#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 3.46 0.00 12.58 1.01 -1.26 -4.76 120.40 131.44 3iqe s VAL 3 Ca 0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 3iqe s VAL 3 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3iqe s VAL 3 CO 0.00 0.46 0.86 0.00 0.00 0.00 0.00 175.10 176.43 3iqe s ALA 4 N 0.91 3.25 0.05 5.51 0.00 -0.03 -4.94 121.76 126.51 3iqe s ALA 4 Ca -0.01 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.42 3iqe s ALA 4 Cb -0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3iqe s ALA 4 CO 0.01 -0.12 -0.22 0.15 0.00 0.00 0.00 175.76 175.57 3iqe s LYS 5 N 0.65 1.91 -0.02 0.00 1.02 -1.26 -1.42 119.74 120.61 3iqe s LYS 5 Ca 0.45 -1.06 -0.16 0.00 0.02 0.00 0.00 55.97 55.22 3iqe s LYS 5 Cb -0.20 -2.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.06 3iqe s LYS 5 CO 0.25 0.52 0.34 0.00 -0.92 0.00 0.00 175.35 175.54 3iqe s ALA 6 N -0.88 -0.87 -0.10 5.17 0.00 -0.76 -0.71 121.76 123.60 3iqe s ALA 6 Ca 0.13 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.57 3iqe s ALA 6 Cb -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3iqe s ALA 6 CO 0.04 -0.26 -0.21 0.42 0.00 0.00 0.00 175.76 175.74 3iqe s ILE 7 N -1.23 2.32 -0.12 0.00 1.01 -1.08 -1.98 121.20 120.12 3iqe s ILE 7 Ca -0.13 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.55 3iqe s ILE 7 Cb -0.05 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3iqe s ILE 7 CO 0.04 0.55 0.04 -0.36 0.00 0.00 0.00 174.94 175.22 3iqe s PHE 8 N 0.25 3.27 -0.12 3.97 0.40 -0.22 -0.45 117.98 125.08 3iqe s PHE 8 Ca -0.14 0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 3iqe s PHE 8 Cb -0.17 -1.90 -0.00 0.00 0.51 0.00 0.00 43.02 41.47 3iqe s PHE 8 CO 0.07 0.43 -0.21 0.42 0.70 0.00 0.00 175.22 176.63 3iqe s ILE 9 N -0.56 2.31 -0.26 0.64 1.01 0.91 -1.32 121.20 123.93 3iqe s ILE 9 Ca 0.10 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.86 3iqe s ILE 9 Cb -0.12 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.50 3iqe s ILE 9 CO 0.02 0.55 -0.06 -0.54 0.00 0.00 0.00 174.94 174.91 3iqe s LYS 10 N 0.51 1.87 -0.12 2.79 1.02 -0.26 -0.37 119.74 125.18 3iqe s LYS 10 Ca -0.13 -1.28 0.02 0.00 0.02 0.00 0.00 55.97 54.59 3iqe s LYS 10 Cb -0.17 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 3iqe s LYS 10 CO 0.05 -0.64 -0.17 0.00 -0.92 0.00 0.00 175.35 173.67 3iqe n GLY 12 N 4.26 -1.78 2.96 0.00 0.00 0.04 -4.08 105.19 106.59 3iqe n GLY 12 Ca -0.19 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 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 -4.77 0.80 0.07 1.61 2.47 -1.26 -4.71 114.94 109.15 3iqe s ASN 13 Ca 0.00 -0.12 0.05 0.00 0.42 0.00 0.00 52.86 53.21 3iqe s ASN 13 Cb 0.00 -0.18 -0.03 0.00 -1.45 0.00 0.00 41.25 39.60 3iqe s ASN 13 CO 0.00 0.04 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.54 3iqe s LEU 14 N 0.13 2.29 0.21 3.21 1.02 -1.26 -4.59 118.68 119.69 3iqe s LEU 14 Ca -0.01 -0.63 -0.12 0.00 0.02 0.00 0.00 54.13 53.38 3iqe s LEU 14 Cb -0.06 -0.44 0.27 0.00 0.02 0.00 0.00 46.19 45.99 3iqe s LEU 14 CO -0.00 -0.12 1.64 1.23 0.02 0.00 0.00 176.35 179.12 3iqe h GLY 15 N 4.22 0.55 1.20 -3.19 0.00 -1.93 -1.98 103.07 101.94 3iqe h GLY 15 Ca -0.40 0.16 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 3iqe h GLY 15 CO 0.42 -0.23 -0.17 -0.84 0.00 0.00 0.00 176.54 175.72 3iqe h THR 16 N 0.04 1.27 0.00 4.70 2.02 -1.96 -2.84 112.91 116.14 3iqe h THR 16 Ca 0.32 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 66.19 3iqe h THR 16 Cb 0.51 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3iqe h THR 16 CO -0.61 0.45 0.00 0.77 0.37 0.00 0.00 175.52 176.50 3iqe h SER 17 N 0.81 0.00 1.02 4.18 4.64 -1.83 -1.15 113.55 121.21 3iqe h SER 17 Ca 0.12 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 3iqe h SER 17 Cb 0.72 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 3iqe h SER 17 CO 0.05 0.00 -0.85 -0.03 -0.87 0.00 0.00 176.83 175.14 3iqe h MET 18 N 0.00 0.00 -0.00 4.77 -1.53 -1.12 -3.34 114.93 113.70 3iqe h MET 18 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3iqe h MET 18 Cb 0.56 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.61 3iqe h MET 18 CO 0.00 0.85 -0.29 -1.33 0.14 0.00 0.00 176.91 176.28 3iqe n MET 19 N -3.40 3.01 -0.07 0.39 2.81 -1.07 -4.78 117.12 114.01 3iqe n MET 19 Ca 0.00 -0.32 -0.08 0.00 -1.81 0.00 0.00 57.70 55.50 3iqe n MET 19 Cb 0.85 -0.99 -0.01 0.00 -0.71 0.00 0.00 33.22 32.35 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 0.57 0.14 -0.18 0.03 -0.00 -1.35 -0.42 114.93 113.72 3iqe h MET 20 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 3iqe h MET 20 Cb 0.27 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.82 3iqe h MET 20 CO 0.00 0.09 -0.35 0.38 -0.00 0.00 0.00 176.91 177.03 3iqe h ASP 21 N 0.14 0.39 0.81 -0.10 2.03 -1.86 -3.02 116.42 114.80 3iqe h ASP 21 Ca 0.12 -0.15 -0.10 0.00 -0.73 0.00 0.00 57.03 56.17 3iqe h ASP 21 Cb 0.13 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.51 3iqe h ASP 21 CO -0.17 0.71 -0.46 0.24 -1.03 0.00 0.00 179.24 178.53 3iqe h MET 22 N 0.32 0.00 0.00 4.15 2.86 -1.44 -2.05 114.93 118.77 3iqe h MET 22 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3iqe h MET 22 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3iqe h MET 22 CO 0.06 0.46 0.00 -0.07 1.06 0.00 0.00 176.91 178.42 3iqe h LEU 23 N 0.00 0.00 0.00 1.22 3.38 -1.17 -2.54 115.31 116.20 3iqe h LEU 23 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqe h LEU 23 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3iqe h LEU 23 CO 0.06 0.00 -0.67 0.18 0.09 0.00 0.00 178.44 178.10 3iqe n LEU 24 N -2.68 0.63 -2.92 1.67 4.77 -0.77 -4.60 117.00 113.10 3iqe n LEU 24 Ca -0.00 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 3iqe n LEU 24 Cb 0.16 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3iqe n LEU 24 CO 0.19 0.14 0.08 -0.67 -1.33 0.00 0.00 177.39 175.80 3iqe n ASP 25 N -1.58 -1.13 0.27 -1.43 2.03 -0.96 -4.99 116.55 108.76 3iqe n ASP 25 Ca 0.05 -3.35 0.18 0.00 0.52 0.00 0.00 54.79 52.19 3iqe n ASP 25 Cb 0.35 0.86 0.93 0.00 -0.72 0.00 0.00 41.12 42.54 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 3.18 0.00 0.00 -0.67 9.09 -1.80 -1.96 114.58 122.42 3iqe h GLU 26 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.39 3iqe h GLU 26 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3iqe h GLU 26 CO 0.30 0.00 -0.10 0.54 0.05 0.00 0.00 179.01 179.81 3iqe n ARG 27 N -2.82 1.32 -4.27 1.06 1.74 -1.26 -4.99 116.66 107.44 3iqe n ARG 27 Ca -0.02 -1.80 -0.37 0.00 -0.77 0.00 0.00 57.85 54.89 3iqe n ARG 27 Cb 0.12 -1.08 -0.05 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 -0.79 -1.21 -0.07 7.54 0.00 -0.74 -4.84 120.51 120.39 3iqe n ALA 28 Ca 0.07 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.46 3iqe n ALA 28 Cb 0.54 -2.95 0.09 0.00 0.00 0.00 0.00 19.45 17.13 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 -2.51 2.50 -4.73 0.00 5.75 -1.26 -5.01 116.55 111.28 3iqe n ASP 29 Ca 0.09 -1.93 -0.41 0.00 -0.01 0.00 0.00 54.79 52.53 3iqe n ASP 29 Cb 0.47 -0.13 -0.04 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.96 4.68 0.00 0.11 0.52 -1.26 -4.49 118.95 117.54 3iqe s ARG 30 Ca 0.14 1.53 0.23 0.00 -0.52 0.00 0.00 55.73 57.11 3iqe s ARG 30 Cb 0.08 -3.35 0.07 0.00 0.52 0.00 0.00 34.95 32.27 3iqe s ARG 30 CO 0.10 0.19 1.13 0.39 0.02 0.00 0.00 175.30 177.13 3iqe n GLU 31 N 2.62 0.99 -0.15 3.54 1.02 -0.03 -4.43 120.64 124.20 3iqe n GLU 31 Ca 0.02 -0.79 0.07 0.00 -0.02 0.00 0.00 57.16 56.44 3iqe n GLU 31 Cb 0.48 -1.48 0.15 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.31 2.85 -3.96 1.62 3.85 -1.26 -4.87 116.55 114.48 3iqe n ASP 32 Ca 0.09 -1.88 -0.11 0.00 -0.71 0.00 0.00 54.79 52.18 3iqe n ASP 32 Cb 0.43 -0.20 -0.12 0.00 -1.35 0.00 0.00 41.12 39.88 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 -1.04 0.16 -0.02 2.12 -7.23 -1.26 -0.85 120.40 112.29 3iqe s VAL 33 Ca 0.25 -0.59 -0.00 0.00 -1.81 0.00 0.00 61.98 59.83 3iqe s VAL 33 Cb 0.14 -0.24 0.02 0.00 0.56 0.00 0.00 36.38 36.86 3iqe s VAL 33 CO 0.19 -0.27 0.03 -0.70 -0.31 0.00 0.00 175.10 174.04 3iqe s GLU 34 N -0.90 -0.02 0.08 4.82 2.12 -0.51 -4.94 118.70 119.36 3iqe s GLU 34 Ca -0.08 0.14 0.09 0.00 0.36 0.00 0.00 54.97 55.47 3iqe s GLU 34 Cb -0.06 -0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.14 3iqe s GLU 34 CO -0.00 -0.11 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.31 3iqe s PHE 35 N 0.72 2.01 0.08 5.30 2.99 -1.26 -1.83 117.98 125.98 3iqe s PHE 35 Ca -0.06 -0.40 0.09 0.00 0.00 0.00 0.00 56.93 56.57 3iqe s PHE 35 Cb -0.09 -1.14 -0.03 0.00 0.00 0.00 0.00 43.02 41.76 3iqe s PHE 35 CO -0.02 0.19 -0.24 1.03 -0.00 0.00 0.00 175.22 176.18 3iqe s ARG 36 N -1.62 1.47 -0.05 0.44 1.81 -0.84 -4.99 118.95 115.17 3iqe s ARG 36 Ca 0.09 -1.15 0.04 0.00 -1.72 0.00 0.00 55.73 52.99 3iqe s ARG 36 Cb -0.10 -1.74 0.00 0.00 -0.45 0.00 0.00 34.95 32.66 3iqe s ARG 36 CO 0.04 0.43 -0.16 0.08 -0.68 0.00 0.00 175.30 175.01 3iqe s VAL 37 N -0.94 1.35 0.01 3.52 1.01 -1.26 -1.05 120.40 123.04 3iqe s VAL 37 Ca 0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3iqe s VAL 37 Cb -0.10 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3iqe s VAL 37 CO 0.03 0.39 0.01 0.68 0.00 0.00 0.00 175.10 176.22 3iqe s VAL 38 N 0.21 0.10 0.14 2.92 -7.23 -0.44 -4.97 120.40 111.13 3iqe s VAL 38 Ca -0.07 -0.81 -0.23 0.00 -1.81 0.00 0.00 61.98 59.06 3iqe s VAL 38 Cb -0.13 -0.29 0.08 0.00 0.56 0.00 0.00 36.38 36.61 3iqe s VAL 38 CO 0.03 -0.44 1.09 -0.83 -0.31 0.00 0.00 175.10 174.64 3iqe s GLY 39 N -1.35 0.06 -0.20 2.32 0.00 -1.26 -1.10 107.32 105.79 3iqe s GLY 39 Ca -0.15 -0.26 0.15 0.00 0.00 0.00 0.00 44.72 44.46 3iqe s GLY 39 CO -0.00 3.08 1.34 -1.30 0.00 0.00 0.00 173.10 176.22 3iqe n THR 40 N -0.74 2.25 -4.80 0.90 -2.24 -0.99 -4.96 114.28 103.70 3iqe n THR 40 Ca -0.02 -2.37 0.00 0.00 -2.27 0.00 0.00 64.05 59.39 3iqe n THR 40 Cb 0.59 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.99 0.00 0.09 3.42 2.88 -1.25 -3.16 113.62 114.61 3iqe n SER 41 Ca 0.23 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.89 3iqe n SER 41 Cb 0.84 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.76 3iqe n SER 41 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3iqe n VAL 42 N 0.00 0.65 -2.62 2.46 0.24 -1.26 -0.78 118.33 117.01 3iqe n VAL 42 Ca 0.00 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 3iqe n VAL 42 Cb 0.00 -0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 31.52 3iqe n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3iqe s LYS 43 N -3.16 4.51 -0.03 7.34 -0.14 -1.19 -3.50 119.74 123.57 3iqe s LYS 43 Ca 0.08 1.53 0.25 0.00 -1.36 0.00 0.00 55.97 56.47 3iqe s LYS 43 Cb 0.12 -3.43 0.43 0.00 -1.68 0.00 0.00 37.83 33.27 3iqe s LYS 43 CO 0.48 -0.13 1.17 0.00 -0.76 0.00 0.00 175.35 176.11 3iqe n MET 44 N 4.00 0.21 -1.26 1.68 0.00 -1.26 -3.55 117.12 116.93 3iqe n MET 44 Ca 0.07 -2.17 -0.31 0.00 0.00 0.00 0.00 57.70 55.29 3iqe n MET 44 Cb 0.49 -0.20 0.09 0.00 0.00 0.00 0.00 33.22 33.61 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 -2.17 4.51 0.23 3.17 -4.77 -1.26 -3.80 116.67 112.57 3iqe s ASP 45 Ca 0.34 1.82 -0.06 0.00 -3.30 0.00 0.00 52.55 51.36 3iqe s ASP 45 Cb 0.39 -2.52 0.35 0.00 -1.09 0.00 0.00 42.92 40.05 3iqe s ASP 45 CO -0.16 -2.03 1.79 -0.65 0.70 0.00 0.00 175.17 174.82 3iqe h PRO 46 N -1.12 0.66 -0.94 2.11 0.11 -1.86 -0.11 132.00 130.86 3iqe h PRO 46 Ca -0.44 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.66 3iqe h PRO 46 Cb 1.23 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3iqe h PRO 46 CO 0.51 0.44 0.61 0.93 -0.21 0.00 0.00 178.00 180.28 3iqe h GLU 47 N 0.68 1.18 0.05 1.05 3.07 -1.96 0.15 114.58 118.81 3iqe h GLU 47 Ca 0.36 -0.07 -0.25 0.00 -0.50 0.00 0.00 59.36 58.90 3iqe h GLU 47 Cb 0.35 -0.27 0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3iqe h GLU 47 CO -0.25 0.78 -1.07 0.00 -1.40 0.00 0.00 179.01 177.07 3iqe h VAL 49 N 0.18 1.26 0.18 0.00 2.07 -0.83 -0.64 116.25 118.47 3iqe h VAL 49 Ca -0.11 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.31 3iqe h VAL 49 Cb 1.73 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3iqe h VAL 49 CO 0.18 0.40 -0.23 -0.08 0.02 0.00 0.00 177.57 177.87 3iqe h GLU 50 N 0.86 -0.44 -0.64 1.57 4.81 -0.71 -0.29 114.58 119.74 3iqe h GLU 50 Ca 0.16 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.54 3iqe h GLU 50 Cb 0.54 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.92 3iqe h GLU 50 CO 0.03 -0.29 0.13 0.00 -0.73 0.00 0.00 179.01 178.15 3iqe h ALA 51 N 0.28 0.76 -0.49 2.92 0.00 -1.33 0.62 119.26 122.02 3iqe h ALA 51 Ca 0.01 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3iqe h ALA 51 Cb 0.45 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3iqe h ALA 51 CO -0.08 -0.32 0.28 0.00 0.00 0.00 0.00 179.25 179.13 3iqe h ALA 52 N 1.52 0.63 -0.19 0.00 0.00 -0.66 -0.34 119.26 120.22 3iqe h ALA 52 Ca 0.34 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 3iqe h ALA 52 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3iqe h ALA 52 CO -0.44 -0.04 -0.69 0.28 0.00 0.00 0.00 179.25 178.36 3iqe h VAL 53 N 0.56 1.29 -0.37 0.00 2.07 -0.33 -2.50 116.25 116.96 3iqe h VAL 53 Ca 0.20 -1.91 0.05 0.00 0.82 0.00 0.00 66.70 65.86 3iqe h VAL 53 Cb 0.05 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3iqe h VAL 53 CO -0.11 0.61 0.25 -0.33 0.02 0.00 0.00 177.57 178.01 3iqe h GLU 54 N 0.55 0.31 -0.28 1.57 5.08 -0.70 -1.56 114.58 119.55 3iqe h GLU 54 Ca -0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3iqe h GLU 54 Cb 1.31 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3iqe h GLU 54 CO 0.14 0.20 0.03 0.52 -1.00 0.00 0.00 179.01 178.91 3iqe h MET 55 N 0.32 0.47 -0.78 2.33 2.86 -0.63 -1.60 114.93 117.90 3iqe h MET 55 Ca 0.16 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3iqe h MET 55 Cb 0.24 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3iqe h MET 55 CO -0.03 0.60 0.41 0.00 1.06 0.00 0.00 176.91 178.95 3iqe h ALA 56 N 0.85 1.00 -0.09 6.32 0.00 -1.12 -1.57 119.26 124.65 3iqe h ALA 56 Ca 0.08 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3iqe h ALA 56 Cb 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3iqe h ALA 56 CO 0.01 0.52 -0.58 -0.07 0.00 0.00 0.00 179.25 179.13 3iqe h LEU 57 N 1.08 0.34 -0.37 0.00 3.38 -1.20 0.24 115.31 118.78 3iqe h LEU 57 Ca 0.27 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 3iqe h LEU 57 Cb 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3iqe h LEU 57 CO -0.04 0.84 -0.28 -0.78 0.09 0.00 0.00 178.44 178.27 3iqe h ASP 58 N 0.23 0.90 0.56 -0.43 -0.00 -1.22 -2.98 116.42 113.47 3iqe h ASP 58 Ca -0.00 -0.44 -0.12 0.00 -0.00 0.00 0.00 57.03 56.46 3iqe h ASP 58 Cb 1.09 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.33 40.15 3iqe h ASP 58 CO 0.09 1.15 -0.59 0.40 -0.00 0.00 0.00 179.24 180.30 3iqe h ILE 59 N 0.65 1.42 0.00 2.25 2.04 -0.85 -3.17 117.51 119.86 3iqe h ILE 59 Ca 0.07 -2.00 -0.07 0.00 1.00 0.00 0.00 64.86 63.86 3iqe h ILE 59 Cb 0.86 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 3iqe h ILE 59 CO 0.07 0.57 -0.34 0.00 0.00 0.00 0.00 178.15 178.46 3iqe h ALA 60 N 1.40 1.35 -0.60 1.87 0.00 -0.44 -1.84 119.26 121.00 3iqe h ALA 60 Ca -0.01 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.70 3iqe h ALA 60 Cb 1.04 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 3iqe h ALA 60 CO 0.08 0.42 0.15 1.49 0.00 0.00 0.00 179.25 181.39 3iqe h GLU 61 N 0.00 0.29 0.14 0.00 4.81 -1.49 0.12 114.58 118.44 3iqe h GLU 61 Ca -0.00 -0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 58.91 3iqe h GLU 61 Cb 0.63 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3iqe h GLU 61 CO 0.04 0.19 -1.44 -0.44 -0.73 0.00 0.00 179.01 176.63 3iqe h ASP 62 N 0.30 0.47 0.56 1.04 3.45 -1.72 -3.39 116.42 117.13 3iqe h ASP 62 Ca 0.31 -0.58 -0.29 0.00 0.43 0.00 0.00 57.03 56.90 3iqe h ASP 62 Cb 0.44 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3iqe h ASP 62 CO -0.37 1.47 -1.43 0.15 -1.57 0.00 0.00 179.24 177.49 3iqe h PHE 63 N 0.08 0.35 -5.48 4.55 3.57 -1.04 -3.49 116.94 115.47 3iqe h PHE 63 Ca -0.21 -0.25 -0.23 0.00 3.53 0.00 0.00 57.97 60.80 3iqe h PHE 63 Cb 2.03 -0.01 0.17 0.00 2.79 0.00 0.00 35.95 40.92 3iqe h PHE 63 CO 0.07 1.28 -0.77 0.39 -2.23 0.00 0.00 178.31 177.05 3iqe n GLU 64 N -3.41 -2.09 -1.85 1.11 1.02 0.38 -4.97 120.64 110.83 3iqe n GLU 64 Ca -0.13 0.92 -0.40 0.00 -0.02 0.00 0.00 57.16 57.53 3iqe n GLU 64 Cb 1.03 -5.74 0.01 0.00 -0.02 0.00 0.00 31.44 26.71 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 -4.32 3.91 0.20 3.49 0.04 -1.26 -4.83 135.00 132.23 3iqe s PRO 65 Ca 0.41 2.43 0.11 0.00 0.04 0.00 0.00 61.00 63.99 3iqe s PRO 65 Cb -0.06 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 3iqe s PRO 65 CO 0.75 -0.64 1.38 -0.44 0.04 0.00 0.00 177.00 178.09 3iqe h ASP 66 N 2.66 0.00 -5.04 6.66 5.19 -1.30 -3.47 116.42 121.13 3iqe h ASP 66 Ca -0.51 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.87 3iqe h ASP 66 Cb 1.25 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.64 3iqe h ASP 66 CO 0.63 0.76 0.08 0.72 -3.12 0.00 0.00 179.24 178.31 3iqe s PHE 67 N -2.90 -0.38 -0.02 4.55 -0.12 -1.21 -4.33 117.98 113.57 3iqe s PHE 67 Ca 0.02 0.11 0.08 0.00 -0.05 0.00 0.00 56.93 57.09 3iqe s PHE 67 Cb 0.09 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 3iqe s PHE 67 CO 0.78 -0.79 -0.26 0.42 -0.05 0.00 0.00 175.22 175.33 3iqe s ILE 68 N -3.78 2.03 -0.14 -4.49 1.01 -0.45 -2.64 121.20 112.75 3iqe s ILE 68 Ca 0.02 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.59 3iqe s ILE 68 Cb 0.00 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.79 3iqe s ILE 68 CO -0.12 0.57 -0.21 -0.69 0.00 0.00 0.00 174.94 174.49 3iqe s VAL 69 N -0.60 2.20 -0.18 2.92 1.01 0.41 -1.84 120.40 124.32 3iqe s VAL 69 Ca 0.10 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 3iqe s VAL 69 Cb -0.10 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3iqe s VAL 69 CO -0.01 0.54 0.00 -0.47 0.00 0.00 0.00 175.10 175.16 3iqe s TYR 70 N 0.75 3.07 -0.09 5.22 6.14 -0.55 -0.06 117.35 131.83 3iqe s TYR 70 Ca -0.08 -0.30 0.01 0.00 0.64 0.00 0.00 57.07 57.34 3iqe s TYR 70 Cb -0.16 -2.04 0.02 0.00 0.42 0.00 0.00 41.96 40.20 3iqe s TYR 70 CO -0.00 -0.10 -0.12 0.20 0.64 0.00 0.00 175.55 176.17 3iqe s GLY 71 N 0.68 0.86 0.00 8.97 0.00 0.50 -1.63 107.32 116.71 3iqe s GLY 71 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3iqe s GLY 71 CO 0.02 0.34 0.00 0.61 0.00 0.00 0.00 173.10 174.07 3iqe n GLY 72 N 4.23 0.84 3.73 0.20 0.00 -0.85 -2.75 105.19 110.58 3iqe n GLY 72 Ca -0.19 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 3iqe n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iqe s PRO 73 N -2.00 2.10 -0.05 1.61 0.02 -1.26 -4.22 135.00 131.20 3iqe s PRO 73 Ca 0.00 1.64 -0.04 0.00 0.02 0.00 0.00 61.00 62.62 3iqe s PRO 73 Cb 0.00 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.69 3iqe s PRO 73 CO 0.00 -1.84 0.07 -1.71 -0.33 0.00 0.00 177.00 173.19 3iqe n ASN 74 N -2.92 -4.11 0.22 2.53 2.85 -1.26 -4.84 115.26 107.72 3iqe n ASN 74 Ca 0.12 0.20 0.14 0.00 -0.11 0.00 0.00 54.58 54.94 3iqe n ASN 74 Cb 0.51 -1.01 0.77 0.00 1.24 0.00 0.00 39.78 41.29 3iqe n ASN 74 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iqe h PRO 75 N 2.45 0.00 0.00 1.20 0.11 -1.87 -2.01 132.00 131.88 3iqe h PRO 75 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3iqe h PRO 75 