#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqf s VAL 3 N 0.00 4.08 0.24 12.58 1.01 -1.26 -4.71 120.40 132.34 3iqf s VAL 3 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 3iqf s VAL 3 Cb 0.00 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 3iqf s VAL 3 CO 0.00 0.27 0.86 0.00 0.00 0.00 0.00 175.10 176.23 3iqf s ALA 4 N 1.56 3.35 -0.02 5.51 0.00 0.56 -4.91 121.76 127.81 3iqf s ALA 4 Ca 0.05 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.51 3iqf s ALA 4 Cb -0.16 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3iqf s ALA 4 CO 0.02 0.24 -0.18 0.15 0.00 0.00 0.00 175.76 176.00 3iqf s LYS 5 N -1.54 1.50 -0.02 0.00 1.02 -1.26 -1.14 119.74 118.29 3iqf s LYS 5 Ca 0.42 -0.65 -0.12 0.00 0.02 0.00 0.00 55.97 55.65 3iqf s LYS 5 Cb -0.22 -1.44 0.02 0.00 -0.52 0.00 0.00 37.83 35.67 3iqf s LYS 5 CO 0.26 0.38 0.25 0.00 -0.92 0.00 0.00 175.35 175.32 3iqf s ALA 6 N -0.40 -0.61 -0.13 5.17 0.00 -1.02 0.46 121.76 125.23 3iqf s ALA 6 Ca 0.06 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 3iqf s ALA 6 Cb -0.07 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3iqf s ALA 6 CO -0.01 -0.23 -0.05 0.42 0.00 0.00 0.00 175.76 175.90 3iqf s ILE 7 N -1.18 3.80 -0.17 0.00 1.01 -1.09 -1.56 121.20 122.01 3iqf s ILE 7 Ca -0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 3iqf s ILE 7 Cb -0.06 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 3iqf s ILE 7 CO 0.03 0.53 -0.02 -0.36 0.00 0.00 0.00 174.94 175.11 3iqf s PHE 8 N 0.02 3.04 -0.18 3.97 0.40 0.59 -0.41 117.98 125.40 3iqf s PHE 8 Ca -0.00 -0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 55.94 3iqf s PHE 8 Cb -0.13 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.37 3iqf s PHE 8 CO 0.03 -0.11 -0.04 0.42 0.70 0.00 0.00 175.22 176.22 3iqf s ILE 9 N 0.61 3.67 -0.25 0.64 1.01 0.26 -0.88 121.20 126.26 3iqf s ILE 9 Ca -0.02 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3iqf s ILE 9 Cb -0.14 -2.63 0.06 0.00 0.01 0.00 0.00 42.46 39.75 3iqf s ILE 9 CO 0.02 0.46 -0.10 -0.54 0.00 0.00 0.00 174.94 174.78 3iqf s LYS 10 N 0.80 2.15 -0.11 2.79 1.02 -0.04 -0.87 119.74 125.48 3iqf s LYS 10 Ca -0.01 -1.22 0.02 0.00 0.02 0.00 0.00 55.97 54.78 3iqf s LYS 10 Cb -0.15 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 3iqf s LYS 10 CO 0.02 -0.55 -0.15 0.00 -0.92 0.00 0.00 175.35 173.76 3iqf n GLY 12 N 4.26 -2.22 2.81 0.00 0.00 -0.16 -4.24 105.19 105.63 3iqf n GLY 12 Ca -0.19 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.09 0.11 0.13 1.61 2.47 -1.26 -4.61 114.94 110.29 3iqf s ASN 13 Ca 0.00 0.02 0.04 0.00 0.42 0.00 0.00 52.86 53.34 3iqf s ASN 13 Cb 0.00 -0.07 -0.04 0.00 -1.45 0.00 0.00 41.25 39.69 3iqf s ASN 13 CO 0.00 -0.08 -0.10 -0.22 -3.72 0.00 0.00 177.10 172.98 3iqf s LEU 14 N 0.71 2.47 0.24 3.21 2.96 -1.26 -4.52 118.68 122.50 3iqf s LEU 14 Ca -0.06 -0.92 -0.05 0.00 -0.22 0.00 0.00 54.13 52.88 3iqf s LEU 14 Cb -0.09 -0.34 0.36 0.00 0.50 0.00 0.00 46.19 46.62 3iqf s LEU 14 CO -0.02 -0.30 1.84 1.23 -1.32 0.00 0.00 176.35 177.79 3iqf h GLY 15 N 3.13 1.31 1.20 7.98 0.00 -1.94 -2.09 103.07 112.66 3iqf h GLY 15 Ca -0.37 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.40 3iqf h GLY 15 CO 0.59 0.23 -0.61 -0.84 0.00 0.00 0.00 176.54 175.90 3iqf h THR 16 N 0.93 1.28 -0.08 4.70 2.02 -1.97 -3.00 112.91 116.79 3iqf h THR 16 Ca 0.39 -1.80 -0.13 0.00 0.77 0.00 0.00 66.41 65.63 3iqf h THR 16 Cb 0.23 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3iqf h THR 16 CO -0.20 0.58 -0.53 0.77 0.37 0.00 0.00 175.52 176.52 3iqf h SER 17 N 0.61 0.25 -0.49 4.18 4.64 -1.89 0.64 113.55 121.49 3iqf h SER 17 Ca -0.00 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 3iqf h SER 17 Cb 1.22 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 3iqf h SER 17 CO 0.13 0.73 0.15 -0.03 -0.87 0.00 0.00 176.83 176.94 3iqf h MET 18 N 0.18 0.82 0.00 4.77 -1.53 -1.32 -3.27 114.93 114.58 3iqf h MET 18 Ca 0.00 -0.16 0.00 0.00 -3.44 0.00 0.00 59.70 56.11 3iqf h MET 18 Cb 0.99 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.92 3iqf h MET 18 CO 0.08 0.73 -1.36 -1.33 0.14 0.00 0.00 176.91 175.17 3iqf n MET 19 N -4.29 0.74 -0.18 0.39 2.81 -1.08 -4.78 117.12 110.73 3iqf n MET 19 Ca 0.04 -0.09 -0.02 0.00 -1.81 0.00 0.00 57.70 55.82 3iqf n MET 19 Cb 0.21 -1.41 0.04 0.00 -0.71 0.00 0.00 33.22 31.35 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 -0.03 -0.50 0.03 -0.00 -0.92 0.27 114.93 113.78 3iqf h MET 20 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.61 3iqf h MET 20 Cb 0.65 0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.24 3iqf h MET 20 CO 0.00 -0.02 -0.06 0.38 -0.00 0.00 0.00 176.91 177.21 3iqf h ASP 21 N -0.03 0.87 0.61 -0.10 2.03 -1.86 -3.19 116.42 114.74 3iqf h ASP 21 Ca 0.26 -0.25 -0.10 0.00 -0.73 0.00 0.00 57.03 56.21 3iqf h ASP 21 Cb 0.43 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 3iqf h ASP 21 CO -0.58 0.96 -0.48 0.24 -1.03 0.00 0.00 179.24 178.35 3iqf h MET 22 N 0.80 0.00 0.00 4.15 2.86 -1.29 -2.42 114.93 119.03 3iqf h MET 22 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3iqf h MET 22 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3iqf h MET 22 CO 0.03 0.48 0.00 -0.07 1.06 0.00 0.00 176.91 178.41 3iqf h LEU 23 N 0.00 0.00 0.00 1.22 3.38 -1.37 -2.70 115.31 115.84 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 -0.85 0.18 0.09 0.00 0.00 178.44 177.92 3iqf n LEU 24 N -2.53 0.65 -2.89 1.67 4.77 -0.91 -4.61 117.00 113.15 3iqf n LEU 24 Ca -0.01 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 3iqf n LEU 24 Cb 0.11 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3iqf n LEU 24 CO 0.16 0.10 0.10 -0.67 -1.33 0.00 0.00 177.39 175.74 3iqf n ASP 25 N -1.76 -1.52 0.28 -1.43 2.03 -1.03 -4.98 116.55 108.14 3iqf n ASP 25 Ca 0.03 -3.32 0.18 0.00 0.52 0.00 0.00 54.79 52.21 3iqf n ASP 25 Cb 0.39 1.04 0.88 0.00 -0.72 0.00 0.00 41.12 42.71 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 3.42 0.00 0.00 -0.67 9.09 -1.80 -0.94 114.58 123.69 3iqf h GLU 26 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 3iqf h GLU 26 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 3iqf h GLU 26 CO 0.31 0.00 -0.00 0.54 0.05 0.00 0.00 179.01 179.90 3iqf n ARG 27 N -2.90 2.59 -1.79 1.06 1.74 -1.26 -5.01 116.66 111.09 3iqf n ARG 27 Ca -0.01 -1.59 -0.20 0.00 -0.77 0.00 0.00 57.85 55.28 3iqf n ARG 27 Cb 0.17 -1.04 -0.06 0.00 -1.02 0.00 0.00 32.46 30.51 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 -0.60 -0.38 -0.09 7.54 0.00 -0.36 -4.86 120.51 121.76 3iqf n ALA 28 Ca 0.02 0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.80 3iqf n ALA 28 Cb 0.32 -2.01 0.14 0.00 0.00 0.00 0.00 19.45 17.90 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 -1.35 2.83 -4.72 0.00 5.68 -1.26 -4.96 116.55 112.76 3iqf n ASP 29 Ca -0.21 -1.93 -0.42 0.00 -0.50 0.00 0.00 54.79 51.74 3iqf n ASP 29 Cb 0.66 -0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 3iqf n ASP 29 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3iqf s ARG 30 N -1.00 4.40 0.00 0.11 0.52 -1.26 -4.43 118.95 117.29 3iqf s ARG 30 Ca 0.23 1.94 0.24 0.00 -0.52 0.00 0.00 55.73 57.61 3iqf s ARG 30 Cb 0.12 -3.27 0.16 0.00 0.52 0.00 0.00 34.95 32.48 3iqf s ARG 30 CO 0.16 -0.28 1.22 0.39 0.02 0.00 0.00 175.30 176.81 3iqf n GLU 31 N 3.46 1.93 -0.16 3.54 1.02 0.11 -4.41 120.64 126.13 3iqf n GLU 31 Ca 0.08 -1.58 0.05 0.00 -0.02 0.00 0.00 57.16 55.69 3iqf n GLU 31 Cb 0.44 -1.47 0.14 0.00 -0.02 0.00 0.00 31.44 30.53 3iqf n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3iqf n ASP 32 N 0.85 2.83 -4.04 1.62 3.85 -1.26 -4.79 116.55 115.60 3iqf n ASP 32 Ca 0.13 -1.99 -0.11 0.00 -0.71 0.00 0.00 54.79 52.10 3iqf n ASP 32 Cb 0.55 -0.21 -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 -1.00 0.38 -0.09 2.12 -7.23 -1.26 -0.33 120.40 113.00 3iqf s VAL 33 Ca 0.21 -1.11 -0.04 0.00 -1.81 0.00 0.00 61.98 59.23 3iqf s VAL 33 Cb 0.11 -0.60 0.05 0.00 0.56 0.00 0.00 36.38 36.50 3iqf s VAL 33 CO 0.14 -0.48 0.19 -0.70 -0.31 0.00 0.00 175.10 173.94 3iqf s GLU 34 N -1.79 0.11 0.16 4.82 2.12 -0.29 -4.90 118.70 118.93 3iqf s GLU 34 Ca -0.10 0.51 0.11 0.00 0.36 0.00 0.00 54.97 55.84 3iqf s GLU 34 Cb -0.08 -0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.10 3iqf s GLU 34 CO -0.01 -0.21 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.20 3iqf s PHE 35 N 1.62 2.18 0.07 5.30 2.99 -1.26 -2.42 117.98 126.46 3iqf s PHE 35 Ca -0.05 -0.39 0.10 0.00 0.00 0.00 0.00 56.93 56.59 3iqf s PHE 35 Cb -0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 43.02 41.75 3iqf s PHE 35 CO -0.07 0.40 -0.27 1.03 -0.00 0.00 0.00 175.22 176.32 3iqf s ARG 36 N -2.45 1.66 -0.08 0.44 1.81 -0.60 -4.99 118.95 114.75 3iqf s ARG 36 Ca 0.17 -1.19 0.03 0.00 -1.72 0.00 0.00 55.73 53.01 3iqf s ARG 36 Cb -0.08 -1.94 0.01 0.00 -0.45 0.00 0.00 34.95 32.48 3iqf s ARG 36 CO 0.08 0.49 -0.16 0.08 -0.68 0.00 0.00 175.30 175.10 3iqf s VAL 37 N -0.89 1.46 0.08 3.52 1.01 -1.26 -0.30 120.40 124.01 3iqf s VAL 37 Ca 0.12 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3iqf s VAL 37 Cb -0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3iqf s VAL 37 CO 0.03 0.43 -0.07 0.68 0.00 0.00 0.00 175.10 176.17 3iqf s VAL 38 N 0.59 0.68 0.00 2.92 -7.23 -0.06 -4.97 120.40 112.32 3iqf s VAL 38 Ca -0.15 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3iqf s VAL 38 Cb -0.16 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.39 3iqf s VAL 38 CO 0.05 -0.72 0.00 0.61 -0.31 0.00 0.00 175.10 174.73 3iqf n GLY 39 N 0.39 -1.03 0.66 2.32 0.00 -1.26 -0.86 105.19 105.41 3iqf n GLY 39 Ca -0.15 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.03 2.24 -1.69 2.61 -2.24 -1.14 -4.96 