#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqz s VAL 3 N 0.00 1.00 0.22 1.08 1.01 -1.26 -4.76 120.40 117.70 3iqz s VAL 3 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 3iqz s VAL 3 Cb 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 36.38 35.28 3iqz s VAL 3 CO 0.00 0.36 0.91 0.00 0.00 0.00 0.00 175.10 176.37 3iqz s ALA 4 N 1.61 3.36 0.04 5.51 0.00 -0.08 -4.90 121.76 127.29 3iqz s ALA 4 Ca 0.03 0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.64 3iqz s ALA 4 Cb -0.13 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 3iqz s ALA 4 CO -0.07 0.22 -0.23 0.15 0.00 0.00 0.00 175.76 175.82 3iqz s LYS 5 N -1.13 1.62 -0.00 0.00 1.02 -1.26 -1.37 119.74 118.61 3iqz s LYS 5 Ca 0.40 -1.00 -0.18 0.00 0.02 0.00 0.00 55.97 55.21 3iqz s LYS 5 Cb -0.25 -1.74 0.03 0.00 -0.52 0.00 0.00 37.83 35.35 3iqz s LYS 5 CO 0.31 0.45 0.38 0.00 -0.92 0.00 0.00 175.35 175.57 3iqz s ALA 6 N -0.77 -0.96 -0.11 5.17 0.00 -1.04 0.33 121.76 124.38 3iqz s ALA 6 Ca 0.09 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3iqz s ALA 6 Cb -0.09 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 3iqz s ALA 6 CO 0.02 -0.33 -0.14 0.42 0.00 0.00 0.00 175.76 175.73 3iqz s ILE 7 N -1.63 3.01 -0.15 0.00 1.01 -1.10 -2.03 121.20 120.31 3iqz s ILE 7 Ca -0.11 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 3iqz s ILE 7 Cb -0.03 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3iqz s ILE 7 CO 0.03 0.54 0.06 -0.36 0.00 0.00 0.00 174.94 175.21 3iqz s PHE 8 N 0.17 3.28 -0.14 3.97 0.40 0.27 -0.81 117.98 125.11 3iqz s PHE 8 Ca -0.08 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.41 3iqz s PHE 8 Cb -0.15 -1.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 3iqz s PHE 8 CO 0.05 0.30 -0.14 0.42 0.70 0.00 0.00 175.22 176.55 3iqz s ILE 9 N -0.10 2.84 -0.20 0.64 1.01 0.13 -0.92 121.20 124.60 3iqz s ILE 9 Ca 0.07 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3iqz s ILE 9 Cb -0.12 -2.20 0.04 0.00 0.01 0.00 0.00 42.46 40.19 3iqz s ILE 9 CO 0.01 0.52 -0.13 -0.54 0.00 0.00 0.00 174.94 174.80 3iqz s LYS 10 N 0.58 2.34 -0.05 2.79 1.02 -0.22 -0.52 119.74 125.69 3iqz s LYS 10 Ca -0.09 -0.91 0.02 0.00 0.02 0.00 0.00 55.97 55.02 3iqz s LYS 10 Cb -0.16 -2.51 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3iqz s LYS 10 CO 0.03 -0.38 -0.11 0.00 -0.92 0.00 0.00 175.35 173.98 3iqz n GLY 12 N 3.60 -1.96 2.91 0.00 0.00 -0.35 -4.30 105.19 105.08 3iqz n GLY 12 Ca -0.21 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 3iqz n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iqz s ASN 13 N -3.71 -0.06 0.10 1.61 2.47 -1.26 -4.65 114.94 109.44 3iqz s ASN 13 Ca 0.00 0.16 0.03 0.00 0.42 0.00 0.00 52.86 53.48 3iqz s ASN 13 Cb 0.00 0.12 -0.04 0.00 -1.45 0.00 0.00 41.25 39.88 3iqz s ASN 13 CO 0.00 -0.07 -0.09 -0.76 -3.72 0.00 0.00 177.10 172.45 3iqz s LEU 14 N 0.50 2.42 0.28 3.21 1.02 -1.26 -4.58 118.68 120.27 3iqz s LEU 14 Ca -0.04 -0.85 -0.01 0.00 0.02 0.00 0.00 54.13 53.26 3iqz s LEU 14 Cb -0.05 -0.26 0.46 0.00 0.02 0.00 0.00 46.19 46.35 3iqz s LEU 14 CO -0.02 -0.30 1.90 1.23 0.02 0.00 0.00 176.35 179.18 3iqz h GLY 15 N 3.45 1.42 1.61 -3.19 0.00 -1.94 -1.23 103.07 103.19 3iqz h GLY 15 Ca -0.37 -0.45 -0.21 0.00 0.00 0.00 0.00 47.33 46.30 3iqz h GLY 15 CO 0.55 0.33 -0.89 -0.84 0.00 0.00 0.00 176.54 175.69 3iqz h THR 16 N 1.12 1.42 0.00 4.70 2.02 -1.97 -3.11 112.91 117.09 3iqz h THR 16 Ca 0.41 -2.44 -0.12 0.00 0.77 0.00 0.00 66.41 65.03 3iqz h THR 16 Cb 0.16 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 3iqz h THR 16 CO -0.15 0.72 -0.55 0.77 0.37 0.00 0.00 175.52 176.68 3iqz h SER 17 N 0.21 0.00 0.24 4.18 4.64 -1.86 -0.43 113.55 120.53 3iqz h SER 17 Ca -0.06 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.18 3iqz h SER 17 Cb 1.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 3iqz h SER 17 CO 0.15 0.55 -0.30 -0.03 -0.87 0.00 0.00 176.83 176.33 3iqz h MET 18 N 0.00 0.11 0.00 4.77 -1.53 -1.20 -3.31 114.93 113.77 3iqz h MET 18 Ca -0.01 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.22 3iqz h MET 18 Cb 1.28 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 32.32 3iqz h MET 18 CO 0.07 0.41 -0.47 -1.33 0.14 0.00 0.00 176.91 175.73 3iqz n MET 19 N -4.14 3.77 -0.14 0.39 2.81 -1.07 -4.77 117.12 113.97 3iqz n MET 19 Ca -0.02 -0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.84 3iqz n MET 19 Cb 0.37 -0.96 0.03 0.00 -0.71 0.00 0.00 33.22 31.96 3iqz n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iqz h MET 20 N 0.00 0.02 -0.53 0.03 -0.00 -1.17 -1.76 114.93 111.52 3iqz h MET 20 Ca 0.00 -0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.60 3iqz h MET 20 Cb 0.23 -0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.80 3iqz h MET 20 CO 0.00 0.01 -0.04 0.38 -0.00 0.00 0.00 176.91 177.26 3iqz h ASP 21 N 0.02 0.92 0.88 -0.10 2.03 -1.86 -3.12 116.42 115.20 3iqz h ASP 21 Ca 0.23 -0.26 -0.06 0.00 -0.73 0.00 0.00 57.03 56.20 3iqz h ASP 21 Cb 0.34 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 3iqz h ASP 21 CO -0.46 1.00 -0.28 0.24 -1.03 0.00 0.00 179.24 178.72 3iqz h MET 22 N 0.86 0.00 0.00 4.15 2.86 -1.67 -2.53 114.93 118.60 3iqz h MET 22 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3iqz h MET 22 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3iqz h MET 22 CO 0.03 0.28 0.00 1.28 1.06 0.00 0.00 176.91 179.56 3iqz n LEU 23 N -3.46 0.38 -0.03 1.22 4.77 -0.87 -2.50 117.00 116.51 3iqz n LEU 23 Ca -0.00 0.60 0.10 0.00 -0.03 0.00 0.00 56.01 56.69 3iqz n LEU 23 Cb 0.46 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 3iqz n LEU 23 CO 0.35 -0.48 0.04 0.18 -1.33 0.00 0.00 177.39 176.15 3iqz n LEU 24 N -1.93 0.99 -2.91 2.23 4.77 -0.95 -4.61 117.00 114.59 3iqz n LEU 24 Ca 0.02 -0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 55.43 3iqz n LEU 24 Cb 0.18 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3iqz n LEU 24 CO 0.15 0.24 0.11 -0.67 -1.33 0.00 0.00 177.39 175.90 3iqz n ASP 25 N -1.42 -1.22 0.29 -1.43 2.03 -1.04 -4.99 116.55 108.77 3iqz n ASP 25 Ca 0.05 -3.40 0.17 0.00 0.52 0.00 0.00 54.79 52.12 3iqz n ASP 25 Cb 0.34 0.96 0.90 0.00 -0.72 0.00 0.00 41.12 42.61 3iqz n ASP 25 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3iqz h GLU 26 N 3.11 0.00 -0.09 -0.67 9.09 -1.81 -0.61 114.58 123.61 3iqz h GLU 26 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.38 3iqz h GLU 26 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 3iqz h GLU 26 CO 0.28 0.05 0.00 0.54 0.05 0.00 0.00 179.01 179.93 3iqz n ARG 27 N -3.48 2.96 -1.85 1.06 1.74 -1.26 -5.00 116.66 110.82 3iqz n ARG 27 Ca -0.02 -1.65 -0.19 0.00 -0.77 0.00 0.00 57.85 55.22 3iqz n ARG 27 Cb 0.16 -1.07 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 3iqz n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iqz n ALA 28 N -0.26 -0.42 -0.31 7.54 0.00 -0.24 -4.87 120.51 121.96 3iqz n ALA 28 Ca 0.03 0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.84 3iqz n ALA 28 Cb 0.30 -1.97 0.29 0.00 0.00 0.00 0.00 19.45 18.07 3iqz n ALA 28 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iqz n ASP 29 N -1.46 3.76 -4.70 0.00 5.68 -1.26 -4.95 116.55 113.62 3iqz n ASP 29 Ca -0.20 -2.00 -0.42 0.00 -0.50 0.00 0.00 54.79 51.67 3iqz n ASP 29 Cb 0.65 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 3iqz n ASP 29 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3iqz s ARG 30 N -1.02 4.43 0.00 0.11 0.52 -1.26 -4.37 118.95 117.37 3iqz s ARG 30 Ca 0.44 1.58 0.26 0.00 -0.52 0.00 0.00 55.73 57.49 3iqz s ARG 30 Cb 0.23 -3.48 0.70 0.00 0.52 0.00 0.00 34.95 32.92 3iqz s ARG 30 CO 0.30 -0.29 1.54 0.39 0.02 0.00 0.00 175.30 177.27 3iqz n GLU 31 N 4.57 1.94 -0.33 3.54 1.02 0.12 -4.36 120.64 127.14 3iqz n GLU 31 Ca 0.09 -1.38 0.08 0.00 -0.02 0.00 0.00 57.16 55.93 3iqz n GLU 31 Cb 0.48 -1.47 0.24 0.00 -0.02 0.00 0.00 31.44 30.67 3iqz n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3iqz n ASP 32 N 0.66 3.60 -3.90 1.62 3.85 -1.26 -4.83 116.55 116.28 3iqz n ASP 32 Ca 0.17 -2.23 -0.10 0.00 -0.71 0.00 0.00 54.79 51.91 3iqz n ASP 32 Cb 0.45 -0.39 -0.10 0.00 -1.35 0.00 0.00 41.12 39.73 3iqz n ASP 32 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3iqz s VAL 33 N -1.42 0.10 -0.11 2.12 -7.23 -1.26 -0.90 120.40 111.69 3iqz s VAL 33 Ca 0.36 -0.82 -0.06 0.00 -1.81 0.00 0.00 61.98 59.64 3iqz s VAL 33 Cb 0.22 -0.54 0.04 0.00 0.56 0.00 0.00 36.38 36.66 3iqz s VAL 33 CO 0.20 -0.45 0.27 -0.70 -0.31 0.00 0.00 175.10 174.10 3iqz s GLU 34 N -1.72 0.25 0.12 4.82 2.12 -0.47 -4.91 118.70 118.91 3iqz s GLU 34 Ca -0.12 0.53 0.09 0.00 0.36 0.00 0.00 54.97 55.83 3iqz s GLU 34 Cb -0.06 -0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.23 3iqz s GLU 34 CO -0.00 -0.14 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.30 3iqz s PHE 35 N 1.08 1.95 0.08 5.30 2.99 -1.26 -2.48 117.98 125.63 3iqz s PHE 35 Ca -0.08 -0.41 0.09 0.00 0.00 0.00 0.00 56.93 56.54 3iqz s PHE 35 Cb -0.09 -1.04 -0.03 0.00 0.00 0.00 0.00 43.02 41.86 3iqz s PHE 35 CO -0.07 0.28 -0.25 1.03 -0.00 0.00 0.00 175.22 176.20 3iqz s ARG 36 N -2.13 1.49 -0.07 0.44 1.81 -0.86 -5.00 118.95 114.64 3iqz s ARG 36 Ca 0.10 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 52.94 3iqz s ARG 36 Cb -0.09 -1.79 0.02 0.00 -0.45 0.00 0.00 34.95 32.64 3iqz s ARG 36 CO 0.05 0.44 -0.05 0.08 -0.68 0.00 0.00 175.30 175.14 3iqz s VAL 37 N -0.94 0.68 0.11 3.52 1.01 -1.26 -0.57 120.40 122.94 3iqz s VAL 37 Ca 0.11 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3iqz s VAL 37 Cb -0.10 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3iqz s VAL 37 CO 0.04 0.28 -0.08 0.68 0.00 0.00 0.00 175.10 176.01 3iqz s VAL 38 N 1.30 0.87 0.06 2.92 -7.23 -0.10 -4.97 120.40 113.24 3iqz s VAL 38 Ca -0.04 -1.82 -0.28 0.00 -1.81 0.00 0.00 61.98 58.02 3iqz s VAL 38 Cb -0.14 -1.56 0.09 0.00 0.56 0.00 0.00 36.38 35.34 3iqz s VAL 38 CO -0.02 -0.72 1.13 -0.83 -0.31 0.00 0.00 175.10 174.34 3iqz s GLY 39 N -2.80 -0.33 -0.25 2.32 0.00 -1.26 -1.05 107.32 103.95 3iqz s GLY 39 Ca 0.10 0.45 0.10 0.00 0.00 0.00 0.00 44.72 45.37 3iqz s GLY 39 CO -0.02 0.08 1.28 -1.30 0.00 0.00 0.00 173.10 173.13 3iqz n THR 40 N -0.47 2.35 -2.73 0.90 -2.24 -1.12 -4.94 114.28 106.03 3iqz n THR 40 Ca -0.07 -3.30 0.00 0.00 -2.27 0.00 0.00 64.05 58.41 3iqz n THR 40 Cb 0.62 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3iqz n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iqz n SER 41 N -1.06 0.00 0.14 3.42 2.88 -1.26 -2.81 113.62 114.93 3iqz n SER 41 Ca 0.26 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.93 3iqz n SER 41 Cb 0.80 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.73 3iqz n SER 41 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3iqz h VAL 42 N 0.00 0.00 -3.32 2.46 -1.51 -1.91 -0.91 116.25 111.06 3iqz h VAL 42 Ca 0.00 -0.37 -0.54 0.00 -1.23 0.00 0.00 66.70 64.56 3iqz h VAL 42 Cb 0.00 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 30.37 3iqz h VAL 42 CO 0.00 0.00 0.47 -0.54 -1.23 0.00 0.00 177.57 176.27 3iqz s LYS 43 N -3.27 4.50 -0.03 5.19 1.02 -1.12 -3.21 119.74 122.81 3iqz s LYS 43 Ca 0.06 1.50 0.08 0.00 0.02 0.00 0.00 55.97 57.64 3iqz s LYS 43 Cb 0.10 -3.46 0.15 0.00 -0.52 0.00 0.00 37.83 34.10 3iqz s LYS 43 CO 0.49 -0.17 1.07 0.00 -0.92 0.00 0.00 175.35 175.82 3iqz n MET 44 N 4.19 0.27 -1.07 1.68 0.00 -1.26 -3.97 117.12 116.96 3iqz n MET 44 Ca 0.07 -1.55 -0.30 0.00 0.00 0.00 0.00 57.70 55.93 3iqz n MET 44 Cb 0.49 -0.61 0.15 0.00 0.00 0.00 0.00 33.22 33.25 3iqz n MET 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3iqz s ASP 45 N -1.59 3.23 0.21 3.17 -4.77 -1.26 -3.89 116.67 111.77 3iqz s ASP 45 Ca 0.13 1.61 -0.17 0.00 -3.30 0.00 0.00 52.55 50.82 3iqz s ASP 45 Cb 0.14 -2.27 0.20 0.00 -1.09 0.00 0.00 42.92 39.89 3iqz s ASP 45 CO -0.03 -2.81 1.59 -0.65 0.70 0.00 0.00 175.17 173.97 3iqz h PRO 46 N -1.67 -0.09 -0.45 2.11 0.11 -1.87 -0.35 132.00 129.81 3iqz h PRO 46 Ca -0.49 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3iqz h PRO 46 Cb 1.28 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 3iqz h PRO 46 CO 0.52 -0.06 0.28 0.93 -0.21 0.00 0.00 178.00 179.46 3iqz h GLU 47 N -0.09 0.55 -0.39 1.05 3.07 -1.97 -0.23 114.58 116.57 3iqz h GLU 47 Ca 0.29 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.06 3iqz h GLU 47 Cb 0.56 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3iqz h GLU 47 CO -0.76 0.36 0.01 0.00 -1.40 0.00 0.00 179.01 177.23 3iqz h VAL 49 N 0.51 1.15 -0.83 0.00 2.07 -0.99 0.21 116.25 118.37 3iqz h VAL 49 Ca 0.11 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3iqz h VAL 49 Cb 0.46 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3iqz h VAL 49 CO 0.02 0.15 0.50 -0.08 0.02 0.00 0.00 177.57 178.17 3iqz h GLU 50 N 0.74 1.13 -0.53 1.57 4.81 -0.82 -0.38 114.58 121.10 3iqz h GLU 50 Ca 0.20 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 3iqz h GLU 50 Cb -0.07 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.05 3iqz h GLU 50 CO -0.04 0.80 0.03 0.00 -0.73 0.00 0.00 179.01 179.07 3iqz h ALA 51 N 1.27 1.05 -0.14 2.92 0.00 -0.67 -1.29 119.26 122.39 3iqz h ALA 51 Ca 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iqz h ALA 51 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3iqz h ALA 51 CO -0.06 0.60 0.05 0.00 0.00 0.00 0.00 179.25 179.85 3iqz h ALA 52 N 1.20 0.19 -0.33 0.00 0.00 -0.30 -2.04 119.26 117.97 3iqz h ALA 52 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3iqz h ALA 52 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3iqz h ALA 52 CO 0.02 -0.21 -0.11 0.28 0.00 0.00 0.00 179.25 179.23 3iqz h VAL 53 N 0.06 1.24 -0.59 0.00 2.07 -0.87 -2.13 116.25 116.02 3iqz h VAL 53 Ca 0.05 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3iqz h VAL 53 Cb 0.20 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3iqz h VAL 53 CO -0.00 0.35 0.26 -0.33 0.02 0.00 0.00 177.57 177.86 3iqz h GLU 54 N 0.52 0.87 -0.30 1.57 5.08 -1.11 0.74 114.58 121.95 3iqz h GLU 54 Ca 0.10 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3iqz h GLU 54 Cb 0.51 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 3iqz h GLU 54 CO 0.03 0.72 -0.26 0.52 -1.00 0.00 0.00 179.01 179.02 3iqz h MET 55 N 0.81 -0.23 -0.09 2.33 2.86 -1.03 0.32 114.93 119.90 3iqz h MET 55 Ca 0.20 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 3iqz h MET 55 Cb 0.16 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 3iqz h MET 55 CO -0.02 -0.15 -0.11 0.00 1.06 0.00 0.00 176.91 177.68 3iqz h ALA 56 N 0.82 -0.05 -0.77 6.32 0.00 -0.98 -1.02 119.26 123.59 3iqz h ALA 56 Ca 0.15 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3iqz h ALA 56 Cb 0.48 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3iqz h ALA 56 CO -0.44 -0.58 0.34 -0.07 0.00 0.00 0.00 179.25 178.50 3iqz h LEU 57 N -0.15 1.03 0.15 0.00 3.38 -0.53 0.26 115.31 119.45 3iqz h LEU 57 Ca 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3iqz h LEU 57 Cb 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3iqz h LEU 57 CO -0.18 0.90 -0.14 0.44 0.09 0.00 0.00 178.44 179.55 3iqz h ASP 58 N 1.09 -0.36 -0.69 -0.43 3.32 -0.13 -2.11 116.42 117.11 3iqz h ASP 58 Ca 0.26 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.38 3iqz h ASP 58 Cb 0.17 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3iqz h ASP 58 CO -0.03 -0.21 0.46 0.40 -1.72 0.00 0.00 179.24 178.14 3iqz h ILE 59 N -0.31 1.09 -0.17 0.35 2.04 -0.95 -2.51 117.51 117.05 3iqz h ILE 59 Ca 0.00 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3iqz h ILE 59 Cb 0.29 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3iqz h ILE 59 CO -0.03 0.15 0.01 0.00 0.00 0.00 0.00 178.15 178.28 3iqz h ALA 60 N 1.60 1.71 -0.47 1.87 0.00 0.18 0.59 119.26 124.73 3iqz h ALA 60 Ca 0.28 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.19 3iqz h ALA 60 Cb 0.09 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 3iqz h ALA 60 CO -0.08 0.22 -0.10 0.93 0.00 0.00 0.00 179.25 180.22 3iqz h GLU 61 N 0.24 0.02 0.09 0.00 5.08 -1.08 0.20 114.58 119.13 3iqz h GLU 61 Ca 0.06 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.09 3iqz h GLU 61 Cb 0.14 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3iqz h GLU 61 CO 0.00 0.01 -1.80 -0.44 -1.00 0.00 0.00 179.01 175.78 3iqz h ASP 62 N 0.02 0.30 -0.11 1.42 3.32 -1.65 -3.38 116.42 116.35 3iqz h ASP 62 Ca 0.23 -0.59 -0.13 0.00 0.02 0.00 0.00 57.03 56.55 3iqz h ASP 62 Cb 0.35 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3iqz h ASP 62 CO -0.47 1.52 -0.38 0.15 -1.72 0.00 0.00 179.24 178.34 3iqz h PHE 63 N 0.05 0.74 -5.82 4.55 3.57 -0.73 -3.48 116.94 115.83 3iqz h PHE 63 Ca -0.34 -0.21 -0.34 0.00 3.53 0.00 0.00 57.97 60.61 3iqz h PHE 63 Cb 2.03 -0.16 0.14 0.00 2.79 0.00 0.00 35.95 40.75 3iqz h PHE 63 CO 0.05 0.92 -0.89 0.39 -2.23 0.00 0.00 178.31 176.55 3iqz n GLU 64 N -4.04 -2.14 -2.26 1.11 1.02 0.68 -4.96 120.64 110.04 3iqz n GLU 64 Ca -0.02 0.68 -0.35 0.00 -0.02 0.00 0.00 57.16 57.46 3iqz n GLU 64 Cb 0.51 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 3iqz n GLU 64 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3iqz s PRO 65 N -5.18 3.39 0.27 3.49 0.04 -1.26 -4.84 135.00 130.91 3iqz s PRO 65 Ca 0.42 1.62 0.13 0.00 0.04 0.00 0.00 61.00 63.22 3iqz s PRO 65 Cb -0.10 -2.04 0.25 0.00 0.04 0.00 0.00 34.50 32.65 3iqz s PRO 65 CO 0.79 -0.82 1.53 -0.44 0.04 0.00 0.00 177.00 178.10 3iqz h ASP 66 N 1.27 0.00 -5.08 6.66 5.19 -0.50 -3.47 116.42 120.48 3iqz h ASP 66 Ca -0.50 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.90 3iqz h ASP 66 Cb 1.26 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.67 3iqz h ASP 66 CO 0.57 0.60 0.05 0.72 -3.12 0.00 0.00 179.24 178.06 3iqz s PHE 67 N -3.22 -0.12 -0.04 4.55 -0.12 -1.20 -4.32 117.98 113.52 3iqz s PHE 67 Ca 0.01 -0.23 0.03 0.00 -0.05 0.00 0.00 56.93 56.69 3iqz s PHE 67 Cb 0.10 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 3iqz s PHE 67 CO 0.75 -0.95 -0.13 0.42 -0.05 0.00 0.00 175.22 175.25 3iqz s ILE 68 N -3.88 1.14 -0.15 -4.49 1.01 -0.10 -2.69 121.20 112.03 3iqz s ILE 68 Ca 0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 3iqz s ILE 68 Cb -0.01 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 3iqz s ILE 68 CO -0.02 0.34 -0.05 -0.69 0.00 0.00 0.00 174.94 174.52 3iqz s VAL 69 N 0.12 3.76 -0.17 2.92 1.01 0.01 -1.25 120.40 126.80 3iqz s VAL 69 Ca -0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3iqz s VAL 69 Cb -0.10 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3iqz s VAL 69 CO 0.01 0.49 -0.02 -0.47 0.00 0.00 0.00 175.10 175.12 3iqz s TYR 70 N 0.41 3.05 -0.03 5.22 6.14 -0.17 0.22 117.35 132.19 3iqz s TYR 70 Ca -0.05 -0.31 0.02 0.00 0.64 0.00 0.00 57.07 57.38 3iqz s TYR 70 Cb -0.14 -2.01 0.01 0.00 0.42 0.00 0.00 41.96 40.24 3iqz s TYR 70 CO 0.03 -0.08 -0.08 0.20 0.64 0.00 0.00 175.55 176.26 3iqz s GLY 71 N 0.55 0.51 0.00 8.97 0.00 0.32 0.11 107.32 117.79 3iqz s GLY 71 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.43 3iqz s GLY 71 CO 0.02 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.75 3iqz n GLY 72 N 3.43 -2.52 3.76 0.20 0.00 -0.92 -2.73 105.19 106.42 3iqz n GLY 72 Ca -0.19 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 3iqz n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iqz s PRO 73 N -1.96 3.34 -0.38 1.61 0.02 -1.26 -4.28 135.00 132.09 3iqz s PRO 73 Ca 0.00 1.79 -0.31 0.00 0.02 0.00 0.00 61.00 62.50 3iqz s PRO 