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3iqe h PRO 75 CO 0.02 0.00 -0.72 0.00 -0.21 0.00 0.00 178.00 177.10 3iqe h ALA 76 N 1.92 0.57 -2.27 -0.75 0.00 -1.88 -3.28 119.26 113.57 3iqe h ALA 76 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3iqe h ALA 76 Cb 0.07 0.00 0.18 0.00 0.00 0.00 0.00 17.79 18.03 3iqe h ALA 76 CO 0.00 0.00 0.18 0.00 0.00 0.00 0.00 179.25 179.43 3iqe s ALA 77 N -3.23 0.99 0.24 0.00 0.00 -0.76 -4.77 121.76 114.24 3iqe s ALA 77 Ca 0.04 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 3iqe s ALA 77 Cb 0.12 -3.26 0.24 0.00 0.00 0.00 0.00 23.12 20.22 3iqe s ALA 77 CO 0.74 -2.84 1.90 -1.35 0.00 0.00 0.00 175.76 174.21 3iqe h PRO 78 N -1.91 1.30 0.57 0.00 0.11 -1.90 -1.70 132.00 128.46 3iqe h PRO 78 Ca -0.51 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 65.46 3iqe h PRO 78 Cb 1.29 -0.28 0.01 0.00 0.11 0.00 0.00 31.00 32.13 3iqe h PRO 78 CO 0.51 0.90 -0.27 0.78 -0.21 0.00 0.00 178.00 179.70 3iqe h GLY 79 N 1.33 -0.80 1.31 -0.55 0.00 -1.85 -2.54 103.07 99.97 3iqe h GLY 79 Ca 0.35 0.30 0.10 0.00 0.00 0.00 0.00 47.33 48.07 3iqe h GLY 79 CO -0.07 -0.29 0.26 -2.55 0.00 0.00 0.00 176.54 173.89 3iqe h PRO 80 N -1.10 0.05 -0.20 4.80 0.11 -1.76 -1.13 132.00 132.76 3iqe h PRO 80 Ca -0.08 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.87 3iqe h PRO 80 Cb 0.64 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3iqe h PRO 80 CO 0.13 0.03 -0.54 0.77 -0.21 0.00 0.00 178.00 178.18 3iqe h SER 81 N 0.05 0.65 -0.66 -2.05 0.02 -1.20 0.15 113.55 110.50 3iqe h SER 81 Ca 0.17 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 3iqe h SER 81 Cb 0.62 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 3iqe h SER 81 CO -0.01 1.06 0.15 0.50 -1.14 0.00 0.00 176.83 177.39 3iqe h LYS 82 N 0.45 1.09 -0.50 3.45 1.63 -0.81 -1.53 116.57 120.35 3iqe h LYS 82 Ca 0.01 -0.26 -0.04 0.00 -0.85 0.00 0.00 60.65 59.52 3iqe h LYS 82 Cb 1.08 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 3iqe h LYS 82 CO 0.10 0.97 0.17 0.00 -3.45 0.00 0.00 179.45 177.24 3iqe h ALA 83 N 1.13 0.65 -0.87 5.00 0.00 -0.48 -1.62 119.26 123.06 3iqe h ALA 83 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iqe h ALA 83 Cb 0.38 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3iqe h ALA 83 CO 0.00 0.29 0.55 0.00 0.00 0.00 0.00 179.25 180.09 3iqe h ARG 84 N 0.67 1.17 -0.40 0.00 3.08 -0.46 -0.34 114.38 118.11 3iqe h ARG 84 Ca 0.16 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3iqe h ARG 84 Cb 0.24 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3iqe h ARG 84 CO -0.01 0.79 0.08 0.93 -1.07 0.00 0.00 179.97 180.70 3iqe h GLU 85 N 1.19 0.64 -0.42 0.04 5.08 -0.88 0.27 114.58 120.51 3iqe h GLU 85 Ca 0.32 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 3iqe h GLU 85 Cb -0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3iqe h GLU 85 CO -0.06 0.68 -0.32 0.52 -1.00 0.00 0.00 179.01 178.82 3iqe h MET 86 N 0.50 0.96 -0.13 2.33 2.86 -0.93 -2.18 114.93 118.34 3iqe h MET 86 Ca 0.12 -0.47 -0.22 0.00 -2.06 0.00 0.00 59.70 57.07 3iqe h MET 86 Cb 0.33 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.00 3iqe h MET 86 CO 0.00 1.13 -0.80 -0.07 1.06 0.00 0.00 176.91 178.24 3iqe h LEU 87 N 0.79 0.89 -2.19 1.22 3.38 -1.05 -2.01 115.31 116.34 3iqe h LEU 87 Ca 0.08 -0.60 0.05 0.00 0.09 0.00 0.00 57.88 57.50 3iqe h LEU 87 Cb 0.91 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3iqe h LEU 87 CO 0.09 1.39 0.17 0.00 0.09 0.00 0.00 178.44 180.17 3iqe h ALA 88 N 0.59 1.89 0.00 1.53 0.00 -0.85 -2.06 119.26 120.35 3iqe h ALA 88 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iqe h ALA 88 Cb 1.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3iqe h ALA 88 CO 0.16 -0.26 -1.01 -0.25 0.00 0.00 0.00 179.25 177.90 3iqe n ASP 89 N -4.00 0.66 -4.77 0.00 9.92 -0.83 -4.95 116.55 112.57 3iqe n ASP 89 Ca 0.01 -0.42 -0.29 0.00 -0.53 0.00 0.00 54.79 53.56 3iqe n ASP 89 Cb 0.29 0.86 0.11 0.00 -0.64 0.00 0.00 41.12 41.74 3iqe n ASP 89 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3iqe s SER 90 N -3.57 4.18 0.00 -2.24 1.04 -0.78 -4.96 113.70 107.37 3iqe s SER 90 Ca 0.05 0.73 0.31 0.00 0.48 0.00 0.00 55.95 57.51 3iqe s SER 90 Cb 0.15 -1.16 1.61 0.00 0.10 0.00 0.00 66.02 66.72 3iqe s SER 90 CO 0.81 -2.11 2.09 -1.84 0.98 0.00 0.00 173.24 173.17 3iqe n GLU 91 N -3.44 0.62 -4.07 4.02 0.28 -1.26 -4.88 120.64 111.90 3iqe n GLU 91 Ca 0.09 -0.02 -0.35 0.00 -0.16 0.00 0.00 57.16 56.72 3iqe n GLU 91 Cb 0.61 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.88 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 -2.40 3.26 0.56 -1.84 2.02 -1.26 -5.08 117.35 112.61 3iqe s TYR 92 Ca 0.34 0.11 -0.20 0.00 -0.37 0.00 0.00 57.07 56.95 3iqe s TYR 92 Cb 0.21 -2.02 -0.06 0.00 -0.40 0.00 0.00 41.96 39.69 3iqe s TYR 92 CO 0.44 0.24 0.96 -2.30 -1.57 0.00 0.00 175.55 173.32 3iqe n PRO 93 N 3.21 1.01 -3.69 -1.71 -0.02 -1.26 -4.79 135.00 127.75 3iqe n PRO 93 Ca -0.17 0.38 -0.15 0.00 -2.02 0.00 0.00 63.50 61.55 3iqe n PRO 93 Cb 0.53 -2.14 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.47 -1.07 -0.04 3.55 0.00 -1.26 -1.33 121.76 120.14 3iqe s ALA 94 Ca 0.72 0.59 0.02 0.00 0.00 0.00 0.00 51.96 53.30 3iqe s ALA 94 Cb -0.44 0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3iqe s ALA 94 CO 0.50 -0.31 -0.10 0.08 0.00 0.00 0.00 175.76 175.93 3iqe s VAL 95 N -1.41 0.87 -0.21 0.00 1.01 -0.76 -1.07 120.40 118.84 3iqe s VAL 95 Ca -0.12 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 3iqe s VAL 95 Cb -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 3iqe s VAL 95 CO 0.05 0.28 0.06 -0.63 0.00 0.00 0.00 175.10 174.85 3iqe s ILE 96 N 0.33 4.48 -0.26 2.22 -1.09 -0.02 -1.48 121.20 125.37 3iqe s ILE 96 Ca -0.06 -0.13 -0.08 0.00 -2.23 0.00 0.00 60.65 58.15 3iqe s ILE 96 Cb -0.11 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 3iqe s ILE 96 CO 0.01 0.41 0.09 -0.63 -1.23 0.00 0.00 174.94 173.59 3iqe s ILE 97 N 0.93 4.44 0.18 2.92 1.01 -0.65 0.18 121.20 130.22 3iqe s ILE 97 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3iqe s ILE 97 Cb -0.14 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 3iqe s ILE 97 CO 0.03 0.30 0.20 0.61 0.00 0.00 0.00 174.94 176.08 3iqe n GLY 98 N 4.94 3.06 0.00 6.18 0.00 -0.85 -2.00 105.19 116.52 3iqe n GLY 98 Ca -0.16 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.10 0.18 -0.05 1.61 3.85 -1.26 -1.18 116.55 117.61 3iqe n ASP 99 Ca 0.03 0.00 -0.05 0.00 -0.71 0.00 0.00 54.79 54.06 3iqe n ASP 99 Cb 0.32 0.00 0.16 0.00 -1.35 0.00 0.00 41.12 40.25 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 -0.80 1.03 -0.03 2.12 0.00 -1.81 -2.34 119.26 117.45 3iqe h ALA 100 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 3iqe h ALA 100 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3iqe h ALA 100 CO 0.00 0.58 0.04 -1.35 0.00 0.00 0.00 179.25 178.52 3iqe h PRO 101 N 0.58 0.00 0.00 0.00 0.11 -1.95 -1.20 132.00 129.54 3iqe h PRO 101 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3iqe h PRO 101 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3iqe h PRO 101 CO 0.04 0.00 0.10 0.78 -0.21 0.00 0.00 178.00 178.71 3iqe h GLY 102 N 0.00 0.00 1.82 -0.55 0.00 -1.78 -2.58 103.07 99.98 3iqe h GLY 102 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 3iqe h GLY 102 CO -0.00 0.00 -0.18 1.41 0.00 0.00 0.00 176.54 177.77 3iqe h LEU 103 N 0.00 0.21 -2.04 3.11 3.38 -1.41 -1.39 115.31 117.17 3iqe h LEU 103 Ca 0.00 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.04 3iqe h LEU 103 Cb 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3iqe h LEU 103 CO 0.00 0.41 0.37 0.11 0.09 0.00 0.00 178.44 179.42 3iqe h LYS 104 N 0.21 0.00 -0.03 1.13 1.57 -1.68 -2.26 116.57 115.51 3iqe h LYS 104 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3iqe h LYS 104 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3iqe h LYS 104 CO 0.03 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.24 3iqe n VAL 105 N -3.95 1.54 0.01 0.50 0.24 -0.56 -4.79 118.33 111.32 3iqe n VAL 105 Ca 0.07 -1.71 -0.10 0.00 -2.04 0.00 0.00 64.34 60.56 3iqe n VAL 105 Cb 0.55 0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 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 0.19 -0.26 -0.78 7.34 3.64 -1.00 -1.09 116.57 124.62 3iqe h LYS 106 Ca 0.00 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 3iqe h LYS 106 Cb 0.83 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.62 3iqe h LYS 106 CO 0.01 -0.17 0.36 -0.44 -2.27 0.00 0.00 179.45 176.94 3iqe h ASP 107 N -0.27 0.41 -0.35 4.20 3.32 -1.87 -1.87 116.42 120.00 3iqe h ASP 107 Ca 0.09 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.25 3iqe h ASP 107 Cb 0.40 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3iqe h ASP 107 CO -0.26 0.18 0.19 -0.33 -1.72 0.00 0.00 179.24 177.30 3iqe h GLU 108 N 0.54 0.37 -0.72 3.56 5.08 -1.64 0.32 114.58 122.10 3iqe h GLU 108 Ca 0.42 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3iqe h GLU 108 Cb 0.57 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 3iqe h GLU 108 CO -0.36 0.25 0.45 0.52 -1.00 0.00 0.00 179.01 178.87 3iqe h MET 109 N 0.38 0.96 -0.30 2.33 2.86 -0.65 0.51 114.93 121.03 3iqe h MET 109 Ca 0.14 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3iqe h MET 109 Cb 0.03 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 3iqe h MET 109 CO -0.08 0.65 0.02 0.93 1.06 0.00 0.00 176.91 179.49 3iqe h GLU 110 N 0.98 0.51 0.00 1.72 5.08 -0.78 0.33 114.58 122.43 3iqe h GLU 110 Ca 0.26 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3iqe h GLU 110 Cb -0.08 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3iqe h GLU 110 CO -0.05 0.64 0.00 1.49 -1.00 0.00 0.00 