 0.02 0.00 0.00 177.57 177.31 3iqf h PHE 154 N 0.88 0.00 -0.17 1.57 0.05 -1.49 -1.46 116.94 116.32 3iqf h PHE 154 Ca 0.32 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.95 3iqf h PHE 154 Cb 0.10 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.04 3iqf h PHE 154 CO -0.04 0.18 -0.55 -0.09 -0.18 0.00 0.00 178.31 177.63 3iqf h ARG 155 N 0.00 0.51 -0.84 1.51 2.43 -1.64 0.85 114.38 117.20 3iqf h ARG 155 Ca -0.00 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 3iqf h ARG 155 Cb 0.38 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3iqf h ARG 155 CO 0.02 0.93 0.42 0.28 -1.51 0.00 0.00 179.97 180.11 3iqf h VAL 156 N 0.39 1.25 -0.10 0.20 2.07 -0.80 -1.72 116.25 117.54 3iqf h VAL 156 Ca 0.01 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3iqf h VAL 156 Cb 1.09 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3iqf h VAL 156 CO 0.10 0.30 -0.08 0.58 0.02 0.00 0.00 177.57 178.48 3iqf h VAL 157 N 1.18 1.35 -0.49 2.57 2.07 -1.23 -2.29 116.25 119.40 3iqf h VAL 157 Ca 0.29 -1.21 0.10 0.00 0.82 0.00 0.00 66.70 66.70 3iqf h VAL 157 Cb 0.09 1.93 -0.09 0.00 -1.52 0.00 0.00 31.29 31.69 3iqf h VAL 157 CO -0.04 0.34 -0.10 -0.61 0.02 0.00 0.00 177.57 177.19 3iqf h GLN 158 N -0.16 0.02 -0.81 1.57 4.15 -0.74 -2.47 115.11 116.67 3iqf h GLN 158 Ca 0.02 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3iqf h GLN 158 Cb 0.59 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 3iqf h GLN 158 CO 0.02 0.01 0.41 0.93 -1.93 0.00 0.00 178.83 178.28 3iqf h GLU 159 N 0.02 1.15 -0.21 1.69 5.08 -1.25 0.19 114.58 121.26 3iqf h GLU 159 Ca 0.24 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3iqf h GLU 159 Cb 0.37 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3iqf h GLU 159 CO -0.49 0.88 0.13 0.00 -1.00 0.00 0.00 179.01 178.53 3iqf h ALA 160 N 1.22 0.26 -0.32 3.43 0.00 -1.06 -1.02 119.26 121.77 3iqf h ALA 160 Ca 0.28 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3iqf h ALA 160 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3iqf h ALA 160 CO -0.04 -0.27 -0.29 0.74 0.00 0.00 0.00 179.25 179.39 3iqf h PHE 161 N 0.27 0.92 -0.92 0.00 -1.00 -1.14 -2.06 116.94 113.00 3iqf h PHE 161 Ca 0.08 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 60.59 3iqf h PHE 161 Cb -0.02 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.30 3iqf h PHE 161 CO -0.07 1.03 0.58 -0.44 -1.61 0.00 0.00 178.31 177.80 3iqf h ASP 162 N 0.54 1.08 -0.63 2.17 3.45 -0.45 0.24 116.42 122.82 3iqf h ASP 162 Ca 0.06 -0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.45 3iqf h ASP 162 Cb 0.86 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 3iqf h ASP 162 CO 0.07 0.81 0.33 -0.33 -1.57 0.00 0.00 179.24 178.55 3iqf h GLU 163 N 1.26 0.90 -0.59 3.56 5.08 -1.05 -1.47 114.58 122.26 3iqf h GLU 163 Ca 0.33 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3iqf h GLU 163 Cb -0.10 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 3iqf h GLU 163 CO -0.07 0.70 0.27 1.25 -1.00 0.00 0.00 179.01 180.16 3iqf h LEU 164 N 0.87 0.79 -0.53 1.33 5.85 -0.63 -1.95 115.31 121.05 3iqf h LEU 164 Ca 0.22 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3iqf h LEU 164 Cb 0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3iqf h LEU 164 CO -0.03 0.72 0.23 0.40 -0.34 0.00 0.00 178.44 179.42 3iqf h ILE 165 N 0.81 1.21 -0.87 4.05 2.04 -0.29 -0.18 117.51 124.28 3iqf h ILE 165 Ca 0.20 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.46 3iqf h ILE 165 Cb 0.15 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3iqf h ILE 165 CO -0.02 0.24 0.57 -0.33 0.00 0.00 0.00 178.15 178.61 3iqf h GLU 166 N 0.71 1.15 -0.67 2.37 4.39 -1.11 -1.32 114.58 120.10 3iqf h GLU 166 Ca 0.18 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3iqf h GLU 166 Cb 0.15 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 3iqf h GLU 166 CO -0.02 0.77 0.35 0.87 -1.16 0.00 0.00 179.01 179.82 3iqf h LYS 167 N 1.18 0.94 -0.85 2.33 1.79 -0.91 -2.67 116.57 118.39 3iqf h LYS 167 Ca 0.32 -0.12 0.08 0.00 -2.18 0.00 0.00 60.65 58.75 3iqf h LYS 167 Cb -0.13 -0.18 -0.06 0.00 -1.58 0.00 0.00 32.23 30.29 3iqf h LYS 167 CO -0.07 0.71 0.55 0.00 -1.08 0.00 0.00 179.45 179.57 3iqf h ALA 168 N 1.17 1.64 0.00 3.86 0.00 -0.31 -2.22 119.26 123.41 3iqf h ALA 168 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3iqf h ALA 168 Cb 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3iqf h ALA 168 CO -0.04 0.20 0.00 0.87 0.00 0.00 0.00 179.25 180.29 3iqf h LYS 169 N 0.87 0.00 -0.87 0.00 1.57 -0.90 0.11 116.57 117.34 3iqf h LYS 169 Ca 0.38 