#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqe s VAL 3 N 0.00 2.16 0.35 12.58 1.01 -1.26 -4.71 120.40 130.53 3iqe s VAL 3 Ca 0.00 -1.67 -0.26 0.00 0.00 0.00 0.00 61.98 60.05 3iqe s VAL 3 Cb 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 3iqe s VAL 3 CO 0.00 -0.06 1.08 0.00 0.00 0.00 0.00 175.10 176.12 3iqe s ALA 4 N 1.10 3.22 0.03 5.51 0.00 0.23 -4.87 121.76 126.97 3iqe s ALA 4 Ca -0.08 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.76 3iqe s ALA 4 Cb -0.20 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3iqe s ALA 4 CO -0.05 -0.23 -0.19 0.15 0.00 0.00 0.00 175.76 175.43 3iqe s LYS 5 N -2.06 1.34 0.07 0.00 1.02 -1.26 -1.10 119.74 117.74 3iqe s LYS 5 Ca 0.53 -0.84 -0.10 0.00 0.02 0.00 0.00 55.97 55.57 3iqe s LYS 5 Cb -0.27 -1.40 0.01 0.00 -0.52 0.00 0.00 37.83 35.65 3iqe s LYS 5 CO 0.34 0.36 0.22 0.00 -0.92 0.00 0.00 175.35 175.36 3iqe s ALA 6 N -0.72 -0.39 -0.07 5.17 0.00 -0.82 -0.31 121.76 124.63 3iqe s ALA 6 Ca 0.06 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.70 3iqe s ALA 6 Cb -0.08 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 3iqe s ALA 6 CO 0.01 -0.45 -0.19 0.42 0.00 0.00 0.00 175.76 175.55 3iqe s ILE 7 N -3.18 2.58 -0.16 0.00 1.01 -0.95 -1.54 121.20 118.96 3iqe s ILE 7 Ca -0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 3iqe s ILE 7 Cb 0.02 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 3iqe s ILE 7 CO -0.07 0.57 -0.12 -0.36 0.00 0.00 0.00 174.94 174.96 3iqe s PHE 8 N -0.28 2.84 -0.15 3.97 0.40 0.50 -0.91 117.98 124.35 3iqe s PHE 8 Ca 0.01 -0.85 -0.03 0.00 -0.60 0.00 0.00 56.93 55.45 3iqe s PHE 8 Cb -0.13 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 3iqe s PHE 8 CO 0.03 -0.37 -0.04 0.42 0.70 0.00 0.00 175.22 175.96 3iqe s ILE 9 N 0.75 3.92 -0.17 0.64 1.01 0.05 -0.94 121.20 126.45 3iqe s ILE 9 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3iqe s ILE 9 Cb -0.15 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.65 3iqe s ILE 9 CO 0.01 0.50 -0.08 -0.54 0.00 0.00 0.00 174.94 174.83 3iqe s LYS 10 N 0.26 1.74 -0.04 2.79 1.02 -0.53 -0.32 119.74 124.65 3iqe s LYS 10 Ca -0.03 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.37 3iqe s LYS 10 Cb -0.14 -2.09 0.03 0.00 -0.52 0.00 0.00 37.83 35.11 3iqe s LYS 10 CO 0.03 -0.39 0.02 0.00 -0.92 0.00 0.00 175.35 174.10 3iqe n GLY 12 N 4.83 -1.25 3.05 0.00 0.00 -0.33 -4.05 105.19 107.44 3iqe n GLY 12 Ca -0.13 -1.61 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 3iqe n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iqe s ASN 13 N -3.59 1.68 0.14 1.61 2.47 -1.26 -4.68 114.94 111.31 3iqe s ASN 13 Ca 0.00 -0.27 0.04 0.00 0.42 0.00 0.00 52.86 53.05 3iqe s ASN 13 Cb 0.00 -0.54 -0.04 0.00 -1.45 0.00 0.00 41.25 39.22 3iqe s ASN 13 CO 0.00 0.09 -0.10 -0.76 -3.72 0.00 0.00 177.10 172.61 3iqe s LEU 14 N 0.26 2.52 0.19 3.21 1.02 -1.26 -4.55 118.68 120.06 3iqe s LEU 14 Ca -0.06 -0.99 -0.13 0.00 0.02 0.00 0.00 54.13 52.97 3iqe s LEU 14 Cb -0.11 -0.33 0.19 0.00 0.02 0.00 0.00 46.19 45.95 3iqe s LEU 14 CO 0.02 -0.33 1.73 1.23 0.02 0.00 0.00 176.35 179.02 3iqe h GLY 15 N 2.88 0.64 1.36 -3.19 0.00 -1.93 -2.12 103.07 100.70 3iqe h GLY 15 Ca -0.37 -0.05 -0.18 0.00 0.00 0.00 0.00 47.33 46.73 3iqe h GLY 15 CO 0.62 -0.04 -0.63 -0.84 0.00 0.00 0.00 176.54 175.65 3iqe h THR 16 N 0.28 1.31 0.00 4.70 2.02 -1.97 -2.86 112.91 116.40 3iqe h THR 16 Ca 0.25 -1.88 -0.08 0.00 0.77 0.00 0.00 66.41 65.47 3iqe h THR 16 Cb 0.31 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3iqe h THR 16 CO -0.30 0.59 -0.38 0.77 0.37 0.00 0.00 175.52 176.57 3iqe h SER 17 N 0.48 0.00 -0.31 4.18 4.64 -1.89 -1.34 113.55 119.31 3iqe h SER 17 Ca -0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3iqe h SER 17 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3iqe h SER 17 CO 0.12 0.38 -0.13 -0.03 -0.87 0.00 0.00 176.83 176.31 3iqe h MET 18 N 0.00 0.74 -0.01 4.77 4.05 -1.16 -3.30 114.93 120.02 3iqe h MET 18 Ca -0.00 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 3iqe h MET 18 Cb 1.14 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 3iqe h MET 18 CO 0.05 0.84 -0.31 -1.33 0.23 0.00 0.00 176.91 176.39 3iqe n MET 19 N -4.16 1.65 -0.16 0.39 2.81 -1.06 -4.74 117.12 111.85 3iqe n MET 19 Ca 0.01 -0.86 -0.05 0.00 -1.81 0.00 0.00 57.70 54.99 3iqe n MET 19 Cb 0.37 -1.28 0.04 0.00 -0.71 0.00 0.00 33.22 31.64 3iqe n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iqe h MET 20 N 1.89 0.54 -0.08 0.03 -0.00 -1.33 -0.85 114.93 115.12 3iqe h MET 20 Ca 0.00 -0.03 -0.19 0.00 -0.00 0.00 0.00 59.70 59.48 3iqe h MET 20 Cb 0.56 -0.12 -0.00 0.00 -0.00 0.00 0.00 31.60 32.03 3iqe h MET 20 CO 0.00 0.36 -0.73 0.38 -0.00 0.00 0.00 176.91 176.91 3iqe h ASP 21 N 0.55 0.50 0.55 -0.10 2.03 -1.85 -3.10 116.42 115.00 3iqe h ASP 21 Ca 0.21 -0.33 -0.06 0.00 -0.73 0.00 0.00 57.03 56.11 3iqe h ASP 21 Cb 0.06 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 3iqe h ASP 21 CO -0.11 1.07 -0.30 0.24 -1.03 0.00 0.00 179.24 179.11 3iqe h MET 22 N 0.29 0.00 0.00 4.15 2.86 -1.51 -2.47 114.93 118.25 3iqe h MET 22 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3iqe h MET 22 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 3iqe h MET 22 CO 0.13 0.30 0.00 1.28 1.06 0.00 0.00 176.91 179.67 3iqe n LEU 23 N -3.76 0.18 0.00 1.22 4.77 -0.72 -2.73 117.00 115.96 3iqe n LEU 23 Ca -0.01 0.55 0.11 0.00 -0.03 0.00 0.00 56.01 56.63 3iqe n LEU 23 Cb 0.39 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 3iqe n LEU 23 CO 0.35 -0.40 -0.15 0.18 -1.33 0.00 0.00 177.39 176.04 3iqe n LEU 24 N -1.71 0.69 -3.02 2.23 4.77 -0.93 -4.58 117.00 114.46 3iqe n LEU 24 Ca 0.02 -0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 55.59 3iqe n LEU 24 Cb 0.15 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3iqe n LEU 24 CO 0.12 0.15 -0.02 -0.67 -1.33 0.00 0.00 177.39 175.64 3iqe n ASP 25 N -1.74 -0.36 0.31 -1.43 2.03 -1.11 -4.99 116.55 109.26 3iqe n ASP 25 Ca 0.02 -3.26 0.18 0.00 0.52 0.00 0.00 54.79 52.25 3iqe n ASP 25 Cb 0.40 0.33 1.02 0.00 -0.72 0.00 0.00 41.12 42.15 3iqe n ASP 25 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3iqe h GLU 26 N 3.02 0.00 -0.13 -0.67 9.09 -1.80 -0.17 114.58 123.93 3iqe h GLU 26 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 3iqe h GLU 26 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 3iqe h GLU 26 CO 0.36 0.01 0.00 0.54 0.05 0.00 0.00 179.01 179.97 3iqe n ARG 27 N -3.51 2.46 -2.55 1.06 1.74 -1.26 -4.99 116.66 109.61 3iqe n ARG 27 Ca -0.03 -1.59 -0.13 0.00 -0.77 0.00 0.00 57.85 55.33 3iqe n ARG 27 Cb 0.09 -1.11 -0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3iqe n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iqe n ALA 28 N -0.02 -0.82 -0.28 7.54 0.00 -0.08 -4.84 120.51 122.01 3iqe n ALA 28 Ca 0.05 0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.64 3iqe n ALA 28 Cb 0.29 -1.66 0.15 0.00 0.00 0.00 0.00 19.45 18.23 3iqe n ALA 28 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iqe n ASP 29 N -1.86 2.91 -4.68 0.00 5.75 -1.26 -4.97 116.55 112.44 3iqe n ASP 29 Ca -0.13 -2.16 -0.42 0.00 -0.01 0.00 0.00 54.79 52.07 3iqe n ASP 29 Cb 0.60 -0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 40.42 3iqe n ASP 29 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3iqe s ARG 30 N -1.29 4.32 0.00 0.11 0.52 -1.26 -4.42 118.95 116.93 3iqe s ARG 30 Ca 0.23 1.72 0.23 0.00 -0.52 0.00 0.00 55.73 57.38 3iqe s ARG 30 Cb 0.14 -3.60 0.47 0.00 0.52 0.00 0.00 34.95 32.49 3iqe s ARG 30 CO 0.12 -0.51 1.42 0.39 0.02 0.00 0.00 175.30 176.75 3iqe n GLU 31 N 5.46 2.38 -0.04 3.54 1.02 -0.25 -4.34 120.64 128.42 3iqe n GLU 31 Ca 0.12 -2.09 0.02 0.00 -0.02 0.00 0.00 57.16 55.18 3iqe n GLU 31 Cb 0.46 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.42 3iqe n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3iqe n ASP 32 N 1.30 2.01 -4.07 1.62 3.85 -1.26 -4.85 116.55 115.15 3iqe n ASP 32 Ca 0.19 -1.79 -0.09 0.00 -0.71 0.00 0.00 54.79 52.39 3iqe n ASP 32 Cb 0.56 -0.05 -0.11 0.00 -1.35 0.00 0.00 41.12 40.18 3iqe n ASP 32 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3iqe s VAL 33 N -0.82 0.34 -0.09 2.12 -7.23 -1.26 -0.60 120.40 112.86 3iqe s VAL 33 Ca 0.06 -1.44 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 3iqe s VAL 33 Cb 0.03 -1.02 0.03 0.00 0.56 0.00 0.00 36.38 35.99 3iqe s VAL 33 CO 0.04 -0.71 0.23 -0.70 -0.31 0.00 0.00 175.10 173.64 3iqe s GLU 34 N -2.75 0.23 0.09 4.82 2.12 -0.26 -4.92 118.70 118.03 3iqe s GLU 34 Ca -0.02 0.38 0.06 0.00 0.36 0.00 0.00 54.97 55.76 3iqe s GLU 34 Cb -0.01 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.38 3iqe s GLU 34 CO -0.04 -0.08 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.36 3iqe s PHE 35 N 0.54 1.47 0.07 5.30 2.99 -1.26 -1.94 117.98 125.16 3iqe s PHE 35 Ca -0.04 -0.45 0.09 0.00 0.00 0.00 0.00 56.93 56.54 3iqe s PHE 35 Cb -0.05 -0.81 -0.03 0.00 0.00 0.00 0.00 43.02 42.13 3iqe s PHE 35 CO -0.03 0.13 -0.24 1.03 -0.00 0.00 0.00 175.22 176.11 3iqe s ARG 36 N -1.86 1.45 -0.07 0.44 1.81 -0.59 -4.97 118.95 115.16 3iqe s ARG 36 Ca 0.02 -1.12 0.02 0.00 -1.72 0.00 0.00 55.73 52.93 3iqe s ARG 36 Cb -0.10 -1.70 0.01 0.00 -0.45 0.00 0.00 34.95 32.72 3iqe s ARG 36 CO 0.03 0.42 -0.11 0.08 -0.68 0.00 0.00 175.30 175.04 3iqe s VAL 37 N -0.93 1.08 0.06 3.52 1.01 -1.26 -0.37 120.40 123.51 3iqe s VAL 37 Ca 0.10 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3iqe s VAL 37 Cb -0.10 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3iqe s VAL 37 CO 0.03 0.35 -0.06 0.68 0.00 0.00 0.00 175.10 176.10 3iqe s VAL 38 N 0.79 0.49 0.00 2.92 -7.23 -0.12 -4.97 120.40 112.29 3iqe s VAL 38 Ca -0.12 -1.40 -0.28 0.00 -1.81 0.00 0.00 61.98 58.37 3iqe s VAL 38 Cb -0.15 -0.99 0.10 0.00 0.56 0.00 0.00 36.38 35.89 3iqe s VAL 38 CO 0.02 -0.62 1.26 -0.83 -0.31 0.00 0.00 175.10 174.63 3iqe s GLY 39 N -2.16 -0.14 -0.22 2.32 0.00 -1.26 -1.45 107.32 104.41 3iqe s GLY 39 Ca -0.02 0.07 0.13 0.00 0.00 0.00 0.00 44.72 44.90 3iqe s GLY 39 CO -0.03 4.73 1.35 -1.30 0.00 0.00 0.00 173.10 177.85 3iqe n THR 40 N -0.84 2.31 -3.07 0.90 -2.24 -1.14 -4.97 114.28 105.23 3iqe n THR 40 Ca 0.02 -2.54 0.00 0.00 -2.27 0.00 0.00 64.05 59.26 3iqe n THR 40 Cb 0.59 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 3iqe n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iqe n SER 41 N -1.04 0.00 0.14 3.42 2.88 -1.26 -2.93 113.62 114.84 3iqe n SER 41 Ca 0.25 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.91 3iqe n SER 41 Cb 0.87 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.81 3iqe n SER 41 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3iqe h VAL 42 N 0.00 0.00 -3.43 2.46 -1.51 -1.91 -0.86 116.25 110.99 3iqe h VAL 42 Ca 0.00 -0.35 -0.54 0.00 -1.23 0.00 0.00 66.70 64.58 3iqe h VAL 42 Cb 0.00 1.