179.01 180.09 3iqe h GLU 111 N 0.32 0.00 0.00 2.33 4.81 0.08 -0.20 114.58 121.91 3iqe h GLU 111 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3iqe h GLU 111 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3iqe h GLU 111 CO 0.01 0.00 -0.65 1.04 -0.73 0.00 0.00 179.01 178.68 3iqe n GLN 112 N -2.91 0.15 -1.54 1.92 6.02 0.17 -4.94 117.38 116.24 3iqe n GLN 112 Ca -0.01 0.03 -0.03 0.00 -0.01 0.00 0.00 57.00 56.98 3iqe n GLN 112 Cb 0.16 -1.58 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 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 1.42 0.44 3.89 1.08 0.00 -0.05 -4.82 105.19 107.15 3iqe n GLY 113 Ca 0.04 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.79 4.22 0.70 0.99 1.43 -0.27 -4.79 118.68 120.17 3iqe s LEU 114 Ca 0.00 0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 53.74 3iqe s LEU 114 Cb 0.00 -3.45 0.07 0.00 0.03 0.00 0.00 46.19 42.84 3iqe s LEU 114 CO 0.00 -0.01 1.01 -0.83 0.23 0.00 0.00 176.35 176.75 3iqe s GLY 115 N -2.48 1.70 0.05 -3.19 0.00 -0.23 -4.41 107.32 98.76 3iqe s GLY 115 Ca 0.43 -0.99 -0.23 0.00 0.00 0.00 0.00 44.72 43.93 3iqe s GLY 115 CO 0.24 -0.57 0.55 -2.52 0.00 0.00 0.00 173.10 170.79 3iqe s TYR 116 N -3.23 -0.47 -0.19 1.90 1.13 0.12 -0.84 117.35 115.77 3iqe s TYR 116 Ca 0.61 0.54 -0.02 0.00 -1.41 0.00 0.00 57.07 56.79 3iqe s TYR 116 Cb -0.10 0.38 0.05 0.00 -1.10 0.00 0.00 41.96 41.19 3iqe s TYR 116 CO 0.45 -0.66 -0.00 0.42 -2.51 0.00 0.00 175.55 173.24 3iqe s ILE 117 N -2.44 0.85 -0.22 -3.49 1.01 0.13 -0.71 121.20 116.32 3iqe s ILE 117 Ca -0.05 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 3iqe s ILE 117 Cb -0.01 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 3iqe s ILE 117 CO -0.02 -0.10 0.03 -0.76 0.00 0.00 0.00 174.94 174.10 3iqe s LEU 118 N 1.72 3.36 -0.42 2.97 1.43 0.78 -2.00 118.68 126.53 3iqe s LEU 118 Ca -0.01 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 3iqe s LEU 118 Cb -0.17 -1.88 0.10 0.00 0.03 0.00 0.00 46.19 44.27 3iqe s LEU 118 CO -0.07 0.02 0.24 -0.69 0.23 0.00 0.00 176.35 176.08 3iqe s VAL 119 N 1.26 3.83 0.20 -1.59 1.01 -0.32 -0.52 120.40 124.26 3iqe s VAL 119 Ca 0.04 -1.71 -0.07 0.00 0.00 0.00 0.00 61.98 60.24 3iqe s VAL 119 Cb -0.15 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.84 3iqe s VAL 119 CO 0.02 -0.60 1.66 0.11 0.00 0.00 0.00 175.10 176.29 3iqe h LYS 120 N 8.27 0.97 0.00 2.72 1.57 -1.58 -2.56 116.57 125.97 3iqe h LYS 120 Ca -0.19 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3iqe h LYS 120 Cb 1.07 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3iqe h LYS 120 CO 0.75 0.98 0.00 -0.35 -0.57 0.00 0.00 179.45 180.26 3iqe n PRO 121 N -4.17 0.15 -2.32 3.15 -0.04 -1.26 -4.28 135.00 126.22 3iqe n PRO 121 Ca 0.02 0.19 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 3iqe n PRO 121 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3iqe n PRO 121 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3iqe n ASP 122 N -1.33 4.64 -4.81 3.54 -0.08 -0.96 -4.40 116.55 113.14 3iqe n ASP 122 Ca 0.06 -2.92 -0.35 0.00 -1.51 0.00 0.00 54.79 50.06 3iqe n ASP 122 Cb 0.11 -1.67 -0.06 0.00 2.34 0.00 0.00 41.12 41.84 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 3.13 3.29 0.32 -1.67 0.00 -1.26 -4.77 121.76 120.81 3iqe s ALA 123 Ca 0.49 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 3iqe s ALA 123 Cb 0.07 -2.94 -0.11 0.00 0.00 0.00 0.00 23.12 20.14 3iqe s ALA 123 CO 0.01 0.26 1.48 1.41 0.00 0.00 0.00 175.76 178.92 3iqe s MET 124 N -2.38 4.18 0.76 0.00 1.75 -1.26 -4.93 119.30 117.42 3iqe s MET 124 Ca 0.50 2.47 -0.03 0.00 -1.25 0.00 0.00 55.69 57.38 3iqe s MET 124 Cb -0.15 -3.02 0.14 0.00 2.84 0.00 0.00 34.83 34.64 3iqe s MET 124 CO 0.20 -0.48 1.05 -0.48 -0.65 0.00 0.00 175.02 174.65 3iqe s LEU 125 N -1.31 2.93 -1.44 4.11 0.05 -1.26 -4.56 118.68 117.20 3iqe s LEU 125 Ca 0.56 -0.29 -0.13 0.00 0.05 0.00 0.00 54.13 54.32 3iqe s LEU 125 Cb -0.45 -1.98 0.06 0.00 -2.05 0.00 0.00 46.19 41.77 3iqe s LEU 125 CO 0.54 -2.03 2.22 0.61 -0.55 0.00 0.00 176.35 177.15 3iqe n GLY 126 N -2.99 4.49 3.20 -3.48 0.00 -1.26 -4.87 105.19 100.27 3iqe n GLY 126 Ca 0.15 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 3iqe n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqe n ALA 127 N 5.42 4.23 -2.72 4.61 0.00 -1.26 -4.32 120.51 126.47 3iqe n ALA 127 Ca 0.52 -3.77 -0.29 0.00 0.00 0.00 0.00 53.44 49.90 3iqe n ALA 127 Cb 0.37 -3.57 -0.16 0.00 0.00 0.00 0.00 19.45 16.08 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 4.02 2.19 0.49 0.00 1.81 -1.26 -4.93 118.95 121.27 3iqe s ARG 128 Ca 0.52 -0.80 0.20 0.00 -1.72 0.00 0.00 55.73 53.94 3iqe s ARG 128 Cb 0.08 -1.91 1.26 0.00 -0.45 0.00 0.00 34.95 33.93 3iqe s ARG 128 CO 0.02 0.36 2.00 -0.09 -0.68 0.00 0.00 175.30 176.91 3iqe h ARG 129 N 6.02 0.14 0.00 3.54 2.43 -1.89 0.55 114.38 125.17 3iqe h ARG 129 Ca -0.34 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3iqe h ARG 129 Cb 1.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3iqe h ARG 129 CO 0.47 0.09 0.00 0.93 -1.51 0.00 0.00 179.97 179.96 3iqe h GLU 130 N 0.14 0.00 0.00 0.20 3.07 -1.96 -3.37 114.58 112.66 3iqe h GLU 130 Ca 0.24 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 3iqe h GLU 130 Cb 0.76 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3iqe h GLU 130 CO -0.03 0.00 -0.91 0.34 -1.40 0.00 0.00 179.01 177.01 3iqe n PHE 131 N -2.86 0.00 -2.89 4.33 7.35 -0.59 -4.98 117.46 117.82 3iqe n PHE 131 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 3iqe n PHE 131 Cb 0.24 -0.04 -0.04 0.00 0.35 0.00 0.00 39.48 40.00 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 -6.21 4.45 0.00 -2.13 2.96 0.08 -4.84 118.68 112.99 3iqe s LEU 132 Ca -0.02 -0.94 0.09 0.00 -0.22 0.00 0.00 54.13 53.04 3iqe s LEU 132 Cb 0.01 -2.46 0.10 0.00 0.50 0.00 0.00 46.19 44.33 3iqe s LEU 132 CO 0.02 -1.36 0.83 -0.90 -1.32 0.00 0.00 176.35 173.62 3iqe n ASP 133 N 7.50 2.05 -0.37 3.68 5.75 -1.26 -4.68 116.55 129.23 3iqe n ASP 133 Ca -0.04 -2.51 0.05 0.00 -0.01 0.00 0.00 54.79 52.28 3iqe n ASP 133 Cb 0.45 -0.45 0.21 0.00 -1.03 0.00 0.00 41.12 40.30 3iqe n ASP 133 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3iqe h PRO 134 N 0.00 1.06 -0.40 0.11 0.11 -2.00 -1.43 132.00 129.45 3iqe h PRO 134 Ca -0.28 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 3iqe h PRO 134 Cb 1.26 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3iqe h PRO 134 CO 0.39 0.70 0.11 0.28 -0.21 0.00 0.00 178.00 179.27 3iqe h VAL 135 N 1.09 1.22 -0.55 3.15 2.07 -1.98 -1.91 116.25 119.35 3iqe h VAL 135 Ca 0.46 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3iqe h VAL 135 Cb 0.32 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3iqe h VAL 135 CO -0.22 0.26 0.36 -0.08 0.02 0.00 0.00 177.57 177.91 3iqe h GLU 136 N 0.50 0.71 -0.70 1.57 4.57 -1.80 -1.03 114.58 118.40 3iqe h GLU 136 Ca 0.13 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.33 3iqe h GLU 136 Cb 0.28 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 3iqe h GLU 136 CO -0.00 0.47 0.39 1.98 -1.18 0.00 0.00 179.01 180.67 3iqe h MET 137 N 0.73 0.69 -0.50 1.92 4.05 -1.03 -0.64 114.93 120.16 3iqe h MET 137 Ca 0.20 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.50 3iqe h MET 137 Cb -0.08 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.55 3iqe h MET 137 CO -0.05 0.46 0.02 0.00 0.23 0.00 0.00 176.91 177.57 3iqe h ALA 138 N 1.37 0.67 -0.67 0.39 0.00 -1.01 -1.26 119.26 118.74 3iqe h ALA 138 Ca 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3iqe h ALA 138 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3iqe h ALA 138 CO -0.19 0.47 0.36 0.82 0.00 0.00 0.00 179.25 180.70 3iqe h ILE 139 N 0.74 1.21 -0.21 0.00 2.04 -0.62 -0.72 117.51 119.95 3iqe h ILE 139 Ca 0.14 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3iqe h ILE 139 Cb 0.49 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3iqe h ILE 139 CO 0.02 0.24 0.13 0.22 0.00 0.00 0.00 178.15 178.76 3iqe h TYR 140 N 0.92 0.27 -0.56 1.37 3.20 -1.04 -1.73 116.97 119.40 3iqe h TYR 140 Ca 0.24 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.16 3iqe h TYR 140 Cb 0.06 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3iqe h TYR 140 CO -0.00 0.21 0.37 -0.91 -1.64 0.00 0.00 178.16 176.19 3iqe h ASN 141 N 0.25 0.48 -0.39 -2.11 2.35 -0.73 -0.90 115.58 114.53 3iqe h ASN 141 Ca 0.07 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3iqe h ASN 141 Cb 0.02 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3iqe h ASN 141 CO -0.01 0.32 0.04 0.00 -1.65 0.00 0.00 177.43 176.12 3iqe h ALA 142 N 1.69 0.52 -0.03 -0.83 0.00 -0.43 0.60 119.26 120.78 3iqe h ALA 142 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iqe h ALA 142 Cb 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3iqe h ALA 142 CO -0.07 0.26 -0.01 -0.44 0.00 0.00 0.00 179.25 179.00 3iqe h ASP 143 N 0.51 0.06 -0.70 0.00 3.32 -0.92 -1.87 116.42 116.81 3iqe h ASP 143 Ca 0.12 -0.36 0.06 0.00 0.02 0.00 0.00 57.03 56.86 3iqe h ASP 143 Cb 0.41 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 3iqe h ASP 143 CO 0.01 0.41 0.40 0.25 -1.72 0.00 0.00 179.24 178.59 3iqe h LEU 144 N -0.29 0.59 -0.71 1.55 5.85 -1.11 -1.30 115.31 119.90 3iqe h LEU 144 Ca 0.01 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3iqe h LEU 144 Cb 0.38 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3iqe h LEU 144 CO 0.00 0.38 0.44 -0.03 -0.34 0.00 0.00 178.44 178.89 3iqe h MET 145 N 0.73 0.83 -0.49 1.25 4.05 -0.73 -0.04 114.93 120.53 3iqe h MET 145 Ca 0.32 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.70 3iqe h MET 145 Cb 0.20 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 3iqe h MET 145 CO -0.19 0.55 