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.62 3iqf h LYS 169 Cb 0.34 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.36 3iqf h LYS 169 CO -0.15 0.00 0.48 -0.85 -0.57 0.00 0.00 179.45 178.36 3iqf n GLU 170 N -2.71 2.51 0.00 3.15 0.00 -0.84 -4.97 120.64 117.78 3iqf n GLU 170 Ca 0.01 -3.28 0.00 0.00 0.00 0.00 0.00 57.16 53.89 3iqf n GLU 170 Cb 0.25 -2.18 0.00 0.00 0.00 0.00 0.00 31.44 29.51 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 -1.01 0.00 -3.88 -1.84 4.64 0.37 -4.77 116.55 110.07 3iqf n ASP 171 Ca 0.55 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 53.55 3iqf n ASP 171 Cb 1.09 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 41.15 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 2.43 -2.75 -0.67 4.71 -1.24 -4.77 120.64 118.36 3iqf n GLU 172 Ca 0.00 -2.47 -0.43 0.00 -0.01 0.00 0.00 57.16 54.25 3iqf n GLU 172 Cb 0.00 -3.24 -0.03 0.00 -1.01 0.00 0.00 31.44 27.15 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 4.39 4.33 0.48 -3.67 1.01 -1.26 -4.82 121.20 121.65 3iqf s ILE 173 Ca 0.52 0.74 0.08 0.00 0.00 0.00 0.00 60.65 62.00 3iqf s ILE 173 Cb 0.12 -4.54 0.03 0.00 0.01 0.00 0.00 42.46 38.08 3iqf s ILE 173 CO 0.01 -1.02 0.57 -0.94 0.00 0.00 0.00 174.94 173.56 3iqf s SER 174 N 2.56 5.23 0.54 3.58 1.04 -1.26 -4.97 113.70 120.42 3iqf s SER 174 Ca 0.38 -0.72 0.21 0.00 0.48 0.00 0.00 55.95 56.30 3iqf s SER 174 Cb -0.10 -0.24 1.39 0.00 0.10 0.00 0.00 66.02 67.18 3iqf s SER 174 CO 0.25 -0.94 2.12 -0.33 0.98 0.00 0.00 173.24 175.32 3iqf h GLU 175 N 0.61 0.00 0.00 4.02 5.08 -1.97 -0.56 114.58 121.76 3iqf h GLU 175 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3iqf h GLU 175 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3iqf h GLU 175 CO 0.48 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.58 3iqf h ASN 176 N 0.00 0.00 0.43 1.42 2.35 -1.98 -2.75 115.58 115.06 3iqf h ASN 176 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3iqf h ASN 176 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3iqf h ASN 176 CO -0.00 0.00 -0.82 0.47 -1.65 0.00 0.00 177.43 175.43 3iqf n ASP 177 N -2.70 0.64 -4.73 5.81 9.92 -0.23 -4.93 116.55 120.34 3iqf n ASP 177 Ca 0.01 -0.31 -0.42 0.00 -0.53 0.00 0.00 54.79 53.55 3iqf n ASP 177 Cb 0.27 0.59 -0.03 0.00 -0.64 0.00 0.00 41.12 41.31 3iqf n ASP 177 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3iqf s LEU 178 N -3.51 4.39 0.45 0.64 1.43 -1.04 -4.82 118.68 116.22 3iqf s LEU 178 Ca 0.07 2.34 -0.24 0.00 -1.03 0.00 0.00 54.13 55.27 3iqf s LEU 178 Cb 0.16 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 3iqf s LEU 178 CO 0.77 -0.58 1.20 -2.65 0.23 0.00 0.00 176.35 175.33 3iqf n PRO 179 N 3.29 1.71 -3.24 1.29 -0.02 -1.26 -4.85 135.00 131.91 3iqf n PRO 179 Ca 0.09 0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 61.94 3iqf n PRO 179 Cb 0.43 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 3iqf n PRO 179 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3iqf n LYS 180 N -0.14 0.50 -4.54 -0.52 5.02 -1.21 -0.42 118.16 116.85 3iqf n LYS 180 Ca 0.08 -3.11 -0.34 0.00 -2.02 0.00 0.00 58.31 52.92 3iqf n LYS 180 Cb 0.41 -1.41 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 3iqf n LYS 180 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iqf s LEU 181 N -0.62 3.29 -0.16 -0.35 1.43 -0.24 -4.98 118.68 117.05 3iqf s LEU 181 Ca 0.34 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3iqf s LEU 181 Cb 0.12 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.62 3iqf s LEU 181 CO -0.15 0.35 -0.16 -0.69 0.23 0.00 0.00 176.35 175.93 3iqf s VAL 182 N -0.70 1.70 -0.15 -1.59 1.01 -1.26 -0.93 120.40 118.48 3iqf s VAL 182 Ca 0.11 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3iqf s VAL 182 Cb -0.11 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3iqf s VAL 182 CO 0.02 0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 174.90 3iqf s ILE 183 N 1.43 3.60 0.00 2.22 1.01 0.62 -4.95 121.20 125.13 3iqf s ILE 183 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3iqf s ILE 183 Cb -0.13 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3iqf s ILE 183 CO -0.11 0.50 0.00 -0.90 0.00 0.00 0.00 174.94 174.43 3iqf n ASP 184 N 3.60 0.00 -0.16 3.58 5.68 -1.26 -0.99 116.55 127.00 3iqf n ASP 184 Ca -0.18 -0.53 -0.02 0.00 -0.50 0.00 0.00 54.79 53.56 3iqf n ASP 184 Cb 0.52 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.57 3iqf n ASP 184 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3iqf h ARG 185 N 0.00 0.22 0.00 0.11 2.43 -1.88 -1.69 114.38 113.56 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 