114.28 109.06 3iqf n THR 40 Ca 0.00 -2.92 0.00 0.00 -2.27 0.00 0.00 64.05 58.86 3iqf n THR 40 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.15 0.00 0.09 3.42 2.88 -1.26 -3.05 113.62 114.56 3iqf n SER 41 Ca 0.22 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.88 3iqf n SER 41 Cb 0.77 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.68 3iqf n SER 41 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3iqf n VAL 42 N 0.00 0.64 -2.99 2.46 0.24 -1.26 -0.99 118.33 116.42 3iqf n VAL 42 Ca 0.00 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.34 61.87 3iqf n VAL 42 Cb 0.00 -0.81 -0.05 0.00 -1.47 0.00 0.00 33.84 31.51 3iqf n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3iqf s LYS 43 N -3.16 4.46 -0.02 7.34 1.02 -1.17 -3.44 119.74 124.77 3iqf s LYS 43 Ca 0.08 0.99 0.20 0.00 0.02 0.00 0.00 55.97 57.26 3iqf s LYS 43 Cb 0.12 -3.42 0.34 0.00 -0.52 0.00 0.00 37.83 34.35 3iqf s LYS 43 CO 0.49 0.12 1.14 0.00 -0.92 0.00 0.00 175.35 176.18 3iqf n MET 44 N 3.49 0.16 -1.27 1.68 0.00 -1.26 -3.92 117.12 116.00 3iqf n MET 44 Ca -0.01 -1.93 -0.31 0.00 0.00 0.00 0.00 57.70 55.45 3iqf n MET 44 Cb 0.51 -0.26 0.09 0.00 0.00 0.00 0.00 33.22 33.56 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 -1.93 4.40 0.28 3.17 -4.77 -1.26 -3.83 116.67 112.73 3iqf s ASP 45 Ca 0.28 1.90 0.02 0.00 -3.30 0.00 0.00 52.55 51.45 3iqf s ASP 45 Cb 0.31 -2.53 0.67 0.00 -1.09 0.00 0.00 42.92 40.27 3iqf s ASP 45 CO -0.12 -2.11 1.72 -0.65 0.70 0.00 0.00 175.17 174.71 3iqf h PRO 46 N -1.03 0.49 -0.26 2.11 0.11 -1.86 -1.00 132.00 130.56 3iqf h PRO 46 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3iqf h PRO 46 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3iqf h PRO 46 CO 0.51 0.32 0.09 0.93 -0.21 0.00 0.00 178.00 179.64 3iqf h GLU 47 N 0.50 0.40 -0.43 1.05 3.07 -1.96 -0.25 114.58 116.97 3iqf h GLU 47 Ca 0.53 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 59.25 3iqf h GLU 47 Cb 0.92 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 3iqf h GLU 47 CO -0.46 0.45 0.05 0.00 -1.40 0.00 0.00 179.01 177.64 3iqf h VAL 49 N 0.57 1.26 -0.71 0.00 2.07 -1.09 -0.60 116.25 117.76 3iqf h VAL 49 Ca 0.13 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3iqf h VAL 49 Cb 0.42 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3iqf h VAL 49 CO 0.01 0.39 0.41 -0.08 0.02 0.00 0.00 177.57 178.32 3iqf h GLU 50 N 0.74 0.97 -0.85 1.57 4.81 -1.00 -0.18 114.58 120.66 3iqf h GLU 50 Ca 0.14 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3iqf h GLU 50 Cb 0.54 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3iqf h GLU 50 CO 0.03 0.71 0.55 0.00 -0.73 0.00 0.00 179.01 179.57 3iqf h ALA 51 N 1.21 1.11 -0.29 2.92 0.00 -1.08 -0.05 119.26 123.08 3iqf h ALA 51 Ca 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 51 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3iqf h ALA 51 CO -0.04 0.40 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 3iqf h ALA 52 N 1.35 0.39 -0.32 0.00 0.00 -0.38 -1.53 119.26 118.78 3iqf h ALA 52 Ca 0.33 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3iqf h ALA 52 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3iqf h ALA 52 CO -0.11 0.16 -0.18 0.28 0.00 0.00 0.00 179.25 179.41 3iqf h VAL 53 N 0.31 1.25 -0.52 0.00 2.07 -0.85 -1.75 116.25 116.76 3iqf h VAL 53 Ca 0.08 -1.18 -0.13 0.00 0.82 0.00 0.00 66.70 66.29 3iqf h VAL 53 Cb 0.47 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3iqf h VAL 53 CO 0.02 0.39 -0.17 -0.08 0.02 0.00 0.00 177.57 177.75 3iqf h GLU 54 N 0.52 1.03 -0.44 1.57 4.81 -0.87 -0.46 114.58 120.72 3iqf h GLU 54 Ca 0.08 -0.41 0.07 0.00 -0.13 0.00 0.00 59.36 58.97 3iqf h GLU 54 Cb 0.60 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 3iqf h GLU 54 CO 0.04 1.10 0.11 0.52 -0.73 0.00 0.00 179.01 180.05 3iqf h MET 55 N 0.89 0.25 -0.12 1.92 2.86 -0.97 -0.33 114.93 119.44 3iqf h MET 55 Ca 0.13 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3iqf h MET 55 Cb 0.75 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3iqf h MET 55 CO 0.06 0.16 0.04 0.00 1.06 0.00 0.00 176.91 178.23 3iqf h ALA 56 N 1.32 0.13 -0.03 6.32 0.00 -0.85 -1.25 119.26 124.90 3iqf h ALA 56 Ca 0.22 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3iqf h ALA 56 Cb 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3iqf h ALA 56 CO -0.26 -0.42 -0.60 -0.07 0.00 0.00 0.00 179.25 177.90 3iqf h LEU 57 N 0.09 0.11 -0.14 0.00 3.38 -0.94 0.17 115.31 117.99 3iqf h LEU 57 Ca 0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iqf h LEU 57 Cb 0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3iqf h LEU 57 CO -0.06 0.69 0.07 -0.78 0.09 0.00 0.00 178.44 178.45 3iqf h ASP 58 N 0.07 0.18 -0.61 -0.43 3.58 -0.93 -2.74 116.42 115.54 3iqf h ASP 58 Ca -0.01 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.27 3iqf h ASP 58 Cb 1.08 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 3iqf h ASP 58 CO 0.08 0.23 0.13 0.40 -2.88 0.00 0.00 179.24 177.21 3iqf h ILE 59 N 0.11 1.25 -0.02 2.25 2.04 -0.96 -3.14 117.51 119.04 3iqf h ILE 59 Ca 0.05 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 64.96 3iqf h ILE 59 Cb 0.10 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3iqf h ILE 59 CO -0.01 0.36 0.02 0.00 0.00 0.00 0.00 178.15 178.52 3iqf h ALA 60 N 1.18 1.95 -0.38 1.87 0.00 -0.47 0.94 119.26 124.34 3iqf h ALA 60 Ca 0.20 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3iqf h ALA 60 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3iqf h ALA 60 CO 0.01 -0.03 0.07 0.93 0.00 0.00 0.00 179.25 180.22 3iqf h GLU 61 N 0.00 0.19 0.07 0.00 5.08 -1.44 0.23 114.58 118.70 3iqf h GLU 61 Ca 0.01 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 3iqf h GLU 61 Cb 0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3iqf h GLU 61 CO -0.00 0.12 -1.77 -0.44 -1.00 0.00 0.00 179.01 175.92 3iqf h ASP 62 N 0.19 0.22 0.36 1.42 5.19 -1.63 -3.39 116.42 118.79 3iqf h ASP 62 Ca 0.18 -0.44 -0.21 0.00 -0.62 0.00 0.00 57.03 55.95 3iqf h ASP 62 Cb 0.22 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 3iqf h ASP 62 CO -0.25 1.39 -0.86 0.15 -3.12 0.00 0.00 179.24 176.55 3iqf h PHE 63 N 0.04 0.52 -5.56 4.55 3.57 -0.75 -3.48 116.94 115.83 3iqf h PHE 63 Ca -0.32 -0.27 -0.24 0.00 3.53 0.00 0.00 57.97 60.67 3iqf h PHE 63 Cb 2.02 -0.07 0.16 0.00 2.79 0.00 0.00 35.95 40.85 3iqf h PHE 63 CO 0.04 1.07 -0.76 0.39 -2.23 0.00 0.00 178.31 176.82 3iqf n GLU 64 N -3.76 -1.97 -2.18 1.11 1.02 0.79 -4.97 120.64 110.68 3iqf n GLU 64 Ca -0.05 0.90 -0.35 0.00 -0.02 0.00 0.00 57.16 57.64 3iqf n GLU 64 Cb 0.79 -5.56 0.01 0.00 -0.02 0.00 0.00 31.44 26.66 3iqf n GLU 64 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3iqf s PRO 65 N -4.42 3.27 0.14 3.49 0.04 -1.26 -4.85 135.00 131.42 3iqf s PRO 65 Ca 0.39 1.57 0.02 0.00 0.04 0.00 0.00 61.00 63.02 3iqf s PRO 65 Cb -0.07 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 3iqf s PRO 65 CO 0.76 -0.91 1.32 -0.44 0.04 0.00 0.00 177.00 177.78 3iqf h ASP 66 N 1.01 0.27 -5.22 6.66 5.19 -0.37 -3.47 116.42 120.48 3iqf h ASP 66 Ca -0.49 -0.23 -0.05 0.00 -0.62 0.00 0.00 57.03 55.63 3iqf h ASP 66 Cb 1.26 -0.08 -0.09 0.00 0.18 0.00 0.00 39.33 40.60 3iqf h ASP 66 CO 0.56 1.08 -0.09 0.72 -3.12 0.00 0.00 179.24 178.39 3iqf s PHE 67 N -3.06 0.32 -0.02 4.55 -0.12 -1.20 -4.28 117.98 114.17 3iqf s PHE 67 Ca -0.03 -0.69 0.04 0.00 -0.05 0.00 0.00 56.93 56.20 3iqf s PHE 67 Cb 0.10 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.71 3iqf s PHE 67 CO 0.84 -1.01 -0.14 0.42 -0.05 0.00 0.00 175.22 175.28 3iqf s ILE 68 N -4.01 1.12 -0.13 -4.49 1.01 -0.15 -2.66 121.20 111.89 3iqf s ILE 68 Ca 0.22 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3iqf s ILE 68 Cb -0.01 -0.96 -0.00 0.00 0.01 0.00 0.00 42.46 41.50 3iqf s ILE 68 CO 0.09 0.33 -0.17 -0.69 0.00 0.00 0.00 174.94 174.49 3iqf s VAL 69 N -0.09 2.57 -0.21 2.92 1.01 0.45 -1.43 120.40 125.62 3iqf s VAL 69 Ca 0.01 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 3iqf s VAL 69 Cb -0.08 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3iqf s VAL 69 CO 0.00 0.53 0.04 -0.47 0.00 0.00 0.00 175.10 175.20 3iqf s TYR 70 N 0.57 3.10 -0.03 5.22 6.14 -0.36 0.89 117.35 132.88 3iqf s TYR 70 Ca -0.10 -0.32 0.03 0.00 0.64 0.00 0.00 57.07 57.32 3iqf s TYR 70 Cb -0.16 -2.13 0.00 0.00 0.42 0.00 0.00 41.96 40.09 3iqf s TYR 70 CO 0.04 -0.19 -0.11 0.20 0.64 0.00 0.00 175.55 176.13 3iqf s GLY 71 N 1.06 0.62 0.00 8.97 0.00 -0.05 0.07 107.32 117.98 3iqf s GLY 71 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.34 3iqf s GLY 71 CO 0.02 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.59 3iqf n GLY 72 N 3.26 -2.47 3.76 0.20 0.00 -0.98 -2.63 105.19 106.33 3iqf n GLY 72 Ca -0.18 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 3iqf n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iqf s PRO 73 N -1.99 2.94 -0.45 1.61 0.02 -1.26 -4.24 135.00 131.63 3iqf s PRO 73 Ca 0.00 1.69 -0.32 0.00 0.02 0.00 0.00 61.00 62.39 3iqf s PRO 73 Cb 0.00 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 32.63 3iqf s PRO 73 CO 0.00 -1.20 0.65 -1.71 -0.33 0.00 0.00 177.00 174.41 3iqf n ASN 74 N -1.80 -6.26 0.04 2.53 2.85 -1.26 -4.85 115.26 106.52 3iqf n ASN 74 Ca 0.13 0.05 0.21 0.00 -0.11 0.00 0.00 54.58 54.86 3iqf n ASN 74 Cb 0.50 -2.81 0.64 0.00 1.24 0.00 0.00 39.78 39.35 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 2.04 0.00 -0.00 1.20 0.11 -1.86 -0.82 132.00 132.67 3iqf h PRO 75 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3iqf h PRO 75 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3iqf h PRO 75 CO 0.22 0.00 -0.31 0.00 -0.21 0.00 0.00 178.00 177.70 3iqf n ALA 76 N -2.23 3.12 -1.56 -0.75 