0.30 -0.22 0.23 0.00 0.00 176.91 177.58 3iqe h LYS 146 N 0.86 0.59 0.05 0.39 1.63 -0.99 -0.70 116.57 118.39 3iqe h LYS 146 Ca 0.29 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3iqe h LYS 146 Cb 0.03 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 3iqe h LYS 146 CO -0.11 0.39 -0.03 0.28 -3.45 0.00 0.00 179.45 176.53 3iqe h VAL 147 N 0.61 1.05 -0.02 2.00 2.07 -0.50 0.47 116.25 121.93 3iqe h VAL 147 Ca 0.19 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3iqe h VAL 147 Cb -0.01 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3iqe h VAL 147 CO -0.08 0.09 -0.15 -0.07 0.02 0.00 0.00 177.57 177.38 3iqe h LEU 148 N -0.22 0.03 0.00 2.57 3.38 -0.91 -2.54 115.31 117.62 3iqe h LEU 148 Ca -0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3iqe h LEU 148 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3iqe h LEU 148 CO 0.01 0.18 -0.28 0.00 0.09 0.00 0.00 178.44 178.44 3iqe h ALA 149 N 1.83 0.06 0.00 1.53 0.00 -1.06 -0.55 119.26 121.07 3iqe h ALA 149 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3iqe h ALA 149 Cb 0.28 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3iqe h ALA 149 CO 0.02 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3iqe h ALA 150 N -0.20 1.00 -0.00 0.00 0.00 -0.90 -2.49 119.26 116.67 3iqe h ALA 150 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iqe h ALA 150 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3iqe h ALA 150 CO -0.05 0.00 -0.33 0.25 0.00 0.00 0.00 179.25 179.12 3iqe n THR 151 N -2.86 0.00 -0.39 0.00 -2.24 -0.96 -4.70 114.28 103.12 3iqe n THR 151 Ca 0.03 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3iqe n THR 151 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3iqe n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iqe n GLY 152 N 1.50 0.76 0.35 3.38 0.00 -0.94 -4.97 105.19 105.27 3iqe n GLY 152 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 1.24 0.00 1.61 2.07 -1.44 -2.57 116.25 117.16 3iqe h VAL 153 Ca 0.00 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 3iqe h VAL 153 Cb 0.00 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3iqe h VAL 153 CO 0.00 0.27 -0.38 -0.26 0.02 0.00 0.00 177.57 177.23 3iqe h PHE 154 N 1.12 0.00 -0.12 1.57 0.05 -1.43 -0.64 116.94 117.49 3iqe h PHE 154 Ca 0.28 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.97 3iqe h PHE 154 Cb 0.05 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.99 3iqe h PHE 154 CO 0.01 0.38 -0.39 -0.09 -0.18 0.00 0.00 178.31 178.04 3iqe h ARG 155 N 0.00 0.25 -0.38 1.51 2.43 -1.74 0.84 114.38 117.31 3iqe h ARG 155 Ca -0.00 -0.12 -0.16 0.00 -0.81 0.00 0.00 59.98 58.89 3iqe h ARG 155 Cb 0.70 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3iqe h ARG 155 CO 0.05 0.61 -0.39 0.28 -1.51 0.00 0.00 179.97 179.01 3iqe h VAL 156 N 0.21 1.27 -0.34 0.20 2.07 -0.86 -2.16 116.25 116.65 3iqe h VAL 156 Ca 0.02 -1.57 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 3iqe h VAL 156 Cb 0.79 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3iqe h VAL 156 CO 0.06 0.52 -0.00 0.58 0.02 0.00 0.00 177.57 178.76 3iqe h VAL 157 N 0.75 1.26 -0.51 2.57 2.07 -1.16 -2.33 116.25 118.89 3iqe h VAL 157 Ca 0.06 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.65 3iqe h VAL 157 Cb 0.99 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 3iqe h VAL 157 CO 0.10 0.32 0.27 -0.61 0.02 0.00 0.00 177.57 177.67 3iqe h GLN 158 N 0.41 0.52 -0.53 1.57 4.15 -0.76 -2.13 115.11 118.34 3iqe h GLN 158 Ca 0.10 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 3iqe h GLN 158 Cb 0.45 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 3iqe h GLN 158 CO 0.02 0.34 -0.04 0.93 -1.93 0.00 0.00 178.83 178.15 3iqe h GLU 159 N 0.53 0.94 -0.61 1.69 5.08 -1.30 -0.78 114.58 120.13 3iqe h GLU 159 Ca 0.22 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3iqe h GLU 159 Cb 0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3iqe h GLU 159 CO -0.14 0.95 0.14 0.00 -1.00 0.00 0.00 179.01 178.96 3iqe h ALA 160 N 1.09 1.08 -0.05 3.43 0.00 -1.00 -0.88 119.26 122.93 3iqe h ALA 160 Ca 0.15 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 3iqe h ALA 160 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iqe h ALA 160 CO 0.03 0.61 -0.77 0.74 0.00 0.00 0.00 179.25 179.86 3iqe h PHE 161 N 0.92 0.50 -0.28 0.00 0.05 -1.26 -2.62 116.94 114.25 3iqe h PHE 161 Ca 0.20 -0.23 -0.10 0.00 3.82 0.00 0.00 57.97 61.66 3iqe h PHE 161 Cb 0.35 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 3iqe h PHE 161 CO 0.02 1.00 -0.24 -0.44 -0.18 0.00 0.00 178.31 178.47 3iqe h ASP 162 N 0.24 0.53 -0.51 2.17 3.45 -0.76 -0.43 116.42 121.10 3iqe h ASP 162 Ca -0.04 -0.18 -0.07 0.00 0.43 0.00 0.00 57.03 57.18 3iqe h ASP 162 Cb 1.35 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.96 3iqe h ASP 162 CO 0.13 0.76 0.06 -0.08 -1.57 0.00 0.00 179.24 178.54 3iqe h GLU 163 N 0.47 0.87 -0.57 3.56 4.81 -1.15 -1.69 114.58 120.87 3iqe h GLU 163 Ca 0.07 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 3iqe h GLU 163 Cb 0.67 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3iqe h GLU 163 CO 0.05 0.87 0.31 1.25 -0.73 0.00 0.00 179.01 180.76 3iqe h LEU 164 N 0.74 0.72 -0.79 1.64 5.85 -1.04 -2.47 115.31 119.96 3iqe h LEU 164 Ca 0.15 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3iqe h LEU 164 Cb 0.43 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3iqe h LEU 164 CO 0.01 0.61 0.41 0.40 -0.34 0.00 0.00 178.44 179.53 3iqe h ILE 165 N 0.77 1.24 -0.69 4.05 2.04 -1.02 0.17 117.51 124.07 3iqe h ILE 165 Ca 0.20 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3iqe h ILE 165 Cb 0.05 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 3iqe h ILE 165 CO -0.03 0.28 0.37 -0.33 0.00 0.00 0.00 178.15 178.43 3iqe h GLU 166 N 1.11 0.95 -0.01 2.37 4.39 -1.03 -2.48 114.58 119.88 3iqe h GLU 166 Ca 0.28 -0.11 -0.17 0.00 0.34 0.00 0.00 59.36 59.70 3iqe h GLU 166 Cb 0.07 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3iqe h GLU 166 CO -0.04 0.71 -0.78 0.87 -1.16 0.00 0.00 179.01 178.61 3iqe h LYS 167 N 0.96 0.15 -0.00 2.33 1.57 -0.95 -2.68 116.57 117.95 3iqe h LYS 167 Ca 0.24 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3iqe h LYS 167 Cb 0.04 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3iqe h LYS 167 CO -0.04 0.85 0.00 0.00 -0.57 0.00 0.00 179.45 179.70 3iqe h ALA 168 N 1.10 1.76 0.00 3.86 0.00 -0.32 -2.31 119.26 123.35 3iqe h ALA 168 Ca -0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3iqe h ALA 168 Cb 1.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3iqe h ALA 168 CO 0.11 -0.00 -0.27 0.87 0.00 0.00 0.00 179.25 179.96 3iqe h LYS 169 N 0.00 0.00 -0.85 0.00 1.57 -1.09 -1.35 116.57 114.85 3iqe h LYS 169 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3iqe h LYS 169 Cb 0.01 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.23 3iqe h LYS 169 CO -0.00 0.27 0.20 0.39 -0.57 0.00 0.00 179.45 179.73 3iqe n GLU 170 N -3.20 2.82 -1.00 3.15 -0.58 -0.88 -4.93 120.64 116.03 3iqe n GLU 170 Ca 0.02 -2.06 -0.00 0.00 -0.42 0.00 0.00 57.16 54.70 3iqe n GLU 170 Cb 0.60 -1.91 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 -0.03 -0.02 -2.81 1.62 4.64 -0.51 -4.91 116.55 114.53 3iqe n ASP 171 Ca 0.28 -0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.69 3iqe n ASP 171 Cb 1.06 -0.00 0.01 0.00 -1.04 0.00 0.00 41.12 41.15 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 -0.01 0.36 -0.57 -0.67 2.02 -1.23 -5.07 118.70 113.53 3iqe s GLU 172 Ca 0.00 -0.21 -0.23 0.00 0.02 0.00 0.00 54.97 54.55 3iqe s GLU 172 Cb -0.00 0.02 0.05 0.00 0.10 0.00 0.00 34.13 34.30 3iqe s GLU 172 CO 0.00 -0.49 0.88 0.42 0.02 0.00 0.00 175.26 176.09 3iqe s ILE 173 N 1.61 4.47 0.47 -1.63 1.01 -1.26 -4.88 121.20 120.99 3iqe s ILE 173 Ca 0.18 -0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.63 3iqe s ILE 173 Cb 0.04 -4.53 -0.08 0.00 0.01 0.00 0.00 42.46 37.90 3iqe s ILE 173 CO -0.12 -1.13 0.93 -0.94 0.00 0.00 0.00 174.94 173.68 3iqe s SER 174 N 3.01 6.69 0.66 3.58 1.04 -1.26 -4.88 113.70 122.55 3iqe s SER 174 Ca 0.25 1.52 0.29 0.00 0.48 0.00 0.00 55.95 58.49 3iqe s SER 174 Cb -0.15 -2.48 1.56 0.00 0.10 0.00 0.00 66.02 65.05 3iqe s SER 174 CO 0.16 -0.48 1.88 -0.33 0.98 0.00 0.00 173.24 175.44 3iqe h GLU 175 N 1.29 0.00 0.00 4.02 5.08 -1.96 1.79 114.58 124.80 3iqe h GLU 175 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3iqe h GLU 175 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3iqe h GLU 175 CO 0.62 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.72 3iqe h ASN 176 N 0.00 0.00 1.30 1.42 2.35 -1.97 -2.90 115.58 115.77 3iqe h ASN 176 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3iqe h ASN 176 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3iqe h ASN 176 CO -0.00 0.00 -0.36 0.44 -1.65 0.00 0.00 177.43 175.86 3iqe h ASP 177 N 0.00 0.00 -3.34 5.81 3.45 0.24 -3.47 116.42 119.11 3iqe h ASP 177 Ca 0.00 -0.07 -0.53 0.00 0.43 0.00 0.00 57.03 56.86 3iqe h ASP 177 Cb 0.50 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.28 3iqe h ASP 177 CO 0.00 0.04 0.54 -0.76 -1.57 0.00 0.00 179.24 177.48 3iqe s LEU 178 N -4.86 4.41 0.52 1.55 1.43 -1.10 -4.78 118.68 115.85 3iqe s LEU 178 Ca 0.07 2.07 -0.22 0.00 -1.03 0.00 0.00 54.13 55.02 3iqe s LEU 178 Cb 0.11 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 3iqe s LEU 178 CO 0.68 -0.39 1.25 -0.81 0.23 0.00 0.00 176.35 177.31 3iqe n PRO 179 N 3.29 1.57 -3.38 1.29 -0.04 -1.26 -4.87 135.00 131.61 3iqe n PRO 179 Ca 0.07 0.57 -0.26 0.00 -0.04 0.00 0.00 63.50 63.84 3iqe n PRO 179 Cb 0.46 -2.