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.34 3iqe h VAL 42 CO 0.00 0.00 0.37 -0.54 -1.23 0.00 0.00 177.57 176.17 3iqe s LYS 43 N -3.30 4.58 0.00 5.19 1.02 -1.15 -3.45 119.74 122.63 3iqe s LYS 43 Ca 0.06 1.42 0.13 0.00 0.02 0.00 0.00 55.97 57.60 3iqe s LYS 43 Cb 0.10 -3.45 0.22 0.00 -0.52 0.00 0.00 37.83 34.18 3iqe s LYS 43 CO 0.47 -0.01 1.05 0.00 -0.92 0.00 0.00 175.35 175.94 3iqe n MET 44 N 3.74 0.00 -1.58 1.68 0.00 -1.26 -3.93 117.12 115.77 3iqe n MET 44 Ca 0.05 -1.44 -0.34 0.00 0.00 0.00 0.00 57.70 55.98 3iqe n MET 44 Cb 0.51 -0.02 0.07 0.00 0.00 0.00 0.00 33.22 33.78 3iqe n MET 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3iqe s ASP 45 N -1.44 4.60 0.42 3.17 -4.77 -1.26 -3.82 116.67 113.56 3iqe s ASP 45 Ca 0.18 2.20 0.20 0.00 -3.30 0.00 0.00 52.55 51.82 3iqe s ASP 45 Cb 0.20 -2.57 1.13 0.00 -1.09 0.00 0.00 42.92 40.59 3iqe s ASP 45 CO -0.09 -1.98 1.80 -0.65 0.70 0.00 0.00 175.17 174.95 3iqe h PRO 46 N -0.14 0.35 -0.28 2.11 0.11 -1.87 -0.38 132.00 131.91 3iqe h PRO 46 Ca -0.47 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3iqe h PRO 46 Cb 1.27 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3iqe h PRO 46 CO 0.52 0.23 -0.27 0.93 -0.21 0.00 0.00 178.00 179.20 3iqe h GLU 47 N 0.36 0.67 -0.08 1.05 3.07 -1.97 -1.11 114.58 116.58 3iqe h GLU 47 Ca 0.55 -0.35 -0.09 0.00 -0.50 0.00 0.00 59.36 58.97 3iqe h GLU 47 Cb 1.46 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 3iqe h GLU 47 CO -0.23 0.96 -0.31 0.00 -1.40 0.00 0.00 179.01 178.03 3iqe h VAL 49 N -0.12 0.74 -0.22 0.00 2.07 -1.17 0.73 116.25 118.29 3iqe h VAL 49 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3iqe h VAL 49 Cb 0.94 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3iqe h VAL 49 CO 0.06 0.00 0.15 -0.08 0.02 0.00 0.00 177.57 177.73 3iqe h GLU 50 N -0.09 0.09 -0.03 1.57 4.81 -1.22 0.56 114.58 120.27 3iqe h GLU 50 Ca 0.08 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 3iqe h GLU 50 Cb 0.21 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3iqe h GLU 50 CO -0.18 0.06 -0.60 0.00 -0.73 0.00 0.00 179.01 177.56 3iqe h ALA 51 N 1.89 0.95 0.01 2.92 0.00 -0.62 -2.00 119.26 122.41 3iqe h ALA 51 Ca 0.10 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iqe h ALA 51 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3iqe h ALA 51 CO -0.01 0.74 -0.01 0.00 0.00 0.00 0.00 179.25 179.97 3iqe h ALA 52 N 1.32 -0.02 -0.53 0.00 0.00 0.12 -2.13 119.26 118.02 3iqe h ALA 52 Ca -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3iqe h ALA 52 Cb 1.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3iqe h ALA 52 CO 0.08 -0.20 0.18 0.28 0.00 0.00 0.00 179.25 179.59 3iqe h VAL 53 N -0.63 1.20 0.36 0.00 2.07 -1.15 -1.51 116.25 116.60 3iqe h VAL 53 Ca -0.00 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3iqe h VAL 53 Cb 0.61 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3iqe h VAL 53 CO 0.00 0.26 -0.20 -0.33 0.02 0.00 0.00 177.57 177.32 3iqe h GLU 54 N 0.76 -0.51 -0.77 1.57 4.39 -1.32 0.22 114.58 118.91 3iqe h GLU 54 Ca 0.18 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.08 3iqe h GLU 54 Cb 0.20 0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 28.82 3iqe h GLU 54 CO -0.01 -0.34 -0.14 0.52 -1.16 0.00 0.00 179.01 177.88 3iqe h MET 55 N -0.53 0.02 -0.23 2.33 2.86 -1.12 0.13 114.93 118.39 3iqe h MET 55 Ca -0.04 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3iqe h MET 55 Cb 0.43 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3iqe h MET 55 CO 0.05 0.01 0.08 0.00 1.06 0.00 0.00 176.91 178.12 3iqe h ALA 56 N 1.76 0.31 -0.17 6.32 0.00 -0.39 -1.58 119.26 125.51 3iqe h ALA 56 Ca 0.39 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 3iqe h ALA 56 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3iqe h ALA 56 CO -0.77 -0.09 -0.46 -0.07 0.00 0.00 0.00 179.25 177.86 3iqe h LEU 57 N 0.22 0.47 0.28 0.00 3.38 0.10 0.13 115.31 119.89 3iqe h LEU 57 Ca 0.08 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3iqe h LEU 57 Cb 0.20 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3iqe h LEU 57 CO -0.00 0.87 -0.38 -0.78 0.09 0.00 0.00 178.44 178.23 3iqe h ASP 58 N 0.36 -1.06 -0.48 -0.43 3.58 -0.65 -2.20 116.42 115.54 3iqe h ASP 58 Ca 0.02 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 3iqe h ASP 58 Cb 0.95 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 42.34 3iqe h ASP 58 CO 0.08 -0.50 0.30 0.40 -2.88 0.00 0.00 179.24 176.65 3iqe h ILE 59 N -0.71 1.14 -0.71 2.25 2.04 -1.00 -2.35 117.51 118.16 3iqe h ILE 59 Ca -0.01 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3iqe h ILE 59 Cb 0.67 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3iqe h ILE 59 CO -0.13 0.14 0.44 0.00 0.00 0.00 0.00 178.15 178.61 3iqe h ALA 60 N 1.66 1.44 -0.86 1.87 0.00 -0.15 -0.07 119.26 123.16 3iqe h ALA 60 Ca 0.18 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.20 3iqe h ALA 60 Cb -0.04 -0.29 -0.16 0.00 0.00 0.00 0.00 17.79 17.30 3iqe h ALA 60 CO -0.03 0.50 -0.18 0.93 0.00 0.00 0.00 179.25 180.46 3iqe h GLU 61 N 0.98 0.01 0.00 0.00 4.39 -0.98 1.09 114.58 120.07 3iqe h GLU 61 Ca 0.26 -0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.69 3iqe h GLU 61 Cb -0.07 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 3iqe h GLU 61 CO -0.05 0.01 -1.89 -0.25 -1.16 0.00 0.00 179.01 175.66 3iqe n ASP 62 N -5.53 0.52 0.10 1.42 8.00 -1.06 -4.38 116.55 115.62 3iqe n ASP 62 Ca 0.13 0.24 -0.16 0.00 0.71 0.00 0.00 54.79 55.72 3iqe n ASP 62 Cb 0.46 0.48 -0.14 0.00 -0.02 0.00 0.00 41.12 41.90 3iqe n ASP 62 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3iqe h PHE 63 N 0.00 0.48 -5.66 1.24 3.57 0.40 -3.49 116.94 113.49 3iqe h PHE 63 Ca -0.33 -0.35 -0.19 0.00 3.53 0.00 0.00 57.97 60.63 3iqe h PHE 63 Cb 1.93 -0.02 0.08 0.00 2.79 0.00 0.00 35.95 40.73 3iqe h PHE 63 CO 0.00 1.28 -0.52 0.39 -2.23 0.00 0.00 178.31 177.23 3iqe n GLU 64 N -3.53 -1.62 -2.26 1.11 1.02 0.36 -4.95 120.64 110.78 3iqe n GLU 64 Ca -0.08 1.07 -0.34 0.00 -0.02 0.00 0.00 57.16 57.79 3iqe n GLU 64 Cb 1.02 -5.21 -0.01 0.00 -0.02 0.00 0.00 31.44 27.22 3iqe n GLU 64 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3iqe s PRO 65 N -4.08 3.48 0.15 3.49 0.04 -1.26 -4.86 135.00 131.96 3iqe s PRO 65 Ca 0.22 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3iqe s PRO 65 Cb -0.05 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3iqe s PRO 65 CO 0.78 -0.69 1.35 -0.44 0.04 0.00 0.00 177.00 178.03 3iqe h ASP 66 N 0.99 0.33 -5.22 6.66 5.19 -1.03 -3.47 116.42 119.87 3iqe h ASP 66 Ca -0.48 -0.27 -0.06 0.00 -0.62 0.00 0.00 57.03 55.59 3iqe h ASP 66 Cb 1.23 -0.10 -0.10 0.00 0.18 0.00 0.00 39.33 40.54 3iqe h ASP 66 CO 0.58 1.08 -0.13 0.72 -3.12 0.00 0.00 179.24 178.36 3iqe s PHE 67 N -3.20 0.29 0.04 4.55 -0.12 -1.19 -4.38 117.98 113.97 3iqe s PHE 67 Ca -0.04 -0.65 0.07 0.00 -0.05 0.00 0.00 56.93 56.27 3iqe s PHE 67 Cb 0.10 0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 3iqe s PHE 67 CO 0.84 -0.93 -0.21 0.42 -0.05 0.00 0.00 175.22 175.30 3iqe s ILE 68 N -3.98 1.65 -0.06 -4.49 1.01 -0.39 -2.25 121.20 112.69 3iqe s ILE 68 Ca 0.19 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 59.69 3iqe s ILE 68 Cb 0.00 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 41.04 3iqe s ILE 68 CO 0.05 0.21 -0.14 -0.69 0.00 0.00 0.00 174.94 174.37 3iqe s VAL 69 N -0.79 1.25 -0.24 2.92 1.01 -0.08 0.31 120.40 124.78 3iqe s VAL 69 Ca 0.07 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 3iqe s VAL 69 Cb -0.09 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.19 3iqe s VAL 69 CO 0.02 0.38 -0.07 -0.47 0.00 0.00 0.00 175.10 174.96 3iqe s TYR 70 N 0.47 3.02 -0.09 5.22 6.14 0.13 -0.77 117.35 131.47 3iqe s TYR 70 Ca -0.12 -1.43 0.05 0.00 0.64 0.00 0.00 57.07 56.20 3iqe s TYR 70 Cb -0.15 -2.06 -0.00 0.00 0.42 0.00 0.00 41.96 40.17 3iqe s TYR 70 CO 0.04 -0.70 -0.24 0.20 0.64 0.00 0.00 175.55 175.49 3iqe s GLY 71 N 1.35 1.31 0.00 8.97 0.00 0.57 -0.34 107.32 119.17 3iqe s GLY 71 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3iqe s GLY 71 CO -0.05 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.26 3iqe n GLY 72 N 3.37 0.22 3.75 0.20 0.00 -0.92 -2.56 105.19 109.24 3iqe n GLY 72 Ca -0.19 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 3iqe n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iqe n PRO 73 N -0.25 2.62 -3.16 1.61 -0.02 -1.26 -4.29 135.00 130.26 3iqe n PRO 73 Ca 0.00 0.92 -0.14 0.00 -2.02 0.00 0.00 63.50 62.27 3iqe n PRO 73 Cb 0.00 -2.67 0.01 0.00 -0.02 0.00 0.00 33.50 30.83 3iqe n PRO 73 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3iqe n ASN 74 N 1.40 -6.71 0.33 2.55 5.15 -1.26 -4.83 115.26 111.89 3iqe n ASN 74 Ca 0.06 0.43 0.09 0.00 -0.60 0.00 0.00 54.58 54.56 3iqe n ASN 74 Cb 0.37 -2.85 0.47 0.00 -0.53 0.00 0.00 39.78 37.24 3iqe n ASN 74 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3iqe h PRO 75 N 2.79 0.00 0.00 1.20 0.11 -1.88 -1.60 132.00 132.62 3iqe h PRO 75 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3iqe h