0.00 -1.26 -3.37 120.51 114.45 3iqf n ALA 76 Ca 0.11 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 3iqf n ALA 76 Cb 0.87 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.88 2.51 0.21 0.00 0.00 -0.32 -4.79 121.76 116.49 3iqf s ALA 77 Ca 0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 3iqf s ALA 77 Cb 0.18 -3.15 0.27 0.00 0.00 0.00 0.00 23.12 20.42 3iqf s ALA 77 CO 0.61 -1.43 1.76 -1.35 0.00 0.00 0.00 175.76 175.36 3iqf h PRO 78 N -0.87 0.47 0.73 0.00 0.11 -1.90 0.38 132.00 130.91 3iqf h PRO 78 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3iqf h PRO 78 Cb 1.23 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.24 3iqf h PRO 78 CO 0.58 0.31 -0.35 0.78 -0.21 0.00 0.00 178.00 179.11 3iqf h GLY 79 N 0.48 -1.02 0.26 -0.55 0.00 -1.84 -2.54 103.07 97.87 3iqf h GLY 79 Ca 0.30 0.38 0.19 0.00 0.00 0.00 0.00 47.33 48.21 3iqf h GLY 79 CO -0.27 -0.37 0.61 -2.55 0.00 0.00 0.00 176.54 173.96 3iqf h PRO 80 N -1.04 0.53 -0.83 4.80 0.11 -1.75 -1.73 132.00 132.08 3iqf h PRO 80 Ca -0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 3iqf h PRO 80 Cb 0.75 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.70 3iqf h PRO 80 CO 0.16 0.35 0.45 0.77 -0.21 0.00 0.00 178.00 179.52 3iqf h SER 81 N 0.54 1.04 -0.66 -2.05 0.02 -0.83 -0.42 113.55 111.19 3iqf h SER 81 Ca 0.50 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.28 3iqf h SER 81 Cb 1.06 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 3iqf h SER 81 CO -0.24 0.84 0.11 0.50 -1.14 0.00 0.00 176.83 176.90 3iqf h LYS 82 N 1.17 1.09 -0.61 3.45 1.63 -0.90 -1.43 116.57 120.97 3iqf h LYS 82 Ca 0.29 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3iqf h LYS 82 Cb 0.03 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 3iqf h LYS 82 CO -0.05 1.00 0.33 0.00 -3.45 0.00 0.00 179.45 177.28 3iqf h ALA 83 N 1.04 0.78 -0.05 5.00 0.00 -0.85 -1.55 119.26 123.62 3iqf h ALA 83 Ca 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iqf h ALA 83 Cb 0.44 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3iqf h ALA 83 CO 0.01 0.30 0.03 0.00 0.00 0.00 0.00 179.25 179.59 3iqf h ARG 84 N 0.82 0.07 -0.03 0.00 3.08 -0.82 0.03 114.38 117.54 3iqf h ARG 84 Ca 0.21 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.28 3iqf h ARG 84 Cb 0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3iqf h ARG 84 CO -0.03 0.08 -0.10 1.49 -1.07 0.00 0.00 179.97 180.34 3iqf h GLU 85 N 0.04 -0.15 -0.60 0.04 4.81 -1.21 0.23 114.58 117.74 3iqf h GLU 85 Ca 0.02 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3iqf h GLU 85 Cb 0.03 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3iqf h GLU 85 CO -0.00 -0.10 0.38 0.52 -0.73 0.00 0.00 179.01 179.07 3iqf h MET 86 N -0.16 0.73 -0.07 1.92 2.86 -1.18 -1.93 114.93 117.10 3iqf h MET 86 Ca 0.05 -0.04 -0.22 0.00 -2.06 0.00 0.00 59.70 57.43 3iqf h MET 86 Cb 0.22 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3iqf h MET 86 CO -0.12 0.48 -0.84 -0.07 1.06 0.00 0.00 176.91 177.42 3iqf h LEU 87 N 0.75 0.67 -0.98 1.22 3.38 -0.72 -2.41 115.31 117.23 3iqf h LEU 87 Ca 0.24 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3iqf h LEU 87 Cb -0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3iqf h LEU 87 CO -0.09 1.26 0.63 0.00 0.09 0.00 0.00 178.44 180.33 3iqf h ALA 88 N 0.72 1.24 0.00 1.53 0.00 -0.49 -2.42 119.26 119.83 3iqf h ALA 88 Ca -0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3iqf h ALA 88 Cb 1.45 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3iqf h ALA 88 CO 0.15 0.65 -0.32 -0.44 0.00 0.00 0.00 179.25 179.30 3iqf h ASP 89 N 1.33 0.00 -3.89 0.00 3.32 -1.27 -3.46 116.42 112.46 3iqf h ASP 89 Ca 0.36 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.96 3iqf h ASP 89 Cb -0.13 0.00 0.16 0.00 0.22 0.00 0.00 39.33 39.58 3iqf h ASP 89 CO -0.07 0.32 0.22 -0.94 -1.72 0.00 0.00 179.24 177.05 3iqf s SER 90 N -6.67 2.42 0.00 6.45 1.04 -0.91 -4.95 113.70 111.08 3iqf s SER 90 Ca -0.02 0.89 0.28 0.00 0.48 0.00 0.00 55.95 57.57 3iqf s SER 90 Cb 0.13 -1.37 1.24 0.00 0.10 0.00 0.00 66.02 66.13 3iqf s SER 90 CO 0.69 -3.22 1.90 -0.62 0.98 0.00 0.00 173.24 172.97 3iqf n GLU 91 N -4.20 0.12 -3.66 4.02 1.02 -1.26 -4.87 120.64 111.82 3iqf n GLU 91 Ca 0.08 0.03 -0.36 0.00 -0.02 0.00 0.00 57.16 56.89 3iqf n GLU 91 Cb 0.59 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.43 3iqf n GLU 91 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3iqf s TYR 92 N -2.87 3.45 0.35 -0.32 2.02 -1.26 -5.06 117.35 113.65 3iqf s TYR 92 Ca 0.17 0.47 -0.28 0.00 -0.37 0.00 0.00 57.07 57.06 3iqf s TYR 92 Cb 0.18 -2.22 -0.12 0.00 -0.40 0.00 0.00 41.96 39.40 3iqf s TYR 92 CO 0.48 0.31 1.34 -2.30 -1.57 0.00 0.00 175.55 173.81 3iqf n PRO 93 N 3.40 2.27 -3.95 -1.71 -0.02 -1.26 -4.83 135.00 128.91 3iqf n PRO 93 Ca -0.15 0.80 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 3iqf n PRO 93 Cb 0.52 -2.42 -0.11 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.08 0.04 -0.07 3.55 0.00 -1.26 -0.98 121.76 121.96 3iqf s ALA 94 Ca 0.55 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.14 3iqf s ALA 94 Cb -0.55 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 3iqf s ALA 94 CO 0.62 -0.14 -0.20 0.08 0.00 0.00 0.00 175.76 176.12 3iqf s VAL 95 N -1.17 1.74 -0.32 0.00 1.01 -0.51 -1.50 120.40 119.64 3iqf s VAL 95 Ca -0.13 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 3iqf s VAL 95 Cb -0.08 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3iqf s VAL 95 CO -0.01 0.49 0.22 -0.63 0.00 0.00 0.00 175.10 175.17 3iqf s ILE 96 N 0.19 5.19 -0.18 2.22 -1.09 0.51 -1.23 121.20 126.81 3iqf s ILE 96 Ca -0.11 -0.17 -0.18 0.00 -2.23 0.00 0.00 60.65 57.97 3iqf s ILE 96 Cb -0.15 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 3iqf s ILE 96 CO 0.05 0.06 0.49 -0.63 -1.23 0.00 0.00 174.94 173.68 3iqf s ILE 97 N 1.71 5.14 0.00 2.92 -1.09 0.11 -1.02 121.20 128.97 3iqf s ILE 97 Ca 0.06 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.40 3iqf s ILE 97 Cb -0.17 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 3iqf s ILE 97 CO 0.10 0.22 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 3iqf n GLY 98 N 3.75 3.39 0.31 6.18 0.00 -0.50 -2.31 105.19 116.00 3iqf n GLY 98 Ca -0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.35 2.05 -0.35 1.61 3.85 -1.26 -0.87 116.55 121.23 3iqf n ASP 99 Ca 0.00 -1.19 -0.01 0.00 -0.71 0.00 0.00 54.79 52.88 3iqf n ASP 99 Cb 0.00 0.03 0.12 0.00 -1.35 0.00 0.00 41.12 39.92 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 1.24 -0.12 2.12 0.00 -1.79 -1.35 119.26 120.39 3iqf h ALA 100 Ca -0.04 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3iqf h ALA 100 Cb 0.11 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3iqf h ALA 100 CO 0.06 0.53 0.32 -1.35 0.00 0.00 0.00 179.25 178.81 3iqf h PRO 101 N 1.23 0.00 0.00 0.00 0.11 -1.96 -0.67 132.00 130.71 3iqf h PRO 101 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3iqf h PRO 101 Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3iqf h PRO 101 CO -0.11 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.46 3iqf h GLY 102 N 0.00 0.00 1.83 -0.55 0.00 -1.59 -2.97 103.07 99.79 3iqf h GLY 102 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.39 3iqf h GLY 102 CO -0.00 0.00 0.10 1.41 0.00 0.00 0.00 176.54 178.05 3iqf h LEU 103 N 0.00 0.15 -2.60 3.11 3.38 -1.28 -2.00 115.31 116.07 3iqf h LEU 103 Ca 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3iqf h LEU 103 Cb 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3iqf h LEU 103 CO 0.00 0.11 0.05 0.11 0.09 0.00 0.00 178.44 178.79 3iqf h LYS 104 N 0.17 0.00 0.00 1.13 1.57 -1.73 -2.77 116.57 114.94 3iqf h LYS 104 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3iqf h LYS 104 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3iqf h LYS 104 CO -0.01 0.00 -0.19 1.33 -0.57 0.00 0.00 179.45 180.01 3iqf n VAL 105 N -3.52 1.89 -0.02 0.50 0.24 -0.76 -4.79 118.33 111.87 3iqf n VAL 105 Ca -0.02 -2.47 -0.12 0.00 -2.04 0.00 0.00 64.34 59.69 3iqf n VAL 105 Cb 0.13 -0.19 -0.06 0.00 -1.47 0.00 0.00 33.84 32.24 3iqf n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3iqf h LYS 106 N 0.33 0.17 -0.49 7.34 3.64 -1.40 0.91 116.57 127.06 3iqf h LYS 106 Ca -0.00 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 3iqf h LYS 106 Cb 1.03 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 3iqf h LYS 106 CO 0.00 0.32 -0.09 -0.44 -2.27 0.00 0.00 179.45 176.97 3iqf h ASP 107 N -0.01 0.89 -0.41 4.20 3.32 -1.87 -1.90 116.42 120.64 3iqf h ASP 107 Ca 0.04 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.85 3iqf h ASP 107 Cb 0.22 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3iqf h ASP 107 CO -0.00 1.00 0.21 -0.08 -1.72 0.00 0.00 179.24 178.64 3iqf h GLU 108 N 0.81 0.40 -0.81 3.56 4.81 -1.85 -1.08 114.58 120.42 3iqf h GLU 108 Ca 0.14 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3iqf h GLU 108 Cb 0.60 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 3iqf h GLU 108 CO 0.04 0.27 0.54 0.52 -0.73 0.00 0.00 179.01 179.65 3iqf h MET 109 N 0.42 1.07 -0.48 1.92 2.86 -0.48 0.14 114.93 120.38 3iqf h MET 109 Ca 0.17 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3iqf h MET 109 Cb 0.08 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 3iqf h MET 109 CO -0.12 0.71 0.28 0.93 1.06 0.00 0.00 176.91 179.77 3iqf h GLU 110 N 1.10 0.65 -0.90 1.72 5.08 -1.01 -1.58 114.58 119.64 3iqf h GLU 110 Ca 0.30 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 3iqf h GLU 110 Cb -0.12 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 28.95 3iqf h GLU 110 CO -0.07 0.49 0.59 1.49 -1.00 0.00 0.00 179.01 180.51 3iqf h GLU 111 N 0.64 1.13 0.00 2.33 4.81 -0.75 -0.56 114.58 122.17 3iqf h GLU 111 Ca 0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3iqf h GLU 111 Cb 0.01 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.13 3iqf h GLU 111 CO -0.03 0.75 0.00 1.04 -0.73 0.00 0.00 179.01 180.04 3iqf n GLN 112 N -4.42 0.09 -1.60 1.92 6.02 0.45 -4.89 117.38 114.95 3iqf n GLN 112 Ca 0.11 0.17 -0.04 0.00 -0.01 0.00 0.00 57.00 57.23 3iqf n GLN 112 Cb 0.07 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 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 0.31 0.45 3.90 1.08 0.00 -0.22 -4.74 105.19 105.97 3iqf n GLY 113 Ca 0.06 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.08 4.36 0.65 0.99 1.43 -0.65 -4.76 118.68 119.63 3iqf s LEU 114 Ca 0.00 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.38 3iqf s LEU 114 Cb 0.00 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.48 3iqf s LEU 114 CO 0.00 0.23 1.02 -0.83 0.23 0.00 0.00 176.35 176.99 3iqf s GLY 115 N -2.06 1.62 -0.01 -3.19 0.00 -0.56 -4.33 107.32 98.79 3iqf s GLY 115 Ca 0.30 -0.42 -0.19 0.00 0.00 0.00 0.00 44.72 44.41 3iqf s GLY 115 CO 0.21 -0.10 0.41 -2.52 0.00 0.00 0.00 173.10 171.09 3iqf s TYR 116 N -3.20 -0.30 -0.23 1.90 1.13 0.31 -0.37 117.35 116.60 3iqf s TYR 116 Ca 0.56 0.43 -0.00 0.00 -1.41 0.00 0.00 57.07 56.65 3iqf s TYR 116 Cb -0.11 0.19 0.06 0.00 -1.10 0.00 0.00 41.96 41.00 3iqf s TYR 116 CO 0.50 -0.47 -0.01 0.42 -2.51 0.00 0.00 175.55 173.47 3iqf s ILE 117 N -1.54 1.19 -0.24 -3.49 1.01 -0.19 -1.01 121.20 116.93 3iqf s ILE 117 Ca -0.11 -1.05 -0.07 0.00 0.00 0.00 0.00 60.65 59.42 3iqf s ILE 117 Cb -0.03 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3iqf s ILE 117 CO 0.04 -0.18 0.07 -0.76 0.00 0.00 0.00 174.94 174.11 3iqf s LEU 118 N 1.54 3.48 -0.45 2.97 1.43 0.57 -1.41 118.68 126.82 3iqf s LEU 118 Ca -0.03 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3iqf s LEU 118 Cb -0.18 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 44.23 3iqf s LEU 118 CO -0.08 -0.01 0.27 -0.69 0.23 0.00 0.00 176.35 176.07 3iqf s VAL 119 N 1.47 3.62 0.16 -1.59 1.01 -0.05 0.13 120.40 125.15 3iqf s VAL 119 Ca 0.06 -2.05 -0.15 0.00 0.00 0.00 0.00 61.98 59.83 3iqf s VAL 119 Cb -0.15 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.83 3iqf s VAL 119 CO 0.04 -0.74 1.78 0.11 0.00 0.00 0.00 175.10 176.29 3iqf h LYS 120 N 8.09 0.65 0.00 2.72 1.57 -1.42 -1.72 116.57 126.46 3iqf h LYS 120 Ca -0.14 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3iqf h LYS 120 Cb 1.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3iqf h LYS 120 CO 0.75 0.50 0.00 -2.30 -0.57 0.00 0.00 179.45 177.82 3iqf n PRO 121 N -4.69 0.16 -2.20 3.15 -0.02 -1.26 -4.24 135.00 125.89 3iqf n PRO 121 Ca 0.02 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 3iqf n PRO 121 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3iqf n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iqf n ASP 122 N -1.24 4.49 -4.80 2.55 -0.08 -0.64 -4.39 116.55 112.44 3iqf n ASP 122 Ca 0.05 -2.91 -0.37 0.00 -1.51 0.00 0.00 54.79 50.05 3iqf n ASP 122 Cb 0.07 -1.67 -0.06 0.00 2.34 0.00 0.00 41.12 41.80 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 3.20 3.38 0.38 -1.67 0.00 -1.26 -4.75 121.76 121.03 3iqf s ALA 123 Ca 0.49 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 3iqf s ALA 123 Cb 0.09 -2.94 -0.11 0.00 0.00 0.00 0.00 23.12 20.15 3iqf s ALA 123 CO -0.01 0.28 1.50 -0.12 0.00 0.00 0.00 175.76 177.41 3iqf n MET 124 N 0.96 2.70 -2.28 0.00 1.56 -1.26 -4.92 117.12 113.89 3iqf n MET 124 Ca -0.02 0.95 -0.26 0.00 -0.27 0.00 0.00 57.70 58.09 3iqf n MET 124 Cb 0.50 -2.68 0.14 0.00 2.15 0.00 0.00 33.22 33.33 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 -2.09 2.85 -1.32 -0.89 0.05 -1.26 -4.49 118.68 111.53 3iqf s LEU 125 Ca 0.53 -0.05 -0.12 0.00 0.05 0.00 0.00 54.13 54.54 3iqf s LEU 125 Cb -0.47 -2.16 0.13 0.00 -2.05 0.00 0.00 46.19 41.63 3iqf s LEU 125 CO 0.64 -2.25 1.92 0.61 -0.55 0.00 0.00 176.35 176.72 3iqf n GLY 126 N -3.26 4.41 2.85 -3.48 0.00 -1.26 -4.84 105.19 99.60 3iqf n GLY 126 Ca 0.15 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 4.90 5.30 -2.87 4.61 0.00 -1.26 -4.23 120.51 126.97 3iqf n ALA 127 Ca 0.43 -3.98 -0.30 0.00 0.00 0.00 0.00 53.44 49.59 3iqf n ALA 127 Cb 0.38 -3.42 -0.16 0.00 0.00 0.00 0.00 19.45 16.25 3iqf n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iqf s ARG 128 N 2.66 2.42 0.46 0.00 1.81 -1.26 -4.94 118.95 120.09 3iqf s ARG 128 Ca 0.46 -0.82 0.21 0.00 -1.72 0.00 0.00 55.73 53.87 3iqf s ARG 128 Cb 0.12 -2.01 1.21 0.00 -0.45 0.00 0.00 34.95 33.82 3iqf s ARG 128 CO -0.05 0.31 1.90 -0.09 -0.68 0.00 0.00 175.30 176.69 3iqf h ARG 129 N 6.24 0.25 0.00 3.54 2.43 -1.90 0.26 114.38 125.20 3iqf h ARG 129 Ca -0.30 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3iqf h ARG 129 Cb 1.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3iqf h ARG 129 CO 0.47 0.16 0.00 0.93 -1.51 0.00 0.00 179.97 180.03 3iqf h GLU 130 N 0.25 0.00 0.00 0.20 3.07 -1.96 -3.35 114.58 112.79 3iqf h GLU 130 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3iqf h GLU 130 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3iqf h GLU 130 CO -0.10 0.00 -0.89 0.34 -1.40 0.00 0.00 179.01 176.96 3iqf n PHE 131 N -2.32 -0.01 -2.82 4.33 7.35 -0.35 -5.00 117.46 118.65 3iqf n PHE 131 Ca 0.03 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.29 3iqf n PHE 131 Cb 0.30 0.01 -0.04 0.00 0.35 0.00 0.00 39.48 40.10 3iqf n PHE 131 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iqf s LEU 132 N -6.06 4.19 0.52 -2.13 2.96 0.79 -4.86 118.68 114.08 3iqf s LEU 132 Ca 0.00 -0.81 0.09 0.00 -0.22 0.00 0.00 54.13 53.19 3iqf s LEU 132 Cb 0.00 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.23 3iqf s LEU 132 CO 0.00 -1.44 0.64 1.51 -1.32 0.00 0.00 176.35 175.74 3iqf s ASP 133 N 3.52 5.17 0.23 3.68 -4.77 -1.26 -4.67 116.67 118.57 3iqf s ASP 133 Ca 0.25 -0.78 -0.06 0.00 -3.30 0.00 0.00 52.55 48.65 3iqf s ASP 133 Cb -0.15 -0.01 0.40 0.00 -1.09 0.00 0.00 42.92 42.06 3iqf s ASP 133 CO 0.12 -1.10 1.71 -0.65 0.70 0.00 0.00 175.17 175.96 3iqf h PRO 134 N 0.45 0.34 -0.20 2.11 0.11 -1.99 -0.88 132.00 131.94 3iqf h PRO 134 Ca -0.34 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 3iqf h PRO 134 Cb 1.29 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3iqf h PRO 134 CO 0.46 0.22 0.12 0.28 -0.21 0.00 0.00 178.00 178.87 3iqf h VAL 135 N 0.35 1.08 -0.63 3.15 2.07 -1.98 -0.59 116.25 119.69 3iqf h VAL 135 Ca 0.38 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 3iqf h VAL 135 Cb 0.58 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3iqf h VAL 135 CO -0.42 0.08 0.38 -0.08 0.02 0.00 0.00 177.57 177.54 3iqf h GLU 136 N 0.25 0.86 -0.54 1.57 4.57 -1.79 0.60 114.58 120.09 3iqf h GLU 136 Ca 0.07 -0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3iqf h GLU 136 Cb 0.02 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.37 3iqf h GLU 136 CO -0.01 0.62 0.21 1.98 -1.18 0.00 0.00 179.01 180.63 3iqf h MET 137 N 0.85 0.39 -0.57 1.92 4.05 -0.84 -1.32 114.93 119.41 3iqf h MET 137 Ca 0.23 -0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.51 3iqf h MET 137 Cb -0.02 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 3iqf h MET 137 CO -0.04 0.26 -0.07 0.00 0.23 0.00 0.00 176.91 177.29 3iqf h ALA 138 N 1.35 0.78 -0.50 0.39 0.00 -0.54 -1.64 119.26 119.10 3iqf h ALA 138 Ca 0.26 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iqf h ALA 138 Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3iqf h ALA 138 CO -0.25 0.68 0.31 0.82 0.00 0.00 0.00 179.25 180.80 3iqf h ILE 139 N 0.95 1.07 -0.30 0.00 2.04 -0.64 -0.07 117.51 120.55 3iqf h ILE 139 Ca 0.15 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3iqf h ILE 139 Cb 0.64 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3iqf h ILE 139 CO 0.04 0.11 0.17 0.22 0.00 0.00 0.00 178.15 178.69 3iqf h TYR 140 N 0.61 0.41 -0.84 1.37 3.20 -1.10 -1.55 116.97 119.07 3iqf h TYR 140 Ca 0.20 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3iqf h TYR 140 Cb -0.00 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 3iqf h TYR 140 CO -0.06 0.33 0.56 -0.91 -1.64 0.00 0.00 178.16 176.44 3iqf h ASN 141 N 0.37 0.95 -0.29 -2.11 2.35 -0.98 0.35 115.58 116.23 3iqf h ASN 141 Ca 0.11 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3iqf h ASN 141 Cb 0.05 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3iqf h ASN 141 CO -0.02 0.68 0.12 0.00 -1.65 0.00 0.00 177.43 176.56 3iqf h ALA 142 N 1.48 0.38 -0.27 -0.83 0.00 -0.41 0.53 119.26 120.15 3iqf h ALA 142 Ca 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iqf h ALA 142 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3iqf h ALA 142 CO -0.08 -0.02 0.16 -0.44 0.00 0.00 0.00 179.25 178.87 3iqf h ASP 143 N 0.33 0.34 -0.62 0.00 3.32 -1.03 -2.04 116.42 116.71 3iqf h ASP 143 Ca 0.10 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3iqf h ASP 143 Cb 0.18 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3iqf h ASP 143 CO -0.01 0.31 0.41 0.25 -1.72 0.00 0.00 179.24 178.49 3iqf h LEU 144 N 0.33 0.72 -0.92 1.55 5.85 -0.82 -1.15 115.31 120.88 3iqf h LEU 144 Ca 0.10 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3iqf h LEU 144 Cb 0.04 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3iqf h LEU 144 CO -0.02 0.52 0.43 -0.03 -0.34 0.00 0.00 178.44 179.00 3iqf h MET 145 N 0.85 1.20 -0.41 1.25 4.05 -0.79 0.94 114.93 122.01 3iqf h MET 145 Ca 0.23 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3iqf h MET 145 Cb -0.10 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.46 3iqf h MET 145 CO -0.05 0.90 0.25 -0.22 0.23 0.00 0.00 176.91 178.02 3iqf h LYS 146 N 1.19 0.55 0.37 0.39 