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.40 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 -0.74 0.74 -4.29 0.54 5.02 -1.23 -0.70 118.16 117.51 3iqe n LYS 180 Ca 0.10 -3.45 -0.33 0.00 -2.02 0.00 0.00 58.31 52.60 3iqe n LYS 180 Cb 0.44 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.74 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 -0.75 3.60 -0.17 -0.35 1.43 0.11 -4.95 118.68 117.60 3iqe s LEU 181 Ca 0.33 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 3iqe s LEU 181 Cb 0.09 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3iqe s LEU 181 CO -0.15 0.31 -0.19 -0.69 0.23 0.00 0.00 176.35 175.86 3iqe s VAL 182 N -1.03 1.96 -0.14 -1.59 1.01 -1.26 -0.15 120.40 119.19 3iqe s VAL 182 Ca 0.18 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3iqe s VAL 182 Cb -0.12 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 3iqe s VAL 182 CO 0.08 0.53 -0.08 -0.63 0.00 0.00 0.00 175.10 174.99 3iqe s ILE 183 N 1.24 3.45 0.12 2.22 1.01 0.32 -4.94 121.20 124.62 3iqe s ILE 183 Ca 0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 3iqe s ILE 183 Cb -0.13 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.85 3iqe s ILE 183 CO -0.11 0.51 0.17 -0.90 0.00 0.00 0.00 174.94 174.61 3iqe n ASP 184 N 3.57 -0.48 -0.38 3.58 5.68 -1.26 -1.52 116.55 125.75 3iqe n ASP 184 Ca -0.18 -1.60 -0.01 0.00 -0.50 0.00 0.00 54.79 52.50 3iqe n ASP 184 Cb 0.53 0.88 0.04 0.00 -1.14 0.00 0.00 41.12 41.42 3iqe n ASP 184 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3iqe n ARG 185 N -0.19 -0.23 0.00 0.11 0.63 -1.26 -1.26 116.66 114.47 3iqe n ARG 185 Ca -0.00 1.50 0.06 0.00 -0.92 0.00 0.00 57.85 58.49 3iqe n ARG 185 Cb 0.19 -2.23 0.25 0.00 0.45 0.00 0.00 32.46 31.12 3iqe n ARG 185 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3iqe n ASN 186 N -5.44 0.00 -0.03 6.15 3.02 -1.26 -2.63 115.26 115.07 3iqe n ASN 186 Ca 0.10 0.48 0.08 0.00 -0.03 0.00 0.00 54.58 55.21 3iqe n ASN 186 Cb 0.39 -0.49 0.47 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.00 0.00 3.41 2.02 -1.54 -1.34 112.91 116.45 3iqe h THR 187 Ca 0.00 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 3iqe h THR 187 Cb 0.19 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3iqe h THR 187 CO 0.00 0.09 -0.11 -0.07 0.37 0.00 0.00 175.52 175.79 3iqe h LEU 188 N 0.47 0.00 -1.93 2.58 3.38 -1.67 -2.11 115.31 116.02 3iqe h LEU 188 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3iqe h LEU 188 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3iqe h LEU 188 CO -0.05 0.11 -0.01 -0.07 0.09 0.00 0.00 178.44 178.51 3iqe h LEU 189 N 0.00 0.00 -2.66 1.67 3.38 -1.45 -2.74 115.31 113.51 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 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iqe h LEU 189 CO 0.01 0.01 0.00 -1.84 0.09 0.00 0.00 178.44 176.72 3iqe n GLU 190 N -3.13 2.63 -4.44 1.13 0.28 -0.79 -4.97 120.64 111.35 3iqe n GLU 190 Ca -0.01 -2.34 -0.25 0.00 -0.16 0.00 0.00 57.16 54.40 3iqe n GLU 190 Cb 0.24 -1.45 -0.09 0.00 1.43 0.00 0.00 31.44 31.56 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 -1.08 1.94 -0.43 3.44 1.81 -1.03 -5.04 118.95 118.54 3iqe s ARG 191 Ca 0.38 -1.83 0.04 0.00 -1.72 0.00 0.00 55.73 52.60 3iqe s ARG 191 Cb 0.20 -1.82 0.45 0.00 -0.45 0.00 0.00 34.95 33.33 3iqe s ARG 191 CO 0.27 0.16 1.46 0.39 -0.68 0.00 0.00 175.30 176.90 3iqe n GLU 192 N -0.86 3.30 -0.11 3.54 -0.58 -1.26 -4.82 120.64 119.85 3iqe n GLU 192 Ca -0.05 -3.92 -0.08 0.00 -0.42 0.00 0.00 57.16 52.69 3iqe n GLU 192 Cb 0.63 -2.28 -0.00 0.00 -0.57 0.00 0.00 31.44 29.21 3iqe n GLU 192 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3iqe h GLU 193 N 2.19 0.47 -5.83 3.49 4.57 -1.96 -3.44 114.58 114.08 3iqe h GLU 193 Ca 0.44 -0.03 -0.67 0.00 -1.18 0.00 0.00 59.36 57.92 3iqe h GLU 193 Cb 1.22 -0.11 -0.21 0.00 -0.16 0.00 0.00 28.75 29.49 3iqe h GLU 193 CO 1.04 0.31 -0.71 -0.06 -1.18 0.00 0.00 179.01 178.42 3iqe s PHE 194 N -6.16 2.92 -0.12 0.92 0.08 -1.26 -4.56 117.98 109.79 3iqe s PHE 194 Ca -0.13 -0.17 0.15 0.00 0.12 0.00 0.00 56.93 56.90 3iqe s PHE 194 Cb 0.10 -1.78 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 3iqe s PHE 194 CO 0.72 0.15 1.10 1.49 -0.10 0.00 0.00 175.22 178.58 3iqe h GLU 195 N 5.83 0.00 -5.16 0.44 4.81 -1.85 -3.44 114.58 115.20 3iqe h GLU 195 Ca -0.41 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.21 3iqe h GLU 195 Cb 1.18 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.41 3iqe h GLU 195 CO 0.55 0.42 -0.53 1.21 -0.73 0.00 0.00 179.01 179.93 3iqe s ASN 196 N -6.11 5.90 0.40 1.04 2.47 -1.26 -4.97 114.94 112.41 3iqe s ASN 196 Ca 0.00 0.10 0.10 0.00 0.42 0.00 0.00 52.86 53.48 3iqe s ASN 196 Cb 0.08 -2.05 0.83 0.00 -1.45 0.00 0.00 41.25 38.67 3iqe s ASN 196 CO 0.79 0.11 1.94 1.55 -3.72 0.00 0.00 177.10 177.76 3iqe h PRO 197 N 7.18 0.21 -0.17 0.43 0.13 -2.00 -2.05 132.00 135.73 3iqe h PRO 197 Ca -0.38 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 3iqe h PRO 197 Cb 1.17 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3iqe h PRO 197 CO 0.68 0.34 -0.39 1.88 -0.23 0.00 0.00 178.00 180.28 3iqe h TYR 198 N 0.20 0.44 -0.75 1.56 0.05 -1.99 -1.93 116.97 114.55 3iqe h TYR 198 Ca 0.04 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.66 3iqe h TYR 198 Cb 0.34 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3iqe h TYR 198 CO 0.00 0.71 0.29 0.00 -1.05 0.00 0.00 178.16 178.12 3iqe h ALA 199 N 1.28 0.98 -0.48 3.88 0.00 -1.69 -1.09 119.26 122.15 3iqe h ALA 199 Ca 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3iqe h ALA 199 Cb 0.82 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3iqe h ALA 199 CO 0.07 0.62 0.27 1.98 0.00 0.00 0.00 179.25 182.19 3iqe h MET 200 N 1.10 0.66 0.00 0.00 1.85 -1.05 -0.29 114.93 117.20 3iqe h MET 200 Ca 0.25 -0.07 -0.19 0.00 -0.61 0.00 0.00 59.70 59.08 3iqe h MET 200 Cb 0.23 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 3iqe h MET 200 CO -0.02 0.50 -0.87 -0.39 -0.40 0.00 0.00 176.91 175.74 3iqe h VAL 201 N 0.64 1.50 -0.60 -5.77 -1.51 -1.18 0.21 116.25 109.54 3iqe h VAL 201 Ca 0.17 -2.63 0.03 0.00 -1.23 0.00 0.00 66.70 63.04 3iqe h VAL 201 Cb 0.03 2.47 -0.04 0.00 -2.13 0.00 0.00 31.29 31.61 3iqe h VAL 201 CO -0.03 0.77 0.36 0.11 -1.23 0.00 0.00 177.57 177.55 3iqe h LYS 202 N 0.10 0.69 -0.40 5.19 1.57 -1.11 0.04 116.57 122.65 3iqe h LYS 202 Ca -0.04 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3iqe h LYS 202 Cb 1.49 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 3iqe h LYS 202 CO 0.13 0.46 -0.04 0.00 -0.57 0.00 0.00 179.45 179.43 3iqe h ALA 203 N 1.27 0.55 -0.45 3.86 0.00 -0.49 -1.67 119.26 122.32 3iqe h ALA 203 Ca 0.24 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3iqe h ALA 203 Cb 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3iqe h ALA 203 CO -0.11 0.36 0.12 0.52 0.00 0.00 0.00 179.25 180.15 3iqe h MET 204 N 0.56 0.26 -0.38 0.00 2.86 -0.88 -0.01 114.93 117.34 3iqe h MET 204 Ca 0.11 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3iqe h MET 204 Cb 0.53 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3iqe h MET 204 CO 0.03 0.17 0.05 0.00 1.06 0.00 0.00 176.91 178.22 3iqe h ALA 205 N 1.33 1.38 -0.40 6.32 0.00 -0.51 -0.42 119.26 126.95 3iqe h ALA 205 Ca 0.22 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3iqe h ALA 205 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3iqe h ALA 205 CO -0.26 0.44 -0.26 0.00 0.00 0.00 0.00 179.25 179.17 3iqe h ALA 206 N 1.50 0.57 -0.62 0.00 0.00 -0.64 -1.46 119.26 118.61 3iqe h ALA 206 Ca 0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3iqe h ALA 206 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3iqe h ALA 206 CO 0.00 0.58 0.06 -0.07 0.00 0.00 0.00 179.25 179.83 3iqe h LEU 207 N 0.70 1.03 -0.33 0.00 3.38 -0.49 -0.98 115.31 118.62 3iqe h LEU 207 Ca 0.08 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.84 3iqe h LEU 207 Cb 0.83 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 3iqe h LEU 207 CO 0.07 1.05 -0.07 -0.08 0.09 0.00 0.00 178.44 179.51 3iqe h GLU 208 N 0.97 0.02 -0.37 1.13 4.57 -0.91 -0.63 114.58 119.36 3iqe h GLU 208 Ca 0.18 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.31 3iqe h GLU 208 Cb 0.49 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3iqe h GLU 208 CO 0.02 0.01 0.03 0.82 -1.18 0.00 0.00 179.01 178.72 3iqe h ILE 209 N 0.02 1.25 -0.56 2.32 2.04 -1.16 -0.68 117.51 120.73 3iqe h ILE 209 Ca 0.16 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.17 3iqe h ILE 209 Cb 0.24 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3iqe h ILE 209 CO -0.33 0.31 0.26 0.00 0.00 0.00 0.00 178.15 178.39 3iqe h ALA 210 N 0.89 0.73 -0.28 1.87 0.00 -0.94 -1.76 119.26 119.77 3iqe h ALA 210 Ca 0.11 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3iqe h ALA 210 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iqe h ALA 210 CO 0.01 -0.10 -0.31 1.49 0.00 0.00 0.00 179.25 180.34 3iqe h GLU 211 N 0.50 0.59 0.00 0.00 4.81 -0.61 -2.47 114.58 117.39 3iqe h GLU 211 Ca 0.26 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3iqe h GLU 211 Cb 0.22 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3iqe h GLU 211 CO -0.21 0.83 -0.11 -0.91 -0.73 0.00 0.00 179.01 177.88 3iqe h ASN 212 N 0.51 0.00 -0.28 1.04 2.35 -0.38 -2.74 115.58 116.08 3iqe h ASN 212 Ca 0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3iqe h ASN 212 Cb 0.78 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 3iqe h ASN 212 CO 0.06 0.11 0.13 0.58 -1.65 0.00 0.00 177.43 176.67 3iqe h VAL 213 N 0.00 1.13 -0.60 2.81 2.07 -0.85 -2.94 116.25 117.86 3iqe h VAL 213 Ca -0.00 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3iqe h VAL 213 Cb 0.27 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3iqe h VAL 213 CO 0.01 0.15 0.26 0.00 0.02 0.00 0.00 177.57 178.02 