PRO 75 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3iqe h PRO 75 CO 0.12 0.00 -0.56 0.00 -0.21 0.00 0.00 178.00 177.35 3iqe n ALA 76 N -1.72 2.88 -1.56 -0.75 0.00 -1.26 -3.74 120.51 114.37 3iqe n ALA 76 Ca -0.01 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 3iqe n ALA 76 Cb 0.64 -1.20 0.10 0.00 0.00 0.00 0.00 19.45 18.99 3iqe n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iqe s ALA 77 N -3.15 2.20 0.15 0.00 0.00 -0.60 -4.80 121.76 115.55 3iqe s ALA 77 Ca 0.07 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 3iqe s ALA 77 Cb 0.13 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.16 3iqe s ALA 77 CO 0.71 -1.79 1.81 -1.35 0.00 0.00 0.00 175.76 175.13 3iqe h PRO 78 N -1.14 0.48 0.92 0.00 0.11 -1.90 0.20 132.00 130.66 3iqe h PRO 78 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3iqe h PRO 78 Cb 1.28 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3iqe h PRO 78 CO 0.60 0.32 -0.47 0.78 -0.21 0.00 0.00 178.00 179.01 3iqe h GLY 79 N 0.49 -1.34 2.00 -0.55 0.00 -1.85 -1.74 103.07 100.08 3iqe h GLY 79 Ca 0.14 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.97 3iqe h GLY 79 CO -0.03 -0.48 -0.04 -2.55 0.00 0.00 0.00 176.54 173.44 3iqe h PRO 80 N -1.27 0.00 -0.17 4.80 0.11 -1.74 0.14 132.00 133.87 3iqe h PRO 80 Ca -0.12 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.90 3iqe h PRO 80 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3iqe h PRO 80 CO 0.19 0.04 -0.26 0.77 -0.21 0.00 0.00 178.00 178.52 3iqe h SER 81 N 0.00 0.32 -0.35 -2.05 0.02 -0.52 -0.52 113.55 110.45 3iqe h SER 81 Ca -0.00 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 3iqe h SER 81 Cb 0.19 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3iqe h SER 81 CO 0.00 0.58 -0.06 0.50 -1.14 0.00 0.00 176.83 176.71 3iqe h LYS 82 N 0.29 0.66 -0.59 3.45 1.63 0.14 -2.48 116.57 119.67 3iqe h LYS 82 Ca 0.04 -0.24 0.08 0.00 -0.85 0.00 0.00 60.65 59.68 3iqe h LYS 82 Cb 0.62 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.14 3iqe h LYS 82 CO 0.04 0.81 0.24 0.00 -3.45 0.00 0.00 179.45 177.10 3iqe h ALA 83 N 0.83 0.76 -0.76 5.00 0.00 -0.57 -1.50 119.26 123.02 3iqe h ALA 83 Ca 0.09 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3iqe h ALA 83 Cb 0.55 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3iqe h ALA 83 CO 0.03 -0.16 0.38 0.00 0.00 0.00 0.00 179.25 179.50 3iqe h ARG 84 N 0.44 1.08 -0.36 0.00 3.08 -0.90 0.10 114.38 117.83 3iqe h ARG 84 Ca 0.29 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 3iqe h ARG 84 Cb 0.31 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3iqe h ARG 84 CO -0.26 0.83 -0.22 1.49 -1.07 0.00 0.00 179.97 180.74 3iqe h GLU 85 N 1.06 0.79 -0.23 0.04 4.81 -1.07 0.12 114.58 120.09 3iqe h GLU 85 Ca 0.26 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3iqe h GLU 85 Cb 0.10 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3iqe h GLU 85 CO -0.04 0.99 0.03 0.52 -0.73 0.00 0.00 179.01 179.79 3iqe h MET 86 N 0.58 0.39 -0.03 1.92 2.86 -0.93 -2.17 114.93 117.55 3iqe h MET 86 Ca 0.08 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 3iqe h MET 86 Cb 0.78 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3iqe h MET 86 CO 0.06 0.54 -0.56 -0.07 1.06 0.00 0.00 176.91 177.94 3iqe h LEU 87 N 0.19 0.12 -0.85 1.22 3.38 -0.72 -2.01 115.31 116.63 3iqe h LEU 87 Ca 0.07 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3iqe h LEU 87 Cb 0.34 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3iqe h LEU 87 CO 0.01 0.65 -0.56 0.00 0.09 0.00 0.00 178.44 178.63 3iqe h ALA 88 N 1.35 1.04 0.04 1.53 0.00 -0.65 -2.96 119.26 119.61 3iqe h ALA 88 Ca -0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 54.91 54.16 3iqe h ALA 88 Cb 1.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3iqe h ALA 88 CO 0.08 0.70 -1.15 0.22 0.00 0.00 0.00 179.25 179.10 3iqe h ASP 89 N 0.00 0.14 -3.61 0.00 3.58 -1.10 -3.47 116.42 111.96 3iqe h ASP 89 Ca -0.01 -0.16 -0.44 0.00 0.42 0.00 0.00 57.03 56.85 3iqe h ASP 89 Cb 1.01 -0.05 0.18 0.00 1.72 0.00 0.00 39.33 42.20 3iqe h ASP 89 CO 0.07 1.13 0.12 -0.94 -2.88 0.00 0.00 179.24 176.74 3iqe s SER 90 N -6.80 1.73 0.22 2.28 1.04 -0.78 -4.93 113.70 106.45 3iqe s SER 90 Ca -0.01 1.15 0.25 0.00 0.48 0.00 0.00 55.95 57.82 3iqe s SER 90 Cb 0.09 -1.79 0.88 0.00 0.10 0.00 0.00 66.02 65.30 3iqe s SER 90 CO 0.84 -3.69 1.76 -1.84 0.98 0.00 0.00 173.24 171.29 3iqe n GLU 91 N -4.54 0.23 -3.35 4.02 0.28 -1.26 -4.86 120.64 111.16 3iqe n GLU 91 Ca 0.06 0.28 -0.38 0.00 -0.16 0.00 0.00 57.16 56.96 3iqe n GLU 91 Cb 0.57 -1.82 -0.06 0.00 1.43 0.00 0.00 31.44 31.56 3iqe n GLU 91 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3iqe s TYR 92 N -3.17 3.52 0.25 -1.84 2.02 -1.26 -5.03 117.35 111.83 3iqe s TYR 92 Ca 0.08 0.86 -0.31 0.00 -0.37 0.00 0.00 57.07 57.33 3iqe s TYR 92 Cb 0.11 -2.51 -0.13 0.00 -0.40 0.00 0.00 41.96 39.03 3iqe s TYR 92 CO 0.52 0.20 1.42 -2.30 -1.57 0.00 0.00 175.55 173.83 3iqe n PRO 93 N 3.55 2.12 -4.11 -1.71 -0.02 -1.26 -4.79 135.00 128.78 3iqe n PRO 93 Ca -0.08 0.75 -0.15 0.00 -2.02 0.00 0.00 63.50 62.00 3iqe n PRO 93 Cb 0.52 -2.42 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 3iqe n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iqe s ALA 94 N -0.11 0.81 -0.04 3.55 0.00 -1.26 -1.26 121.76 123.45 3iqe s ALA 94 Ca 0.67 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.83 3iqe s ALA 94 Cb -0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3iqe s ALA 94 CO 0.50 0.06 -0.18 0.08 0.00 0.00 0.00 175.76 176.21 3iqe s VAL 95 N -1.31 1.52 -0.25 0.00 1.01 0.15 -2.14 120.40 119.38 3iqe s VAL 95 Ca -0.07 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 3iqe s VAL 95 Cb -0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3iqe s VAL 95 CO 0.01 0.43 0.12 -0.63 0.00 0.00 0.00 175.10 175.04 3iqe s ILE 96 N -0.05 4.85 -0.23 2.22 -1.09 -0.27 0.19 121.20 126.81 3iqe s ILE 96 Ca -0.02 0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.31 3iqe s ILE 96 Cb -0.11 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 3iqe s ILE 96 CO 0.02 0.32 0.13 -0.63 -1.23 0.00 0.00 174.94 173.55 3iqe s ILE 97 N 1.44 5.07 0.30 2.92 1.09 0.53 -0.35 121.20 132.20 3iqe s ILE 97 Ca 0.06 0.08 -0.08 0.00 -1.10 0.00 0.00 60.65 59.61 3iqe s ILE 97 Cb -0.15 -3.35 0.03 0.00 -1.06 0.00 0.00 42.46 37.93 3iqe s ILE 97 CO 0.06 0.37 0.54 0.61 -0.10 0.00 0.00 174.94 176.41 3iqe n GLY 98 N 4.25 1.57 1.42 6.18 0.00 -0.34 -2.17 105.19 116.10 3iqe n GLY 98 Ca -0.15 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 3iqe n GLY 98 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iqe n ASP 99 N -1.51 1.29 -0.34 1.61 3.85 -1.26 0.66 116.55 120.84 3iqe n ASP 99 Ca -0.04 -1.64 0.17 0.00 -0.71 0.00 0.00 54.79 52.56 3iqe n ASP 99 Cb 0.46 -0.07 0.37 0.00 -1.35 0.00 0.00 41.12 40.53 3iqe n ASP 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3iqe h ALA 100 N 0.57 1.73 -0.66 2.12 0.00 -1.81 -1.80 119.26 119.42 3iqe h ALA 100 Ca -0.12 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3iqe h ALA 100 Cb 0.46 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3iqe h ALA 100 CO 0.18 -0.28 0.44 -1.35 0.00 0.00 0.00 179.25 178.24 3iqe h PRO 101 N 0.56 0.41 0.00 0.00 0.11 -1.96 0.29 132.00 131.41 3iqe h PRO 101 Ca 0.63 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.72 3iqe h PRO 101 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3iqe h PRO 101 CO -0.48 0.27 0.36 0.78 -0.21 0.00 0.00 178.00 178.72 3iqe h GLY 102 N 0.42 0.00 2.00 -0.55 0.00 -1.67 -2.37 103.07 100.90 3iqe h GLY 102 Ca 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 3iqe h GLY 102 CO -0.09 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.72 3iqe h LEU 103 N 0.00 0.00 -1.79 3.11 3.38 -1.11 -1.70 115.31 117.20 3iqe h LEU 103 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3iqe h LEU 103 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3iqe h LEU 103 CO 0.00 0.14 0.31 0.11 0.09 0.00 0.00 178.44 179.09 3iqe h LYS 104 N 0.00 0.23 -0.12 1.13 1.57 -1.64 -2.89 116.57 114.86 3iqe h LYS 104 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3iqe h LYS 104 Cb 0.28 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3iqe h LYS 104 CO 0.02 0.15 -0.01 1.33 -0.57 0.00 0.00 179.45 180.38 3iqe n VAL 105 N -4.46 2.08 -0.21 0.50 0.24 -0.67 -4.71 118.33 111.10 3iqe n VAL 105 Ca 0.07 -2.12 -0.06 0.00 -2.04 0.00 0.00 64.34 60.18 3iqe n VAL 105 Cb 0.36 -0.25 0.04 0.00 -1.47 0.00 0.00 33.84 32.51 3iqe n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3iqe h LYS 106 N 0.80 0.82 -0.58 7.34 3.64 -1.26 -0.43 116.57 126.90 3iqe h LYS 106 Ca 0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3iqe h LYS 106 Cb 1.20 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 3iqe h LYS 106 CO 0.10 0.58 0.36 -0.44 -2.27 0.00 0.00 179.45 177.77 3iqe h ASP 107 N 0.82 0.68 -0.75 4.20 5.19 -1.84 -2.62 116.42 122.11 3iqe h ASP 107 Ca 0.22 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3iqe h ASP 107 Cb -0.04 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.26 3iqe h ASP 107 CO -0.04 0.53 0.45 -0.08 -3.12 0.00 0.00 179.24 176.97 3iqe h GLU 108 N 0.78 1.02 -0.61 3.56 4.81 -1.74 -2.35 114.58 120.05 3iqe h GLU 108 Ca 0.21 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3iqe h GLU 108 Cb -0.04 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 3iqe h GLU 108 CO -0.04 0.72 0.12 0.52 -0.73 0.00 0.00 179.01 179.61 3iqe h MET 109 N 1.02 0.96 -0.64 1.92 2.86 -0.75 -0.73 114.93 119.58 3iqe h MET 109 Ca 0.27 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3iqe h MET 109 Cb -0.03 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 3iqe h MET 109 CO -0.05 0.87 0.08 0.93 1.06 0.00 0.00 176.91 179.80 3iqe h GLU 110 N 0.91 1.06 -0.68 1.72 5.08 -1.20 -1.08 114.58 120.40 3iqe h GLU 110 Ca 0.19 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3iqe h GLU 110 Cb 0.36 