1.63 -0.99 -0.77 116.57 118.95 3iqf h LYS 146 Ca 0.29 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 3iqf h LYS 146 Cb 0.08 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3iqf h LYS 146 CO -0.04 0.41 -0.22 0.28 -3.45 0.00 0.00 179.45 176.43 3iqf h VAL 147 N 0.54 0.55 -0.05 2.00 2.07 -0.42 0.28 116.25 121.22 3iqf h VAL 147 Ca 0.15 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 3iqf h VAL 147 Cb -0.01 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3iqf h VAL 147 CO -0.03 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.25 3iqf h LEU 148 N -0.56 0.08 0.04 2.57 3.38 -0.75 -2.31 115.31 117.76 3iqf h LEU 148 Ca -0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3iqf h LEU 148 Cb 0.45 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3iqf h LEU 148 CO 0.05 0.33 -0.02 0.00 0.09 0.00 0.00 178.44 178.89 3iqf h ALA 149 N 1.68 -0.06 0.00 1.53 0.00 -1.05 -0.51 119.26 120.85 3iqf h ALA 149 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iqf h ALA 149 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iqf h ALA 149 CO 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3iqf h ALA 150 N -0.65 1.00 0.00 0.00 0.00 -0.96 -2.34 119.26 116.31 3iqf h ALA 150 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iqf h ALA 150 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3iqf h ALA 150 CO 0.01 0.00 -0.06 1.79 0.00 0.00 0.00 179.25 180.99 3iqf h THR 151 N 0.00 0.00 0.00 0.00 1.35 -1.59 -3.44 112.91 109.23 3iqf h THR 151 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3iqf h THR 151 Cb 0.65 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 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 1.28 0.49 0.23 5.82 0.00 -0.88 -4.98 105.19 107.15 3iqf n GLY 152 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 3iqf n GLY 152 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iqf h VAL 153 N 0.00 1.15 -0.04 1.61 2.07 -1.64 -1.15 116.25 118.25 3iqf h VAL 153 Ca 0.00 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3iqf h VAL 153 Cb 0.00 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3iqf h VAL 153 CO 0.00 0.14 0.03 -0.26 0.02 0.00 0.00 177.57 177.50 3iqf h PHE 154 N 0.76 0.00 -0.32 1.57 0.05 -1.37 -1.49 116.94 116.14 3iqf h PHE 154 Ca 0.20 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.87 3iqf h PHE 154 Cb -0.07 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.86 3iqf h PHE 154 CO -0.03 0.00 -0.33 -0.09 -0.18 0.00 0.00 178.31 177.68 3iqf h ARG 155 N 0.00 0.70 -0.65 1.51 2.43 -1.50 0.54 114.38 117.40 3iqf h ARG 155 Ca 0.02 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 3iqf h ARG 155 Cb 0.07 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3iqf h ARG 155 CO -0.00 0.93 0.34 0.28 -1.51 0.00 0.00 179.97 180.01 3iqf h VAL 156 N 0.59 1.21 -0.29 0.20 2.07 -0.84 -0.63 116.25 118.56 3iqf h VAL 156 Ca 0.06 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3iqf h VAL 156 Cb 0.84 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3iqf h VAL 156 CO 0.07 0.23 -0.04 0.58 0.02 0.00 0.00 177.57 178.44 3iqf h VAL 157 N 0.89 1.27 -0.09 2.57 2.07 -1.20 -2.11 116.25 119.65 3iqf h VAL 157 Ca 0.23 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.76 3iqf h VAL 157 Cb 0.06 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3iqf h VAL 157 CO -0.03 0.33 -0.21 -0.61 0.02 0.00 0.00 177.57 177.06 3iqf h GLN 158 N 0.32 -0.28 -0.82 1.57 4.15 -0.72 -1.93 115.11 117.41 3iqf h GLN 158 Ca 0.08 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.60 3iqf h GLN 158 Cb 0.50 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.19 3iqf h GLN 158 CO 0.02 -0.19 0.48 0.93 -1.93 0.00 0.00 178.83 178.14 3iqf h GLU 159 N -0.29 0.80 -0.36 1.69 5.08 -1.07 -0.19 114.58 120.25 3iqf h GLU 159 Ca 0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3iqf h GLU 159 Cb 0.42 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3iqf h GLU 159 CO -0.26 0.53 0.11 0.00 -1.00 0.00 0.00 179.01 178.39 3iqf h ALA 160 N 1.43 0.47 -0.29 3.43 0.00 -0.94 -1.59 119.26 121.77 3iqf h ALA 160 Ca 0.38 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 3iqf h ALA 160 Cb 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3iqf h ALA 160 CO -0.22 0.11 -0.48 0.74 0.00 0.00 0.00 179.25 179.40 3iqf h PHE 161 N 0.42 0.98 -0.75 0.00 -1.00 -1.05 -2.44 116.94 113.11 3iqf h PHE 161 Ca 0.11 -0.32 -0.02 0.00 2.81 0.00 0.00 57.97 60.55 3iqf h PHE 161 Cb 0.26 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.59 3iqf h PHE 161 CO 0.01 1.12 0.40 -0.44 -1.61 0.00 0.00 178.31 177.79 3iqf h ASP 162 N 0.63 0.93 -0.52 2.17 3.45 -0.94 0.24 116.42 122.38 3iqf h ASP 162 Ca 0.03 -0.08 -0.04 0.00 0.43 0.00 0.00 57.03 57.37 3iqf h ASP 162 Cb 1.06 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.57 3iqf h ASP 162 CO 0.10 0.76 0.18 -0.33 -1.57 0.00 0.00 179.24 178.38 3iqf h GLU 163 N 1.05 0.80 -0.63 3.56 5.08 -1.22 -1.68 114.58 121.55 3iqf h GLU 163 Ca 0.26 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3iqf h GLU 163 Cb 0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3iqf h GLU 163 CO -0.04 0.73 0.10 1.25 -1.00 0.00 0.00 179.01 180.05 3iqf h LEU 164 N 0.71 0.98 -0.55 1.33 5.85 -0.89 -2.43 115.31 120.30 3iqf h LEU 164 Ca 0.17 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3iqf h LEU 164 Cb 0.26 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3iqf h LEU 164 CO -0.01 0.98 0.25 0.40 -0.34 0.00 0.00 178.44 179.72 3iqf h ILE 165 N 0.96 1.21 -0.81 4.05 2.04 -0.41 -0.27 117.51 124.27 3iqf h ILE 165 Ca 0.19 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.47 3iqf h ILE 165 Cb 0.42 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3iqf h ILE 165 CO 0.01 0.24 0.51 -0.33 0.00 0.00 0.00 178.15 178.59 3iqf h GLU 166 N 0.75 0.96 -0.47 2.37 4.39 -1.19 -1.28 114.58 120.11 3iqf h GLU 166 Ca 0.19 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 3iqf h GLU 166 Cb 0.15 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3iqf h GLU 166 CO -0.02 0.63 -0.10 0.87 -1.16 0.00 0.00 179.01 179.23 3iqf h LYS 167 N 0.98 0.85 -0.90 2.33 1.79 -1.10 -2.48 116.57 118.05 3iqf h LYS 167 Ca 0.33 -0.28 0.09 0.00 -2.18 0.00 0.00 60.65 58.61 3iqf h LYS 167 Cb 0.05 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.57 3iqf h LYS 167 CO -0.13 0.91 0.58 0.00 -1.08 0.00 0.00 179.45 179.73 3iqf h ALA 168 N 1.12 1.61 0.00 3.86 0.00 -0.30 -1.69 119.26 123.86 3iqf h ALA 168 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 168 Cb 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3iqf h ALA 168 CO 0.04 0.22 0.00 0.87 0.00 0.00 0.00 179.25 180.37 3iqf h LYS 169 N 0.92 0.00 -3.17 0.00 1.57 -0.78 -3.33 116.57 111.77 3iqf h LYS 169 Ca 0.41 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.45 3iqf h LYS 169 Cb 0.37 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.36 3iqf h LYS 169 CO -0.17 0.00 0.22 0.39 -0.57 0.00 0.00 179.45 179.31 3iqf n GLU 170 N -2.53 3.32 0.00 3.15 -0.58 -0.63 -4.90 120.64 118.46 3iqf n GLU 170 Ca 0.02 -4.51 0.00 0.00 -0.42 0.00 0.00 57.16 52.25 3iqf n GLU 170 Cb 0.29 -2.46 0.00 0.00 -0.57 0.00 0.00 31.44 28.70 3iqf n GLU 170 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3iqf n ASP 171 N 2.02 0.00 -4.55 1.62 4.64 -1.25 -4.68 116.55 114.35 3iqf n ASP 171 Ca 0.24 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 53.23 3iqf n ASP 171 Cb 0.37 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.42 3iqf n ASP 171 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3iqf s GLU 172 N 0.00 3.34 -0.23 -0.67 8.01 -1.26 -4.73 118.70 123.16 3iqf s GLU 172 Ca 0.00 -0.09 -0.28 0.00 0.01 0.00 0.00 54.97 54.61 3iqf s GLU 172 Cb 0.00 -4.10 0.01 0.00 -4.31 0.00 0.00 34.13 25.73 3iqf s GLU 172 CO 0.00 -1.82 1.00 0.42 0.01 0.00 0.00 175.26 174.87 3iqf s ILE 173 N 4.99 4.71 0.40 -1.63 1.01 -1.26 -4.84 121.20 124.58 3iqf s ILE 173 Ca 0.36 1.94 0.08 0.00 0.00 0.00 0.00 60.65 63.04 3iqf s ILE 173 Cb -0.09 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 3iqf s ILE 173 CO 0.20 -0.15 0.45 -0.94 0.00 0.00 0.00 174.94 174.49 3iqf s SER 174 N 1.22 5.41 0.45 3.58 1.04 -1.26 -4.95 113.70 119.19 3iqf s SER 174 Ca 0.42 -0.53 0.16 0.00 0.48 0.00 0.00 55.95 56.49 3iqf s SER 174 Cb -0.15 -0.72 1.11 0.00 0.10 0.00 0.00 66.02 66.36 3iqf s SER 174 CO 0.07 -0.64 1.97 -0.08 0.98 0.00 0.00 173.24 175.53 3iqf h GLU 175 N 0.89 0.32 0.00 4.02 4.81 -1.97 -1.40 114.58 121.25 3iqf h GLU 175 Ca -0.42 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3iqf h GLU 175 Cb 1.27 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3iqf h GLU 175 CO 0.52 0.21 0.00 -0.91 -0.73 0.00 0.00 179.01 178.11 3iqf h ASN 176 N 0.33 0.00 1.10 1.04 2.35 -1.97 -2.97 115.58 115.46 3iqf h ASN 176 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3iqf h ASN 176 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3iqf h ASN 176 CO -0.08 0.00 -0.41 0.44 -1.65 0.00 0.00 177.43 175.73 3iqf h ASP 177 N 0.00 0.00 -3.52 5.81 3.45 -1.64 -3.47 116.42 117.05 3iqf h ASP 177 Ca 0.00 -0.13 -0.52 0.00 0.43 0.00 0.00 57.03 56.81 3iqf h ASP 177 Cb 0.53 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.32 3iqf h ASP 177 CO 0.00 0.07 0.56 -0.76 -1.57 0.00 0.00 179.24 177.54 3iqf s LEU 178 N -4.39 4.45 0.48 1.55 1.43 -1.12 -4.82 118.68 116.25 3iqf s LEU 178 Ca 0.08 2.27 -0.24 0.00 -1.03 0.00 0.00 54.13 55.21 3iqf s LEU 178 Cb 0.13 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 3iqf s LEU 178 CO 0.68 -0.37 1.31 -2.16 0.23 0.00 0.00 176.35 176.04 3iqf s PRO 179 N -0.39 3.57 -0.44 1.29 0.04 -1.26 -4.86 135.00 132.95 3iqf s PRO 179 Ca 0.52 2.13 0.05 0.00 0.04 0.00 0.00 61.00 63.74 3iqf s PRO 179 Cb -0.33 -2.48 0.19 0.00 0.04 0.00 0.00 34.50 31.92 3iqf s PRO 179 CO 0.38 -0.81 0.39 1.63 0.04 0.00 0.00 177.00 178.63 3iqf n LYS 180 N -0.49 0.48 -4.97 4.56 5.02 -1.22 -0.53 118.16 121.01 3iqf n LYS 180 Ca 0.07 -3.33 -0.32 0.00 -2.02 0.00 0.00 58.31 52.70 3iqf n LYS 180 Cb 0.45 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.66 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 -0.35 2.58 -0.17 -0.35 1.43 -0.18 -4.98 118.68 116.66 3iqf s LEU 181 Ca 0.33 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3iqf s LEU 181 Cb 0.06 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.80 3iqf s LEU 181 CO -0.18 0.34 -0.12 -0.69 0.23 0.00 0.00 176.35 175.93 3iqf s VAL 182 N -0.71 1.56 -0.17 -1.59 1.01 -1.26 -0.31 120.40 118.92 3iqf s VAL 182 Ca 0.11 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3iqf s VAL 182 Cb -0.10 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3iqf s VAL 182 CO 0.00 0.33 -0.04 -0.63 0.00 0.00 0.00 175.10 174.76 3iqf s ILE 183 N 1.47 3.83 0.03 2.22 1.01 0.12 -4.93 121.20 124.95 3iqf s ILE 183 Ca 0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 3iqf s ILE 183 Cb -0.14 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.64 3iqf s ILE 183 CO -0.10 0.48 0.04 -0.90 0.00 0.00 0.00 174.94 174.46 3iqf n ASP 184 N 3.74 -0.12 -0.36 3.58 5.68 -1.26 -1.11 116.55 126.70 3iqf n ASP 184 Ca -0.17 -1.14 0.02 0.00 -0.50 0.00 0.00 54.79 53.00 3iqf n ASP 184 Cb 0.52 0.21 0.09 0.00 -1.14 0.00 0.00 41.12 40.80 3iqf n ASP 184 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3iqf n ARG 185 N -0.04 -0.16 0.07 0.11 0.63 -1.26 -1.06 116.66 114.94 3iqf n ARG 185 Ca -0.00 1.50 0.11 0.00 -0.92 0.00 0.00 57.85 58.54 3iqf n ARG 185 Cb 0.05 -2.23 0.44 0.00 0.45 0.00 0.00 32.46 31.16 3iqf n ARG 185 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3iqf n ASN 186 N -5.50 0.40 -0.15 6.15 3.02 -1.26 -2.55 115.26 115.37 3iqf n ASN 186 Ca 0.13 0.58 0.15 0.00 -0.03 0.00 0.00 54.58 55.41 3iqf n ASN 186 Cb 0.44 -0.67 0.51 0.00 -0.61 0.00 0.00 39.78 39.44 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 0.81 0.00 3.41 2.02 -1.46 -1.49 112.91 116.20 3iqf h THR 187 Ca 0.00 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3iqf h THR 187 Cb 0.40 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3iqf h THR 187 CO 0.00 0.07 -0.16 -0.07 0.37 0.00 0.00 175.52 175.73 3iqf h LEU 188 N 0.41 0.00 -2.06 2.58 3.38 -1.66 -2.74 115.31 115.22 3iqf h LEU 188 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 3iqf h LEU 188 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3iqf h LEU 188 CO -0.11 0.16 -0.03 -0.07 0.09 0.00 0.00 178.44 178.48 3iqf h LEU 189 N 0.00 0.00 -2.22 1.67 3.38 -1.48 -2.52 115.31 114.14 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 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3iqf h LEU 189 CO 0.02 0.03 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 3iqf n GLU 190 N -3.19 2.47 -4.22 1.13 1.02 -1.03 -4.97 120.64 111.84 3iqf n GLU 190 Ca -0.01 -2.20 -0.26 0.00 -0.02 0.00 0.00 57.16 54.67 3iqf n GLU 190 Cb 0.22 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 3iqf n GLU 190 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3iqf s ARG 191 N -1.60 2.20 -0.30 3.49 0.52 -0.95 -5.04 118.95 117.27 3iqf s ARG 191 Ca 0.37 -1.96 0.08 0.00 -0.52 0.00 0.00 55.73 53.71 3iqf s ARG 191 Cb 0.22 -1.91 0.46 0.00 0.52 0.00 0.00 34.95 34.24 3iqf s ARG 191 CO 0.31 -0.20 1.18 0.39 0.02 0.00 0.00 175.30 177.00 3iqf n GLU 192 N -1.29 3.42 -0.04 3.54 1.02 -1.26 -4.85 120.64 121.18 3iqf n GLU 192 Ca -0.04 -4.13 -0.09 0.00 -0.02 0.00 0.00 57.16 52.89 3iqf n GLU 192 Cb 0.65 -2.21 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 3iqf n GLU 192 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3iqf h GLU 193 N 2.25 0.17 -5.17 3.49 4.57 -1.96 -3.42 114.58 114.50 3iqf h GLU 193 Ca 0.32 -0.01 -0.64 0.00 -1.18 0.00 0.00 59.36 57.85 3iqf h GLU 193 Cb 1.47 -0.04 -0.22 0.00 -0.16 0.00 0.00 28.75 29.81 3iqf h GLU 193 CO 0.71 0.11 -0.64 -0.06 -1.18 0.00 0.00 179.01 177.95 3iqf s PHE 194 N -6.18 3.07 0.24 0.92 0.08 -1.26 -4.59 117.98 110.26 3iqf s PHE 194 Ca -0.13 -0.34 -0.03 0.00 0.12 0.00 0.00 56.93 56.54 3iqf s PHE 194 Cb 0.09 -2.07 0.28 0.00 -0.57 0.00 0.00 43.02 40.75 3iqf s PHE 194 CO 0.69 -0.15 1.73 1.49 -0.10 0.00 0.00 175.22 178.88 3iqf h GLU 195 N 7.27 0.83 -5.45 0.44 4.22 -1.83 -3.43 114.58 116.63 3iqf h GLU 195 Ca -0.35 -0.24 -0.59 0.00 0.08 0.00 0.00 59.36 58.25 3iqf h GLU 195 Cb 1.18 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.24 3iqf h GLU 195 CO 0.62 0.85 -0.33 1.21 -2.18 0.00 0.00 179.01 179.19 3iqf s ASN 196 N -6.64 6.41 0.40 1.04 2.47 -1.26 -4.98 114.94 112.37 3iqf s ASN 196 Ca -0.10 0.47 0.19 0.00 0.42 0.00 0.00 52.86 53.85 3iqf s ASN 196 Cb 0.14 -2.18 0.81 0.00 -1.45 0.00 0.00 41.25 38.58 3iqf s ASN 196 CO 0.82 0.08 1.81 1.55 -3.72 0.00 0.00 177.10 177.63 3iqf h PRO 197 N 6.82 0.00 -0.00 0.43 0.13 -2.00 -2.68 132.00 134.69 3iqf h PRO 197 Ca -0.40 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.34 -0.76 1.88 -0.23 0.00 0.00 178.00 179.97 3iqf h TYR 198 N 0.00 0.07 -0.71 1.56 0.05 -1.98 -1.25 116.97 114.72 3iqf h TYR 198 Ca -0.00 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 3iqf h TYR 198 Cb 0.76 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 3iqf h TYR 198 CO 0.00 0.79 0.44 0.00 -1.05 0.00 0.00 178.16 178.33 3iqf h ALA 199 N 1.20 0.90 -0.22 3.88 0.00 -1.79 -0.46 119.26 122.77 3iqf h ALA 199 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3iqf h ALA 199 Cb 1.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3iqf h ALA 199 CO 0.10 0.36 0.10 1.98 0.00 0.00 0.00 179.25 181.80 3iqf h MET 200 N 0.96 0.33 0.00 0.00 1.85 -1.15 -1.01 114.93 115.91 3iqf h MET 200 Ca 0.26 -0.05 -0.09 0.00 -0.61 0.00 0.00 59.70 59.20 3iqf h MET 200 Cb -0.05 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 31.91 3iqf h MET 200 CO -0.05 0.35 -0.44 -0.39 -0.40 0.00 0.00 176.91 175.99 3iqf h VAL 201 N 0.23 0.97 -0.54 -5.77 -1.51 -1.09 -0.25 116.25 108.28 3iqf h VAL 201 Ca 0.08 -1.73 -0.11 0.00 -1.23 0.00 0.00 66.70 63.70 3iqf h VAL 201 Cb 0.14 2.04 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 3iqf h VAL 201 CO -0.01 0.43 -0.10 0.11 -1.23 0.00 0.00 177.57 176.77 3iqf h LYS 202 N 0.00 1.02 -0.58 5.19 1.57 -1.02 -0.80 116.57 121.94 3iqf h LYS 202 Ca -0.00 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.34 3iqf h LYS 202 Cb 1.01 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 3iqf h LYS 202 CO 0.06 1.06 0.11 0.00 -0.57 0.00 0.00 179.45 180.11 3iqf h ALA 203 N 0.92 1.10 -0.46 3.86 0.00 -0.84 -1.05 119.26 122.79 3iqf h ALA 203 Ca 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3iqf h ALA 203 Cb 0.67 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3iqf h ALA 203 CO 0.05 0.59 0.22 0.52 0.00 0.00 0.00 179.25 180.63 3iqf h MET 204 N 0.88 0.66 -0.62 0.00 2.86 -0.94 -1.26 114.93 116.52 3iqf h MET 204 Ca 0.18 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3iqf h MET 204 Cb 0.36 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3iqf h MET 204 CO 0.01 0.57 0.40 0.00 1.06 0.00 0.00 176.91 178.94 3iqf h ALA 205 N 1.06 0.80 -0.57 6.32 0.00 -0.90 0.19 119.26 126.17 3iqf h ALA 205 Ca 0.16 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 205 Cb 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3iqf h ALA 205 CO -0.02 0.18 0.33 0.00 0.00 0.00 0.00 179.25 179.74 3iqf h ALA 206 N 1.25 0.75 -0.23 0.00 0.00 -0.96 -0.50 119.26 119.56 3iqf h ALA 206 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 206 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3iqf h ALA 206 CO -0.07 0.03 -0.34 -0.07 0.00 0.00 0.00 179.25 178.79 3iqf h LEU 207 N 0.64 0.51 -0.16 0.00 3.38 -0.79 -0.20 115.31 118.69 3iqf h LEU 207 Ca 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3iqf h LEU 207 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3iqf h LEU 207 CO -0.13 0.82 0.05 -0.08 0.09 0.00 0.00 178.44 179.19 3iqf h GLU 208 N 0.42 0.25 -0.51 1.13 4.57 -0.70 -0.87 114.58 118.88 3iqf h GLU 208 Ca 0.05 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3iqf h GLU 208 Cb 0.80 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 3iqf h GLU 208 CO 0.06 0.36 0.22 0.82 -1.18 0.00 0.00 179.01 179.30 3iqf h ILE 209 N 0.09 1.20 -0.54 2.32 2.04 -0.93 -0.89 117.51 120.79 3iqf h ILE 209 Ca 0.05 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.35 3iqf h ILE 209 Cb 0.21 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3iqf h ILE 209 CO -0.00 0.23 0.30 0.00 0.00 0.00 0.00 178.15 178.68 3iqf h ALA 210 N 1.07 0.70 -0.75 1.87 0.00 -0.95 -0.59 119.26 120.61 3iqf h ALA 210 Ca 0.17 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3iqf h ALA 210 Cb 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3iqf h ALA 210 CO -0.02 -0.02 0.26 1.49 0.00 0.00 0.00 179.25 180.97 3iqf h GLU 211 N 0.59 1.15 0.00 0.00 4.81 -0.92 -2.60 114.58 117.61 3iqf h GLU 211 Ca 0.23 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3iqf h GLU 211 Cb 0.10 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3iqf h GLU 211 CO -0.14 0.96 -0.19 -0.91 -0.73 0.00 0.00 179.01 178.01 3iqf h ASN 212 N 1.11 0.00 -1.00 1.04 2.35 -0.39 -2.75 115.58 115.94 3iqf h ASN 212 Ca 0.25 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.14 3iqf h ASN 212 Cb 0.27 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.55 3iqf h ASN 212 CO -0.01 0.19 0.62 0.58 -1.65 0.00 0.00 177.43 177.15 3iqf h VAL 213 N 0.00 0.84 -0.91 2.81 2.07 -0.72 -2.70 116.25 117.65 3iqf h VAL 213 Ca -0.00 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.22 3iqf h