73 Cb 0.00 -2.13 0.05 0.00 0.02 0.00 0.00 34.50 32.44 3iqz s PRO 73 CO 0.00 -0.90 0.55 -1.71 -0.33 0.00 0.00 177.00 174.60 3iqz n ASN 74 N -1.12 -5.95 0.25 2.53 2.85 -1.26 -4.84 115.26 107.73 3iqz n ASN 74 Ca 0.11 0.03 0.16 0.00 -0.11 0.00 0.00 54.58 54.77 3iqz n ASN 74 Cb 0.49 -2.07 0.74 0.00 1.24 0.00 0.00 39.78 40.18 3iqz n ASN 74 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iqz h PRO 75 N 2.34 0.00 0.00 1.20 0.11 -1.86 -0.13 132.00 133.65 3iqz h PRO 75 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3iqz h PRO 75 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3iqz h PRO 75 CO 0.19 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 177.76 3iqz n ALA 76 N -2.02 2.73 -1.33 -0.75 0.00 -1.26 -3.53 120.51 114.35 3iqz n ALA 76 Ca 0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 3iqz n ALA 76 Cb 0.51 -1.33 0.13 0.00 0.00 0.00 0.00 19.45 18.76 3iqz n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iqz s ALA 77 N -3.04 1.62 0.15 0.00 0.00 -0.06 -4.75 121.76 115.68 3iqz s ALA 77 Ca 0.12 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 3iqz s ALA 77 Cb 0.17 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 20.18 3iqz s ALA 77 CO 0.61 -2.30 1.72 -1.35 0.00 0.00 0.00 175.76 174.45 3iqz h PRO 78 N -1.50 0.67 0.74 0.00 0.11 -1.90 0.14 132.00 130.25 3iqz h PRO 78 Ca -0.50 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.47 3iqz h PRO 78 Cb 1.30 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.30 3iqz h PRO 78 CO 0.58 0.57 -0.35 0.78 -0.21 0.00 0.00 178.00 179.36 3iqz h GLY 79 N 0.60 -1.03 1.00 -0.55 0.00 -1.84 -1.53 103.07 99.71 3iqz h GLY 79 Ca 0.16 0.38 0.11 0.00 0.00 0.00 0.00 47.33 47.98 3iqz h GLY 79 CO -0.02 -0.38 0.40 -2.55 0.00 0.00 0.00 176.54 173.99 3iqz h PRO 80 N -1.07 0.00 -0.31 4.80 0.11 -1.73 -0.72 132.00 133.08 3iqz h PRO 80 Ca -0.10 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.86 3iqz h PRO 80 Cb 0.76 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 3iqz h PRO 80 CO 0.17 0.00 -0.42 0.77 -0.21 0.00 0.00 178.00 178.31 3iqz h SER 81 N 0.00 0.82 -0.41 -2.05 0.02 -0.26 -1.86 113.55 109.81 3iqz h SER 81 Ca 0.18 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3iqz h SER 81 Cb 0.97 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 3iqz h SER 81 CO -0.00 1.13 0.24 0.50 -1.14 0.00 0.00 176.83 177.56 3iqz h LYS 82 N 0.62 0.57 -0.33 3.45 1.63 -0.13 -2.34 116.57 120.04 3iqz h LYS 82 Ca 0.05 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3iqz h LYS 82 Cb 0.98 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.47 3iqz h LYS 82 CO 0.09 0.44 0.18 0.00 -3.45 0.00 0.00 179.45 176.71 3iqz h ALA 83 N 1.10 0.41 -0.84 5.00 0.00 -1.22 -1.04 119.26 122.66 3iqz h ALA 83 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3iqz h ALA 83 Cb 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3iqz h ALA 83 CO -0.03 -0.18 0.54 0.00 0.00 0.00 0.00 179.25 179.58 3iqz h ARG 84 N 0.37 1.00 -0.10 0.00 3.08 -1.24 0.64 114.38 118.14 3iqz h ARG 84 Ca 0.13 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3iqz h ARG 84 Cb 0.02 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 3iqz h ARG 84 CO -0.07 0.66 -0.09 1.49 -1.07 0.00 0.00 179.97 180.89 3iqz h GLU 85 N 1.03 0.24 -0.98 0.04 4.57 -1.01 0.49 114.58 118.96 3iqz h GLU 85 Ca 0.34 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.43 3iqz h GLU 85 Cb 0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 3iqz h GLU 85 CO -0.13 0.64 0.65 0.52 -1.18 0.00 0.00 179.01 179.51 3iqz h MET 86 N -0.16 1.25 0.09 1.92 2.86 -1.01 0.27 114.93 120.15 3iqz h MET 86 Ca 0.02 -0.07 -0.28 0.00 -2.06 0.00 0.00 59.70 57.30 3iqz h MET 86 Cb 0.59 -0.28 0.02 0.00 0.06 0.00 0.00 31.60 31.99 3iqz h MET 86 CO 0.02 0.82 -1.18 -0.07 1.06 0.00 0.00 176.91 177.57 3iqz h LEU 87 N 1.28 0.75 -1.21 1.22 3.38 -0.73 -1.02 115.31 118.98 3iqz h LEU 87 Ca 0.37 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3iqz h LEU 87 Cb -0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3iqz h LEU 87 CO -0.10 1.50 0.16 0.00 0.09 0.00 0.00 178.44 180.09 3iqz h ALA 88 N 0.43 1.37 0.00 1.53 0.00 0.24 -2.73 119.26 120.10 3iqz h ALA 88 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3iqz h ALA 88 Cb 1.85 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3iqz h ALA 88 CO 0.22 0.46 -0.24 -0.25 0.00 0.00 0.00 179.25 179.44 3iqz n ASP 89 N -4.33 0.69 -4.50 0.00 8.00 0.93 -4.89 116.55 112.46 3iqz n ASP 89 Ca 0.04 0.37 -0.29 0.00 0.71 0.00 0.00 54.79 55.62 3iqz n ASP 89 Cb 0.18 -0.40 0.17 0.00 -0.02 0.00 0.00 41.12 41.05 3iqz n ASP 89 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3iqz s SER 90 N -4.21 2.89 0.00 -2.24 1.04 -0.41 -4.96 113.70 105.80 3iqz s SER 90 Ca 0.09 0.81 0.29 0.00 0.48 0.00 0.00 55.95 57.63 3iqz s SER 90 Cb 0.14 -1.25 1.46 0.00 0.10 0.00 0.00 66.02 66.46 3iqz s SER 90 CO 0.64 -2.92 2.01 -1.84 0.98 0.00 0.00 173.24 172.10 3iqz n GLU 91 N -3.99 0.40 -3.67 4.02 0.28 -1.26 -4.88 120.64 111.54 3iqz n GLU 91 Ca 0.09 0.01 -0.36 0.00 -0.16 0.00 0.00 57.16 56.74 3iqz n GLU 91 Cb 0.59 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.89 3iqz n GLU 91 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3iqz s TYR 92 N -2.58 3.44 0.40 -1.84 2.02 -1.26 -5.05 117.35 112.47 3iqz s TYR 92 Ca 0.27 0.44 -0.26 0.00 -0.37 0.00 0.00 57.07 57.15 3iqz s TYR 92 Cb 0.19 -2.21 -0.11 0.00 -0.40 0.00 0.00 41.96 39.44 3iqz s TYR 92 CO 0.45 0.30 1.23 -2.30 -1.57 0.00 0.00 175.55 173.66 3iqz n PRO 93 N 3.43 1.88 -3.93 -1.71 -0.02 -1.26 -4.77 135.00 128.62 3iqz n PRO 93 Ca -0.15 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 3iqz n PRO 93 Cb 0.52 -2.31 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 3iqz n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iqz s ALA 94 N -1.18 -0.07 -0.04 3.55 0.00 -1.26 -0.92 121.76 121.84 3iqz s ALA 94 Ca 0.60 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.21 3iqz s ALA 94 Cb -0.53 0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.72 3iqz s ALA 94 CO 0.59 -0.18 -0.14 0.08 0.00 0.00 0.00 175.76 176.12 3iqz s VAL 95 N -1.39 1.16 -0.22 0.00 1.01 -0.38 -1.15 120.40 119.43 3iqz s VAL 95 Ca -0.15 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3iqz s VAL 95 Cb -0.09 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3iqz s VAL 95 CO 0.00 0.35 0.08 -0.63 0.00 0.00 0.00 175.10 174.90 3iqz s ILE 96 N 0.19 4.64 -0.26 2.22 -1.09 0.42 -1.00 121.20 126.32 3iqz s ILE 96 Ca -0.05 -0.07 -0.10 0.00 -2.23 0.00 0.00 60.65 58.20 3iqz s ILE 96 Cb -0.11 -3.14 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 3iqz s ILE 96 CO 0.02 0.38 0.15 -0.63 -1.23 0.00 0.00 174.94 173.63 3iqz s ILE 97 N 1.10 5.09 0.00 2.92 -1.09 0.12 -0.46 121.20 128.88 3iqz s ILE 97 Ca 0.05 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 3iqz s ILE 97 Cb -0.14 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 3iqz s ILE 97 CO 0.03 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 3iqz n GLY 98 N 4.75 3.70 0.00 6.18 0.00 -0.49 -2.16 105.19 117.18 3iqz n GLY 98 Ca -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3iqz n GLY 98 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iqz n ASP 99 N -1.03 1.82 -0.27 1.61 3.85 -1.26 -0.91 116.55 120.37 3iqz n ASP 99 Ca 0.00 -0.69 -0.00 0.00 -0.71 0.00 0.00 54.79 53.39 3iqz n ASP 99 Cb 0.00 0.00 0.21 0.00 -1.35 0.00 0.00 41.12 39.98 3iqz n ASP 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3iqz h ALA 100 N 1.00 1.41 -0.01 2.12 0.00 -1.78 -1.06 119.26 120.95 3iqz h ALA 100 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iqz h ALA 100 Cb 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3iqz h ALA 100 CO 0.00 0.54 0.04 -1.35 0.00 0.00 0.00 179.25 178.49 3iqz h PRO 101 N 1.12 0.00 0.00 0.00 0.11 -1.96 0.72 132.00 132.00 3iqz h PRO 101 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3iqz h PRO 101 Cb -0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.99 3iqz h PRO 101 CO -0.07 0.00 0.10 0.78 -0.21 0.00 0.00 178.00 178.60 3iqz h GLY 102 N 0.00 0.00 2.00 -0.55 0.00 -1.54 -2.75 103.07 100.23 3iqz h GLY 102 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3iqz h GLY 102 CO -0.00 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.89 3iqz h LEU 103 N 0.00 0.00 -1.70 3.11 3.38 -1.02 -1.75 115.31 117.33 3iqz h LEU 103 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3iqz h LEU 103 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3iqz h LEU 103 CO 0.00 0.06 -0.16 0.11 0.09 0.00 0.00 178.44 178.54 3iqz h LYS 104 N 0.00 0.00 -0.07 1.13 1.57 -1.70 -2.80 116.57 114.69 3iqz h LYS 104 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iqz h LYS 104 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3iqz h LYS 104 CO 0.01 0.16 0.00 1.33 -0.57 0.00 0.00 179.45 180.38 3iqz n VAL 105 N -3.60 1.73 -0.18 0.50 0.24 -0.68 -4.75 118.33 111.59 3iqz n VAL 105 Ca -0.01 -1.85 -0.06 0.00 -2.04 0.00 0.00 64.34 60.37 3iqz n VAL 105 Cb 0.29 -0.04 -0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3iqz n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3iqz h LYS 106 N 0.49 -0.18 -0.62 7.34 3.64 -1.23 0.23 116.57 126.23 3iqz h LYS 106 Ca 0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3iqz h LYS 106 Cb 0.97 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 3iqz h LYS 106 CO 0.04 -0.12 0.07 -0.44 -2.27 0.00 0.00 179.45 176.73 3iqz h ASP 107 N -0.19 1.00 -0.43 4.20 3.32 -1.85 -2.38 116.42 120.09 3iqz h ASP 107 Ca 0.21 -0.25 0.07 0.00 0.02 0.00 0.00 57.03 57.09 3iqz h ASP 107 Cb 0.54 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 3iqz h ASP 107 CO -0.63 1.01 0.09 -0.08 -1.72 0.00 