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3iqe h GLU 110 CO 0.00 0.98 0.43 1.49 -1.00 0.00 0.00 179.01 180.91 3iqe h GLU 111 N 0.99 0.82 0.00 2.33 4.81 -0.89 -2.06 114.58 120.58 3iqe h GLU 111 Ca 0.19 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3iqe h GLU 111 Cb 0.45 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3iqe h GLU 111 CO 0.02 0.54 0.00 1.04 -0.73 0.00 0.00 179.01 179.88 3iqe n GLN 112 N -4.67 0.01 -1.35 1.92 6.02 -0.33 -4.87 117.38 114.11 3iqe n GLN 112 Ca 0.07 0.30 -0.03 0.00 -0.01 0.00 0.00 57.00 57.33 3iqe n GLN 112 Cb 0.07 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 3iqe n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iqe n GLY 113 N -0.37 0.54 3.91 1.08 0.00 -0.77 -4.80 105.19 104.77 3iqe n GLY 113 Ca 0.03 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 3iqe n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iqe s LEU 114 N -0.85 4.32 0.61 0.99 1.43 -0.45 -4.76 118.68 119.98 3iqe s LEU 114 Ca 0.00 0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 53.47 3iqe s LEU 114 Cb 0.00 -3.08 0.03 0.00 0.03 0.00 0.00 46.19 43.17 3iqe s LEU 114 CO 0.00 0.13 0.90 -0.83 0.23 0.00 0.00 176.35 176.78 3iqe s GLY 115 N -2.42 1.65 -0.12 -3.19 0.00 -0.91 -4.38 107.32 97.95 3iqe s GLY 115 Ca 0.37 -0.86 -0.20 0.00 0.00 0.00 0.00 44.72 44.02 3iqe s GLY 115 CO 0.26 -0.55 0.50 -2.52 0.00 0.00 0.00 173.10 170.79 3iqe s TYR 116 N -3.01 -0.49 -0.22 1.90 1.13 -0.05 -1.12 117.35 115.50 3iqe s TYR 116 Ca 0.56 1.05 0.00 0.00 -1.41 0.00 0.00 57.07 57.27 3iqe s TYR 116 Cb -0.11 0.22 0.06 0.00 -1.10 0.00 0.00 41.96 41.03 3iqe s TYR 116 CO 0.44 -0.38 -0.04 0.42 -2.51 0.00 0.00 175.55 173.47 3iqe s ILE 117 N -0.47 1.35 -0.29 -3.49 1.01 0.53 -1.05 121.20 118.79 3iqe s ILE 117 Ca -0.06 -1.06 -0.10 0.00 0.00 0.00 0.00 60.65 59.43 3iqe s ILE 117 Cb -0.03 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3iqe s ILE 117 CO 0.04 -0.08 0.16 -0.76 0.00 0.00 0.00 174.94 174.30 3iqe s LEU 118 N 1.49 3.98 -0.44 2.97 1.43 -0.07 -1.20 118.68 126.83 3iqe s LEU 118 Ca -0.04 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 3iqe s LEU 118 Cb -0.18 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.09 3iqe s LEU 118 CO -0.07 -0.10 0.29 -0.69 0.23 0.00 0.00 176.35 176.01 3iqe s VAL 119 N 1.69 4.06 0.25 -1.59 1.01 0.21 -0.14 120.40 125.90 3iqe s VAL 119 Ca 0.06 -1.69 -0.03 0.00 0.00 0.00 0.00 61.98 60.32 3iqe s VAL 119 Cb -0.16 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 32.73 3iqe s VAL 119 CO 0.08 -0.66 1.78 0.11 0.00 0.00 0.00 175.10 176.41 3iqe h LYS 120 N 8.37 0.92 0.00 2.72 1.57 -1.25 -1.63 116.57 127.27 3iqe h LYS 120 Ca -0.21 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3iqe h LYS 120 Cb 1.07 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3iqe h LYS 120 CO 0.80 0.84 0.00 -2.30 -0.57 0.00 0.00 179.45 178.21 3iqe n PRO 121 N -4.25 0.07 -2.12 3.15 -0.02 -1.26 -4.39 135.00 126.18 3iqe n PRO 121 Ca 0.04 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 3iqe n PRO 121 Cb 0.25 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3iqe n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iqe n ASP 122 N -1.75 4.43 -4.81 2.55 -0.08 -0.61 -4.43 116.55 111.84 3iqe n ASP 122 Ca 0.03 -2.92 -0.38 0.00 -1.51 0.00 0.00 54.79 50.01 3iqe n ASP 122 Cb 0.18 -1.64 -0.06 0.00 2.34 0.00 0.00 41.12 41.94 3iqe n ASP 122 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iqe s ALA 123 N 2.80 3.56 0.35 -1.67 0.00 -1.26 -4.76 121.76 120.78 3iqe s ALA 123 Ca 0.47 0.06 -0.27 0.00 0.00 0.00 0.00 51.96 52.22 3iqe s ALA 123 Cb 0.10 -2.67 -0.12 0.00 0.00 0.00 0.00 23.12 20.43 3iqe s ALA 123 CO -0.03 0.39 1.15 -0.12 0.00 0.00 0.00 175.76 177.15 3iqe n MET 124 N 1.51 1.72 -2.54 0.00 1.56 -1.26 -4.93 117.12 113.18 3iqe n MET 124 Ca -0.09 0.61 -0.24 0.00 -0.27 0.00 0.00 57.70 57.71 3iqe n MET 124 Cb 0.51 -2.14 0.11 0.00 2.15 0.00 0.00 33.22 33.85 3iqe n MET 124 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 3iqe s LEU 125 N -0.58 2.97 -1.13 -0.89 0.05 -1.26 -4.59 118.68 113.25 3iqe s LEU 125 Ca 0.59 -0.28 -0.16 0.00 0.05 0.00 0.00 54.13 54.33 3iqe s LEU 125 Cb -0.59 -2.09 0.15 0.00 -2.05 0.00 0.00 46.19 41.61 3iqe s LEU 125 CO 0.60 -1.87 1.37 -0.83 -0.55 0.00 0.00 176.35 175.07 3iqe s GLY 126 N -4.72 2.17 -1.26 -3.48 0.00 -1.26 -4.88 107.32 93.89 3iqe s GLY 126 Ca 0.66 -3.12 -0.13 0.00 0.00 0.00 0.00 44.72 42.13 3iqe s GLY 126 CO 0.44 2.12 1.66 0.00 0.00 0.00 0.00 173.10 177.32 3iqe n ALA 127 N 6.23 4.42 -2.92 3.20 0.00 -1.26 -4.30 120.51 125.89 3iqe n ALA 127 Ca 0.34 -4.21 -0.26 0.00 0.00 0.00 0.00 53.44 49.31 3iqe n ALA 127 Cb 0.45 -3.12 -0.16 0.00 0.00 0.00 0.00 19.45 16.62 3iqe n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iqe s ARG 128 N 1.55 1.79 0.59 0.00 1.81 -1.26 -4.94 118.95 118.49 3iqe s ARG 128 Ca 0.43 -0.61 0.32 0.00 -1.72 0.00 0.00 55.73 54.16 3iqe s ARG 128 Cb 0.03 -1.55 1.83 0.00 -0.45 0.00 0.00 34.95 34.81 3iqe s ARG 128 CO 0.01 0.24 2.22 -0.09 -0.68 0.00 0.00 175.30 177.00 3iqe h ARG 129 N 6.27 0.00 0.00 3.54 2.43 -1.90 -0.11 114.38 124.60 3iqe h ARG 129 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3iqe h ARG 129 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3iqe h ARG 129 CO 0.48 0.03 0.00 0.93 -1.51 0.00 0.00 179.97 179.90 3iqe h GLU 130 N 0.00 0.00 0.00 0.20 3.07 -1.96 -3.37 114.58 112.51 3iqe h GLU 130 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3iqe h GLU 130 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3iqe h GLU 130 CO 0.00 0.00 -0.98 0.34 -1.40 0.00 0.00 179.01 176.97 3iqe n PHE 131 N -2.72 0.00 -2.78 4.33 7.35 -0.72 -4.98 117.46 117.95 3iqe n PHE 131 Ca 0.02 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.28 3iqe n PHE 131 Cb 0.29 0.01 -0.03 0.00 0.35 0.00 0.00 39.48 40.10 3iqe n PHE 131 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iqe s LEU 132 N -5.82 4.22 0.51 -2.13 2.96 -0.13 -4.87 118.68 113.40 3iqe s LEU 132 Ca 0.00 -1.24 0.08 0.00 -0.22 0.00 0.00 54.13 52.75 3iqe s LEU 132 Cb 0.00 -2.46 0.04 0.00 0.50 0.00 0.00 46.19 44.27 3iqe s LEU 132 CO 0.00 -1.42 0.60 1.51 -1.32 0.00 0.00 176.35 175.72 3iqe s ASP 133 N 3.88 5.14 0.26 3.68 -4.77 -1.26 -4.69 116.67 118.91 3iqe s ASP 133 Ca 0.31 -0.80 -0.03 0.00 -3.30 0.00 0.00 52.55 48.73 3iqe s ASP 133 Cb -0.10 -0.06 0.46 0.00 -1.09 0.00 0.00 42.92 42.13 3iqe s ASP 133 CO 0.03 -1.05 1.80 -0.65 0.70 0.00 0.00 175.17 176.01 3iqe h PRO 134 N 0.53 0.77 -0.19 2.11 0.11 -1.99 -0.51 132.00 132.83 3iqe h PRO 134 Ca -0.35 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 3iqe h PRO 134 Cb 1.29 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3iqe h PRO 134 CO 0.47 0.51 0.05 0.28 -0.21 0.00 0.00 178.00 179.10 3iqe h VAL 135 N 0.79 1.20 -0.58 3.15 2.07 -1.98 -0.13 116.25 120.76 3iqe h VAL 135 Ca 0.43 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.33 3iqe h VAL 135 Cb 0.45 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3iqe h VAL 135 CO -0.28 0.20 0.35 -0.08 0.02 0.00 0.00 177.57 177.79 3iqe h GLU 136 N 0.13 0.68 -0.48 1.57 4.57 -1.77 -0.66 114.58 118.61 3iqe h GLU 136 Ca 0.06 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 3iqe h GLU 136 Cb 0.26 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 3iqe h GLU 136 CO 0.00 0.45 0.25 1.98 -1.18 0.00 0.00 179.01 180.51 3iqe h MET 137 N 0.70 0.47 -0.73 1.92 4.05 -0.88 -0.98 114.93 119.48 3iqe h MET 137 Ca 0.24 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.56 3iqe h MET 137 Cb 0.02 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 3iqe h MET 137 CO -0.10 0.31 0.21 0.00 0.23 0.00 0.00 176.91 177.56 3iqe h ALA 138 N 1.26 0.95 -0.79 0.39 0.00 -0.33 -2.39 119.26 118.36 3iqe h ALA 138 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3iqe h ALA 138 Cb 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3iqe h ALA 138 CO -0.14 0.65 0.40 0.82 0.00 0.00 0.00 179.25 180.98 3iqe h ILE 139 N 1.08 1.24 -0.06 0.00 2.04 -0.72 0.10 117.51 121.20 3iqe h ILE 139 Ca 0.23 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3iqe h ILE 139 Cb 0.33 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3iqe h ILE 139 CO -0.00 0.28 -0.02 0.22 0.00 0.00 0.00 178.15 178.63 3iqe h TYR 140 N 1.10 -0.05 -0.55 1.37 3.20 -1.02 -1.71 116.97 119.30 3iqe h TYR 140 Ca 0.27 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 3iqe h TYR 140 Cb 0.09 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3iqe h TYR 140 CO 0.01 -0.04 0.06 -0.91 -1.64 0.00 0.00 178.16 175.64 3iqe h ASN 141 N -0.01 0.86 -0.14 -2.11 2.35 -1.11 0.29 115.58 115.71 3iqe h ASN 141 Ca 0.03 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.60 3iqe h ASN 141 Cb 0.06 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3iqe h ASN 141 CO -0.07 0.89 -0.01 0.00 -1.65 0.00 0.00 177.43 176.60 3iqe h ALA 142 N 1.21 0.11 -0.43 -0.83 0.00 -0.62 0.20 119.26 118.90 3iqe h ALA 142 Ca 0.17 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3iqe h ALA 142 Cb 0.42 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3iqe h ALA 142 CO 0.01 -0.46 0.10 -0.44 0.00 0.00 0.00 179.25 178.47 3iqe h ASP 143 N 0.04 0.66 -0.65 0.00 3.32 -0.71 -1.70 116.42 117.38 3iqe h ASP 143 Ca 0.06 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3iqe h ASP 143 Cb 0.08 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3iqe h ASP 143 CO -0.11 0.72 0.25 0.25 -1.72 0.00 0.00 179.24 178.63 3iqe h LEU 144 N 0.57 0.90 -0.55 1.55 5.85 -0.27 -1.21 115.31 122.14 3iqe h LEU 144 Ca 0.14 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3iqe h LEU 144 Cb 0.32 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3iqe h LEU 144 CO 0.00 0.83 0.34 -0.03 -0.34 0.00 0.00 178.44 179.25 3iqe h MET 145 N 0.91 0.67 -0.69 1.25 4.05 -0.53 0.44 114.93 121.04 3iqe h MET 145 Ca 0.21 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.67 3iqe h MET 145 Cb 0.22 -0.15 -0.06 0.00 -0.80 0.00 0.00 31.60 30.81 3iqe h MET 145 CO -0.02 0.44 0.38 -0.22 0.23 0.00 0.00 176.91 177.72 3iqe h LYS 146 N 0.69 0.65 0.54 0.39 1.63 -0.93 -0.63 116.57 118.92 3iqe h LYS 146 Ca 0.21 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 3iqe h LYS 146 Cb -0.03 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 31.46 3iqe h LYS 146 CO -0.07 0.43 -0.26 0.28 -3.45 0.00 0.00 179.45 176.38 3iqe h VAL 147 N 0.67 0.43 -0.19 2.00 2.07 -0.13 -0.45 116.25 120.66 3iqe h VAL 147 Ca 0.32 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 3iqe h VAL 147 Cb 0.25 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3iqe h VAL 147 CO -0.21 0.03 0.11 -0.07 0.02 0.00 0.00 177.57 177.45 3iqe h LEU 148 N -0.85 0.22 0.16 2.57 3.38 -0.85 -2.17 115.31 117.77 3iqe h LEU 148 Ca -0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iqe h LEU 148 Cb 0.61 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3iqe h LEU 148 CO 0.12 0.17 -0.08 0.00 0.09 0.00 0.00 178.44 178.74 3iqe h ALA 149 N 1.87 -0.21 0.00 1.53 0.00 -0.96 -1.24 119.26 120.25 3iqe h ALA 149 Ca 0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3iqe h ALA 149 Cb -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3iqe h ALA 149 CO -0.01 -0.24 -0.48 0.00 0.00 0.00 0.00 179.25 178.51 3iqe h ALA 150 N -0.61 0.85 0.00 0.00 0.00 -1.06 -2.28 119.26 116.17 3iqe h ALA 150 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3iqe h ALA 150 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3iqe h ALA 150 CO 0.04 0.60 0.00 1.79 0.00 0.00 0.00 179.25 181.68 3iqe h THR 151 N 0.00 0.00 0.00 0.00 1.35 -1.55 -3.45 112.91 109.26 3iqe h THR 151 Ca -0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3iqe h THR 151 Cb 1.11 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 3iqe h THR 151 CO 0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3iqe n GLY 152 N 0.69 0.75 0.33 5.82 0.00 -0.86 -4.97 105.19 106.96 3iqe n GLY 152 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 3iqe n GLY 152 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iqe h VAL 153 N 0.00 1.13 0.00 1.61 2.07 -1.54 -2.13 116.25 117.39 3iqe h VAL 153 Ca 0.00 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3iqe h VAL 153 Cb 0.00 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 3iqe h VAL 153 CO 0.00 0.20 -0.22 -0.26 0.02 0.00 0.00 177.57 177.31 3iqe h PHE 154 N 1.09 0.00 -0.39 1.57 0.05 -1.53 -1.82 116.94 115.91 3iqe h PHE 154 Ca 0.36 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 62.02 3iqe h PHE 154 Cb 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.98 3iqe h PHE 154 CO -0.02 0.22 -0.27 -0.09 -0.18 0.00 0.00 178.31 177.97 3iqe h ARG 155 N 0.00 0.81 -0.54 1.51 2.43 -1.67 0.20 114.38 117.12 3iqe h ARG 155 Ca -0.00 -0.36 -0.03 0.00 -0.81 0.00 0.00 59.98 58.78 3iqe h ARG 155 Cb 0.40 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3iqe h ARG 155 CO 0.03 0.99 0.20 0.28 -1.51 0.00 0.00 179.97 179.96 3iqe h VAL 156 N 0.70 1.22 0.16 0.20 2.07 -1.12 0.99 116.25 120.47 3iqe h VAL 156 Ca 0.08 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3iqe h VAL 156 Cb 0.81 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3iqe h VAL 156 CO 0.07 0.27 -0.08 0.58 0.02 0.00 0.00 177.57 178.43 3iqe h VAL 157 N 0.74 0.89 -0.81 2.57 2.07 -1.11 -1.88 116.25 118.71 3iqe h VAL 157 Ca 0.18 -0.21 0.20 0.00 0.82 0.00 0.00 66.70 67.69 3iqe h VAL 157 Cb 0.22 1.02 -0.13 0.00 -1.52 0.00 0.00 31.29 30.88 3iqe h VAL 157 CO -0.01 0.05 0.17 -0.61 0.02 0.00 0.00 177.57 177.19 3iqe h GLN 158 N -0.31 0.21 0.02 1.57 4.15 -0.26 -2.20 115.11 118.28 3iqe h GLN 158 Ca -0.02 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3iqe h GLN 158 Cb 0.25 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3iqe h GLN 158 CO 0.04 0.14 -0.01 0.93 -1.93 0.00 0.00 178.83 177.99 3iqe h GLU 159 N 0.21 -0.03 -0.55 1.69 5.08 -0.62 -0.31 114.58 120.05 3iqe h GLU 159 Ca 0.48 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.95 3iqe h GLU 159 Cb 0.91 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.06 3iqe h GLU 159 CO -0.61 0.22 -0.22 0.00 -1.00 0.00 0.00 179.01 177.40 3iqe h ALA 160 N 0.70 0.20 -0.16 3.43 0.00 -0.85 0.12 119.26 122.71 3iqe h ALA 160 Ca -0.00 0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3iqe h ALA 160 Cb 0.26 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3iqe h ALA 160 CO 0.00 -0.53 -0.54 0.74 0.00 0.00 0.00 179.25 178.92 3iqe h PHE 161 N -0.09 0.57 -0.27 0.00 0.05 -1.35 -2.26 116.94 113.60 3iqe h PHE 161 Ca 0.25 -0.20 -0.02 0.00 3.82 0.00 0.00 57.97 61.82 3iqe h PHE 161 Cb 0.48 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.31 3iqe h PHE 161 CO -0.53 0.90 0.07 -0.44 -0.18 0.00 0.00 178.31 178.14 3iqe h ASP 162 N 0.35 0.40 -0.51 2.17 3.45 -0.45 -0.95 116.42 120.88 3iqe h ASP 162 Ca 0.01 -0.22 0.10 0.00 0.43 0.00 0.00 57.03 57.35 3iqe h ASP 162 Cb 1.07 -0.11 -0.09 0.00 -0.56 0.00 0.00 39.33 39.64 3iqe h ASP 162 CO 0.10 0.52 -0.10 -0.33 -1.57 0.00 0.00 179.24 177.85 3iqe h GLU 163 N 0.26 0.02 -0.63 3.56 5.08 -0.94 -0.82 114.58 121.11 3iqe h GLU 163 Ca 0.08 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3iqe h GLU 163 Cb 0.27 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3iqe h GLU 163 CO -0.00 0.01 0.24 1.25 -1.00 0.00 0.00 179.01 179.51 3iqe h LEU 164 N 0.02 0.85 -0.85 1.33 5.85 -1.11 -1.45 115.31 119.97 3iqe h LEU 164 Ca 0.25 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3iqe h LEU 164 Cb 0.38 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3iqe h LEU 164 CO -0.51 0.78 0.04 0.40 -0.34 0.00 0.00 178.44 178.81 3iqe h ILE 165 N 0.91 1.25 -0.15 4.05 2.04 -0.66 -1.39 117.51 123.55 3iqe h ILE 165 Ca 0.21 -1.01 -0.14 0.00 1.00 0.00 0.00 64.86 64.92 3iqe h ILE 165 Cb 0.20 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3iqe h ILE 165 CO -0.02 0.36 -0.50 -0.33 0.00 0.00 0.00 178.15 177.67 3iqe h GLU 166 N 0.84 0.41 -0.77 2.37 4.39 -0.60 -2.28 114.58 118.95 3iqe h GLU 166 Ca 0.17 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3iqe h GLU 166 Cb 0.44 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 3iqe h GLU 166 CO 0.02 0.81 0.42 0.87 -1.16 0.00 0.00 179.01 179.97 3iqe h LYS 167 N 0.32 1.06 -0.01 2.33 1.79 -0.97 -2.31 116.57 118.79 3iqe h LYS 167 Ca 0.01 -0.12 -0.08 0.00 -2.18 0.00 0.00 60.65 58.28 3iqe h LYS 167 Cb 0.99 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 3iqe h LYS 167 CO 0.09 0.78 -0.39 0.00 -1.08 0.00 0.00 179.45 178.84 3iqe h ALA 168 N 1.39 1.33 0.00 3.86 0.00 -0.90 -2.40 119.26 122.54 3iqe h ALA 168 Ca 0.27 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iqe h ALA 168 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iqe h ALA 168 CO -0.04 0.50 0.00 0.87 0.00 0.00 0.00 179.25 180.58 3iqe h LYS 169 N 0.02 0.00 -0.84 0.00 1.57 -0.86 0.18 116.57 116.64 3iqe h LYS 169 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3iqe h LYS 169 Cb 0.71 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.91 3iqe h LYS 169 CO 0.05 0.00 0.23 0.39 -0.57 0.00 0.00 179.45 179.55 3iqe n GLU 170 N -2.32 2.92 -1.02 3.15 -0.58 -0.92 -4.86 120.64 117.02 3iqe n GLU 170 Ca 0.05 -2.25 -0.01 0.00 -0.42 0.00 0.00 57.16 54.53 3iqe n GLU 170 Cb 0.40 -1.96 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 3iqe n GLU 170 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3iqe n ASP 171 N -0.10 -0.10 -2.78 1.62 4.64 0.62 -4.90 116.55 115.55 3iqe n ASP 171 Ca 0.31 -0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.72 3iqe n ASP 171 Cb 1.14 -0.03 0.01 0.00 -1.04 0.00 0.00 41.12 41.21 3iqe n ASP 171 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3iqe s GLU 172 N -0.04 0.33 -0.95 -0.67 2.02 -1.14 -5.03 118.70 113.22 3iqe s GLU 172 Ca 0.01 -0.21 -0.21 0.00 0.02 0.00 0.00 54.97 54.57 3iqe s GLU 172 Cb -0.00 0.01 0.09 0.00 0.10 0.00 0.00 34.13 34.33 3iqe s GLU 172 CO 0.02 -0.44 1.27 0.42 0.02 0.00 0.00 175.26 176.55 3iqe s ILE 173 N 1.53 4.29 0.69 -1.63 1.01 -1.26 -4.77 121.20 121.05 3iqe s ILE 173 Ca 0.19 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 3iqe s ILE 173 Cb 0.05 -4.91 0.08 0.00 0.01 0.00 0.00 42.46 37.69 3iqe s ILE 173 CO -0.12 -1.72 0.97 -0.94 0.00 0.00 0.00 174.94 173.14 3iqe s SER 174 N 4.26 4.73 0.40 3.58 1.04 -1.26 -4.84 113.70 121.61 3iqe s SER 174 Ca 0.38 0.19 0.14 0.00 0.48 0.00 0.00 55.95 57.15 3iqe s SER 174 Cb -0.03 -0.81 0.83 0.00 0.10 0.00 0.00 66.02 66.11 3iqe s SER 174 CO -0.07 -1.61 1.87 -0.08 0.98 0.00 0.00 173.24 174.33 3iqe h GLU 175 N -0.50 0.00 0.00 4.02 4.57 -1.94 -0.70 114.58 120.04 3iqe h GLU 175 Ca -0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3iqe h GLU 175 Cb 1.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3iqe h GLU 175 CO 0.53 0.32 0.00 0.09 -1.18 0.00 0.00 179.01 178.77 3iqe n ASN 176 N -4.08 0.00 0.13 1.04 3.02 -1.26 -2.32 115.26 111.79 3iqe n ASN 176 Ca -0.02 0.12 0.12 0.00 -0.03 0.00 0.00 54.58 54.78 3iqe n ASN 176 Cb 0.37 -0.37 0.24 0.00 -0.61 0.00 0.00 39.78 39.41 3iqe n ASN 176 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3iqe h ASP 177 N 0.00 0.00 -3.25 6.41 3.45 -1.49 -3.47 116.42 118.07 3iqe h ASP 177 Ca 0.00 -0.04 -0.53 0.00 0.43 0.00 0.00 57.03 56.89 3iqe h ASP 177 Cb 0.36 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.15 3iqe h ASP 177 CO 0.00 0.02 0.62 -0.76 -1.57 0.00 0.00 179.24 177.55 3iqe s LEU 178 N -5.07 4.40 0.51 1.55 1.43 -0.98 -4.82 118.68 115.69 3iqe s LEU 178 Ca 0.07 2.23 -0.23 0.00 -1.03 0.00 0.00 54.13 55.18 3iqe s LEU 178 Cb 0.10 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.66 3iqe s LEU 178 CO 0.67 -0.51 1.26 -0.81 0.23 0.00 0.00 176.35 177.19 3iqe n PRO 179 N 3.32 1.65 -3.20 1.29 -0.04 -1.26 -4.85 135.00 131.91 3iqe n PRO 179 Ca 0.08 0.60 -0.23 0.00 -0.04 0.00 0.00 63.50 63.91 3iqe n PRO 179 Cb 0.44 -2.