VAL 213 Cb 0.43 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 3iqf h VAL 213 CO 0.02 0.17 0.60 0.00 0.02 0.00 0.00 177.57 178.38 3iqf h ALA 214 N 1.57 1.35 -0.33 1.67 0.00 -1.58 -0.42 119.26 121.52 3iqf h ALA 214 Ca 0.52 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.28 3iqf h ALA 214 Cb 0.63 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3iqf h ALA 214 CO -0.31 0.60 -0.15 -0.44 0.00 0.00 0.00 179.25 178.95 3iqf h ASP 215 N 1.23 0.59 -0.06 0.00 3.45 -1.64 -0.11 116.42 119.88 3iqf h ASP 215 Ca 0.33 -0.17 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 3iqf h ASP 215 Cb -0.14 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 38.47 3iqf h ASP 215 CO -0.07 0.76 -0.09 0.58 -1.57 0.00 0.00 179.24 178.84 3iqf h VAL 216 N 0.54 1.40 -0.45 -1.35 2.07 -1.24 -1.26 116.25 115.96 3iqf h VAL 216 Ca 0.09 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.32 3iqf h VAL 216 Cb 0.57 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 3iqf h VAL 216 CO 0.04 0.37 0.14 0.28 0.02 0.00 0.00 177.57 178.42 3iqf h SER 217 N -0.31 0.12 -0.35 0.57 0.02 -1.04 0.53 113.55 113.08 3iqf h SER 217 Ca 0.01 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3iqf h SER 217 Cb 0.65 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 3iqf h SER 217 CO 0.02 0.10 0.19 0.58 -1.14 0.00 0.00 176.83 176.58 3iqf h VAL 218 N 0.30 1.01 -0.38 2.27 2.07 -1.00 0.26 116.25 120.78 3iqf h VAL 218 Ca 0.22 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.63 3iqf h VAL 218 Cb 0.23 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3iqf h VAL 218 CO -0.24 0.07 0.17 -0.08 0.02 0.00 0.00 177.57 177.52 3iqf h GLU 219 N 0.39 0.35 -0.06 1.57 4.81 -0.86 0.15 114.58 120.94 3iqf h GLU 219 Ca 0.14 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 3iqf h GLU 219 Cb 0.03 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3iqf h GLU 219 CO -0.08 0.23 -0.45 0.78 -0.73 0.00 0.00 179.01 178.76 3iqf h GLY 220 N 0.36 0.14 0.71 1.92 0.00 -0.34 0.16 103.07 106.01 3iqf h GLY 220 Ca 0.16 -0.14 -0.34 0.00 0.00 0.00 0.00 47.33 47.02 3iqf h GLY 220 CO -0.13 0.13 -1.92 0.00 0.00 0.00 0.00 176.54 174.62 3iqf n PHE 222 N -3.27 0.00 -0.01 0.00 3.72 0.52 -4.88 117.46 113.54 3iqf n PHE 222 Ca -0.27 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.09 3iqf n PHE 222 Cb 1.05 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 39.54 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 -1.32 1.00 -2.25 -4.37 0.31 -0.81 -4.99 118.33 105.90 3iqf n VAL 223 Ca 0.00 0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 64.08 3iqf n VAL 223 Cb 0.07 -1.73 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 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 -2.22 4.33 -0.00 5.55 2.56 -0.02 -4.91 118.70 123.99 3iqf s GLU 224 Ca -0.09 1.97 0.10 0.00 0.00 0.00 0.00 54.97 56.95 3iqf s GLU 224 Cb 0.02 -3.37 -0.12 0.00 2.00 0.00 0.00 34.13 32.66 3iqf s GLU 224 CO 0.13 -0.44 0.36 1.04 -0.56 0.00 0.00 175.26 175.79 3iqf n GLN 225 N 4.37 2.73 -3.02 4.30 1.13 -1.26 -4.75 117.38 120.88 3iqf n GLN 225 Ca 0.11 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 3iqf n GLN 225 Cb 0.44 -1.05 -0.06 0.00 0.11 0.00 0.00 30.24 29.68 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 -2.30 6.54 0.48 1.08 3.68 -1.26 -4.96 116.67 119.93 3iqf s ASP 226 Ca 0.02 0.40 0.18 0.00 2.13 0.00 0.00 52.55 55.28 3iqf s ASP 226 Cb 0.07 -2.37 1.18 0.00 -1.45 0.00 0.00 42.92 40.35 3iqf s ASP 226 CO 0.41 -0.61 2.00 0.07 0.13 0.00 0.00 175.17 177.17 3iqf h LYS 227 N 8.32 0.22 0.00 4.34 2.10 -1.97 0.14 116.57 129.72 3iqf h LYS 227 Ca -0.25 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3iqf h LYS 227 Cb 1.10 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.38 3iqf h LYS 227 CO 0.86 0.15 -0.01 0.93 -2.00 0.00 0.00 179.45 179.38 3iqf h GLU 228 N 0.23 0.00 0.00 0.07 5.08 -2.01 -2.08 114.58 115.86 3iqf h GLU 228 Ca 0.24 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.21 3iqf h GLU 228 Cb 0.65 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 3iqf h GLU 228 CO -0.05 0.01 -2.39 0.54 -1.00 0.00 0.00 179.01 176.12 3iqf n ARG 229 N -3.31 0.57 0.15 2.33 1.74 0.24 -4.60 116.66 113.78 3iqf n ARG 229 Ca -0.03 0.18 0.01 0.00 -0.77 0.00 0.00 57.85 57.25 3iqf n ARG 229 Cb 0.11 -1.45 0.18 0.00 -1.02 0.00 0.00 32.46 30.28 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 -0.41 0.00 0.18 -1.55 -0.00 -0.74 -2.38 116.97 112.07 3iqf h TYR 230 Ca -0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.13 3iqf h TYR 230 Cb 1.71 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.45 3iqf h TYR 230 CO -0.02 0.57 -0.09 0.28 -0.00 0.00 0.00 178.16 178.90 3iqf h VAL 231 N 0.00 0.93 -0.81 -0.90 2.07 -1.63 -0.47 116.25 115.44 3iqf h VAL 231 Ca -0.01 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.02 3iqf h VAL 231 Cb 1.13 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 3iqf h VAL 231 CO 0.07 0.13 0.47 -0.65 0.02 0.00 0.00 177.57 177.62 3iqf h PRO 232 N -0.52 0.81 0.29 1.57 0.11 -1.79 -1.54 132.00 130.92 3iqf h PRO 232 Ca -0.02 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 3iqf h PRO 232 Cb 0.40 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 3iqf h PRO 232 CO 0.04 0.53 -0.25 0.82 -0.21 0.00 0.00 178.00 178.94 3iqf h ILE 233 N 0.83 0.48 -0.60 4.15 2.04 -1.25 -0.33 117.51 122.83 3iqf h ILE 233 Ca 0.37 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.22 3iqf h ILE 233 Cb 0.26 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3iqf h ILE 233 CO -0.21 0.00 0.33 -0.37 0.00 0.00 0.00 178.15 177.90 3iqf h VAL 234 N -0.55 1.18 -0.76 1.67 -1.51 -0.95 -2.11 116.25 113.22 3iqf h VAL 234 Ca -0.02 -0.45 -0.04 0.00 -1.23 0.00 0.00 66.70 64.96 3iqf h VAL 234 Cb 0.49 0.36 -0.03 0.00 -2.13 0.00 0.00 31.29 29.98 3iqf h VAL 234 CO -0.03 0.20 0.32 0.00 -1.23 0.00 0.00 177.57 176.83 3iqf h ALA 235 N 1.53 1.13 -0.02 5.19 0.00 -1.05 -2.61 119.26 123.42 3iqf h ALA 235 Ca 0.22 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3iqf h ALA 235 Cb 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3iqf h ALA 235 CO -0.04 0.63 -0.30 0.66 0.00 0.00 0.00 179.25 180.20 3iqf h SER 236 N 1.10 0.03 -0.92 0.00 4.64 -0.38 -1.73 113.55 116.30 3iqf h SER 236 Ca 0.26 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3iqf h SER 236 Cb 0.18 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 3iqf h SER 236 CO -0.02 0.34 0.56 0.00 -0.87 0.00 0.00 176.83 176.83 3iqf h ALA 237 N 1.66 1.17 -0.13 5.18 0.00 -1.15 -1.51 119.26 124.48 3iqf h ALA 237 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 3iqf h ALA 237 Cb 0.56 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iqf h ALA 237 CO 0.04 0.62 -0.63 0.45 0.00 0.00 0.00 179.25 179.73 3iqf h HIS 238 N 1.26 0.63 -0.79 0.00 3.86 -1.24 -1.86 115.15 117.00 3iqf h HIS 238 Ca 0.33 -0.25 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 3iqf h HIS 238 Cb -0.06 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 3iqf h HIS 238 CO 0.00 0.99 0.30 0.93 0.86 0.00 0.00 177.93 181.01 3iqf h GLU 239 N 0.35 1.19 -0.49 2.45 4.39 -1.02 -1.80 114.58 119.65 3iqf h GLU 239 Ca -0.01 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.49 3iqf h GLU 239 Cb 1.19 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 3iqf h GLU 239 CO 0.11 0.97 0.29 0.52 -1.16 0.00 0.00 179.01 179.74 3iqf h MET 240 N 1.15 0.55 -0.29 2.33 2.86 -1.07 -2.63 114.93 117.84 3iqf h MET 240 Ca 0.26 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.78 3iqf h MET 240 Cb 0.23 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3iqf h MET 240 CO -0.02 0.37 -0.22 1.98 1.06 0.00 0.00 176.91 180.08 3iqf h MET 241 N 0.57 0.53 -0.71 1.72 1.85 -1.13 -1.36 114.93 116.40 3iqf h MET 241 Ca 0.20 -0.19 0.03 0.00 -0.61 0.00 0.00 59.70 59.12 3iqf h MET 241 Cb 0.03 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 3iqf h MET 241 CO -0.09 0.72 0.45 -0.09 -0.40 0.00 0.00 176.91 177.49 3iqf h ARG 242 N 0.48 0.85 0.00 0.39 2.43 -1.24 -1.60 114.38 115.68 3iqf h ARG 242 Ca 0.07 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 3iqf h ARG 242 Cb 0.64 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3iqf h ARG 242 CO 0.05 0.56 -0.64 0.87 -1.51 0.00 0.00 179.97 179.30 3iqf h LYS 243 N 0.87 0.00 -0.86 0.20 1.79 -1.15 -2.21 116.57 115.22 3iqf h LYS 243 Ca 0.28 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3iqf h LYS 243 Cb 0.01 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 3iqf h LYS 243 CO -0.11 0.64 0.52 0.00 -1.08 0.00 0.00 179.45 179.42 3iqf h ALA 244 N 1.36 1.10 -0.47 3.86 0.00 -1.02 -1.69 119.26 122.41 3iqf h ALA 244 Ca -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3iqf h ALA 244 Cb 1.21 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3iqf h ALA 244 CO 0.08 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3iqf h ALA 245 N 1.28 1.13 -0.58 0.00 0.00 -1.12 -1.48 119.26 118.48 3iqf h ALA 245 Ca 0.31 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3iqf h ALA 245 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3iqf h ALA 245 CO -0.06 0.56 0.18 0.93 0.00 0.00 0.00 179.25 180.86 3iqf h GLU 246 N 0.72 0.91 -0.89 0.00 5.08 -0.95 -0.34 114.58 119.10 3iqf h GLU 246 Ca 0.14 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3iqf h GLU 246 Cb 0.44 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3iqf h GLU 246 CO 0.02 0.82 0.54 -0.07 -1.00 0.00 0.00 179.01 179.32 3iqf h LEU 247 N 0.83 1.07 -0.58 1.33 3.38 -1.00 0.41 115.31 120.75 3iqf h LEU 247 Ca 0.19 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3iqf h LEU 247 Cb 0.