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3iqf h ARG 185 CO 0.00 0.15 0.00 0.09 -1.51 0.00 0.00 179.97 178.70 3iqf n ASN 186 N -5.12 0.58 -0.22 -3.80 3.02 -1.26 -2.25 115.26 106.20 3iqf n ASN 186 Ca 0.05 0.67 0.11 0.00 -0.03 0.00 0.00 54.58 55.38 3iqf n ASN 186 Cb 0.24 -0.78 0.39 0.00 -0.61 0.00 0.00 39.78 39.02 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 0.89 0.00 3.41 2.02 -1.67 -1.73 112.91 115.83 3iqf h THR 187 Ca 0.00 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3iqf h THR 187 Cb 0.28 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3iqf h THR 187 CO 0.00 0.12 -0.11 -0.07 0.37 0.00 0.00 175.52 175.83 3iqf h LEU 188 N 0.67 0.00 -1.65 2.58 3.38 -1.62 -2.64 115.31 116.04 3iqf h LEU 188 Ca 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.32 3iqf h LEU 188 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3iqf h LEU 188 CO -0.16 0.11 -0.20 -0.07 0.09 0.00 0.00 178.44 178.22 3iqf h LEU 189 N 0.00 0.00 -1.64 1.67 3.38 -1.52 -2.30 115.31 114.91 3iqf h LEU 189 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqf h LEU 189 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3iqf h LEU 189 CO 0.01 0.20 0.00 -0.62 0.09 0.00 0.00 178.44 178.12 3iqf n GLU 190 N -3.89 2.05 -4.35 1.13 1.02 -1.00 -4.96 120.64 110.64 3iqf n GLU 190 Ca -0.02 -1.61 -0.27 0.00 -0.02 0.00 0.00 57.16 55.25 3iqf n GLU 190 Cb 0.29 -1.39 -0.09 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.49 2.12 -0.22 3.49 0.52 -0.86 -5.05 118.95 117.45 3iqf s ARG 191 Ca 0.32 -1.99 0.11 0.00 -0.52 0.00 0.00 55.73 53.66 3iqf s ARG 191 Cb 0.17 -1.83 0.44 0.00 0.52 0.00 0.00 34.95 34.25 3iqf s ARG 191 CO 0.24 -0.12 1.29 -1.91 0.02 0.00 0.00 175.30 174.81 3iqf n GLU 192 N -1.16 1.67 -0.11 3.54 4.07 -1.26 -4.84 120.64 122.56 3iqf n GLU 192 Ca -0.04 -3.18 -0.12 0.00 -0.06 0.00 0.00 57.16 53.75 3iqf n GLU 192 Cb 0.66 -1.67 -0.03 0.00 -0.06 0.00 0.00 31.44 30.33 3iqf n GLU 192 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3iqf h GLU 193 N 0.92 0.76 -5.15 5.31 4.57 -1.97 -3.43 114.58 115.60 3iqf h GLU 193 Ca 0.06 -0.36 -0.64 0.00 -1.18 0.00 0.00 59.36 57.25 3iqf h GLU 193 Cb 1.21 -0.01 -0.22 0.00 -0.16 0.00 0.00 28.75 29.57 3iqf h GLU 193 CO 0.12 0.98 -0.65 -0.06 -1.18 0.00 0.00 179.01 178.22 3iqf s PHE 194 N -4.53 3.07 0.24 0.92 0.08 -1.26 -4.58 117.98 111.91 3iqf s PHE 194 Ca -0.12 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.58 3iqf s PHE 194 Cb 0.10 -2.08 0.28 0.00 -0.57 0.00 0.00 43.02 40.75 3iqf s PHE 194 CO 0.83 -0.17 1.61 1.49 -0.10 0.00 0.00 175.22 178.88 3iqf h GLU 195 N 7.34 0.43 -5.31 0.44 4.22 -1.83 -3.44 114.58 116.43 3iqf h GLU 195 Ca -0.35 -0.23 -0.60 0.00 0.08 0.00 0.00 59.36 58.26 3iqf h GLU 195 Cb 1.18 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 3iqf h GLU 195 CO 0.62 0.79 -0.41 1.21 -2.18 0.00 0.00 179.01 179.04 3iqf s ASN 196 N -6.87 6.28 0.37 1.04 2.47 -1.26 -4.99 114.94 111.98 3iqf s ASN 196 Ca -0.06 0.32 0.09 0.00 0.42 0.00 0.00 52.86 53.63 3iqf s ASN 196 Cb 0.12 -2.14 0.72 0.00 -1.45 0.00 0.00 41.25 38.51 3iqf s ASN 196 CO 0.81 0.10 1.88 1.55 -3.72 0.00 0.00 177.10 177.71 3iqf h PRO 197 N 6.95 0.24 -0.34 0.43 0.13 -2.00 -2.43 132.00 134.98 3iqf h PRO 197 Ca -0.40 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 3iqf h PRO 197 Cb 1.16 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3iqf h PRO 197 CO 0.73 0.42 -0.33 1.88 -0.23 0.00 0.00 178.00 180.48 3iqf h TYR 198 N 0.23 0.89 -0.66 1.56 0.05 -1.98 0.30 116.97 117.36 3iqf h TYR 198 Ca 0.04 -0.24 0.03 0.00 0.05 0.00 0.00 58.73 58.62 3iqf h TYR 198 Cb 0.45 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 3iqf h TYR 198 CO 0.01 0.98 0.41 0.00 -1.05 0.00 0.00 178.16 178.51 3iqf h ALA 199 N 0.99 0.87 -0.12 3.88 0.00 -1.79 -0.33 119.26 122.76 3iqf h ALA 199 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3iqf h ALA 199 Cb 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3iqf h ALA 199 CO 0.08 0.16 0.06 1.98 0.00 0.00 0.00 179.25 181.53 3iqf h MET 200 N 0.79 0.17 0.00 0.00 1.85 -0.92 -0.76 114.93 116.06 3iqf h MET 200 Ca 0.27 -0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 59.25 3iqf h MET 200 Cb 0.04 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3iqf h MET 200 CO -0.11 0.20 -0.41 -0.39 -0.40 0.00 0.00 176.91 175.79 3iqf h VAL 201 N 0.09 1.08 -0.33 -5.77 -1.51 -0.68 0.12 116.25 109.25 3iqf h VAL 201 Ca 0.04 -1.51 -0.11 0.00 -1.23 0.00 0.00 66.70 63.89 3iqf h VAL 201 Cb 0.08 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 3iqf h VAL 