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.39 3iqe n PRO 179 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3iqe n LYS 180 N -0.63 0.85 -4.39 0.54 5.02 -1.23 -0.87 118.16 117.45 3iqe n LYS 180 Ca 0.10 -3.32 -0.35 0.00 -2.02 0.00 0.00 58.31 52.72 3iqe n LYS 180 Cb 0.43 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 3iqe n LYS 180 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iqe s LEU 181 N -1.43 3.54 -0.21 -0.35 1.43 -0.22 -4.98 118.68 116.46 3iqe s LEU 181 Ca 0.36 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 3iqe s LEU 181 Cb 0.19 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.65 3iqe s LEU 181 CO -0.10 0.36 -0.10 -0.69 0.23 0.00 0.00 176.35 176.05 3iqe s VAL 182 N -0.77 1.70 -0.16 -1.59 1.01 -1.26 -0.89 120.40 118.44 3iqe s VAL 182 Ca 0.12 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 3iqe s VAL 182 Cb -0.11 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3iqe s VAL 182 CO 0.02 0.13 0.03 -0.63 0.00 0.00 0.00 175.10 174.66 3iqe s ILE 183 N 1.36 4.55 0.00 2.22 1.01 0.80 -4.93 121.20 126.21 3iqe s ILE 183 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3iqe s ILE 183 Cb -0.17 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.28 3iqe s ILE 183 CO -0.08 0.49 0.00 -0.90 0.00 0.00 0.00 174.94 174.45 3iqe n ASP 184 N 3.32 0.00 -0.29 3.58 5.68 -1.26 -0.78 116.55 126.80 3iqe n ASP 184 Ca -0.17 -0.61 0.07 0.00 -0.50 0.00 0.00 54.79 53.57 3iqe n ASP 184 Cb 0.53 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.72 3iqe n ASP 184 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3iqe h ARG 185 N 0.00 0.57 0.00 0.11 2.43 -1.89 -1.51 114.38 114.09 3iqe h ARG 185 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3iqe h ARG 185 Cb 0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3iqe h ARG 185 CO 0.00 0.38 0.00 0.09 -1.51 0.00 0.00 179.97 178.93 3iqe n ASN 186 N -4.90 0.34 -0.12 -3.80 3.02 -1.26 -2.32 115.26 106.22 3iqe n ASN 186 Ca 0.16 0.56 0.12 0.00 -0.03 0.00 0.00 54.58 55.40 3iqe n ASN 186 Cb 0.43 -0.64 0.49 0.00 -0.61 0.00 0.00 39.78 39.45 3iqe n ASN 186 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3iqe h THR 187 N 0.00 0.88 0.00 3.41 2.02 -1.63 -0.14 112.91 117.45 3iqe h THR 187 Ca 0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3iqe h THR 187 Cb 0.44 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3iqe h THR 187 CO 0.00 0.08 -0.04 -0.07 0.37 0.00 0.00 175.52 175.86 3iqe h LEU 188 N 0.44 0.00 -1.21 2.58 3.38 -1.62 -2.34 115.31 116.54 3iqe h LEU 188 Ca 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 3iqe h LEU 188 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3iqe h LEU 188 CO -0.09 0.04 -0.20 -0.07 0.09 0.00 0.00 178.44 178.21 3iqe h LEU 189 N 0.00 0.00 -2.84 1.67 3.38 -1.21 -2.95 115.31 113.36 3iqe h LEU 189 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqe h LEU 189 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3iqe h LEU 189 CO 0.01 0.20 0.00 -1.84 0.09 0.00 0.00 178.44 176.89 3iqe n GLU 190 N -3.38 2.88 -4.28 1.13 0.28 -0.88 -4.96 120.64 111.44 3iqe n GLU 190 Ca 0.00 -2.52 -0.24 0.00 -0.16 0.00 0.00 57.16 54.24 3iqe n GLU 190 Cb 0.40 -1.52 -0.08 0.00 1.43 0.00 0.00 31.44 31.67 3iqe n GLU 190 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3iqe s ARG 191 N -1.13 2.28 -0.46 3.44 1.81 -1.12 -5.04 118.95 118.74 3iqe s ARG 191 Ca 0.42 -1.34 0.03 0.00 -1.72 0.00 0.00 55.73 53.12 3iqe s ARG 191 Cb 0.23 -2.19 0.45 0.00 -0.45 0.00 0.00 34.95 32.98 3iqe s ARG 191 CO 0.27 0.39 1.53 0.39 -0.68 0.00 0.00 175.30 177.20 3iqe n GLU 192 N -0.63 3.23 0.03 3.54 1.02 -1.26 -4.82 120.64 121.75 3iqe n GLU 192 Ca -0.08 -3.84 -0.12 0.00 -0.02 0.00 0.00 57.16 53.10 3iqe n GLU 192 Cb 0.58 -2.28 -0.08 0.00 -0.02 0.00 0.00 31.44 29.64 3iqe n GLU 192 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3iqe h GLU 193 N 2.17 -0.01 -5.74 3.49 4.57 -1.96 -3.44 114.58 113.65 3iqe h GLU 193 Ca 0.46 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.98 3iqe h GLU 193 Cb 1.17 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.62 3iqe h GLU 193 CO 1.10 0.09 -0.59 -0.06 -1.18 0.00 0.00 179.01 178.37 3iqe s PHE 194 N -5.81 3.24 0.07 0.92 0.08 -1.26 -4.62 117.98 110.60 3iqe s PHE 194 Ca -0.14 0.20 0.05 0.00 0.12 0.00 0.00 56.93 57.16 3iqe s PHE 194 Cb 0.05 -1.88 -0.23 0.00 -0.57 0.00 0.00 43.02 40.39 3iqe s PHE 194 CO 0.66 0.43 1.08 1.49 -0.10 0.00 0.00 175.22 178.78 3iqe h GLU 195 N 5.51 0.07 -5.38 0.44 4.81 -1.87 -3.44 114.58 114.73 3iqe h GLU 195 Ca -0.48 -0.12 -0.60 0.00 -0.13 0.00 0.00 59.36 58.04 3iqe h GLU 195 Cb 1.19 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.51 3iqe h GLU 195 CO 0.58 0.95 -0.39 1.21 -0.73 0.00 0.00 179.01 180.64 3iqe s ASN 196 N -6.69 6.33 0.45 1.04 2.47 -1.26 -4.98 114.94 112.30 3iqe s ASN 196 Ca -0.02 0.38 0.23 0.00 0.42 0.00 0.00 52.86 53.87 3iqe s ASN 196 Cb 0.09 -2.15 1.07 0.00 -1.45 0.00 0.00 41.25 38.81 3iqe s ASN 196 CO 0.83 0.11 1.91 1.55 -3.72 0.00 0.00 177.10 177.78 3iqe h PRO 197 N 6.80 0.00 -0.04 0.43 0.13 -2.01 -2.50 132.00 134.81 3iqe h PRO 197 Ca -0.40 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.53 3iqe h PRO 197 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3iqe h PRO 197 CO 0.75 0.23 -0.82 1.88 -0.23 0.00 0.00 178.00 179.81 3iqe h TYR 198 N 0.00 0.53 -0.45 1.56 0.05 -1.98 -2.40 116.97 114.28 3iqe h TYR 198 Ca -0.00 -0.26 0.04 0.00 0.05 0.00 0.00 58.73 58.55 3iqe h TYR 198 Cb 0.59 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.22 3iqe h TYR 198 CO 0.00 1.04 0.23 0.00 -1.05 0.00 0.00 178.16 178.38 3iqe h ALA 199 N 0.88 0.56 -0.50 3.88 0.00 -1.75 -0.89 119.26 121.45 3iqe h ALA 199 Ca -0.05 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3iqe h ALA 199 Cb 1.42 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 3iqe h ALA 199 CO 0.14 -0.12 0.12 1.98 0.00 0.00 0.00 179.25 181.37 3iqe h MET 200 N 0.46 0.26 0.00 0.00 1.85 -1.36 0.46 114.93 116.60 3iqe h MET 200 Ca 0.19 -0.02 -0.14 0.00 -0.61 0.00 0.00 59.70 59.12 3iqe h MET 200 Cb 0.09 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 3iqe h MET 200 CO -0.13 0.17 -0.69 -0.39 -0.40 0.00 0.00 176.91 175.47 3iqe h VAL 201 N 0.27 1.40 -0.20 -5.77 -1.51 -1.23 -0.28 116.25 108.94 3iqe h VAL 201 Ca 0.25 -2.43 -0.03 0.00 -1.23 0.00 0.00 66.70 63.26 3iqe h VAL 201 Cb 0.31 2.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 3iqe h VAL 201 CO -0.30 0.67 0.01 0.11 -1.23 0.00 0.00 177.57 176.83 3iqe h LYS 202 N 0.00 0.35 -0.72 5.19 1.57 -0.99 -1.42 116.57 120.55 3iqe h LYS 202 Ca -0.01 -0.11 0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3iqe h LYS 202 Cb 1.29 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.49 3iqe h LYS 202 CO 0.09 0.54 0.37 0.00 -0.57 0.00 0.00 179.45 179.87 3iqe h ALA 203 N 0.80 1.00 -0.78 3.86 0.00 -0.73 0.38 119.26 123.78 3iqe h ALA 203 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3iqe h ALA 203 Cb 0.37 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3iqe h ALA 203 CO 0.01 -0.03 0.46 0.52 0.00 0.00 0.00 179.25 180.21 3iqe h MET 204 N 0.62 1.07 -0.66 0.00 2.86 -0.86 -0.79 114.93 117.18 3iqe h MET 204 Ca 0.35 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 3iqe h MET 204 Cb 0.36 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3iqe h MET 204 CO -0.26 0.77 0.27 0.00 1.06 0.00 0.00 176.91 178.74 3iqe h ALA 205 N 1.24 0.86 -0.63 6.32 0.00 -0.86 0.15 119.26 126.34 3iqe h ALA 205 Ca 0.28 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3iqe h ALA 205 Cb -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3iqe h ALA 205 CO -0.05 0.47 0.39 0.00 0.00 0.00 0.00 179.25 180.07 3iqe h ALA 206 N 1.12 0.81 -0.26 0.00 0.00 -0.43 -1.46 119.26 119.03 3iqe h ALA 206 Ca 0.22 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3iqe h ALA 206 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3iqe h ALA 206 CO -0.02 0.16 -0.25 -0.07 0.00 0.00 0.00 179.25 179.06 3iqe h LEU 207 N 0.78 0.51 -0.10 0.00 3.38 -0.64 -0.52 115.31 118.72 3iqe h LEU 207 Ca 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3iqe h LEU 207 Cb -0.01 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3iqe h LEU 207 CO -0.09 0.76 0.01 -0.08 0.09 0.00 0.00 178.44 179.13 3iqe h GLU 208 N 0.44 0.16 -0.31 1.13 4.57 -0.41 -0.83 114.58 119.34 3iqe h GLU 208 Ca 0.06 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3iqe h GLU 208 Cb 0.68 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 3iqe h GLU 208 CO 0.05 0.39 0.20 0.82 -1.18 0.00 0.00 179.01 179.29 3iqe h ILE 209 N -0.08 1.08 -0.78 2.32 2.04 -1.11 -0.92 117.51 120.06 3iqe h ILE 209 Ca 0.03 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.82 3iqe h ILE 209 Cb 0.31 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 3iqe h ILE 209 CO 0.00 0.08 0.44 0.00 0.00 0.00 0.00 178.15 178.67 3iqe h ALA 210 N 1.11 1.09 -0.33 1.87 0.00 -1.02 -1.48 119.26 120.49 3iqe h ALA 210 Ca 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3iqe h ALA 210 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3iqe h ALA 210 CO -0.02 0.08 0.13 1.49 0.00 0.00 0.00 179.25 180.92 3iqe h GLU 211 N 0.75 0.50 0.00 0.00 4.81 -0.75 -2.53 114.58 117.36 3iqe h GLU 211 Ca 0.37 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3iqe h GLU 211 Cb 0.32 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3iqe h GLU 211 CO -0.23 0.51 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.60 3iqe h ASN 212 N 0.38 0.00 -0.57 1.04 2.35 -0.73 -2.05 115.58 116.01 3iqe h ASN 212 Ca 0.11 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.91 3iqe h ASN 212 Cb 0.20 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3iqe h ASN 212 CO -0.01 0.04 0.38 0.58 -1.65 0.00 0.00 177.43 176.77 3iqe h VAL 213 N 0.00 1.03 -0.53 2.81 2.07 -0.82 -2.61 116.25 118.20 3iqe h VAL 213 Ca -0.00 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3iqe h VAL 213 Cb 0.19 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3iqe