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3iqf h LEU 247 CO -0.01 0.82 0.26 0.00 0.09 0.00 0.00 178.44 179.61 3iqf h ALA 248 N 1.30 0.75 -0.40 1.53 0.00 -1.06 -1.07 119.26 120.31 3iqf h ALA 248 Ca 0.32 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iqf h ALA 248 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3iqf h ALA 248 CO -0.06 0.33 0.24 0.22 0.00 0.00 0.00 179.25 179.98 3iqf h ASP 249 N 0.79 0.48 -0.88 0.00 3.58 -0.67 -2.23 116.42 117.49 3iqf h ASP 249 Ca 0.20 -0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.62 3iqf h ASP 249 Cb 0.15 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 3iqf h ASP 249 CO -0.02 0.40 0.57 -0.08 -2.88 0.00 0.00 179.24 177.23 3iqf h GLU 250 N 0.53 1.09 -0.33 0.28 4.81 -0.60 -1.43 114.58 118.93 3iqf h GLU 250 Ca 0.14 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3iqf h GLU 250 Cb 0.00 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3iqf h GLU 250 CO -0.03 0.72 0.19 0.00 -0.73 0.00 0.00 179.01 179.16 3iqf h ALA 251 N 1.36 0.42 -0.78 2.92 0.00 -0.96 -1.78 119.26 120.43 3iqf h ALA 251 Ca 0.35 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3iqf h ALA 251 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3iqf h ALA 251 CO -0.11 -0.07 0.30 -0.09 0.00 0.00 0.00 179.25 179.28 3iqf h ARG 252 N 0.42 1.17 -0.31 0.00 2.43 -0.94 -2.08 114.38 115.06 3iqf h ARG 252 Ca 0.12 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3iqf h ARG 252 Cb 0.03 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3iqf h ARG 252 CO -0.02 0.95 0.05 0.93 -1.51 0.00 0.00 179.97 180.37 3iqf h GLU 253 N 1.14 0.45 -0.61 0.20 4.39 -1.03 -1.63 114.58 117.49 3iqf h GLU 253 Ca 0.26 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 3iqf h GLU 253 Cb 0.23 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 3iqf h GLU 253 CO -0.02 0.44 0.28 -0.07 -1.16 0.00 0.00 179.01 178.49 3iqf h LEU 254 N 0.45 0.81 -0.87 1.33 3.38 -0.66 -1.28 115.31 118.46 3iqf h LEU 254 Ca 0.10 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3iqf h LEU 254 Cb 0.22 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3iqf h LEU 254 CO 0.00 0.73 0.57 -0.33 0.09 0.00 0.00 178.44 179.49 3iqf h GLU 255 N 0.84 1.16 -0.97 1.13 4.39 -0.99 -2.37 114.58 117.77 3iqf h GLU 255 Ca 0.21 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.86 3iqf h GLU 255 Cb 0.14 -0.26 -0.06 0.00 -0.10 0.00 0.00 28.75 28.48 3iqf h GLU 255 CO -0.02 0.78 0.64 0.87 -1.16 0.00 0.00 179.01 180.11 3iqf h LYS 256 N 1.19 1.20 0.00 2.33 1.57 -0.94 -1.12 116.57 120.80 3iqf h LYS 256 Ca 0.32 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3iqf h LYS 256 Cb -0.12 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 31.92 3iqf h LYS 256 CO -0.07 0.79 0.00 0.66 -0.57 0.00 0.00 179.45 180.27 3iqf h SER 257 N 1.23 0.00 -0.39 0.86 4.64 -0.70 -0.70 113.55 118.50 3iqf h SER 257 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3iqf h SER 257 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3iqf h SER 257 CO -0.12 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.43 3iqf n ASN 258 N -3.07 3.14 -3.87 4.97 3.02 -1.02 -4.99 115.26 113.44 3iqf n ASN 258 Ca -0.01 -2.08 -0.28 0.00 -0.03 0.00 0.00 54.58 52.19 3iqf n ASN 258 Cb 0.21 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.58 -1.89 -0.37 6.41 2.03 -0.27 -4.90 116.55 118.14 3iqf n ASP 259 Ca 0.14 -1.01 0.02 0.00 0.52 0.00 0.00 54.79 54.46 3iqf n ASP 259 Cb 0.49 -3.13 0.03 0.00 -0.72 0.00 0.00 41.12 37.79 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 -4.36 2.02 -2.16 -1.67 0.00 -0.47 -4.01 120.51 109.85 3iqf n ALA 260 Ca -0.24 -1.35 -0.43 0.00 0.00 0.00 0.00 53.44 51.42 3iqf n ALA 260 Cb 0.65 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.67 3.73 0.13 0.00 1.01 -1.18 -4.60 120.40 118.82 3iqf s VAL 261 Ca 0.07 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.54 3iqf s VAL 261 Cb 0.06 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 3iqf s VAL 261 CO 0.01 -0.40 1.65 -0.22 0.00 0.00 0.00 175.10 176.13 3iqf s LEU 262 N 5.47 4.37 -0.06 3.92 2.96 -1.26 -4.30 118.68 129.78 3iqf s LEU 262 Ca 0.70 2.62 0.03 0.00 -0.22 0.00 0.00 54.13 57.26 3iqf s LEU 262 Cb -0.22 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.90 3iqf s LEU 262 CO 0.30 -0.89 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.17 3iqf s ARG 263 N 1.83 1.81 -0.54 1.98 0.52 -0.46 -5.01 118.95 119.09 3iqf s ARG 263 Ca 0.73 -0.49 0.07 0.00 -0.52 0.00 0.00 55.73 55.52 3iqf s ARG 263 Cb -0.43 -1.49 0.24 0.00 0.52 0.00 0.00 34.95 33.78 3iqf s ARG 263 CO 0.32 0.09 0.62 0.25 0.02 0.00 0.00 175.30 176.60 3iqf n THR 264 N 3.63 0.93 -2.00 0.02 -2.24 -1.26 -1.14 114.28 112.22 3iqf n THR 264 Ca -0.21 -4.63 -0.32 0.00 -2.27 0.00 0.00 64.05 56.62 3iqf n THR 264 Cb 0.52 -2.03 0.01 0.00 -2.10 0.00 0.00 70.33 66.73 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 -1.76 3.46 0.16 -0.78 0.04 -1.24 -4.63 135.00 130.26 3iqf s PRO 265 Ca 0.37 0.99 -0.25 0.00 0.04 0.00 0.00 61.00 62.14 3iqf s PRO 265 Cb 0.14 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 3iqf s PRO 265 CO -0.07 -0.68 0.78 -1.01 0.04 0.00 0.00 177.00 176.06 3iqf s HIS 266 N -2.78 3.91 0.69 0.56 3.76 -1.26 -0.17 115.29 120.00 3iqf s HIS 266 Ca 0.59 1.63 -0.11 0.00 -0.15 0.00 0.00 55.06 57.02 3iqf s HIS 266 Cb -0.13 -2.77 0.00 0.00 1.11 0.00 0.00 32.58 30.79 3iqf s HIS 266 CO 0.43 0.51 1.07 0.00 -0.85 0.00 0.00 174.74 175.90 3iqf s ALA 267 N -1.12 2.87 0.49 -1.40 0.00 0.09 -4.92 121.76 117.77 3iqf s ALA 267 Ca 0.36 -0.20 0.22 0.00 0.00 0.00 0.00 51.96 52.33 3iqf s ALA 267 Cb -0.23 -3.07 1.26 0.00 0.00 0.00 0.00 23.12 21.08 3iqf s ALA 267 CO 0.26 -1.07 1.95 -1.35 0.00 0.00 0.00 175.76 175.56 3iqf h PRO 268 N -0.60 0.17 -0.05 0.00 0.11 -1.90 0.19 132.00 129.93 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 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3iqf h PRO 268 CO 0.62 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3iqf n ASP 269 N -4.41 0.69 0.00 -2.05 5.75 -1.26 0.09 116.55 115.35 3iqf n ASP 269 Ca 0.12 -1.44 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 3iqf n ASP 269 Cb 0.60 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 0.98 1.95 3.67 6.12 0.00 0.67 -4.73 105.19 113.85 3iqf n GLY 270 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 2.02 -3.11 1.61 3.00 -1.26 -4.59 118.16 113.83 3iqf n LYS 271 Ca 0.00 0.72 -0.41 0.00 -0.00 0.00 0.00 58.31 58.62 3iqf n LYS 271 Cb 0.00 -2.37 -0.06 0.00 0.00 0.00 0.00 35.03 32.60 3iqf n LYS 271 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3iqf s VAL 272 N -0.14 4.96 0.68 3.15 1.01 -1.26 -0.73 120.40 128.06 3iqf s VAL 272 Ca 0.67 0.98 0.01 0.00 0.00 0.00 0.00 61.98 63.64 3iqf s VAL 272 Cb -0.65 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 31.87 3iqf s VAL 272 CO 0.51 -0.06 0.93 -0.76 0.00 0.00 0.00 175.10 175.72 3iqf s LEU 273 N 2.56 3.04 -0.10 3.92 1.43 0.76 -4.98 118.68 125.32 3iqf s LEU 273 Ca 0.26 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 3iqf s LEU 273 Cb -0.15 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.00 3iqf s LEU 273 CO 0.10 -1.68 0.36 -0.55 0.23 0.00 0.00 176.35 174.81 3iqf s SER 274 N -4.67 -0.34 0.14 2.29 0.15 -1.26 -3.67 113.70 106.34 3iqf s SER 274 Ca 0.64 0.55 -0.20 0.00 0.70 0.00 0.00 55.95 57.65 3iqf s SER 274 Cb -0.06 0.62 0.06 0.00 -1.71 0.00 0.00 66.02 64.93 3iqf s SER 274 CO 0.43 -0.24 0.52 -1.59 1.20 0.00 0.00 173.24 173.56 3iqf s LYS 275 N -0.29 1.19 0.00 5.44 -2.85 -0.29 -1.42 119.74 121.52 3iqf s LYS 275 Ca -0.04 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 3iqf s LYS 275 Cb -0.03 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 3iqf s LYS 275 CO 0.02 -0.50 0.00 0.54 0.10 0.00 0.00 175.35 175.51 3iqf n ARG 276 N -0.30 0.00 -2.50 1.78 5.12 -1.26 -1.35 116.66 118.15 3iqf n ARG 276 Ca -0.17 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.35 3iqf n ARG 276 Cb 0.64 -0.66 -0.04 0.00 -1.16 0.00 0.00 32.46 31.25 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 -1.99 4.63 0.21 5.56 3.01 -1.26 -3.09 119.74 126.82 3iqf s LYS 277 Ca 0.00 1.76 -0.09 0.00 -1.01 0.00 0.00 55.97 56.63 3iqf s LYS 277 Cb 0.00 -3.23 0.31 0.00 -1.01 0.00 0.00 37.83 33.91 3iqf s LYS 277 CO 0.00 0.17 1.73 0.35 0.51 0.00 0.00 175.35 178.11 3iqf h PHE 278 N 4.34 0.36 -0.10 3.18 3.04 -1.91 -1.73 116.94 124.12 3iqf h PHE 278 Ca -0.46 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.53 3iqf h PHE 278 Cb 1.21 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.66 3iqf h PHE 278 CO 0.60 0.05 0.00 -1.33 -2.02 0.00 0.00 178.31 175.62 3iqf n MET 279 N -5.04 1.83 -2.50 1.11 2.81 -1.26 -4.89 117.12 109.18 3iqf n MET 279 Ca 0.10 -1.22 -0.42 0.00 -1.81 0.00 0.00 57.70 54.35 3iqf n MET 279 Cb 0.31 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 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 -1.89 4.47 0.24 0.03 2.12 -0.65 -5.02 118.70 118.00 3iqf s GLU 280 Ca 0.35 1.68 -0.30 0.00 0.36 0.00 0.00 54.97 57.05 3iqf s GLU 280 Cb 0.20 -3.38 -0.10 0.00 0.26 0.00 0.00 34.13 31.11 3iqf s GLU 280 CO 0.31 -0.19 1.45 -0.51 -0.54 0.00 0.00 175.26 175.77 3iqf s ASP 281 N 1.02 6.64 0.27 -1.70 1.01 -1.26 -4.86 116.67 117.79 3iqf s ASP 281 Ca 0.57 2.66 -0.30 0.00 0.71 0.00 0.00 52.55 56.20 3iqf s ASP 281 Cb -0.27 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 40.94 3iqf s ASP 281 CO 0.29 -0.71 1.38 -2.16 0.21 0.00 0.00 175.17 174.17 3iqf s PRO 282 N -0.26 4.31 0.00 8.23 0.04 -1.26 -4.84 135.00 141.22 3iqf s PRO 282 Ca 0.60 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.88 3iqf s PRO 282 Cb -0.42 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.01 3iqf s PRO 282 CO 0.42 -0.32 0.00 0.39 0.04 0.00 0.00 177.00 177.53