201 CO -0.01 0.40 -0.23 0.11 -1.23 0.00 0.00 177.57 176.61 3iqf h LYS 202 N 0.00 0.73 -0.65 5.19 1.57 -0.93 -0.02 116.57 122.47 3iqf h LYS 202 Ca -0.00 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 3iqf h LYS 202 Cb 0.83 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 3iqf h LYS 202 CO 0.05 0.97 0.31 0.00 -0.57 0.00 0.00 179.45 180.21 3iqf h ALA 203 N 0.75 0.84 -0.64 3.86 0.00 -0.38 0.47 119.26 124.16 3iqf h ALA 203 Ca 0.06 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iqf h ALA 203 Cb 0.79 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3iqf h ALA 203 CO 0.06 0.41 0.39 0.52 0.00 0.00 0.00 179.25 180.62 3iqf h MET 204 N 0.90 0.73 -0.29 0.00 2.86 -0.62 -1.47 114.93 117.03 3iqf h MET 204 Ca 0.22 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3iqf h MET 204 Cb 0.12 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3iqf h MET 204 CO -0.03 0.48 0.18 0.00 1.06 0.00 0.00 176.91 178.60 3iqf h ALA 205 N 1.29 0.37 -0.50 6.32 0.00 -0.53 -0.30 119.26 125.91 3iqf h ALA 205 Ca 0.26 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.22 3iqf h ALA 205 Cb 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3iqf h ALA 205 CO -0.12 -0.13 0.07 0.00 0.00 0.00 0.00 179.25 179.06 3iqf h ALA 206 N 1.08 0.53 -0.10 0.00 0.00 -0.63 0.53 119.26 120.66 3iqf h ALA 206 Ca 0.11 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3iqf h ALA 206 Cb -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3iqf h ALA 206 CO -0.02 -0.34 -0.44 -0.07 0.00 0.00 0.00 179.25 178.38 3iqf h LEU 207 N 0.19 0.25 -0.04 0.00 3.38 -0.98 0.52 115.31 118.63 3iqf h LEU 207 Ca 0.25 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3iqf h LEU 207 Cb 0.36 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3iqf h LEU 207 CO -0.36 0.67 0.01 -0.08 0.09 0.00 0.00 178.44 178.77 3iqf h GLU 208 N 0.20 0.07 -0.58 1.13 4.57 -0.60 -1.16 114.58 118.20 3iqf h GLU 208 Ca 0.01 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3iqf h GLU 208 Cb 0.87 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.42 3iqf h GLU 208 CO 0.07 0.28 0.36 0.82 -1.18 0.00 0.00 179.01 179.36 3iqf h ILE 209 N -0.16 1.17 -0.69 2.32 2.04 -0.56 -1.37 117.51 120.26 3iqf h ILE 209 Ca 0.01 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3iqf h ILE 209 Cb 0.25 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3iqf h ILE 209 CO 0.00 0.17 0.45 0.00 0.00 0.00 0.00 178.15 178.77 3iqf h ALA 210 N 1.19 0.89 -0.51 1.87 0.00 -0.83 -0.69 119.26 121.18 3iqf h ALA 210 Ca 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 210 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3iqf h ALA 210 CO -0.04 0.27 0.29 1.49 0.00 0.00 0.00 179.25 181.25 3iqf h GLU 211 N 0.91 0.71 0.00 0.00 4.81 -0.84 -2.78 114.58 117.39 3iqf h GLU 211 Ca 0.26 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3iqf h GLU 211 Cb -0.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3iqf h GLU 211 CO -0.07 0.55 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.64 3iqf h ASN 212 N 0.69 0.00 -0.76 1.04 2.35 -0.53 -2.19 115.58 116.17 3iqf h ASN 212 Ca 0.18 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.06 3iqf h ASN 212 Cb 0.04 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.32 3iqf h ASN 212 CO -0.03 0.21 0.33 0.58 -1.65 0.00 0.00 177.43 176.87 3iqf h VAL 213 N 0.00 0.70 -0.78 2.81 2.07 -0.85 -2.40 116.25 117.80 3iqf h VAL 213 Ca -0.00 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.47 3iqf h VAL 213 Cb 0.47 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.32 3iqf h VAL 213 CO 0.03 0.09 0.38 0.00 0.02 0.00 0.00 177.57 178.09 3iqf h ALA 214 N 1.53 1.13 -0.59 1.67 0.00 -1.45 -0.23 119.26 121.31 3iqf h ALA 214 Ca 0.41 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 3iqf h ALA 214 Cb 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3iqf h ALA 214 CO -0.37 -0.09 0.18 -0.44 0.00 0.00 0.00 179.25 178.52 3iqf h ASP 215 N 0.59 0.83 -0.13 0.00 3.45 -1.57 0.15 116.42 119.75 3iqf h ASP 215 Ca 0.41 -0.14 -0.05 0.00 0.43 0.00 0.00 57.03 57.68 3iqf h ASP 215 Cb 0.54 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3iqf h ASP 215 CO -0.33 0.79 -0.13 0.58 -1.57 0.00 0.00 179.24 178.58 3iqf h VAL 216 N 0.87 1.35 -0.19 -1.35 2.07 -1.08 -1.70 116.25 116.22 3iqf h VAL 216 Ca 0.20 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.47 3iqf h VAL 216 Cb 0.26 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3iqf h VAL 216 CO -0.01 0.37 -0.03 0.28 0.02 0.00 0.00 177.57 178.20 3iqf h SER 217 N -0.07 -0.14 -0.39 0.57 0.02 -0.94 -0.42 