0.00 179.24 177.91 3iqz h GLU 108 N 0.97 0.21 -0.83 3.56 4.81 -1.79 -1.23 114.58 120.29 3iqz h GLU 108 Ca 0.19 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3iqz h GLU 108 Cb 0.46 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3iqz h GLU 108 CO 0.02 0.14 0.38 0.52 -0.73 0.00 0.00 179.01 179.34 3iqz h MET 109 N 0.22 1.20 -0.69 1.92 2.86 -0.47 0.19 114.93 120.15 3iqz h MET 109 Ca 0.21 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3iqz h MET 109 Cb 0.26 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3iqz h MET 109 CO -0.27 0.94 0.35 0.93 1.06 0.00 0.00 176.91 179.91 3iqz h GLU 110 N 1.18 0.98 -0.30 1.72 5.08 -1.19 -1.41 114.58 120.64 3iqz h GLU 110 Ca 0.28 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3iqz h GLU 110 Cb 0.15 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3iqz h GLU 110 CO -0.03 0.76 0.04 1.49 -1.00 0.00 0.00 179.01 180.27 3iqz h GLU 111 N 0.95 0.45 0.00 2.33 4.81 -0.41 -1.53 114.58 121.18 3iqz h GLU 111 Ca 0.24 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3iqz h GLU 111 Cb 0.09 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3iqz h GLU 111 CO -0.03 0.45 0.00 1.04 -0.73 0.00 0.00 179.01 179.73 3iqz n GLN 112 N -4.34 0.07 -0.98 1.92 6.02 0.57 -4.89 117.38 115.76 3iqz n GLN 112 Ca 0.01 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3iqz n GLN 112 Cb 0.20 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.85 3iqz n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iqz n GLY 113 N 0.72 0.42 3.91 1.08 0.00 -0.58 -4.77 105.19 105.98 3iqz n GLY 113 Ca 0.05 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 3iqz n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iqz s LEU 114 N 0.00 4.32 0.55 0.99 1.43 -0.59 -4.75 118.68 120.63 3iqz s LEU 114 Ca 0.00 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 3iqz s LEU 114 Cb 0.00 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.37 3iqz s LEU 114 CO 0.00 0.19 0.83 -0.83 0.23 0.00 0.00 176.35 176.77 3iqz s GLY 115 N -2.39 1.60 0.08 -3.19 0.00 -0.30 -4.32 107.32 98.80 3iqz s GLY 115 Ca 0.33 -0.80 -0.14 0.00 0.00 0.00 0.00 44.72 44.11 3iqz s GLY 115 CO 0.26 -0.55 0.33 -2.52 0.00 0.00 0.00 173.10 170.61 3iqz s TYR 116 N -2.87 -0.11 -0.17 1.90 1.13 0.78 -0.44 117.35 117.57 3iqz s TYR 116 Ca 0.52 -0.14 -0.03 0.00 -1.41 0.00 0.00 57.07 56.01 3iqz s TYR 116 Cb -0.10 0.13 0.06 0.00 -1.10 0.00 0.00 41.96 40.95 3iqz s TYR 116 CO 0.43 -0.59 0.05 0.42 -2.51 0.00 0.00 175.55 173.35 3iqz s ILE 117 N -3.25 0.31 -0.21 -3.49 1.01 0.39 -1.23 121.20 114.73 3iqz s ILE 117 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 3iqz s ILE 117 Cb 0.01 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 3iqz s ILE 117 CO -0.08 -0.19 -0.06 -0.76 0.00 0.00 0.00 174.94 173.86 3iqz s LEU 118 N 1.96 2.86 -0.41 2.97 1.43 -0.08 -1.39 118.68 126.02 3iqz s LEU 118 Ca 0.01 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 3iqz s LEU 118 Cb -0.16 -1.72 0.10 0.00 0.03 0.00 0.00 46.19 44.44 3iqz s LEU 118 CO -0.08 0.01 0.21 -0.69 0.23 0.00 0.00 176.35 176.03 3iqz s VAL 119 N 1.32 3.59 0.19 -1.59 1.01 -0.08 -0.57 120.40 124.27 3iqz s VAL 119 Ca 0.04 -1.78 -0.09 0.00 0.00 0.00 0.00 61.98 60.15 3iqz s VAL 119 Cb -0.14 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 32.99 3iqz s VAL 119 CO -0.03 -0.59 1.67 0.11 0.00 0.00 0.00 175.10 176.26 3iqz h LYS 120 N 8.18 1.10 0.00 2.72 1.57 -1.24 -2.12 116.57 126.78 3iqz h LYS 120 Ca -0.17 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3iqz h LYS 120 Cb 1.06 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3iqz h LYS 120 CO 0.71 1.03 0.00 -2.30 -0.57 0.00 0.00 179.45 178.33 3iqz n PRO 121 N -4.20 0.39 -2.75 3.15 -0.02 -1.26 -4.32 135.00 125.98 3iqz n PRO 121 Ca 0.04 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 3iqz n PRO 121 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3iqz n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iqz n ASP 122 N -1.02 5.27 -4.78 2.55 -0.08 -0.80 -4.43 116.55 113.27 3iqz n ASP 122 Ca 0.09 -3.06 -0.39 0.00 -1.51 0.00 0.00 54.79 49.92 3iqz n ASP 122 Cb 0.05 -1.51 -0.06 0.00 2.34 0.00 0.00 41.12 41.94 3iqz n ASP 122 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iqz s ALA 123 N 0.66 3.48 0.34 -1.67 0.00 -1.26 -4.74 121.76 118.57 3iqz s ALA 123 Ca 0.40 0.25 -0.27 0.00 0.00 0.00 0.00 51.96 52.34 3iqz s ALA 123 Cb 0.02 -2.87 -0.12 0.00 0.00 0.00 0.00 23.12 20.15 3iqz s ALA 123 CO 0.00 0.29 1.16 -0.12 0.00 0.00 0.00 175.76 177.09 3iqz n MET 124 N 1.84 1.76 -2.22 0.00 1.56 -1.26 -4.91 117.12 113.90 3iqz n MET 124 Ca -0.07 0.62 -0.18 0.00 -0.27 0.00 0.00 57.70 57.80 3iqz n MET 124 Cb 0.49 -2.14 0.09 0.00 2.15 0.00 0.00 33.22 33.82 3iqz n MET 124 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 3iqz n LEU 125 N 0.84 0.00 -4.06 -0.89 -0.00 -1.26 -4.52 117.00 107.12 3iqz n LEU 125 Ca 0.07 -1.73 -0.43 0.00 -0.00 0.00 0.00 56.01 53.92 3iqz n LEU 125 Cb 0.35 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 3iqz n LEU 125 CO 0.61 -0.88 1.89 0.61 -0.00 0.00 0.00 177.39 179.62 3iqz n GLY 126 N -1.15 4.21 2.68 1.47 0.00 -1.26 -4.87 105.19 106.26 3iqz n GLY 126 Ca 0.13 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 3iqz n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqz n ALA 127 N 4.89 5.91 -2.58 4.61 0.00 -1.26 -4.23 120.51 127.84 3iqz n ALA 127 Ca 0.41 -3.94 -0.32 0.00 0.00 0.00 0.00 53.44 49.59 3iqz n ALA 127 Cb 0.39 -3.33 -0.15 0.00 0.00 0.00 0.00 19.45 16.36 3iqz n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iqz s ARG 128 N 2.08 2.53 0.50 0.00 1.81 -1.26 -4.95 118.95 119.66 3iqz s ARG 128 Ca 0.49 -0.81 0.21 0.00 -1.72 0.00 0.00 55.73 53.90 3iqz s ARG 128 Cb 0.14 -2.27 1.28 0.00 -0.45 0.00 0.00 34.95 33.65 3iqz s ARG 128 CO -0.06 0.50 2.02 -0.09 -0.68 0.00 0.00 175.30 176.98 3iqz h ARG 129 N 5.73 0.11 0.00 3.54 2.43 -1.89 0.58 114.38 124.88 3iqz h ARG 129 Ca -0.39 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3iqz h ARG 129 Cb 1.16 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3iqz h ARG 129 CO 0.49 0.07 0.00 0.39 -1.51 0.00 0.00 179.97 179.41 3iqz n GLU 130 N -4.43 0.16 0.00 0.20 4.71 -1.26 -4.00 120.64 116.02 3iqz n GLU 130 Ca 0.08 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 57.67 3iqz n GLU 130 Cb 0.46 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 3iqz n GLU 130 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3iqz n PHE 131 N -2.15 0.00 -2.84 -0.32 7.35 0.00 -4.99 117.46 114.51 3iqz n PHE 131 Ca 0.02 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.28 3iqz n PHE 131 Cb 0.19 0.11 -0.04 0.00 0.35 0.00 0.00 39.48 40.09 3iqz n PHE 131 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iqz s LEU 132 N -5.49 4.40 0.00 -2.13 2.96 0.18 -4.87 118.68 113.73 3iqz s LEU 132 Ca 0.00 -1.13 0.05 0.00 -0.22 0.00 0.00 54.13 52.83 3iqz s LEU 132 Cb 0.00 -2.43 0.05 0.00 0.50 0.00 0.00 46.19 44.31 3iqz s LEU 132 CO 0.00 -1.41 0.40 -0.90 -1.32 0.00 0.00 176.35 173.12 3iqz n ASP 133 N 7.65 1.52 -0.30 3.68 5.75 -1.26 -4.69 116.55 128.90 3iqz n ASP 133 Ca 0.01 -1.99 -0.05 0.00 -0.01 0.00 0.00 54.79 52.75 3iqz n ASP 133 Cb 0.46 -0.18 0.07 0.00 -1.03 0.00 0.00 41.12 40.45 3iqz n ASP 133 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3iqz h PRO 134 N 0.00 1.21 -0.51 0.11 0.11 -2.00 -1.37 132.00 129.56 3iqz h PRO 134 Ca -0.18 -0.20 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3iqz h PRO 134 Cb 0.75 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3iqz h PRO 134 CO 0.26 0.96 0.25 0.28 -0.21 0.00 0.00 178.00 179.54 3iqz h VAL 135 N 1.19 1.19 -0.73 3.15 2.07 -1.98 -0.40 116.25 120.74 3iqz h VAL 135 Ca 0.28 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3iqz h VAL 135 Cb 0.18 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3iqz h VAL 135 CO -0.03 0.21 0.35 -0.08 0.02 0.00 0.00 177.57 178.05 3iqz h GLU 136 N 0.68 1.04 -0.48 1.57 4.57 -1.82 0.46 114.58 120.60 3iqz h GLU 136 Ca 0.18 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 3iqz h GLU 136 Cb 0.11 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3iqz h GLU 136 CO -0.02 0.80 -0.01 1.98 -1.18 0.00 0.00 179.01 180.57 3iqz h MET 137 N 1.03 0.85 -0.71 1.92 4.05 -0.78 -1.16 114.93 120.12 3iqz h MET 137 Ca 0.25 -0.28 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 3iqz h MET 137 Cb 0.10 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 3iqz h MET 137 CO -0.03 0.90 0.25 0.00 0.23 0.00 0.00 176.91 178.25 3iqz h ALA 138 N 0.92 1.09 -0.37 0.39 0.00 -0.60 -1.67 119.26 119.02 3iqz h ALA 138 Ca 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3iqz h ALA 138 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iqz h ALA 138 CO 0.03 0.63 0.06 0.82 0.00 0.00 0.00 179.25 180.78 3iqz h ILE 139 N 1.04 1.24 -0.32 0.00 2.04 -0.54 -0.05 117.51 120.93 3iqz h ILE 139 Ca 0.23 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.26 3iqz h ILE 139 Cb 0.26 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3iqz h ILE 139 CO -0.01 0.29 0.15 0.22 0.00 0.00 0.00 178.15 178.80 3iqz h TYR 140 N 0.46 0.29 -0.22 1.37 3.20 -1.18 -1.49 116.97 119.40 3iqz h TYR 140 Ca 0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3iqz h TYR 140 Cb 0.37 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3iqz h TYR 140 CO 0.02 0.15 0.14 -0.91 -1.64 0.00 0.00 178.16 175.93 3iqz h ASN 141 N 0.32 0.25 -0.18 -2.11 2.35 -0.95 0.23 115.58 115.48 3iqz h ASN 141 Ca 0.13 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 3iqz h ASN 141 Cb 0.05 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3iqz h ASN 141 CO -0.10 0.18 -0.21 0.00 -1.65 0.00 0.00 177.43 175.66 3iqz h