h VAL 213 CO 0.01 0.11 0.30 0.00 0.02 0.00 0.00 177.57 178.00 3iqe h ALA 214 N 1.68 0.68 -0.68 1.67 0.00 -1.45 -0.56 119.26 120.60 3iqe h ALA 214 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3iqe h ALA 214 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3iqe h ALA 214 CO -0.07 -0.02 0.31 -0.44 0.00 0.00 0.00 179.25 179.04 3iqe h ASP 215 N 0.58 0.90 -0.32 0.00 3.45 -1.62 -0.14 116.42 119.27 3iqe h ASP 215 Ca 0.22 -0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 3iqe h ASP 215 Cb 0.08 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 3iqe h ASP 215 CO -0.13 0.80 0.08 0.58 -1.57 0.00 0.00 179.24 179.00 3iqe h VAL 216 N 0.95 1.22 -0.33 -1.35 2.07 -1.25 -1.96 116.25 115.60 3iqe h VAL 216 Ca 0.23 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 67.08 3iqe h VAL 216 Cb 0.14 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3iqe h VAL 216 CO -0.03 0.25 -0.09 0.28 0.02 0.00 0.00 177.57 178.01 3iqe h SER 217 N 0.36 -0.32 -0.66 0.57 0.02 -0.86 -0.74 113.55 111.92 3iqe h SER 217 Ca 0.10 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3iqe h SER 217 Cb 0.30 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3iqe h SER 217 CO 0.00 -0.11 0.43 0.58 -1.14 0.00 0.00 176.83 176.59 3iqe h VAL 218 N -0.00 1.16 -0.50 2.27 2.07 -0.85 0.11 116.25 120.50 3iqe h VAL 218 Ca 0.16 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3iqe h VAL 218 Cb 0.25 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3iqe h VAL 218 CO -0.35 0.16 0.28 -0.08 0.02 0.00 0.00 177.57 177.61 3iqe h GLU 219 N 0.88 0.69 0.00 1.57 4.81 -1.00 0.83 114.58 122.36 3iqe h GLU 219 Ca 0.25 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.25 3iqe h GLU 219 Cb -0.08 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3iqe h GLU 219 CO -0.06 0.53 -0.71 0.78 -0.73 0.00 0.00 179.01 178.82 3iqe h GLY 220 N 0.67 0.00 0.76 1.92 0.00 -0.57 0.19 103.07 106.04 3iqe h GLY 220 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.17 3iqe h GLY 220 CO -0.03 0.00 -1.88 0.00 0.00 0.00 0.00 176.54 174.63 3iqe n PHE 222 N -3.32 0.00 -0.01 0.00 3.72 0.29 -4.83 117.46 113.31 3iqe n PHE 222 Ca -0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.13 3iqe n PHE 222 Cb 1.05 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.59 3iqe n PHE 222 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3iqe n VAL 223 N -0.61 0.06 -2.84 -4.37 0.31 -0.74 -4.99 118.33 105.16 3iqe n VAL 223 Ca 0.01 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.91 3iqe n VAL 223 Cb 0.05 -1.09 -0.04 0.00 -0.91 0.00 0.00 33.84 31.85 3iqe n VAL 223 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3iqe s GLU 224 N -2.02 4.55 -0.01 5.55 2.56 0.60 -4.93 118.70 124.99 3iqe s GLU 224 Ca -0.02 1.25 0.14 0.00 0.00 0.00 0.00 54.97 56.34 3iqe s GLU 224 Cb 0.01 -3.42 -0.20 0.00 2.00 0.00 0.00 34.13 32.52 3iqe s GLU 224 CO 0.02 0.10 0.37 1.04 -0.56 0.00 0.00 175.26 176.24 3iqe n GLN 225 N 3.40 0.94 -2.89 4.30 1.13 -1.26 -4.79 117.38 118.22 3iqe n GLN 225 Ca 0.02 -0.10 -0.42 0.00 -1.94 0.00 0.00 57.00 54.56 3iqe n GLN 225 Cb 0.50 -1.28 -0.04 0.00 0.11 0.00 0.00 30.24 29.53 3iqe n GLN 225 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3iqe s ASP 226 N -3.28 6.72 0.50 1.08 3.68 -1.26 -4.96 116.67 119.15 3iqe s ASP 226 Ca -0.03 0.75 0.25 0.00 2.13 0.00 0.00 52.55 55.66 3iqe s ASP 226 Cb 0.09 -2.43 1.32 0.00 -1.45 0.00 0.00 42.92 40.45 3iqe s ASP 226 CO 0.57 -0.66 2.03 0.07 0.13 0.00 0.00 175.17 177.32 3iqe h LYS 227 N 8.08 0.00 0.00 4.34 2.10 -1.98 0.15 116.57 129.26 3iqe h LYS 227 Ca -0.23 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.41 3iqe h LYS 227 Cb 1.09 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3iqe h LYS 227 CO 0.91 0.15 -0.03 0.93 -2.00 0.00 0.00 179.45 179.41 3iqe h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.02 -2.67 114.58 115.04 3iqe h GLU 228 Ca -0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 3iqe h GLU 228 Cb 0.38 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 3iqe h GLU 228 CO 0.02 0.03 -2.44 0.54 -1.00 0.00 0.00 179.01 176.16 3iqe n ARG 229 N -3.48 0.57 0.21 2.33 1.74 0.26 -4.60 116.66 113.68 3iqe n ARG 229 Ca -0.02 0.21 0.08 0.00 -0.77 0.00 0.00 57.85 57.34 3iqe n ARG 229 Cb 0.13 -1.45 0.42 0.00 -1.02 0.00 0.00 32.46 30.54 3iqe n ARG 229 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3iqe h TYR 230 N -0.62 0.00 0.34 -1.55 -0.00 -0.83 -2.52 116.97 111.80 3iqe h TYR 230 Ca -0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.09 3iqe h TYR 230 Cb 1.67 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.41 3iqe h TYR 230 CO -0.05 0.30 -0.16 0.28 -0.00 0.00 0.00 178.16 178.53 3iqe h VAL 231 N 0.00 0.65 -0.99 -0.90 2.07 -1.73 -0.64 116.25 114.71 3iqe h VAL 231 Ca -0.00 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.14 3iqe h VAL 231 Cb 0.77 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 3iqe h VAL 231 CO 0.04 0.09 0.62 -0.65 0.02 0.00 0.00 177.57 177.70 3iqe h PRO 232 N -0.75 0.97 0.06 1.57 0.11 -1.80 -1.25 132.00 130.90 3iqe h PRO 232 Ca -0.05 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3iqe h PRO 232 Cb 0.50 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3iqe h PRO 232 CO 0.08 0.64 -0.03 0.82 -0.21 0.00 0.00 178.00 179.30 3iqe h ILE 233 N 1.00 1.00 -0.58 4.15 2.04 -1.34 0.36 117.51 124.14 3iqe h ILE 233 Ca 0.49 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 66.09 3iqe h ILE 233 Cb 0.46 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3iqe h ILE 233 CO -0.26 0.05 0.07 -0.37 0.00 0.00 0.00 178.15 177.64 3iqe h VAL 234 N -0.16 1.25 -0.17 1.67 -1.51 -0.87 -1.55 116.25 114.91 3iqe h VAL 234 Ca -0.01 -0.99 -0.08 0.00 -1.23 0.00 0.00 66.70 64.39 3iqe h VAL 234 Cb 0.13 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.01 3iqe h VAL 234 CO 0.01 0.36 -0.27 0.00 -1.23 0.00 0.00 177.57 176.45 3iqe h ALA 235 N 1.19 1.23 -0.21 5.19 0.00 -0.91 -2.18 119.26 123.56 3iqe h ALA 235 Ca 0.18 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3iqe h ALA 235 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iqe h ALA 235 CO 0.01 0.51 -0.19 0.66 0.00 0.00 0.00 179.25 180.24 3iqe h SER 236 N 0.28 0.36 -0.94 0.00 4.64 0.72 -1.92 113.55 116.70 3iqe h SER 236 Ca 0.04 -0.10 0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3iqe h SER 236 Cb 0.63 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.56 3iqe h SER 236 CO 0.05 0.57 0.61 0.00 -0.87 0.00 0.00 176.83 177.19 3iqe h ALA 237 N 1.47 1.46 -0.40 5.18 0.00 -0.92 -2.14 119.26 123.91 3iqe h ALA 237 Ca 0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3iqe h ALA 237 Cb 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3iqe h ALA 237 CO 0.04 0.40 -0.30 0.45 0.00 0.00 0.00 179.25 179.84 3iqe h HIS 238 N 1.09 1.07 -0.40 0.00 3.86 -1.22 -1.89 115.15 117.67 3iqe h HIS 238 Ca 0.40 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3iqe h HIS 238 Cb 0.16 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 3iqe h HIS 238 CO -0.00 1.11 0.25 0.93 0.86 0.00 0.00 177.93 181.08 3iqe h GLU 239 N 0.73 0.54 -0.56 2.45 4.39 -1.11 -0.90 114.58 120.11 3iqe h GLU 239 Ca 0.08 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 3iqe h GLU 239 Cb 0.88 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 3iqe h GLU 239 CO 0.08 0.38 -0.09 0.52 -1.16 0.00 0.00 179.01 178.73 3iqe h MET 240 N 0.55 1.05 -0.50 2.33 2.86 -1.02 -2.28 114.93 117.93 3iqe h MET 240 Ca 0.15 -0.38 -0.11 0.00 -2.06 0.00 0.00 59.70 57.30 3iqe h MET 240 Cb -0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3iqe h MET 240 CO -0.03 1.08 -0.10 1.98 1.06 0.00 0.00 176.91 180.90 3iqe h MET 241 N 0.94 0.95 -0.83 1.72 1.85 -0.43 -0.98 114.93 118.15 3iqe h MET 241 Ca 0.15 -0.35 0.05 0.00 -0.61 0.00 0.00 59.70 58.94 3iqe h MET 241 Cb 0.67 -0.06 -0.06 0.00 0.43 0.00 0.00 31.60 32.58 3iqe h MET 241 CO 0.05 1.02 0.52 -0.09 -0.40 0.00 0.00 176.91 178.00 3iqe h ARG 242 N 0.81 0.93 -0.25 0.39 2.43 -1.12 0.16 114.38 117.74 3iqe h ARG 242 Ca 0.13 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 3iqe h ARG 242 Cb 0.66 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3iqe h ARG 242 CO 0.05 0.62 -0.38 0.87 -1.51 0.00 0.00 179.97 179.61 3iqe h LYS 243 N 0.96 0.56 -1.00 0.20 1.79 -0.88 -1.97 116.57 116.24 3iqe h LYS 243 Ca 0.36 -0.27 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 3iqe h LYS 243 Cb 0.13 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.72 3iqe h LYS 243 CO -0.16 0.85 0.65 0.00 -1.08 0.00 0.00 179.45 179.72 3iqe h ALA 244 N 1.12 1.36 -0.28 3.86 0.00 -0.20 -1.24 119.26 123.88 3iqe h ALA 244 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3iqe h ALA 244 Cb 0.87 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3iqe h ALA 244 CO 0.07 0.53 -0.28 0.00 0.00 0.00 0.00 179.25 179.57 3iqe h ALA 245 N 1.43 0.98 -0.30 0.00 0.00 -0.35 -1.73 119.26 119.29 3iqe h ALA 245 Ca 0.40 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3iqe h ALA 245 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3iqe h ALA 245 CO -0.13 0.60 -0.23 0.93 0.00 0.00 0.00 179.25 180.41 3iqe h GLU 246 N 0.50 0.57 -0.17 0.00 5.08 -0.74 -1.52 114.58 118.31 3iqe h GLU 246 Ca 0.07 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.06 3iqe h GLU 246 Cb 0.74 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3iqe h GLU 246 CO 0.06 0.76 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.24 3iqe h LEU 247 N 0.51 0.52 -0.42 1.33 3.38 -0.57 -1.45 115.31 118.60 3iqe h LEU 247 Ca 0.08 -0.27 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 3iqe h LEU 247 Cb 0.67 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3iqe h LEU 247 CO 0.05 0.95 -0.76 0.00 0.09 0.00 0.00 178.44 178.76 3iqe h ALA 248 N 1.07 0.64 -0.63 1.53 0.00 -1.08 -1.21 119.26 119.58 3iqe h ALA 248 Ca 0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 3iqe h ALA 248 Cb 1.