113.55 112.18 3iqf h SER 217 Ca 0.02 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3iqf h SER 217 Cb 0.65 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 3iqf h SER 217 CO 0.03 -0.05 0.19 0.58 -1.14 0.00 0.00 176.83 176.44 3iqf h VAL 218 N 0.02 0.97 -0.26 2.27 2.07 -0.97 0.26 116.25 120.61 3iqf h VAL 218 Ca 0.09 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3iqf h VAL 218 Cb 0.13 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3iqf h VAL 218 CO -0.18 0.07 -0.07 -0.08 0.02 0.00 0.00 177.57 177.34 3iqf h GLU 219 N 0.39 -0.00 -0.07 1.57 4.81 -0.99 0.25 114.58 120.54 3iqf h GLU 219 Ca 0.17 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3iqf h GLU 219 Cb 0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3iqf h GLU 219 CO -0.12 -0.00 -0.40 0.78 -0.73 0.00 0.00 179.01 178.54 3iqf h GLY 220 N -0.00 0.16 0.47 1.92 0.00 -0.38 0.21 103.07 105.44 3iqf h GLY 220 Ca 0.12 -0.15 -0.29 0.00 0.00 0.00 0.00 47.33 47.02 3iqf h GLY 220 CO -0.27 0.13 -1.99 0.00 0.00 0.00 0.00 176.54 174.41 3iqf n PHE 222 N -2.83 0.00 -0.03 0.00 3.72 0.85 -4.90 117.46 114.27 3iqf n PHE 222 Ca -0.22 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.11 3iqf n PHE 222 Cb 1.04 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.56 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 -1.40 1.30 -2.22 -4.37 0.31 -0.73 -4.99 118.33 106.24 3iqf n VAL 223 Ca 0.00 0.19 -0.42 0.00 -0.01 0.00 0.00 64.34 64.11 3iqf n VAL 223 Cb 0.00 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 30.94 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 -2.46 4.35 0.00 5.55 2.56 0.66 -4.92 118.70 124.44 3iqf s GLU 224 Ca -0.16 2.02 0.07 0.00 0.00 0.00 0.00 54.97 56.89 3iqf s GLU 224 Cb 0.03 -3.26 -0.05 0.00 2.00 0.00 0.00 34.13 32.85 3iqf s GLU 224 CO 0.24 -0.37 0.38 1.04 -0.56 0.00 0.00 175.26 175.99 3iqf n GLN 225 N 3.74 3.83 -3.47 4.30 1.13 -1.26 -4.73 117.38 120.91 3iqf n GLN 225 Ca 0.10 -0.17 -0.39 0.00 -1.94 0.00 0.00 57.00 54.60 3iqf n GLN 225 Cb 0.43 -0.89 -0.10 0.00 0.11 0.00 0.00 30.24 29.79 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 -1.50 6.15 0.55 1.08 3.68 -1.26 -4.98 116.67 120.39 3iqf s ASP 226 Ca 0.04 0.09 0.25 0.00 2.13 0.00 0.00 52.55 55.06 3iqf s ASP 226 Cb 0.06 -2.17 1.56 0.00 -1.45 0.00 0.00 42.92 40.92 3iqf s ASP 226 CO 0.26 -0.15 2.17 0.07 0.13 0.00 0.00 175.17 177.65 3iqf h LYS 227 N 8.30 0.00 0.00 4.34 2.10 -1.97 0.13 116.57 129.47 3iqf h LYS 227 Ca -0.33 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.31 3iqf h LYS 227 Cb 1.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3iqf h LYS 227 CO 0.61 0.05 -0.05 0.93 -2.00 0.00 0.00 179.45 178.99 3iqf h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -2.23 114.58 115.49 3iqf h GLU 228 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 3iqf h GLU 228 Cb 0.11 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 3iqf h GLU 228 CO 0.01 0.05 -2.28 0.54 -1.00 0.00 0.00 179.01 176.32 3iqf n ARG 229 N -3.40 0.54 0.16 2.33 1.74 0.22 -4.56 116.66 113.69 3iqf n ARG 229 Ca -0.02 0.16 0.02 0.00 -0.77 0.00 0.00 57.85 57.24 3iqf n ARG 229 Cb 0.17 -1.41 0.22 0.00 -1.02 0.00 0.00 32.46 30.43 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 -0.28 0.00 0.10 -1.55 -0.00 -0.86 -2.14 116.97 112.23 3iqf h TYR 230 Ca -0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.19 3iqf h TYR 230 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.42 3iqf h TYR 230 CO -0.01 0.53 -0.05 0.28 -0.00 0.00 0.00 178.16 178.91 3iqf h VAL 231 N 0.00 1.08 -0.77 -0.90 2.07 -1.65 -1.26 116.25 114.82 3iqf h VAL 231 Ca -0.01 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 66.84 3iqf h VAL 231 Cb 1.05 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 3iqf h VAL 231 CO 0.07 0.18 0.51 -0.65 0.02 0.00 0.00 177.57 177.69 3iqf h PRO 232 N -0.48 0.81 0.28 1.57 0.11 -1.78 -1.40 132.00 131.10 3iqf h PRO 232 Ca -0.01 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3iqf h PRO 232 Cb 0.40 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3iqf h PRO 232 CO 0.02 0.54 -0.13 0.82 -0.21 0.00 0.00 178.00 179.03 3iqf h ILE 233 N 0.83 0.76 -0.56 4.15 2.04 -1.16 -0.04 117.51 123.53 3iqf h ILE 233 Ca 0.33 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 3iqf h ILE 233 Cb 0.23 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3iqf h ILE 233 CO -0.11 0.06 0.20 -0.37 0.00 0.00 0.00 178.15 177.92 3iqf h VAL 234 N -0.52 1.21 -0.74 1.67 -1.51 -1.07 -1.91 116.25 113.39 3iqf h VAL 234 Ca -0.04 -0.70 -0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3iqf