ALA 142 N 1.86 0.27 -0.51 -0.83 0.00 -0.02 -0.29 119.26 119.74 3iqz h ALA 142 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3iqz h ALA 142 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3iqz h ALA 142 CO -0.02 0.21 0.24 -0.44 0.00 0.00 0.00 179.25 179.24 3iqz h ASP 143 N 0.11 0.68 -0.57 0.00 3.32 -0.88 -2.01 116.42 117.06 3iqz h ASP 143 Ca 0.03 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 3iqz h ASP 143 Cb 0.76 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3iqz h ASP 143 CO 0.05 0.62 -0.07 0.25 -1.72 0.00 0.00 179.24 178.38 3iqz h LEU 144 N 0.69 1.05 -1.16 1.55 5.85 -0.88 -0.52 115.31 121.88 3iqz h LEU 144 Ca 0.18 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3iqz h LEU 144 Cb 0.13 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3iqz h LEU 144 CO -0.02 1.13 0.47 -0.03 -0.34 0.00 0.00 178.44 179.66 3iqz h MET 145 N 0.95 1.04 -0.42 1.25 4.05 -0.89 0.91 114.93 121.81 3iqz h MET 145 Ca 0.15 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.41 3iqz h MET 145 Cb 0.64 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3iqz h MET 145 CO 0.04 0.72 -0.04 -0.22 0.23 0.00 0.00 176.91 177.64 3iqz h LYS 146 N 1.06 0.78 0.34 0.39 1.63 -0.67 0.07 116.57 120.17 3iqz h LYS 146 Ca 0.28 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 3iqz h LYS 146 Cb -0.06 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 3iqz h LYS 146 CO -0.05 0.87 -0.16 0.28 -3.45 0.00 0.00 179.45 176.94 3iqz h VAL 147 N 0.60 0.68 -0.20 2.00 2.07 -0.41 0.22 116.25 121.20 3iqz h VAL 147 Ca 0.11 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3iqz h VAL 147 Cb 0.55 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3iqz h VAL 147 CO 0.03 0.03 0.03 -0.07 0.02 0.00 0.00 177.57 177.61 3iqz h LEU 148 N -0.54 0.26 0.26 2.57 3.38 -0.71 -2.40 115.31 118.13 3iqz h LEU 148 Ca -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iqz h LEU 148 Cb 0.40 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iqz h LEU 148 CO 0.08 0.29 -0.12 0.00 0.09 0.00 0.00 178.44 178.77 3iqz h ALA 149 N 1.75 -0.43 0.00 1.53 0.00 -0.87 -1.48 119.26 119.76 3iqz h ALA 149 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3iqz h ALA 149 Cb 0.15 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3iqz h ALA 149 CO -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 179.25 178.80 3iqz h ALA 150 N -1.34 1.02 0.00 0.00 0.00 -0.97 -1.36 119.26 116.60 3iqz h ALA 150 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iqz h ALA 150 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3iqz h ALA 150 CO 0.06 0.05 -0.16 0.25 0.00 0.00 0.00 179.25 179.45 3iqz n THR 151 N -3.16 0.39 -0.29 0.00 -2.24 -0.91 -4.73 114.28 103.34 3iqz n THR 151 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3iqz n THR 151 Cb 0.32 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 3iqz n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iqz n GLY 152 N 1.36 0.81 0.35 3.38 0.00 -0.51 -4.98 105.19 105.60 3iqz n GLY 152 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3iqz n GLY 152 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iqz h VAL 153 N 0.00 1.26 -0.01 1.61 2.07 -1.55 -2.31 116.25 117.32 3iqz h VAL 153 Ca 0.00 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3iqz h VAL 153 Cb 0.00 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3iqz h VAL 153 CO 0.00 0.33 -0.21 -0.26 0.02 0.00 0.00 177.57 177.45 3iqz h PHE 154 N 1.18 0.01 -0.35 1.57 0.05 -1.56 -1.67 116.94 116.17 3iqz h PHE 154 Ca 0.28 -0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.96 3iqz h PHE 154 Cb 0.17 -0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.10 3iqz h PHE 154 CO 0.02 0.22 -0.24 -0.09 -0.18 0.00 0.00 178.31 178.04 3iqz h ARG 155 N 0.01 0.68 -0.50 1.51 2.43 -1.71 0.17 114.38 116.97 3iqz h ARG 155 Ca -0.00 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 3iqz h ARG 155 Cb 0.38 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3iqz h ARG 155 CO 0.03 0.86 0.17 0.28 -1.51 0.00 0.00 179.97 179.79 3iqz h VAL 156 N 0.60 1.23 0.12 0.20 2.07 -1.09 -0.61 116.25 118.76 3iqz h VAL 156 Ca 0.08 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.86 3iqz h VAL 156 Cb 0.72 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3iqz h VAL 156 CO 0.06 0.28 -0.15 0.58 0.02 0.00 0.00 177.57 178.35 3iqz h VAL 157 N 0.68 0.66 -0.55 2.57 2.07 -1.07 -2.41 116.25 118.21 3iqz h VAL 157 Ca 0.16 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.79 3iqz h VAL 157 Cb 0.26 0.66 -0.11 0.00 -1.52 0.00 0.00 31.29 30.59 3iqz h VAL 157 CO -0.01 0.00 -0.16 -0.61 0.02 0.00 0.00 177.57 176.81 3iqz h GLN 158 N -0.31 -0.03 -0.71 1.57 4.15 -0.53 -2.16 115.11 117.09 3iqz h GLN 158 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.45 3iqz h GLN 158 Cb 0.31 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 3iqz h GLN 158 CO -0.06 -0.02 0.46 0.93 -1.93 0.00 0.00 178.83 178.21 3iqz h GLU 159 N -0.03 0.91 -0.53 1.69 5.08 -1.00 -1.35 114.58 119.34 3iqz h GLU 159 Ca 0.26 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3iqz h GLU 159 Cb 0.43 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3iqz h GLU 159 CO -0.58 0.60 0.16 0.00 -1.00 0.00 0.00 179.01 178.19 3iqz h ALA 160 N 1.27 0.69 -0.27 3.43 0.00 -0.94 -1.32 119.26 122.12 3iqz h ALA 160 Ca 0.27 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3iqz h ALA 160 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3iqz h ALA 160 CO -0.07 0.36 -0.45 0.74 0.00 0.00 0.00 179.25 179.83 3iqz h PHE 161 N 0.72 0.85 -0.88 0.00 -1.00 -1.25 -2.49 116.94 112.90 3iqz h PHE 161 Ca 0.17 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 60.68 3iqz h PHE 161 Cb 0.29 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.63 3iqz h PHE 161 CO 0.02 1.02 0.55 -0.44 -1.61 0.00 0.00 178.31 177.85 3iqz h ASP 162 N 0.56 1.03 -0.61 2.17 3.45 -0.97 0.23 116.42 122.29 3iqz h ASP 162 Ca 0.04 -0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.40 3iqz h ASP 162 Cb 1.00 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.48 3iqz h ASP 162 CO 0.09 0.77 0.21 -0.33 -1.57 0.00 0.00 179.24 178.41 3iqz h GLU 163 N 1.20 0.93 -0.64 3.56 5.08 -1.19 -1.73 114.58 121.78 3iqz h GLU 163 Ca 0.32 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3iqz h GLU 163 Cb -0.09 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 3iqz h GLU 163 CO -0.06 0.82 0.07 1.25 -1.00 0.00 0.00 179.01 180.09 3iqz h LEU 164 N 0.85 1.04 -0.73 1.33 5.85 -0.92 -2.60 115.31 120.13 3iqz h LEU 164 Ca 0.20 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 3iqz h LEU 164 Cb 0.26 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3iqz h LEU 164 CO -0.01 1.05 0.24 0.40 -0.34 0.00 0.00 178.44 179.78 3iqz h ILE 165 N 1.01 1.26 -0.70 4.05 2.04 -0.35 -0.10 117.51 124.72 3iqz h ILE 165 Ca 0.19 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.20 3iqz h ILE 165 Cb 0.47 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3iqz h ILE 165 CO 0.02 0.35 0.46 -0.33 0.00 0.00 0.00 178.15 178.65 3iqz h GLU 166 N 1.08 0.79 -0.36 2.37 4.39 -1.06 -1.92 114.58 119.87 3iqz h GLU 166 Ca 0.24 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.74 3iqz h GLU 166 Cb 0.29 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3iqz h GLU 166 CO -0.01 0.52 -0.38 0.87 -1.16 0.00 0.00 179.01 178.85 3iqz h LYS 167 N 0.82 0.87 -0.40 2.33 1.79 -0.99 -2.36 116.57 118.63 3iqz h LYS 167 Ca 0.28 -0.45 0.03 0.00 -2.18 0.00 0.00 60.65 58.32 3iqz h LYS 167 Cb 0.10 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3iqz h LYS 167 CO -0.08 1.10 0.27 0.00 -1.08 0.00 0.00 179.45 179.66 3iqz h ALA 168 N 0.84 1.82 0.00 3.86 0.00 -0.51 -0.98 119.26 124.29 3iqz h ALA 168 Ca 0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3iqz h ALA 168 Cb 0.96 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3iqz h ALA 168 CO 0.09 0.14 -0.69 0.87 0.00 0.00 0.00 179.25 179.66 3iqz h LYS 169 N 0.45 0.00 0.00 0.00 1.57 -1.08 -2.02 116.57 115.49 3iqz h LYS 169 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3iqz h LYS 169 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3iqz h LYS 169 CO -0.04 0.69 0.00 0.39 -0.57 0.00 0.00 179.45 179.92 3iqz n GLU 170 N -3.38 0.15 -0.02 3.15 -0.58 -0.52 -4.91 120.64 114.53 3iqz n GLU 170 Ca 0.01 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 3iqz n GLU 170 Cb 0.77 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3iqz n GLU 170 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3iqz n ASP 171 N -1.38 0.00 -3.97 1.62 4.64 -0.49 -4.99 116.55 111.98 3iqz n ASP 171 Ca 0.07 0.00 -0.25 0.00 -1.38 0.00 0.00 54.79 53.23 3iqz n ASP 171 Cb 0.19 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.10 3iqz n ASP 171 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3iqz s GLU 172 N -0.44 1.62 -0.37 -0.67 8.01 -1.24 -5.01 118.70 120.60 3iqz s GLU 172 Ca 0.00 -0.34 -0.04 0.00 0.01 0.00 0.00 54.97 54.59 3iqz s GLU 172 Cb 0.00 -1.48 0.08 0.00 -4.31 0.00 0.00 34.13 28.42 3iqz s GLU 172 CO 0.00 -0.10 0.14 0.42 0.01 0.00 0.00 175.26 175.73 3iqz s ILE 173 N 1.12 3.47 0.61 -1.63 1.01 -1.26 -4.70 121.20 119.81 3iqz s ILE 173 Ca -0.06 -1.59 -0.05 0.00 0.00 0.00 0.00 60.65 58.96 3iqz s ILE 173 Cb -0.14 -3.15 0.03 0.00 0.01 0.00 0.00 42.46 39.20 3iqz s ILE 173 CO -0.02 -0.41 0.90 -0.94 0.00 0.00 0.00 174.94 174.48 3iqz s SER 174 N 1.65 5.34 0.52 3.58 1.04 -1.26 -4.91 113.70 119.65 3iqz s SER 174 Ca 0.02 0.51 0.23 0.00 0.48 0.00 0.00 55.95 57.19 3iqz s SER 174 Cb -0.21 -1.41 1.35 0.00 0.10 0.00 0.00 66.02 65.85 3iqz s SER 174 CO -0.01 -1.21 2.00 -0.33 0.98 0.00 0.00 173.24 174.67 3iqz h GLU 175 N -0.23 0.05 0.00 4.02 5.08 -1.98 -1.00 114.58 120.52 3iqz h GLU 175 Ca -0.45 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3iqz h GLU 175 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3iqz h GLU 175 CO 0.59 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.72 3iqz n ASN 176 N -4.40 0.54 0.02 1.42 3.02 -1.26 -2.38 115.26 112.22 3iqz n ASN 176 Ca 0.09 0.69 0.11 0.00 -0.03 0.00 0.00 54.58 55.44 3iqz n ASN 176 Cb 0.56 -0.79 -0.13 0.00 -0.61 0.00 0.00 39.78 38.81 3iqz n ASN 176 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3iqz n ASP 177 N -2.16 0.21 -4.74 6.41 10.43 -0.38 -4.95 116.55 121.37 3iqz n ASP 177 Ca 0.00 0.08 -0.41 0.00 2.57 0.00 0.00 54.79 57.03 3iqz n ASP 177 Cb 0.12 1.60 -0.03 0.00 1.84 0.00 0.00 41.12 44.65 3iqz n ASP 177 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iqz s LEU 178 N -4.74 4.43 0.52 0.64 1.43 -1.00 -4.84 118.68 115.12 3iqz s LEU 178 Ca -0.06 2.26 -0.22 0.00 -1.03 0.00 0.00 54.13 55.07 3iqz s LEU 178 Cb 0.13 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 3iqz s LEU 178 CO 0.88 -0.42 1.29 -2.16 0.23 0.00 0.00 176.35 176.17 3iqz s PRO 179 N -0.09 3.34 -0.46 1.29 0.04 -1.26 -4.82 135.00 133.05 3iqz s PRO 179 Ca 0.54 2.07 0.05 0.00 0.04 0.00 0.00 61.00 63.70 3iqz s PRO 179 Cb -0.33 -2.30 0.18 0.00 0.04 0.00 0.00 34.50 32.09 3iqz s PRO 179 CO 0.36 -0.98 0.39 1.63 0.04 0.00 0.00 177.00 178.45 3iqz n LYS 180 N -0.86 0.53 -5.08 4.56 5.02 -1.23 -0.16 118.16 120.93 3iqz n LYS 180 Ca 0.09 -3.40 -0.32 0.00 -2.02 0.00 0.00 58.31 52.66 3iqz n LYS 180 Cb 0.46 -1.73 -0.15 0.00 -0.02 0.00 0.00 35.03 33.59 3iqz n LYS 180 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iqz s LEU 181 N -0.34 2.41 -0.19 -0.35 1.43 -0.37 -4.98 118.68 116.29 3iqz s LEU 181 Ca 0.32 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3iqz s LEU 181 Cb 0.04 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.84 3iqz s LEU 181 CO -0.18 0.32 -0.17 -0.69 0.23 0.00 0.00 176.35 175.86 3iqz s VAL 182 N -0.59 1.98 -0.14 -1.59 1.01 -1.26 -0.90 120.40 118.91 3iqz s VAL 182 Ca 0.09 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3iqz s VAL 182 Cb -0.11 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3iqz s VAL 182 CO 0.00 0.40 -0.05 -0.63 0.00 0.00 0.00 175.10 174.83 3iqz s ILE 183 N 1.30 3.81 0.04 2.22 1.01 0.27 -4.93 121.20 124.92 3iqz s ILE 183 Ca 0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 3iqz s ILE 183 Cb -0.14 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.68 3iqz s ILE 183 CO -0.11 0.51 0.08 -0.90 0.00 0.00 0.00 174.94 174.52 3iqz n ASP 184 N 3.30 -0.23 -0.32 3.58 5.68 -1.26 -0.74 116.55 126.56 3iqz n ASP 184 Ca -0.18 -1.19 0.14 0.00 -0.50 0.00 0.00 54.79 53.07 3iqz n ASP 184 Cb 0.53 0.39 0.32 0.00 -1.14 0.00 0.00 41.12 41.22 3iqz n ASP 184 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3iqz h ARG 185 N 0.00 0.49 0.00 0.11 2.43 -1.88 -0.32 114.38 115.22 3iqz h ARG 185 Ca -0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3iqz h ARG 185 Cb 0.14 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3iqz h ARG 185 CO 0.05 0.33 0.00 0.09 -1.51 0.00 0.00 179.97 178.92 3iqz n ASN 186 N -4.95 0.79 -0.15 -3.80 3.02 -1.26 -2.69 115.26 106.21 3iqz n ASN 186 Ca 0.23 0.62 0.10 0.00 -0.03 0.00 0.00 54.58 55.50 3iqz n ASN 186 Cb 0.65 -0.82 0.43 0.00 -0.61 0.00 0.00 39.78 39.43 3iqz n ASN 186 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3iqz h THR 187 N 0.00 0.93 0.00 3.41 2.02 -1.40 -1.22 112.91 116.65 3iqz h THR 187 Ca 0.00 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3iqz h THR 187 Cb 0.58 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3iqz h THR 187 CO 0.00 0.11 -0.10 -0.07 0.37 0.00 0.00 175.52 175.83 3iqz h LEU 188 N 0.59 0.00 -1.85 2.58 3.38 -1.67 -2.60 115.31 115.74 3iqz h LEU 188 Ca 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 3iqz h LEU 188 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3iqz h LEU 188 CO -0.11 0.10 -0.14 -0.07 0.09 0.00 0.00 178.44 178.32 3iqz h LEU 189 N 0.00 0.00 -1.61 1.67 3.38 -1.43 -2.32 115.31 115.00 3iqz h LEU 189 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqz h LEU 189 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3iqz h LEU 189 CO 0.01 0.14 0.00 -0.62 0.09 0.00 0.00 178.44 178.06 3iqz n GLU 190 N -3.77 2.02 -4.69 1.13 1.02 -0.98 -4.96 120.64 110.42 3iqz n GLU 190 Ca -0.02 -1.58 -0.30 0.00 -0.02 0.00 0.00 57.16 55.24 3iqz n GLU 190 Cb 0.24 -1.37 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 3iqz n GLU 190 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3iqz s ARG 191 N -1.46 2.08 -0.22 3.49 0.52 -0.87 -5.05 118.95 117.44 3iqz s ARG 191 Ca 0.31 -2.27 0.11 0.00 -0.52 0.00 0.00 55.73 53.36 3iqz s ARG 191 Cb 0.16 -1.46 0.43 0.00 0.52 0.00 0.00 34.95 34.60 3iqz s ARG 191 CO 0.22 -0.27 1.21 0.39 0.02 0.00 0.00 175.30 176.87 3iqz n GLU 192 N -1.12 2.01 -0.11 3.54 -0.58 -1.26 -4.86 120.64 118.25 3iqz n GLU 192 Ca -0.13 -3.45 -0.05 0.00 -0.42 0.00 0.00 57.16 53.11 3iqz n GLU 192 Cb 0.67 -1.68 0.03 0.00 -0.57 0.00 0.00 31.44 29.88 3iqz n GLU 192 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3iqz h GLU 193 N 1.34 0.17 -5.41 3.49 4.57 -1.97 -3.42 114.58 113.35 3iqz h GLU 193 Ca 0.08 -0.01 -0.64 0.00 -1.18 0.00 0.00 59.36 57.61 3iqz h GLU 193 Cb 1.21 -0.04 -0.19 0.00 -0.16 0.00 0.00 28.75 29.57 3iqz h GLU 193 CO 0.21 0.11 -0.63 -0.06 -1.18 0.00 0.00 179.01 177.46 3iqz s PHE 194 N -6.17 3.12 0.18 0.92 0.08 -1.26 -4.62 117.98 110.23 3iqz s PHE 194 Ca -0.13 -0.10 0.03 0.00 0.12 0.00 0.00 56.93 56.85 3iqz s PHE 194 Cb 0.13 -1.96 0.04 0.00 -0.57 0.00 0.00 43.02 40.66 3iqz s PHE 194 CO 0.71 0.11 1.41 1.49 -0.10 0.00 0.00 175.22 178.85 3iqz h GLU 195 N 6.42 0.18 -5.38 0.44 4.22 -1.82 -3.44 114.58 115.20 3iqz h GLU 195 Ca -0.36 -0.18 -0.60 0.00 0.08 0.00 0.00 59.36 58.30 3iqz h GLU 195 Cb 1.18 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.37 3iqz h GLU 195 CO 0.64 0.91 -0.36 1.21 -2.18 0.00 0.00 179.01 179.23 3iqz s ASN 196 N -6.91 6.35 0.48 1.04 2.47 -1.26 -4.97 114.94 112.14 3iqz s ASN 196 Ca -0.03 0.40 0.28 0.00 0.42 0.00 0.00 52.86 53.93 3iqz s ASN 196 Cb 0.11 -2.16 0.87 0.00 -1.45 0.00 0.00 41.25 38.61 3iqz s ASN 196 CO 0.82 0.08 1.80 1.55 -3.72 0.00 0.00 177.10 177.63 3iqz h PRO 197 N 6.93 0.00 -0.13 0.43 0.13 -2.00 -2.05 132.00 135.31 3iqz h PRO 197 Ca -0.40 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.52 3iqz h PRO 197 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 3iqz h PRO 197 CO 0.74 0.06 -0.77 1.88 -0.23 0.00 0.00 178.00 179.68 3iqz h TYR 198 N 0.00 0.90 -0.99 1.56 0.05 -1.98 -1.68 116.97 114.84 3iqz h TYR 198 Ca -0.00 -0.40 0.16 0.00 0.05 0.00 0.00 58.73 58.54 3iqz h TYR 198 Cb 0.77 -0.14 -0.10 0.00 1.01 0.00 0.00 36.73 38.27 3iqz h TYR 198 CO 0.00 1.21 0.60 0.00 -1.05 0.00 0.00 178.16 178.92 3iqz h ALA 199 N 0.68 1.56 -0.22 3.88 0.00 -1.78 -0.78 119.26 122.61 3iqz h ALA 199 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iqz h ALA 199 Cb 1.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3iqz h ALA 199 CO 0.15 0.05 0.08 1.98 0.00 0.00 0.00 179.25 181.51 3iqz h MET 200 N 0.84 0.33 0.00 0.00 1.85 -0.85 0.52 114.93 117.62 3iqz h MET 200 Ca 0.53 -0.07 -0.11 0.00 -0.61 0.00 0.00 59.70 59.45 3iqz h MET 200 Cb 0.71 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.68 3iqz h MET 200 CO -0.34 0.40 -0.53 -0.39 -0.40 0.00 0.00 176.91 175.66 3iqz h VAL 201 N 0.19 1.23 -0.41 -5.77 -1.51 -0.94 0.49 116.25 109.53 3iqz h VAL 201 Ca 0.07 -1.90 -0.06 0.00 -1.23 0.00 0.00 66.70 63.58 3iqz h VAL 201 Cb 0.21 2.06 -0.02 0.00 -2.13 0.00 0.00 31.29 31.41 3iqz h VAL 201 CO -0.00 0.52 0.01 0.11 -1.23 0.00 0.00 177.57 176.97 3iqz h LYS 202 N 0.00 0.72 -0.46 5.19 1.57 -1.08 -0.52 116.57 121.99 3iqz h LYS 202 Ca -0.01 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3iqz h LYS 202 Cb 1.02 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 3iqz h LYS 202 CO 0.07 0.79 0.21 0.00 -0.57 0.00 0.00 179.45 179.95 3iqz h ALA 203 N 0.90 1.50 -0.38 3.86 0.00 -0.27 -0.85 119.26 124.01 3iqz h ALA 203 Ca 0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3iqz h ALA 203 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3iqz h ALA 203 CO 0.02 0.40 -0.10 0.52 0.00 0.00 0.00 179.25 180.09 3iqz h MET 204 N 0.65 0.75 -0.95 0.00 2.86 -0.66 -2.28 114.93 115.30 3iqz h MET 204 Ca 0.16 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3iqz h MET 204 Cb 0.09 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 3iqz h MET 204 CO -0.02 0.89 0.63 0.00 1.06 0.00 0.00 176.91 179.47 3iqz h ALA 205 N 0.83 1.21 -0.67 6.32 0.00 -0.78 -0.61 119.26 125.56 3iqz h ALA 205 Ca 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3iqz h ALA 205 Cb 0.62 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3iqz h ALA 205 CO 0.04 0.60 0.19 0.00 0.00 0.00 0.00 179.25 180.08 3iqz h ALA 206 N 1.35 0.88 -0.14 0.00 0.00 -0.94 -1.51 119.26 118.91 3iqz h ALA 206 Ca 0.35 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3iqz h ALA 206 Cb -0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3iqz h ALA 206 CO -0.08 0.58 -0.47 -0.07 0.00 0.00 0.00 179.25 179.21 3iqz h LEU 207 N 0.99 0.37 -0.04 0.00 3.38 -1.00 -1.03 115.31 117.97 3iqz h LEU 207 Ca 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3iqz h LEU 207 Cb 0.33 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3iqz h LEU 207 CO -0.00 0.78 -0.01 -0.08 0.09 0.00 0.00 178.44 179.22 3iqz h GLU 208 N 0.27 0.07 -0.47 1.13 4.57 -0.94 -1.02 114.58 118.20 3iqz h GLU 208 Ca 0.02 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3iqz h GLU 208 Cb 0.93 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.47 