3iqe h ALA 214 N 1.70 0.78 -0.10 1.67 0.00 -1.59 -1.57 119.26 120.15 3iqe h ALA 214 Ca 0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3iqe h ALA 214 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iqe h ALA 214 CO -0.01 0.37 -0.20 -0.44 0.00 0.00 0.00 179.25 178.97 3iqe h ASP 215 N 0.83 0.16 -0.27 0.00 3.45 -1.69 -0.84 116.42 118.07 3iqe h ASP 215 Ca 0.20 -0.04 -0.14 0.00 0.43 0.00 0.00 57.03 57.48 3iqe h ASP 215 Cb 0.16 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3iqe h ASP 215 CO -0.02 0.38 -0.38 0.58 -1.57 0.00 0.00 179.24 178.22 3iqe h VAL 216 N 0.16 1.30 -0.66 -1.35 2.07 -1.31 -2.33 116.25 114.13 3iqe h VAL 216 Ca 0.03 -1.58 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 3iqe h VAL 216 Cb 0.45 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3iqe h VAL 216 CO 0.03 0.50 0.19 0.28 0.02 0.00 0.00 177.57 178.59 3iqe h SER 217 N 0.47 0.98 -0.64 0.57 0.02 -0.85 -1.62 113.55 112.48 3iqe h SER 217 Ca 0.03 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 3iqe h SER 217 Cb 0.97 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 3iqe h SER 217 CO 0.09 0.94 0.08 0.58 -1.14 0.00 0.00 176.83 177.38 3iqe h VAL 218 N 0.97 1.26 -0.55 2.27 2.07 -1.13 0.30 116.25 121.45 3iqe h VAL 218 Ca 0.21 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 3iqe h VAL 218 Cb 0.32 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3iqe h VAL 218 CO -0.00 0.39 -0.02 -0.08 0.02 0.00 0.00 177.57 177.88 3iqe h GLU 219 N 1.01 0.97 0.00 1.57 4.81 -1.19 0.58 114.58 122.34 3iqe h GLU 219 Ca 0.20 -0.32 -0.15 0.00 -0.13 0.00 0.00 59.36 58.95 3iqe h GLU 219 Cb 0.46 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3iqe h GLU 219 CO 0.02 0.99 -0.73 0.78 -0.73 0.00 0.00 179.01 179.34 3iqe h GLY 220 N 0.85 0.00 0.70 1.92 0.00 -0.92 0.10 103.07 105.73 3iqe h GLY 220 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.17 3iqe h GLY 220 CO 0.03 0.00 -1.90 0.00 0.00 0.00 0.00 176.54 174.67 3iqe n PHE 222 N -2.99 0.00 -0.04 0.00 3.72 0.19 -4.91 117.46 113.43 3iqe n PHE 222 Ca -0.22 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.11 3iqe n PHE 222 Cb 1.08 0.00 -0.02 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 -1.33 1.27 -2.02 -4.37 0.31 -0.95 -4.97 118.33 106.27 3iqe n VAL 223 Ca 0.00 0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 64.07 3iqe n VAL 223 Cb 0.04 -1.95 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 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 -2.46 4.23 0.00 5.55 2.56 0.32 -4.93 118.70 123.97 3iqe s GLU 224 Ca -0.17 2.22 0.17 0.00 0.00 0.00 0.00 54.97 57.19 3iqe s GLU 224 Cb 0.03 -3.53 -0.13 0.00 2.00 0.00 0.00 34.13 32.51 3iqe s GLU 224 CO 0.24 -0.66 0.79 1.04 -0.56 0.00 0.00 175.26 176.12 3iqe n GLN 225 N 5.29 1.41 -3.45 4.30 1.13 -1.26 -4.77 117.38 120.03 3iqe n GLN 225 Ca 0.15 -0.29 -0.41 0.00 -1.94 0.00 0.00 57.00 54.51 3iqe n GLN 225 Cb 0.41 -1.32 -0.10 0.00 0.11 0.00 0.00 30.24 29.35 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 -2.44 6.13 0.53 1.08 3.68 -1.26 -4.97 116.67 119.41 3iqe s ASP 226 Ca 0.09 -0.44 0.20 0.00 2.13 0.00 0.00 52.55 54.54 3iqe s ASP 226 Cb 0.13 -2.17 1.39 0.00 -1.45 0.00 0.00 42.92 40.82 3iqe s ASP 226 CO 0.62 -0.34 2.14 0.07 0.13 0.00 0.00 175.17 177.80 3iqe h LYS 227 N 8.52 0.00 0.00 4.34 2.10 -1.97 0.29 116.57 129.86 3iqe h LYS 227 Ca -0.30 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.34 3iqe h LYS 227 Cb 1.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3iqe h LYS 227 CO 0.69 0.05 -0.06 0.93 -2.00 0.00 0.00 179.45 179.06 3iqe h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -1.58 114.58 116.14 3iqe h GLU 228 Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 3iqe h GLU 228 Cb 0.09 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 3iqe h GLU 228 CO 0.01 0.06 -2.44 0.54 -1.00 0.00 0.00 179.01 176.17 3iqe n ARG 229 N -3.51 0.58 0.22 2.33 1.74 0.41 -4.61 116.66 113.82 3iqe n ARG 229 Ca -0.02 0.20 0.09 0.00 -0.77 0.00 0.00 57.85 57.35 3iqe n ARG 229 Cb 0.17 -1.46 0.45 0.00 -1.02 0.00 0.00 32.46 30.61 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 -0.56 0.00 0.00 -1.55 -0.00 -0.50 -1.99 116.97 112.37 3iqe h TYR 230 Ca -0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.11 3iqe h TYR 230 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.42 3iqe h TYR 230 CO -0.04 0.26 -0.00 0.28 -0.00 0.00 0.00 178.16 178.66 3iqe h VAL 231 N 0.00 1.46 -0.65 -0.90 2.07 -1.54 -1.86 116.25 114.83 3iqe h VAL 231 Ca -0.00 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3iqe h VAL 231 Cb 0.74 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 3iqe h VAL 231 CO 0.03 0.36 0.42 -0.65 0.02 0.00 0.00 177.57 177.75 3iqe h PRO 232 N -0.59 0.87 0.19 1.57 0.11 -1.77 -1.98 132.00 130.40 3iqe h PRO 232 Ca -0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3iqe h PRO 232 Cb 0.59 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3iqe h PRO 232 CO 0.00 0.59 -0.20 0.82 -0.21 0.00 0.00 178.00 179.01 3iqe h ILE 233 N 0.89 0.57 -0.56 4.15 2.04 -1.22 -1.24 117.51 122.15 3iqe h ILE 233 Ca 0.24 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 3iqe h ILE 233 Cb -0.07 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3iqe h ILE 233 CO -0.05 0.00 0.26 -0.37 0.00 0.00 0.00 178.15 178.00 3iqe h VAL 234 N -0.42 1.19 -0.81 1.67 -1.51 -1.10 -2.44 116.25 112.82 3iqe h VAL 234 Ca 0.00 -0.53 -0.04 0.00 -1.23 0.00 0.00 66.70 64.91 3iqe h VAL 234 Cb 0.40 0.48 -0.04 0.00 -2.13 0.00 0.00 31.29 30.00 3iqe h VAL 234 CO -0.05 0.22 0.36 0.00 -1.23 0.00 0.00 177.57 176.87 3iqe h ALA 235 N 1.51 1.10 -0.19 5.19 0.00 -1.15 -2.19 119.26 123.54 3iqe h ALA 235 Ca 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3iqe h ALA 235 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3iqe h ALA 235 CO -0.03 0.66 -0.06 0.66 0.00 0.00 0.00 179.25 180.48 3iqe h SER 236 N 1.17 0.26 -0.47 0.00 4.64 -0.77 -0.58 113.55 117.80 3iqe h SER 236 Ca 0.28 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 3iqe h SER 236 Cb 0.16 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3iqe h SER 236 CO -0.03 0.36 0.17 0.00 -0.87 0.00 0.00 176.83 176.47 3iqe h ALA 237 N 1.67 0.62 -0.74 5.18 0.00 -1.04 -1.70 119.26 123.24 3iqe h ALA 237 Ca 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3iqe h ALA 237 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3iqe h ALA 237 CO 0.01 0.25 0.27 0.45 0.00 0.00 0.00 179.25 180.23 3iqe h HIS 238 N 0.63 1.14 -0.89 0.00 3.86 -0.93 -2.38 115.15 116.58 3iqe h HIS 238 Ca 0.16 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3iqe h HIS 238 Cb 0.23 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 3iqe h HIS 238 CO 0.01 0.88 0.59 0.93 0.86 0.00 0.00 177.93 181.20 3iqe h GLU 239 N 1.08 1.16 -0.14 2.45 4.39 -0.97 -1.75 114.58 120.80 3iqe h GLU 239 Ca 0.24 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 3iqe h GLU 239 Cb 0.25 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3iqe h GLU 239 CO -0.02 0.77 0.08 0.52 -1.16 0.00 0.00 179.01 179.20 3iqe h MET 240 N 1.19 0.19 -1.00 2.33 2.86 -0.93 -2.48 114.93 117.09 3iqe h MET 240 Ca 0.33 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.96 3iqe h MET 240 Cb -0.12 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.45 3iqe h MET 240 CO -0.07 0.20 0.67 1.98 1.06 0.00 0.00 176.91 180.74 3iqe h MET 241 N 0.14 1.32 -0.80 1.72 1.85 -1.11 0.11 114.93 118.15 3iqe h MET 241 Ca 0.05 -0.08 0.11 0.00 -0.61 0.00 0.00 59.70 59.17 3iqe h MET 241 Cb 0.06 -0.30 -0.08 0.00 0.43 0.00 0.00 31.60 31.71 3iqe h MET 241 CO -0.01 0.87 0.43 -0.09 -0.40 0.00 0.00 176.91 177.72 3iqe h ARG 242 N 1.36 0.68 -0.02 0.39 2.43 -1.21 -0.77 114.38 117.23 3iqe h ARG 242 Ca 0.37 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.30 3iqe h ARG 242 Cb -0.16 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 3iqe h ARG 242 CO -0.08 0.45 -0.82 0.87 -1.51 0.00 0.00 179.97 178.88 3iqe h LYS 243 N 0.70 0.28 -0.96 0.20 1.79 -0.85 -2.24 116.57 115.49 3iqe h LYS 243 Ca 0.40 -0.27 0.05 0.00 -2.18 0.00 0.00 60.65 58.65 3iqe h LYS 243 Cb 0.44 0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.10 3iqe h LYS 243 CO -0.28 0.95 0.63 0.00 -1.08 0.00 0.00 179.45 179.67 3iqe h ALA 244 N 0.96 1.41 -0.42 3.86 0.00 -0.15 0.00 119.26 124.92 3iqe h ALA 244 Ca -0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3iqe h ALA 244 Cb 1.42 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3iqe h ALA 244 CO 0.13 0.47 -0.15 0.00 0.00 0.00 0.00 179.25 179.70 3iqe h ALA 245 N 1.46 0.94 -0.53 0.00 0.00 -0.90 -0.21 119.26 120.02 3iqe h ALA 245 Ca 0.39 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3iqe h ALA 245 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3iqe h ALA 245 CO -0.14 0.62 0.16 1.49 0.00 0.00 0.00 179.25 181.38 3iqe h GLU 246 N 0.71 0.82 -0.38 0.00 4.81 -0.77 0.00 114.58 119.78 3iqe h GLU 246 Ca 0.11 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3iqe h GLU 246 Cb 0.65 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 3iqe h GLU 246 CO 0.05 0.76 0.21 -0.07 -0.73 0.00 0.00 179.01 179.23 3iqe h LEU 247 N 0.73 0.33 -0.43 1.64 3.38 -0.56 -1.33 115.31 119.05 3iqe h LEU 247 Ca 0.17 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.19 3iqe h LEU 247 Cb 0.29 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3iqe h LEU 247 CO -0.00 0.24 0.20 0.00 0.09 0.00 0.00 178.44 178.96 3iqe h ALA 248 N 1.18 0.54 -0.78 1.53 0.00 -0.63 -0.52 119.26 120.58 3iqe h ALA 248 Ca 0.15 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3iqe h ALA 248 Cb 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3iqe h ALA 248 CO -0.08 -0.16 0.48 0.22 0.00 0.00 