h VAL 234 Cb 0.38 0.57 -0.04 0.00 -2.13 0.00 0.00 31.29 30.07 3iqf h VAL 234 CO 0.06 0.27 0.44 0.00 -1.23 0.00 0.00 177.57 177.12 3iqf h ALA 235 N 1.40 1.39 -0.35 5.19 0.00 -1.06 -2.69 119.26 123.15 3iqf h ALA 235 Ca 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3iqf h ALA 235 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3iqf h ALA 235 CO -0.01 0.53 -0.05 0.66 0.00 0.00 0.00 179.25 180.38 3iqf h SER 236 N 1.02 0.54 -0.86 0.00 4.64 -0.20 -1.76 113.55 116.93 3iqf h SER 236 Ca 0.27 -0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3iqf h SER 236 Cb -0.04 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 3iqf h SER 236 CO -0.05 0.65 0.57 0.00 -0.87 0.00 0.00 176.83 177.13 3iqf h ALA 237 N 1.42 1.10 -0.49 5.18 0.00 -1.15 -1.29 119.26 124.03 3iqf h ALA 237 Ca 0.11 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3iqf h ALA 237 Cb 0.42 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iqf h ALA 237 CO 0.02 0.50 -0.14 0.45 0.00 0.00 0.00 179.25 180.08 3iqf h HIS 238 N 1.17 1.04 -0.32 0.00 3.86 -1.23 -1.79 115.15 117.88 3iqf h HIS 238 Ca 0.32 -0.22 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 3iqf h HIS 238 Cb -0.13 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.06 3iqf h HIS 238 CO -0.01 1.00 0.00 0.93 0.86 0.00 0.00 177.93 180.71 3iqf h GLU 239 N 0.83 0.49 -0.37 2.45 4.39 -0.85 -1.26 114.58 120.25 3iqf h GLU 239 Ca 0.13 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 3iqf h GLU 239 Cb 0.68 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 3iqf h GLU 239 CO 0.05 0.51 0.12 0.52 -1.16 0.00 0.00 179.01 179.05 3iqf h MET 240 N 0.47 0.56 -0.60 2.33 2.86 -1.01 -2.22 114.93 117.32 3iqf h MET 240 Ca 0.10 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 3iqf h MET 240 Cb 0.30 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3iqf h MET 240 CO 0.01 0.57 0.04 1.98 1.06 0.00 0.00 176.91 180.57 3iqf h MET 241 N 0.44 1.04 -0.75 1.72 1.85 -0.94 0.93 114.93 119.22 3iqf h MET 241 Ca 0.12 -0.31 0.09 0.00 -0.61 0.00 0.00 59.70 58.98 3iqf h MET 241 Cb 0.24 -0.10 -0.07 0.00 0.43 0.00 0.00 31.60 32.10 3iqf h MET 241 CO -0.01 1.00 0.41 -0.09 -0.40 0.00 0.00 176.91 177.82 3iqf h ARG 242 N 0.94 0.68 -0.05 0.39 2.43 -1.17 -0.52 114.38 117.08 3iqf h ARG 242 Ca 0.18 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 3iqf h ARG 242 Cb 0.51 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3iqf h ARG 242 CO 0.02 0.45 -0.68 0.87 -1.51 0.00 0.00 179.97 179.12 3iqf h LYS 243 N 0.70 0.23 -0.83 0.20 1.79 -0.77 -2.33 116.57 115.56 3iqf h LYS 243 Ca 0.36 -0.18 0.03 0.00 -2.18 0.00 0.00 60.65 58.67 3iqf h LYS 243 Cb 0.32 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.96 3iqf h LYS 243 CO -0.24 0.83 0.54 0.00 -1.08 0.00 0.00 179.45 179.49 3iqf h ALA 244 N 1.12 1.08 -0.88 3.86 0.00 -0.38 -1.29 119.26 122.77 3iqf h ALA 244 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3iqf h ALA 244 Cb 1.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3iqf h ALA 244 CO 0.11 0.39 0.45 0.00 0.00 0.00 0.00 179.25 180.20 3iqf h ALA 245 N 1.33 1.14 -0.71 0.00 0.00 -0.92 -1.40 119.26 118.70 3iqf h ALA 245 Ca 0.32 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 245 Cb -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3iqf h ALA 245 CO -0.10 0.67 0.22 0.93 0.00 0.00 0.00 179.25 180.97 3iqf h GLU 246 N 1.25 1.10 -0.83 0.00 5.08 -0.88 -0.59 114.58 119.71 3iqf h GLU 246 Ca 0.31 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3iqf h GLU 246 Cb 0.07 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3iqf h GLU 246 CO -0.04 0.95 0.51 -0.07 -1.00 0.00 0.00 179.01 179.36 3iqf h LEU 247 N 1.04 0.98 -0.32 1.33 3.38 -0.88 0.17 115.31 121.01 3iqf h LEU 247 Ca 0.23 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3iqf h LEU 247 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3iqf h LEU 247 CO -0.01 0.74 0.02 0.00 0.09 0.00 0.00 178.44 179.29 3iqf h ALA 248 N 1.28 0.43 -0.56 1.53 0.00 -1.03 -2.20 119.26 118.71 3iqf h ALA 248 Ca 0.30 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 248 Cb -0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3iqf h ALA 248 CO -0.06 0.16 0.30 0.22 0.00 0.00 0.00 179.25 179.88 3iqf h ASP 249 N 0.36 0.45 -0.77 0.00 3.58 -0.93 -1.38 116.42 117.74 3iqf h ASP 249 Ca 0.09 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.64 3iqf h ASP 249 Cb 0.41 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.33 3iqf h ASP 249 CO 0.01 0.31 0.44 -0.33 -2.88 0.00 0.00 179.24 176.79 3iqf h GLU 250 N 0.58 0.74 -0.26 0.28 5.08 -0.87 0.32 114.58 120.47 3iqf h GLU 250 Ca 0.25 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3iqf h GLU 250 Cb 0.13 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3iqf h GLU 250 CO -0.15 0.49 0.10 0.00 -1.00 0.00 0.00 179.01 178.45 3iqf h ALA 251 N 1.41 0.34 -0.58 3.43 0.00 -1.08 -1.12 119.26 121.66 3iqf h ALA 251 Ca 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iqf h ALA 251 Cb 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3iqf h ALA 251 CO -0.21 -0.06 0.37 -0.09 0.00 0.00 0.00 179.25 179.25 3iqf h ARG 252 N 0.26 0.77 -0.82 0.00 2.43 -0.89 -2.14 114.38 113.99 3iqf h ARG 252 Ca 0.09 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3iqf h ARG 252 Cb 0.19 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3iqf h ARG 252 CO -0.01 0.53 0.54 0.93 -1.51 0.00 0.00 179.97 180.45 3iqf h GLU 253 N 0.78 1.01 -0.82 0.20 4.39 -0.82 -1.68 114.58 117.63 3iqf h GLU 253 Ca 0.21 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 3iqf h GLU 253 Cb -0.06 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.33 3iqf h GLU 253 CO -0.04 0.67 0.50 -0.07 -1.16 0.00 0.00 179.01 178.90 3iqf h LEU 254 N 1.04 0.97 -0.74 1.33 3.38 -0.88 -0.97 115.31 119.43 3iqf h LEU 254 Ca 0.32 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 3iqf h LEU 254 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3iqf h LEU 254 CO -0.09 0.74 0.07 -0.33 0.09 0.00 0.00 178.44 178.92 3iqf h GLU 255 N 1.12 1.02 -0.45 1.13 4.39 -0.78 -2.94 114.58 118.07 3iqf h GLU 255 Ca 0.29 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 3iqf h GLU 255 Cb -0.06 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 3iqf h GLU 255 CO -0.06 0.96 0.00 0.87 -1.16 0.00 0.00 179.01 179.63 3iqf h LYS 256 N 0.95 0.73 0.00 2.33 1.57 -0.98 -0.79 116.57 120.39 3iqf h LYS 256 Ca 0.18 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3iqf h LYS 256 Cb 0.46 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3iqf h LYS 256 CO 0.02 0.74 -0.02 0.66 -0.57 0.00 0.00 179.45 180.28 3iqf h SER 257 N 0.69 0.00 -0.57 0.86 4.64 -1.01 -1.24 113.55 116.93 3iqf h SER 257 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3iqf h SER 257 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3iqf h SER 257 CO 0.02 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.59 3iqf n ASN 258 N -3.25 3.64 -4.19 4.97 3.02 -0.84 -4.96 115.26 113.64 3iqf n ASN 258 Ca -0.02 -2.07 -0.32 0.00 -0.03 0.00 0.00 54.58 52.14 3iqf n ASN 258 Cb 0.15 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 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 1.11 -0.09 -0.81 6.41 2.03 -0.47 -4.89 116.55 119.84 3iqf n ASP 259 Ca 0.20 -1.22 0.05 0.00 0.52 0.00 0.00 54.79 54.34 3iqf n ASP 259 Cb 0.58 -1.97 0.09 0.00 -0.72 0.00 0.00 41.12 39.10 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 -4.59 2.65 -2.32 -1.67 0.00 -0.36 -4.03 120.51 110.19 3iqf n ALA 260 Ca -0.29 -2.41 -0.43 0.00 0.00 0.00 0.00 53.44 50.31 3iqf n ALA 260 Cb 0.68 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.41 3.98 0.22 0.00 1.01 -1.20 -4.61 120.40 118.40 3iqf s VAL 261 Ca 0.28 1.10 -0.31 0.00 0.00 0.00 0.00 61.98 63.06 3iqf s VAL 261 Cb 0.29 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 3iqf s VAL 261 CO -0.07 -0.44 1.55 -0.22 0.00 0.00 0.00 175.10 175.92 3iqf s LEU 262 N 4.72 4.37 -0.03 3.92 2.96 -1.26 -4.29 118.68 129.06 3iqf s LEU 262 Ca 0.61 2.72 0.02 0.00 -0.22 0.00 0.00 54.13 57.27 3iqf s LEU 262 Cb -0.19 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.90 3iqf s LEU 262 CO 0.26 -0.82 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.24 3iqf s ARG 263 N 0.38 1.09 -0.51 1.98 0.52 -0.53 -5.00 118.95 116.88 3iqf s ARG 263 Ca 0.66 -0.32 0.06 0.00 -0.52 0.00 0.00 55.73 55.61 3iqf s ARG 263 Cb -0.45 -1.00 0.22 0.00 0.52 0.00 0.00 34.95 34.24 3iqf s ARG 263 CO 0.38 0.09 0.52 0.25 0.02 0.00 0.00 175.30 176.57 3iqf n THR 264 N 3.42 0.28 -1.94 0.02 -2.24 -1.26 -1.14 114.28 111.41 3iqf n THR 264 Ca -0.19 -4.29 -0.31 0.00 -2.27 0.00 0.00 64.05 56.99 3iqf n THR 264 Cb 0.53 -1.95 0.01 0.00 -2.10 0.00 0.00 70.33 66.82 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 -1.21 3.63 0.16 -0.78 0.04 -1.23 -4.67 135.00 130.93 3iqf s PRO 265 Ca 0.34 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 3iqf s PRO 265 Cb 0.10 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 3iqf s PRO 265 CO -0.12 -0.53 0.61 -1.01 0.04 0.00 0.00 177.00 175.99 3iqf s HIS 266 N -3.11 3.67 0.72 0.56 3.76 -1.26 -0.20 115.29 119.43 3iqf s HIS 266 Ca 0.55 1.22 -0.11 