3iqz h GLU 208 CO 0.08 0.41 0.23 0.82 -1.18 0.00 0.00 179.01 179.37 3iqz h ILE 209 N -0.27 0.96 -0.63 2.32 2.04 -1.22 -0.68 117.51 120.03 3iqz h ILE 209 Ca 0.01 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.78 3iqz h ILE 209 Cb 0.38 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 3iqz h ILE 209 CO 0.00 0.08 0.32 0.00 0.00 0.00 0.00 178.15 178.56 3iqz h ALA 210 N 1.25 0.83 -0.33 1.87 0.00 -1.16 -1.43 119.26 120.29 3iqz h ALA 210 Ca 0.20 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3iqz h ALA 210 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3iqz h ALA 210 CO -0.15 -0.04 -0.24 1.49 0.00 0.00 0.00 179.25 180.32 3iqz h GLU 211 N 0.59 0.66 0.00 0.00 4.81 -0.87 -2.34 114.58 117.42 3iqz h GLU 211 Ca 0.29 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3iqz h GLU 211 Cb 0.23 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3iqz h GLU 211 CO -0.21 0.84 -0.26 -0.91 -0.73 0.00 0.00 179.01 177.74 3iqz h ASN 212 N 0.58 0.00 -0.91 1.04 2.35 -0.33 -2.64 115.58 115.66 3iqz h ASN 212 Ca 0.08 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.98 3iqz h ASN 212 Cb 0.71 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.01 3iqz h ASN 212 CO 0.05 0.26 0.59 0.58 -1.65 0.00 0.00 177.43 177.26 3iqz h VAL 213 N 0.00 0.83 -0.66 2.81 2.07 -0.71 -2.60 116.25 117.98 3iqz h VAL 213 Ca -0.00 -0.25 0.12 0.00 0.82 0.00 0.00 66.70 67.39 3iqz h VAL 213 Cb 0.46 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 3iqz h VAL 213 CO 0.03 0.13 0.20 0.00 0.02 0.00 0.00 177.57 177.96 3iqz h ALA 214 N 1.59 0.85 -0.24 1.67 0.00 -1.54 -0.93 119.26 120.66 3iqz h ALA 214 Ca 0.46 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.38 3iqz h ALA 214 Cb 0.73 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3iqz h ALA 214 CO -0.22 -0.26 -0.32 -0.44 0.00 0.00 0.00 179.25 178.01 3iqz h ASP 215 N 0.34 0.53 -0.18 0.00 3.45 -1.64 0.15 116.42 119.08 3iqz h ASP 215 Ca 0.35 -0.20 -0.06 0.00 0.43 0.00 0.00 57.03 57.54 3iqz h ASP 215 Cb 0.52 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.14 3iqz h ASP 215 CO -0.39 0.82 -0.14 0.58 -1.57 0.00 0.00 179.24 178.54 3iqz h VAL 216 N 0.44 1.33 -0.72 -1.35 2.07 -1.45 -0.46 116.25 116.11 3iqz h VAL 216 Ca 0.05 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 3iqz h VAL 216 Cb 0.78 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 3iqz h VAL 216 CO 0.06 0.38 0.40 0.28 0.02 0.00 0.00 177.57 178.71 3iqz h SER 217 N 0.07 0.89 -0.55 0.57 0.02 -0.86 -1.25 113.55 112.44 3iqz h SER 217 Ca 0.03 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 3iqz h SER 217 Cb 0.66 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3iqz h SER 217 CO 0.04 0.73 0.14 0.58 -1.14 0.00 0.00 176.83 177.17 3iqz h VAL 218 N 0.98 1.24 -0.23 2.27 2.07 -0.59 0.13 116.25 122.12 3iqz h VAL 218 Ca 0.25 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3iqz h VAL 218 Cb 0.03 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3iqz h VAL 218 CO -0.04 0.32 0.14 -0.08 0.02 0.00 0.00 177.57 177.93 3iqz h GLU 219 N 0.78 0.30 -0.18 1.57 4.81 -0.82 0.13 114.58 121.17 3iqz h GLU 219 Ca 0.17 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 3iqz h GLU 219 Cb 0.33 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3iqz h GLU 219 CO 0.00 0.23 -0.32 0.78 -0.73 0.00 0.00 179.01 178.97 3iqz h GLY 220 N 0.29 0.39 1.10 1.92 0.00 -0.95 0.43 103.07 106.25 3iqz h GLY 220 Ca 0.08 -0.34 -0.28 0.00 0.00 0.00 0.00 47.33 46.79 3iqz h GLY 220 CO -0.02 0.31 -1.63 0.00 0.00 0.00 0.00 176.54 175.20 3iqz n PHE 222 N -3.09 0.00 0.01 0.00 3.72 0.43 -4.91 117.46 113.62 3iqz n PHE 222 Ca -0.15 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.23 3iqz n PHE 222 Cb 1.04 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.57 3iqz n PHE 222 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3iqz n VAL 223 N -1.20 1.21 -2.10 -4.37 0.31 -0.65 -5.00 118.33 106.51 3iqz n VAL 223 Ca 0.00 0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 64.24 3iqz n VAL 223 Cb 0.01 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.17 3iqz n VAL 223 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3iqz s GLU 224 N -2.15 4.31 -0.01 5.55 2.56 0.05 -4.91 118.70 124.10 3iqz s GLU 224 Ca -0.07 2.18 0.08 0.00 0.00 0.00 0.00 54.97 57.16 3iqz s GLU 224 Cb 0.01 -3.18 -0.13 0.00 2.00 0.00 0.00 34.13 32.83 3iqz s GLU 224 CO 0.11 -0.41 0.18 1.04 -0.56 0.00 0.00 175.26 175.61 3iqz n GLN 225 N 3.19 0.27 -2.58 4.30 1.13 -1.26 -4.78 117.38 117.64 3iqz n GLN 225 Ca 0.09 -0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.65 3iqz n GLN 225 Cb 0.41 -1.19 -0.02 0.00 0.11 0.00 0.00 30.24 29.55 3iqz n GLN 225 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3iqz s ASP 226 N -2.94 6.78 0.58 1.08 3.68 -1.26 -4.93 116.67 119.66 3iqz s ASP 226 Ca -0.03 0.90 0.34 0.00 2.13 0.00 0.00 52.55 55.89 3iqz s ASP 226 Cb 0.05 -2.54 1.76 0.00 -1.45 0.00 0.00 42.92 40.74 3iqz s ASP 226 CO 0.34 -1.04 2.16 0.07 0.13 0.00 0.00 175.17 176.82 3iqz h LYS 227 N 8.71 0.00 0.00 4.34 2.10 -1.97 0.51 116.57 130.26 3iqz h LYS 227 Ca -0.22 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.42 3iqz h LYS 227 Cb 1.07 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3iqz h LYS 227 CO 1.06 0.05 -0.05 0.93 -2.00 0.00 0.00 179.45 179.44 3iqz h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.02 -2.54 114.58 115.18 3iqz h GLU 228 Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 3iqz h GLU 228 Cb 0.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 3iqz h GLU 228 CO 0.01 0.05 -2.37 0.54 -1.00 0.00 0.00 179.01 176.24 3iqz n ARG 229 N -3.55 0.53 -0.00 2.33 1.74 0.78 -4.55 116.66 113.93 3iqz n ARG 229 Ca -0.02 0.22 0.02 0.00 -0.77 0.00 0.00 57.85 57.29 3iqz n ARG 229 Cb 0.16 -1.38 0.35 0.00 -1.02 0.00 0.00 32.46 30.57 3iqz n ARG 229 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3iqz h TYR 230 N -0.77 0.54 0.35 -1.55 -0.00 -0.21 -2.23 116.97 113.09 3iqz h TYR 230 Ca -0.61 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.08 3iqz h TYR 230 Cb 1.58 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 38.14 3iqz h TYR 230 CO -0.07 0.45 -0.17 0.28 -0.00 0.00 0.00 178.16 178.66 3iqz h VAL 231 N 0.54 0.67 -0.87 -0.90 2.07 -1.70 -0.04 116.25 116.01 3iqz h VAL 231 Ca 0.13 -0.31 0.14 0.00 0.82 0.00 0.00 66.70 67.48 3iqz h VAL 231 Cb 0.16 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 3iqz h VAL 231 CO -0.01 0.06 0.56 -0.65 0.02 0.00 0.00 177.57 177.56 3iqz h PRO 232 N -0.63 0.65 0.08 1.57 0.11 -1.80 -0.53 132.00 131.44 3iqz h PRO 232 Ca -0.05 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 3iqz h PRO 232 Cb 0.46 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3iqz h PRO 232 CO 0.08 0.43 -0.04 0.82 -0.21 0.00 0.00 178.00 179.08 3iqz h ILE 233 N 0.67 1.06 -0.33 4.15 2.04 -0.85 -0.88 117.51 123.37 3iqz h ILE 233 Ca 0.44 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 3iqz h ILE 233 Cb 0.72 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3iqz h ILE 233 CO -0.19 0.12 -0.16 -0.37 0.00 0.00 0.00 178.15 177.55 3iqz h VAL 234 N -0.32 1.25 -0.82 1.67 -1.51 -0.78 -2.32 116.25 113.43 3iqz h VAL 234 Ca -0.01 -1.14 0.03 0.00 -1.23 0.00 0.00 66.70 64.34 3iqz h VAL 234 Cb 0.27 1.17 -0.04 0.00 -2.13 0.00 0.00 31.29 30.56 3iqz h VAL 234 CO 0.02 0.38 0.54 0.00 -1.23 0.00 0.00 177.57 177.28 3iqz h ALA 235 N 1.30 1.47 0.00 5.19 0.00 -0.98 -2.07 119.26 124.16 3iqz h ALA 235 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3iqz h ALA 235 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3iqz h ALA 235 CO 0.04 0.47 -0.30 0.66 0.00 0.00 0.00 179.25 180.12 3iqz h SER 236 N 1.05 0.00 -0.57 0.00 4.64 -0.61 -2.42 113.55 115.65 3iqz h SER 236 Ca 0.32 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.56 3iqz h SER 236 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3iqz h SER 236 CO -0.09 0.30 0.05 0.00 -0.87 0.00 0.00 176.83 176.22 3iqz h ALA 237 N 1.70 0.76 -0.37 5.18 0.00 -1.10 -1.88 119.26 123.57 3iqz h ALA 237 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3iqz h ALA 237 Cb 0.69 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3iqz h ALA 237 CO 0.04 0.56 0.05 0.45 0.00 0.00 0.00 179.25 180.34 3iqz h HIS 238 N 0.87 0.56 -0.22 0.00 3.86 -1.24 -2.09 115.15 116.89 3iqz h HIS 238 Ca 0.17 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.21 3iqz h HIS 238 Cb 0.48 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3iqz h HIS 238 CO 0.04 0.52 -0.40 0.93 0.86 0.00 0.00 177.93 179.87 3iqz h GLU 239 N 0.53 0.50 0.11 2.45 4.39 -1.09 -0.70 114.58 120.78 3iqz h GLU 239 Ca 0.12 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 3iqz h GLU 239 Cb 0.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3iqz h GLU 239 CO 0.00 0.82 -0.06 0.52 -1.16 0.00 0.00 179.01 179.13 3iqz h MET 240 N 0.41 -0.16 -0.67 2.33 2.86 -1.12 -2.04 114.93 116.56 3iqz h MET 240 Ca 0.04 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3iqz h MET 240 Cb 0.88 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 3iqz h MET 240 CO 0.07 -0.10 0.28 1.98 1.06 0.00 0.00 176.91 180.20 3iqz h MET 241 N -0.16 0.98 -0.60 1.72 1.85 -1.19 -0.72 114.93 116.80 3iqz h MET 241 Ca -0.01 -0.16 0.08 0.00 -0.61 0.00 0.00 59.70 59.00 3iqz h MET 241 Cb 0.13 -0.17 -0.06 0.00 0.43 0.00 0.00 31.60 31.93 3iqz h MET 241 CO 0.02 0.79 0.27 -0.09 -0.40 0.00 0.00 176.91 177.49 3iqz h ARG 242 N 0.96 0.47 -0.01 0.39 2.43 -0.99 -0.84 114.38 116.79 3iqz h ARG 242 Ca 0.23 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.22 3iqz h ARG 242 Cb 0.17 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3iqz h ARG 242 CO -0.02 0.31 -0.71 0.87 -1.51 0.00 0.00 179.97 178.91 3iqz h LYS 243 N 0.49 0.07 -0.80 0.20 1.79 -0.80 -2.39 116.57 115.12 3iqz h LYS 243 Ca 0.29 -0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.76 3iqz h LYS 243 Cb 0.29 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 3iqz h LYS 243 CO -0.25 0.75 0.48 0.00 -1.08 0.00 0.00 179.45 179.35 3iqz h ALA 244 N 1.24 1.09 -0.57 3.86 0.00 -0.78 -1.55 119.26 122.54 3iqz h ALA 244 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3iqz h ALA 244 Cb 1.