0.00 179.25 179.70 3iqe h ASP 249 N 0.41 0.77 -0.56 0.00 3.58 -0.86 -1.84 116.42 117.90 3iqe h ASP 249 Ca 0.19 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 3iqe h ASP 249 Cb 0.12 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 3iqe h ASP 249 CO -0.15 0.51 0.19 -0.33 -2.88 0.00 0.00 179.24 176.57 3iqe h GLU 250 N 0.90 0.91 0.15 0.28 5.08 -0.41 0.56 114.58 122.06 3iqe h GLU 250 Ca 0.33 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3iqe h GLU 250 Cb 0.10 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3iqe h GLU 250 CO -0.15 0.78 -0.07 0.00 -1.00 0.00 0.00 179.01 178.57 3iqe h ALA 251 N 1.32 -0.20 -0.73 3.43 0.00 -0.62 -1.00 119.26 121.46 3iqe h ALA 251 Ca 0.20 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3iqe h ALA 251 Cb 0.26 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3iqe h ALA 251 CO -0.01 -0.57 0.41 -0.09 0.00 0.00 0.00 179.25 178.99 3iqe h ARG 252 N -0.28 0.72 -0.58 0.00 2.43 -0.90 -1.36 114.38 114.41 3iqe h ARG 252 Ca -0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3iqe h ARG 252 Cb 0.22 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3iqe h ARG 252 CO 0.03 0.48 0.35 0.93 -1.51 0.00 0.00 179.97 180.25 3iqe h GLU 253 N 0.74 0.78 -0.78 0.20 4.39 -0.46 -0.39 114.58 119.06 3iqe h GLU 253 Ca 0.33 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 3iqe h GLU 253 Cb 0.23 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3iqe h GLU 253 CO -0.20 0.55 0.37 -0.07 -1.16 0.00 0.00 179.01 178.50 3iqe h LEU 254 N 0.79 1.01 -0.53 1.33 3.38 -0.06 0.20 115.31 121.43 3iqe h LEU 254 Ca 0.21 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 3iqe h LEU 254 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3iqe h LEU 254 CO -0.04 0.85 -0.15 -0.33 0.09 0.00 0.00 178.44 178.86 3iqe h GLU 255 N 1.10 1.03 -0.74 1.13 4.39 -0.92 -1.88 114.58 118.69 3iqe h GLU 255 Ca 0.27 -0.41 0.02 0.00 0.34 0.00 0.00 59.36 59.58 3iqe h GLU 255 Cb 0.11 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3iqe h GLU 255 CO -0.03 1.09 0.49 0.87 -1.16 0.00 0.00 179.01 180.27 3iqe h LYS 256 N 0.90 0.92 0.00 2.33 1.57 -0.38 -1.94 116.57 119.98 3iqe h LYS 256 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3iqe h LYS 256 Cb 0.73 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3iqe h LYS 256 CO 0.06 0.61 0.00 -1.13 -0.57 0.00 0.00 179.45 178.42 3iqe n SER 257 N -4.44 0.58 -0.59 0.86 3.41 -0.01 -1.50 113.62 111.94 3iqe n SER 257 Ca 0.09 0.66 0.06 0.00 -0.26 0.00 0.00 58.87 59.42 3iqe n SER 257 Cb 0.08 -0.78 0.17 0.00 -0.26 0.00 0.00 64.21 63.42 3iqe n SER 257 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3iqe n ASN 258 N -2.17 3.09 -3.96 4.04 3.02 -0.81 -4.97 115.26 113.51 3iqe n ASN 258 Ca 0.02 -2.48 -0.26 0.00 -0.03 0.00 0.00 54.58 51.83 3iqe n ASN 258 Cb 0.19 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.01 3iqe n ASN 258 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iqe n ASP 259 N -0.19 -0.52 -0.62 6.41 2.03 -0.56 -4.89 116.55 118.20 3iqe n ASP 259 Ca 0.14 -1.00 0.04 0.00 0.52 0.00 0.00 54.79 54.50 3iqe n ASP 259 Cb 0.59 -3.08 0.07 0.00 -0.72 0.00 0.00 41.12 37.99 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 -4.40 2.40 -2.14 -1.67 0.00 -0.79 -3.98 120.51 109.93 3iqe n ALA 260 Ca -0.29 -2.07 -0.43 0.00 0.00 0.00 0.00 53.44 50.66 3iqe n ALA 260 Cb 0.68 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.24 3.75 0.14 0.00 1.01 -1.13 -4.62 120.40 118.32 3iqe s VAL 261 Ca 0.21 0.87 -0.31 0.00 0.00 0.00 0.00 61.98 62.75 3iqe s VAL 261 Cb 0.21 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 3iqe s VAL 261 CO -0.04 -0.23 1.59 -0.22 0.00 0.00 0.00 175.10 176.20 3iqe s LEU 262 N 4.74 4.37 -0.06 3.92 2.96 -1.26 -4.33 118.68 129.02 3iqe s LEU 262 Ca 0.69 2.59 0.02 0.00 -0.22 0.00 0.00 54.13 57.21 3iqe s LEU 262 Cb -0.26 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.86 3iqe s LEU 262 CO 0.27 -0.84 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.21 3iqe s ARG 263 N 1.52 1.68 -0.50 1.98 0.52 -0.66 -5.02 118.95 118.48 3iqe s ARG 263 Ca 0.71 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 55.58 3iqe s ARG 263 Cb -0.43 -1.40 0.29 0.00 0.52 0.00 0.00 34.95 33.93 3iqe s ARG 263 CO 0.31 0.04 0.72 0.25 0.02 0.00 0.00 175.30 176.64 3iqe n THR 264 N 3.78 1.07 -2.19 0.02 -2.24 -1.26 -0.95 114.28 112.51 3iqe n THR 264 Ca -0.23 -4.80 -0.37 0.00 -2.27 0.00 0.00 64.05 56.38 3iqe n THR 264 Cb 0.52 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 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 -2.28 3.53 0.17 -0.78 0.04 -1.23 -4.66 135.00 129.79 3iqe s PRO 265 Ca 0.40 1.79 -0.25 0.00 0.04 0.00 0.00 61.00 62.98 3iqe s PRO 265 Cb 0.22 -2.25 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 3iqe s PRO 265 CO -0.08 -0.74 0.78 -1.01 0.04 0.00 0.00 177.00 175.99 3iqe s HIS 266 N -1.58 3.91 0.65 0.56 3.76 -1.26 -1.33 115.29 120.00 3iqe s HIS 266 Ca 0.68 1.64 -0.11 0.00 -0.15 0.00 0.00 55.06 57.12 3iqe s HIS 266 Cb -0.29 -2.77 -0.02 0.00 1.11 0.00 0.00 32.58 30.61 3iqe s HIS 266 CO 0.34 0.51 1.04 0.00 -0.85 0.00 0.00 174.74 175.79 3iqe s ALA 267 N -1.16 3.03 0.48 -1.40 0.00 0.64 -4.92 121.76 118.44 3iqe s ALA 267 Ca 0.36 -0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.26 3iqe s ALA 267 Cb -0.23 -3.02 1.19 0.00 0.00 0.00 0.00 23.12 21.06 3iqe s ALA 267 CO 0.26 -0.87 2.03 -1.35 0.00 0.00 0.00 175.76 175.84 3iqe h PRO 268 N -0.44 0.18 -0.03 0.00 0.11 -1.89 0.47 132.00 130.41 3iqe h PRO 268 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3iqe h PRO 268 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3iqe h PRO 268 CO 0.63 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3iqe n ASP 269 N -4.46 0.24 0.00 -2.05 5.75 -1.26 -0.85 116.55 113.92 3iqe n ASP 269 Ca 0.06 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 3iqe n ASP 269 Cb 0.35 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3iqe n ASP 269 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iqe n GLY 270 N 0.81 0.73 3.77 6.12 0.00 0.17 -4.79 105.19 112.00 3iqe n GLY 270 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3iqe n GLY 270 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iqe s LYS 271 N -0.75 4.21 -0.17 1.61 2.20 -1.25 -4.61 119.74 120.97 3iqe s LYS 271 Ca 0.00 2.43 -0.26 0.00 -0.36 0.00 0.00 55.97 57.78 3iqe s LYS 271 Cb 0.00 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.28 3iqe s LYS 271 CO 0.00 -0.43 0.87 0.08 -0.36 0.00 0.00 175.35 175.51 3iqe s VAL 272 N -0.79 4.84 0.33 4.02 1.01 -1.26 -0.26 120.40 128.30 3iqe s VAL 272 Ca 0.54 1.72 0.07 0.00 0.00 0.00 0.00 61.98 64.31 3iqe s VAL 272 Cb -0.44 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 3iqe s VAL 272 CO 0.55 -0.01 0.45 -0.76 0.00 0.00 0.00 175.10 175.33 3iqe s LEU 273 N 2.30 3.97 -0.01 3.92 1.43 -0.44 -4.97 118.68 124.88 3iqe s LEU 273 Ca 0.40 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3iqe s LEU 273 Cb -0.16 -2.72 -0.00 0.00 0.03 0.00 0.00 46.19 43.33 3iqe s LEU 273 CO 0.12 -0.41 0.05 -0.55 0.23 0.00 0.00 176.35 175.79 3iqe s SER 274 N -4.15 0.04 0.11 2.29 0.15 -1.26 -3.50 113.70 107.38 3iqe s SER 274 Ca 0.44 -0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.83 3iqe s SER 274 Cb -0.09 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 3iqe s SER 274 CO 0.31 -0.16 0.36 -1.59 1.20 0.00 0.00 173.24 173.35 3iqe s LYS 275 N -0.65 1.01 0.00 5.44 -2.85 -0.13 -2.29 119.74 120.27 3iqe s LYS 275 Ca -0.07 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.17 3iqe s LYS 275 Cb -0.04 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 3iqe s LYS 275 CO 0.00 -0.38 0.00 0.54 0.10 0.00 0.00 175.35 175.61 3iqe n ARG 276 N -0.13 0.00 -2.65 1.78 5.12 -1.26 -1.66 116.66 117.86 3iqe n ARG 276 Ca -0.16 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.37 3iqe n ARG 276 Cb 0.63 -0.67 -0.05 0.00 -1.16 0.00 0.00 32.46 31.21 3iqe n ARG 276 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3iqe s LYS 277 N -1.96 4.59 0.23 5.56 1.02 -1.26 -2.82 119.74 125.11 3iqe s LYS 277 Ca 0.00 1.53 -0.08 0.00 0.02 0.00 0.00 55.97 57.44 3iqe s LYS 277 Cb 0.00 -2.98 0.21 0.00 -0.52 0.00 0.00 37.83 34.55 3iqe s LYS 277 CO 0.00 0.25 1.89 0.35 -0.92 0.00 0.00 175.35 176.92 3iqe h PHE 278 N 3.47 1.17 -0.62 3.18 3.04 -1.92 -2.58 116.94 122.68 3iqe h PHE 278 Ca -0.47 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.49 3iqe h PHE 278 Cb 1.20 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 39.32 3iqe h PHE 278 CO 0.60 0.76 0.00 -1.33 -2.02 0.00 0.00 178.31 176.32 3iqe n MET 279 N -4.42 2.89 -3.35 1.11 2.81 -1.26 -4.91 117.12 109.98 3iqe n MET 279 Ca 0.10 -2.41 -0.34 0.00 -1.81 0.00 0.00 57.70 53.24 3iqe n MET 279 Cb 0.04 -1.64 -0.06 0.00 -0.71 0.00 0.00 33.22 30.85 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 -1.42 3.92 -0.06 0.03 2.12 -0.97 -5.07 118.70 117.25 3iqe s GLU 280 Ca 0.44 0.43 -0.27 0.00 0.36 0.00 0.00 54.97 55.93 3iqe s GLU 280 Cb 0.25 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.85 3iqe s GLU 280 CO 0.26 0.38 0.86 -0.51 -0.54 0.00 0.00 175.26 175.71 3iqe s ASP 281 N -2.03 7.17 0.33 -1.70 1.11 -1.26 -4.91 116.67 115.37 3iqe s ASP 281 Ca 0.43 1.42 -0.27 0.00 0.18 0.00 0.00 52.55 54.31 3iqe s ASP 281 Cb -0.13 -2.50 -0.13 0.00 1.07 0.00 0.00 42.92 41.23 3iqe s ASP 281 CO 0.20 -0.24 0.97 -0.81 1.18 0.00 0.00 175.17 176.46 3iqe n PRO 282 N 4.13 1.28 0.00 8.23 -0.04 -1.26 -4.86 135.00 142.49 3iqe n PRO 282 Ca 0.03 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 3iqe n PRO 282 Cb 0.51 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 3iqe n PRO 282 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85