0.00 -0.15 0.00 0.00 55.06 56.57 3iqf s HIS 266 Cb -0.11 -2.48 0.03 0.00 1.11 0.00 0.00 32.58 31.13 3iqf s HIS 266 CO 0.52 0.44 1.11 0.00 -0.85 0.00 0.00 174.74 175.95 3iqf s ALA 267 N -1.40 2.87 0.51 -1.40 0.00 0.40 -4.91 121.76 117.82 3iqf s ALA 267 Ca 0.37 -0.42 0.23 0.00 0.00 0.00 0.00 51.96 52.15 3iqf s ALA 267 Cb -0.17 -3.00 1.32 0.00 0.00 0.00 0.00 23.12 21.28 3iqf s ALA 267 CO 0.20 -1.23 1.98 -1.35 0.00 0.00 0.00 175.76 175.36 3iqf h PRO 268 N -0.71 0.09 -0.00 0.00 0.11 -1.90 0.17 132.00 129.75 3iqf h PRO 268 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3iqf h PRO 268 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3iqf h PRO 268 CO 0.64 0.06 -0.05 -0.40 -0.21 0.00 0.00 178.00 178.04 3iqf n ASP 269 N -4.40 0.34 0.00 -2.05 5.75 -1.26 -0.03 116.55 114.90 3iqf n ASP 269 Ca 0.11 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 3iqf n ASP 269 Cb 0.59 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 1.19 0.98 3.69 6.12 0.00 0.60 -4.64 105.19 113.12 3iqf n GLY 270 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 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 2.19 -2.84 1.61 4.81 -1.26 -4.57 118.16 116.09 3iqf n LYS 271 Ca 0.00 0.78 -0.43 0.00 -0.87 0.00 0.00 58.31 57.79 3iqf n LYS 271 Cb 0.00 -2.47 -0.04 0.00 0.02 0.00 0.00 35.03 32.54 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 -0.03 4.60 0.63 3.15 1.01 -1.26 -0.46 120.40 128.04 3iqf s VAL 272 Ca 0.67 1.05 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 3iqf s VAL 272 Cb -0.61 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 31.50 3iqf s VAL 272 CO 0.49 -0.57 0.89 -0.76 0.00 0.00 0.00 175.10 175.16 3iqf s LEU 273 N 3.44 3.07 -0.08 3.92 1.43 0.72 -4.99 118.68 126.20 3iqf s LEU 273 Ca 0.36 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.40 3iqf s LEU 273 Cb -0.12 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.32 3iqf s LEU 273 CO 0.20 -1.42 0.38 -0.55 0.23 0.00 0.00 176.35 175.19 3iqf s SER 274 N -4.51 -0.33 0.22 2.29 0.15 -1.26 -3.58 113.70 106.68 3iqf s SER 274 Ca 0.60 0.48 -0.20 0.00 0.70 0.00 0.00 55.95 57.53 3iqf s SER 274 Cb -0.10 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 3iqf s SER 274 CO 0.41 -0.31 0.60 -1.59 1.20 0.00 0.00 173.24 173.56 3iqf s LYS 275 N -0.56 1.50 0.03 5.44 -2.85 -0.29 -2.01 119.74 120.99 3iqf s LYS 275 Ca -0.07 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.07 3iqf s LYS 275 Cb -0.04 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 3iqf s LYS 275 CO 0.03 -0.66 0.00 0.54 0.10 0.00 0.00 175.35 175.36 3iqf n ARG 276 N -0.39 0.00 -2.37 1.78 5.12 -1.26 -1.46 116.66 118.08 3iqf n ARG 276 Ca -0.09 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.42 3iqf n ARG 276 Cb 0.62 -0.37 -0.04 0.00 -1.16 0.00 0.00 32.46 31.51 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 -2.00 4.55 0.22 5.56 1.02 -1.26 -3.25 119.74 124.59 3iqf s LYS 277 Ca 0.00 1.93 -0.09 0.00 0.02 0.00 0.00 55.97 57.83 3iqf s LYS 277 Cb 0.00 -3.16 0.32 0.00 -0.52 0.00 0.00 37.83 34.48 3iqf s LYS 277 CO 0.00 0.09 1.70 0.35 -0.92 0.00 0.00 175.35 176.57 3iqf h PHE 278 N 3.73 0.21 -0.20 3.18 3.04 -1.91 -2.14 116.94 122.84 3iqf h PHE 278 Ca -0.47 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.51 3iqf h PHE 278 Cb 1.22 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.73 3iqf h PHE 278 CO 0.58 -0.04 0.00 -1.33 -2.02 0.00 0.00 178.31 175.50 3iqf n MET 279 N -5.14 1.89 -3.43 1.11 2.81 -1.26 -4.90 117.12 108.20 3iqf n MET 279 Ca 0.10 -1.34 -0.35 0.00 -1.81 0.00 0.00 57.70 54.30 3iqf n MET 279 Cb 0.35 -1.42 -0.06 0.00 -0.71 0.00 0.00 33.22 31.38 3iqf n MET 279 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3iqf s GLU 280 N -1.74 3.90 0.34 0.03 -1.05 -0.81 -5.04 118.70 114.33 3iqf s GLU 280 Ca 0.33 0.38 -0.28 0.00 -0.15 0.00 0.00 54.97 55.26 3iqf s GLU 280 Cb 0.18 -2.96 -0.09 0.00 -0.44 0.00 0.00 34.13 30.82 3iqf s GLU 280 CO 0.27 0.51 1.16 -0.51 0.95 0.00 0.00 175.26 177.64 3iqf s ASP 281 N -1.73 6.90 0.27 0.83 1.01 -1.26 -4.90 116.67 117.79 3iqf s ASP 281 Ca 0.36 2.36 -0.29 0.00 0.71 0.00 0.00 52.55 55.69 3iqf s ASP 281 Cb -0.15 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.07 3iqf s ASP 281 CO 0.19 -0.41 1.17 -2.16 0.21 0.00 0.00 175.17 174.17 3iqf s PRO 282 N -1.86 4.54 0.00 8.23 0.04 -1.26 -4.82 135.00 139.87 3iqf s PRO 282 Ca 0.50 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3iqf s PRO 282 Cb -0.32 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3iqf s PRO 282 CO 0.42 0.05 0.00 0.39 0.04 0.00 0.00 177.00 177.90