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3iqe h ALA 248 CO 0.09 0.82 0.22 0.22 0.00 0.00 0.00 179.25 180.60 3iqe h ASP 249 N 0.16 0.89 -0.16 0.00 3.58 -1.06 -2.27 116.42 117.57 3iqe h ASP 249 Ca -0.03 -0.19 -0.11 0.00 0.42 0.00 0.00 57.03 57.12 3iqe h ASP 249 Cb 1.34 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 3iqe h ASP 249 CO 0.12 0.85 -0.26 -0.08 -2.88 0.00 0.00 179.24 176.99 3iqe h GLU 250 N 0.89 0.63 -0.85 0.28 4.81 -0.86 -0.83 114.58 118.64 3iqe h GLU 250 Ca 0.20 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3iqe h GLU 250 Cb 0.26 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3iqe h GLU 250 CO -0.01 0.83 0.48 0.00 -0.73 0.00 0.00 179.01 179.58 3iqe h ALA 251 N 1.17 1.25 -0.15 2.92 0.00 -1.01 -2.16 119.26 121.28 3iqe h ALA 251 Ca 0.07 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3iqe h ALA 251 Cb 0.73 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3iqe h ALA 251 CO 0.06 0.62 -0.62 -0.09 0.00 0.00 0.00 179.25 179.22 3iqe h ARG 252 N 1.18 0.68 -0.75 0.00 2.43 -0.78 -2.72 114.38 114.42 3iqe h ARG 252 Ca 0.30 -0.53 0.13 0.00 -0.81 0.00 0.00 59.98 59.07 3iqe h ARG 252 Cb -0.00 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3iqe h ARG 252 CO -0.05 1.15 0.50 0.93 -1.51 0.00 0.00 179.97 180.99 3iqe h GLU 253 N 0.36 0.47 -0.77 0.20 4.39 -1.07 -0.91 114.58 117.25 3iqe h GLU 253 Ca -0.04 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 3iqe h GLU 253 Cb 1.25 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 3iqe h GLU 253 CO 0.13 0.31 0.34 -0.07 -1.16 0.00 0.00 179.01 178.56 3iqe h LEU 254 N 0.49 1.04 -0.62 1.33 3.38 -1.10 0.31 115.31 120.14 3iqe h LEU 254 Ca 0.37 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3iqe h LEU 254 Cb 0.74 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3iqe h LEU 254 CO -0.13 0.91 0.04 -0.33 0.09 0.00 0.00 178.44 179.02 3iqe h GLU 255 N 1.11 1.07 -0.75 1.13 4.39 -1.01 -2.47 114.58 118.04 3iqe h GLU 255 Ca 0.26 -0.32 0.04 0.00 0.34 0.00 0.00 59.36 59.68 3iqe h GLU 255 Cb 0.17 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 3iqe h GLU 255 CO -0.03 1.02 0.47 0.87 -1.16 0.00 0.00 179.01 180.19 3iqe h LYS 256 N 0.97 0.87 0.00 2.33 1.57 -0.90 -1.28 116.57 120.14 3iqe h LYS 256 Ca 0.18 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3iqe h LYS 256 Cb 0.52 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3iqe h LYS 256 CO 0.02 0.58 -0.02 0.66 -0.57 0.00 0.00 179.45 180.13 3iqe h SER 257 N 0.90 0.00 -0.51 0.86 4.64 -0.46 -1.55 113.55 117.43 3iqe h SER 257 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3iqe h SER 257 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3iqe h SER 257 CO -0.13 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.44 3iqe n ASN 258 N -3.66 3.41 -3.80 4.97 4.13 -0.59 -4.97 115.26 114.76 3iqe n ASN 258 Ca -0.03 -1.97 -0.29 0.00 1.68 0.00 0.00 54.58 53.97 3iqe n ASN 258 Cb 0.10 -0.34 0.02 0.00 -1.54 0.00 0.00 39.78 38.02 3iqe n ASN 258 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3iqe n ASP 259 N 1.15 -3.11 -0.51 6.41 2.03 -0.58 -4.88 116.55 117.07 3iqe n ASP 259 Ca 0.18 -1.01 0.01 0.00 0.52 0.00 0.00 54.79 54.49 3iqe n ASP 259 Cb 0.53 -3.24 0.01 0.00 -0.72 0.00 0.00 41.12 37.71 3iqe n ASP 259 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iqe n ALA 260 N -4.31 2.04 -2.00 -1.67 0.00 -0.60 -4.18 120.51 109.80 3iqe n ALA 260 Ca -0.19 -1.20 -0.43 0.00 0.00 0.00 0.00 53.44 51.62 3iqe n ALA 260 Cb 0.63 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 3iqe n ALA 260 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iqe s VAL 261 N -0.25 3.50 0.19 0.00 1.01 -1.18 -4.60 120.40 119.07 3iqe s VAL 261 Ca 0.04 0.54 -0.31 0.00 0.00 0.00 0.00 61.98 62.26 3iqe s VAL 261 Cb 0.04 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 3iqe s VAL 261 CO -0.01 -0.31 1.51 -0.22 0.00 0.00 0.00 175.10 176.08 3iqe s LEU 262 N 6.18 4.37 -0.03 3.92 2.96 -1.26 -4.29 118.68 130.53 3iqe s LEU 262 Ca 0.79 2.61 0.02 0.00 -0.22 0.00 0.00 54.13 57.32 3iqe s LEU 262 Cb -0.25 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.85 3iqe s LEU 262 CO 0.32 -0.77 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.39 3iqe s ARG 263 N 0.65 0.82 -0.48 1.98 0.52 -0.48 -5.01 118.95 116.94 3iqe s ARG 263 Ca 0.66 -0.19 0.08 0.00 -0.52 0.00 0.00 55.73 55.76 3iqe s ARG 263 Cb -0.43 -0.79 0.27 0.00 0.52 0.00 0.00 34.95 34.52 3iqe s ARG 263 CO 0.35 0.01 0.66 0.25 0.02 0.00 0.00 175.30 176.60 3iqe n THR 264 N 3.62 0.68 -1.94 0.02 -2.24 -1.26 -1.44 114.28 111.72 3iqe n THR 264 Ca -0.21 -4.62 -0.32 0.00 -2.27 0.00 0.00 64.05 56.62 3iqe n THR 264 Cb 0.53 -1.68 0.02 0.00 -2.10 0.00 0.00 70.33 67.10 3iqe n THR 264 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iqe s PRO 265 N -2.00 3.21 0.23 -0.78 0.04 -1.24 -4.61 135.00 129.85 3iqe s PRO 265 Ca 0.39 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.37 3iqe s PRO 265 Cb 0.20 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 3iqe s PRO 265 CO -0.08 -0.90 0.81 -1.01 0.04 0.00 0.00 177.00 175.86 3iqe s HIS 266 N -2.54 3.78 0.71 0.56 3.76 -1.26 -0.11 115.29 120.19 3iqe s HIS 266 Ca 0.63 1.61 -0.08 0.00 -0.15 0.00 0.00 55.06 57.07 3iqe s HIS 266 Cb -0.16 -2.77 0.05 0.00 1.11 0.00 0.00 32.58 30.81 3iqe s HIS 266 CO 0.40 0.38 1.04 0.00 -0.85 0.00 0.00 174.74 175.72 3iqe s ALA 267 N -1.38 3.04 0.41 -1.40 0.00 -0.25 -4.92 121.76 117.26 3iqe s ALA 267 Ca 0.42 -0.78 0.22 0.00 0.00 0.00 0.00 51.96 51.82 3iqe s ALA 267 Cb -0.20 -2.72 1.21 0.00 0.00 0.00 0.00 23.12 21.41 3iqe s ALA 267 CO 0.24 -1.30 2.01 -1.35 0.00 0.00 0.00 175.76 175.37 3iqe h PRO 268 N -0.64 0.00 -0.20 0.00 0.11 -1.90 -1.48 132.00 127.88 3iqe h PRO 268 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iqe h PRO 268 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3iqe h PRO 268 CO 0.62 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 3iqe n ASP 269 N -3.87 1.44 0.00 -2.05 5.68 -1.26 -1.09 116.55 115.40 3iqe n ASP 269 Ca -0.02 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 3iqe n ASP 269 Cb 0.27 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3iqe n ASP 269 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iqe n GLY 270 N 1.02 2.94 3.68 6.12 0.00 -0.56 -4.77 105.19 113.63 3iqe n GLY 270 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 3iqe n GLY 270 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iqe n LYS 271 N -1.42 2.30 -2.67 1.61 4.81 -1.26 -4.65 118.16 116.88 3iqe n LYS 271 Ca 0.00 0.83 -0.43 0.00 -0.87 0.00 0.00 58.31 57.84 3iqe n LYS 271 Cb 0.00 -2.60 -0.02 0.00 0.02 0.00 0.00 35.03 32.42 3iqe n LYS 271 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3iqe s VAL 272 N 0.85 4.71 0.45 3.15 1.01 -1.26 -1.09 120.40 128.21 3iqe s VAL 272 Ca 0.77 2.03 0.08 0.00 0.00 0.00 0.00 61.98 64.85 3iqe s VAL 272 Cb -0.63 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 31.46 3iqe s VAL 272 CO 0.38 -0.11 0.61 -0.76 0.00 0.00 0.00 175.10 175.23 3iqe s LEU 273 N 2.73 3.56 0.02 3.92 1.43 0.84 -4.99 118.68 126.20 3iqe s LEU 273 Ca 0.46 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 3iqe s LEU 273 Cb -0.16 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 3iqe s LEU 273 CO 0.11 -0.87 0.06 -0.55 0.23 0.00 0.00 176.35 175.33 3iqe s SER 274 N -4.40 0.18 0.07 2.29 0.15 -1.26 -3.60 113.70 107.14 3iqe s SER 274 Ca 0.56 -0.47 -0.26 0.00 0.70 0.00 0.00 55.95 56.49 3iqe s SER 274 Cb -0.09 0.18 0.09 0.00 -1.71 0.00 0.00 66.02 64.48 3iqe s SER 274 CO 0.34 -0.41 0.74 -1.59 1.20 0.00 0.00 173.24 173.52 3iqe s LYS 275 N -2.00 1.06 0.00 5.44 -2.85 -0.52 -1.52 119.74 119.34 3iqe s LYS 275 Ca -0.10 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.51 3iqe s LYS 275 Cb -0.05 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 3iqe s LYS 275 CO -0.02 -0.46 0.00 0.54 0.10 0.00 0.00 175.35 175.51 3iqe n ARG 276 N -0.24 2.20 -2.80 1.78 1.74 -1.26 -1.38 116.66 116.70 3iqe n ARG 276 Ca -0.13 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.54 3iqe n ARG 276 Cb 0.63 -0.81 -0.05 0.00 -1.02 0.00 0.00 32.46 31.21 3iqe n ARG 276 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3iqe s LYS 277 N -1.63 4.65 0.20 5.56 -0.14 -1.26 -3.12 119.74 124.00 3iqe s LYS 277 Ca 0.00 1.35 -0.12 0.00 -1.36 0.00 0.00 55.97 55.84 3iqe s LYS 277 Cb 0.00 -3.37 0.26 0.00 -1.68 0.00 0.00 37.83 33.04 3iqe s LYS 277 CO 0.00 0.24 1.67 0.35 -0.76 0.00 0.00 175.35 176.85 3iqe h PHE 278 N 5.55 -0.02 -0.37 3.18 3.04 -1.91 -1.73 116.94 124.68 3iqe h PHE 278 Ca -0.43 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.56 3iqe h PHE 278 Cb 1.21 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.82 3iqe h PHE 278 CO 0.65 -0.14 0.00 -1.33 -2.02 0.00 0.00 178.31 175.47 3iqe n MET 279 N -5.25 2.01 -3.28 1.11 2.81 -1.26 -4.91 117.12 108.35 3iqe n MET 279 Ca 0.08 -1.40 -0.37 0.00 -1.81 0.00 0.00 57.70 54.20 3iqe n MET 279 Cb 0.32 -1.36 -0.06 0.00 -0.71 0.00 0.00 33.22 31.41 3iqe n MET 279 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3iqe s GLU 280 N -1.54 4.14 0.20 0.03 2.12 -0.65 -5.05 118.70 117.95 3iqe s GLU 280 Ca 0.26 0.68 -0.30 0.00 0.36 0.00 0.00 54.97 55.97 3iqe s GLU 280 Cb 0.14 -3.09 -0.08 0.00 0.26 0.00 0.00 34.13 31.36 3iqe s GLU 280 CO 0.16 0.55 1.19 -0.51 -0.54 0.00 0.00 175.26 176.11 3iqe s ASP 281 N -1.39 7.10 0.14 -1.70 1.11 -1.26 -4.91 116.67 115.75 3iqe s ASP 281 Ca 0.34 2.25 -0.31 0.00 0.18 0.00 0.00 52.55 55.01 3iqe s ASP 281 Cb -0.18 -2.61 -0.08 0.00 1.07 0.00 0.00 42.92 41.13 3iqe s ASP 281 CO 0.19 -0.35 1.29 -2.16 1.18 0.00 0.00 175.17 175.32 3iqe s PRO 282 N -0.41 4.40 0.00 8.23 0.04 -1.26 -4.85 135.00 141.14 3iqe s PRO 282 Ca 0.52 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3iqe s PRO 282 Cb -0.33 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 30.96 3iqe s PRO 282 CO 0.38 -0.28 0.00 0.39 0.04 0.00 0.00 177.00 177.53