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3iqz h ALA 244 CO 0.10 0.21 0.27 0.00 0.00 0.00 0.00 179.25 179.82 3iqz h ALA 245 N 1.39 1.40 -0.09 0.00 0.00 -0.95 -1.55 119.26 119.46 3iqz h ALA 245 Ca 0.35 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3iqz h ALA 245 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3iqz h ALA 245 CO -0.17 0.47 -0.65 0.93 0.00 0.00 0.00 179.25 179.82 3iqz h GLU 246 N 0.81 0.35 -0.75 0.00 5.08 -0.90 0.45 114.58 119.63 3iqz h GLU 246 Ca 0.20 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3iqz h GLU 246 Cb 0.10 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3iqz h GLU 246 CO -0.03 0.89 0.25 -0.07 -1.00 0.00 0.00 179.01 179.05 3iqz h LEU 247 N 0.25 1.07 -0.36 1.33 3.38 -0.94 -0.53 115.31 119.51 3iqz h LEU 247 Ca -0.01 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3iqz h LEU 247 Cb 1.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3iqz h LEU 247 CO 0.11 0.98 -0.16 0.00 0.09 0.00 0.00 178.44 179.46 3iqz h ALA 248 N 1.16 0.50 -0.43 1.53 0.00 -0.85 -1.43 119.26 119.74 3iqz h ALA 248 Ca 0.24 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3iqz h ALA 248 Cb 0.28 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3iqz h ALA 248 CO -0.01 0.42 0.08 0.22 0.00 0.00 0.00 179.25 179.96 3iqz h ASP 249 N 0.53 -0.01 -0.33 0.00 3.58 -0.81 -2.14 116.42 117.24 3iqz h ASP 249 Ca 0.08 0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.53 3iqz h ASP 249 Cb 0.70 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 3iqz h ASP 249 CO 0.05 0.03 -0.03 -0.08 -2.88 0.00 0.00 179.24 176.33 3iqz h GLU 250 N 0.21 0.71 -0.47 0.28 4.81 -0.83 -0.76 114.58 118.53 3iqz h GLU 250 Ca 0.21 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3iqz h GLU 250 Cb 0.26 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3iqz h GLU 250 CO -0.28 0.75 0.31 0.00 -0.73 0.00 0.00 179.01 179.06 3iqz h ALA 251 N 1.31 0.60 -0.25 2.92 0.00 -0.96 -2.19 119.26 120.69 3iqz h ALA 251 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3iqz h ALA 251 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3iqz h ALA 251 CO 0.02 0.04 -0.32 -0.09 0.00 0.00 0.00 179.25 178.90 3iqz h ARG 252 N 0.63 0.53 -0.17 0.00 2.43 -0.85 -2.47 114.38 114.47 3iqz h ARG 252 Ca 0.18 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 3iqz h ARG 252 Cb -0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3iqz h ARG 252 CO -0.04 0.78 -0.13 0.93 -1.51 0.00 0.00 179.97 180.00 3iqz h GLU 253 N 0.45 0.28 -0.43 0.20 4.39 -0.97 -1.09 114.58 117.42 3iqz h GLU 253 Ca 0.05 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 3iqz h GLU 253 Cb 0.78 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 3iqz h GLU 253 CO 0.06 0.42 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.08 3iqz h LEU 254 N 0.26 0.83 -0.80 1.33 3.38 -1.13 -1.04 115.31 118.14 3iqz h LEU 254 Ca 0.05 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 3iqz h LEU 254 Cb 0.40 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3iqz h LEU 254 CO 0.02 1.00 -0.05 -0.33 0.09 0.00 0.00 178.44 179.17 3iqz h GLU 255 N 0.72 0.86 -0.61 1.13 4.39 -0.84 -2.26 114.58 117.96 3iqz h GLU 255 Ca 0.11 -0.26 0.10 0.00 0.34 0.00 0.00 59.36 59.65 3iqz h GLU 255 Cb 0.69 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.18 3iqz h GLU 255 CO 0.05 0.89 0.20 0.87 -1.16 0.00 0.00 179.01 179.86 3iqz h LYS 256 N 0.79 0.35 0.00 2.33 1.57 -1.05 -0.15 116.57 120.40 3iqz h LYS 256 Ca 0.14 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3iqz h LYS 256 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3iqz h LYS 256 CO 0.03 0.23 0.00 0.66 -0.57 0.00 0.00 179.45 179.80 3iqz h SER 257 N 0.36 0.00 -0.48 0.86 4.64 -0.58 -0.56 113.55 117.79 3iqz h SER 257 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3iqz h SER 257 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3iqz h SER 257 CO -0.34 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.21 3iqz n ASN 258 N -2.78 3.43 -3.98 4.97 3.02 -1.03 -4.97 115.26 113.93 3iqz n ASN 258 Ca -0.01 -2.09 -0.27 0.00 -0.03 0.00 0.00 54.58 52.19 3iqz n ASN 258 Cb 0.16 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3iqz n ASN 258 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iqz n ASP 259 N 0.86 -0.77 -0.60 6.41 2.03 -0.22 -4.88 116.55 119.37 3iqz n ASP 259 Ca 0.17 -1.00 0.04 0.00 0.52 0.00 0.00 54.79 54.53 3iqz n ASP 259 Cb 0.55 -3.06 0.07 0.00 -0.72 0.00 0.00 41.12 37.95 3iqz n ASP 259 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iqz n ALA 260 N -4.41 2.37 -2.17 -1.67 0.00 -0.10 -3.85 120.51 110.69 3iqz n ALA 260 Ca -0.26 -2.02 -0.43 0.00 0.00 0.00 0.00 53.44 50.73 3iqz n ALA 260 Cb 0.66 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 3iqz n ALA 260 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iqz s VAL 261 N -1.21 3.85 0.07 0.00 1.01 -1.14 -4.62 120.40 118.36 3iqz s VAL 261 Ca 0.21 1.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 3iqz s VAL 261 Cb 0.20 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 3iqz s VAL 261 CO -0.04 -0.10 1.35 -0.22 0.00 0.00 0.00 175.10 176.10 3iqz s LEU 262 N 3.86 4.35 -0.03 3.92 2.96 -1.26 -4.24 118.68 128.24 3iqz s LEU 262 Ca 0.66 2.19 0.05 0.00 -0.22 0.00 0.00 54.13 56.81 3iqz s LEU 262 Cb -0.29 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.82 3iqz s LEU 262 CO 0.24 -0.63 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.34 3iqz s ARG 263 N 1.46 1.55 -0.50 1.98 0.52 -0.13 -5.00 118.95 118.82 3iqz s ARG 263 Ca 0.63 -0.59 0.06 0.00 -0.52 0.00 0.00 55.73 55.31 3iqz s ARG 263 Cb -0.33 -1.42 0.22 0.00 0.52 0.00 0.00 34.95 33.94 3iqz s ARG 263 CO 0.29 0.30 0.54 0.25 0.02 0.00 0.00 175.30 176.69 3iqz n THR 264 N 2.92 0.32 -1.69 0.02 -2.24 -1.26 -1.12 114.28 111.24 3iqz n THR 264 Ca -0.16 -4.33 -0.30 0.00 -2.27 0.00 0.00 64.05 56.99 3iqz n THR 264 Cb 0.54 -1.96 0.06 0.00 -2.10 0.00 0.00 70.33 66.86 3iqz n THR 264 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iqz s PRO 265 N -1.30 2.71 0.21 -0.78 0.04 -1.24 -4.60 135.00 130.04 3iqz s PRO 265 Ca 0.34 0.68 -0.17 0.00 0.04 0.00 0.00 61.00 61.89 3iqz s PRO 265 Cb 0.11 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 3iqz s PRO 265 CO -0.11 -1.19 0.67 -1.01 0.04 0.00 0.00 177.00 175.39 3iqz s HIS 266 N -3.19 3.61 0.60 0.56 3.76 -1.26 -0.45 115.29 118.92 3iqz s HIS 266 Ca 0.59 1.26 -0.08 0.00 -0.15 0.00 0.00 55.06 56.68 3iqz s HIS 266 Cb -0.13 -2.53 -0.01 0.00 1.11 0.00 0.00 32.58 31.02 3iqz s HIS 266 CO 0.54 0.34 0.95 0.00 -0.85 0.00 0.00 174.74 175.72 3iqz s ALA 267 N -1.55 3.18 0.55 -1.40 0.00 0.11 -4.91 121.76 117.73 3iqz s ALA 267 Ca 0.42 -0.43 0.26 0.00 0.00 0.00 0.00 51.96 52.21 3iqz s ALA 267 Cb -0.15 -2.81 1.45 0.00 0.00 0.00 0.00 23.12 21.61 3iqz s ALA 267 CO 0.20 -0.76 2.02 -1.35 0.00 0.00 0.00 175.76 175.87 3iqz h PRO 268 N -0.24 0.00 -0.24 0.00 0.11 -1.89 0.28 132.00 130.01 3iqz h PRO 268 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iqz h PRO 268 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iqz h PRO 268 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3iqz n ASP 269 N -4.20 1.78 0.00 -2.05 5.75 -1.26 0.11 116.55 116.68 3iqz n ASP 269 Ca 0.07 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3iqz n ASP 269 Cb 0.52 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 3iqz n ASP 269 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iqz n GLY 270 N 1.12 0.79 3.77 6.12 0.00 0.97 -4.73 105.19 113.23 3iqz n GLY 270 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3iqz n GLY 270 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iqz s LYS 271 N -0.76 3.74 -0.24 1.61 2.47 -1.25 -4.64 119.74 120.66 3iqz s LYS 271 Ca 0.00 2.38 -0.16 0.00 -1.56 0.00 0.00 55.97 56.63 3iqz s LYS 271 Cb 0.00 -2.68 -0.04 0.00 -1.46 0.00 0.00 37.83 33.66 3iqz s LYS 271 CO 0.00 -0.76 0.41 0.08 0.16 0.00 0.00 175.35 175.24 3iqz s VAL 272 N -1.21 5.17 0.56 4.02 1.01 -1.26 -0.71 120.40 127.97 3iqz s VAL 272 Ca 0.60 0.68 0.09 0.00 0.00 0.00 0.00 61.98 63.34 3iqz s VAL 272 Cb -0.43 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.30 3iqz s VAL 272 CO 0.55 0.18 0.77 -0.76 0.00 0.00 0.00 175.10 175.84 3iqz s LEU 273 N 1.82 3.18 -0.05 3.92 1.43 0.41 -4.98 118.68 124.41 3iqz s LEU 273 Ca 0.18 -0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 52.35 3iqz s LEU 273 Cb -0.15 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.29 3iqz s LEU 273 CO 0.09 -1.29 0.41 -0.55 0.23 0.00 0.00 176.35 175.24 3iqz s SER 274 N -4.62 -0.34 0.20 2.29 0.15 -1.26 -3.62 113.70 106.50 3iqz s SER 274 Ca 0.61 0.38 -0.23 0.00 0.70 0.00 0.00 55.95 57.41 3iqz s SER 274 Cb -0.06 0.49 0.05 0.00 -1.71 0.00 0.00 66.02 64.78 3iqz s SER 274 CO 0.38 -0.41 0.83 -1.59 1.20 0.00 0.00 173.24 173.65 3iqz s LYS 275 N -0.95 1.44 0.00 5.44 -2.85 -0.27 -1.37 119.74 121.17 3iqz s LYS 275 Ca -0.10 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 3iqz s LYS 275 Cb -0.04 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 3iqz s LYS 275 CO 0.05 -0.65 0.00 0.54 0.10 0.00 0.00 175.35 175.38 3iqz n ARG 276 N -0.45 0.00 -2.57 1.78 5.12 -1.26 -0.96 116.66 118.32 3iqz n ARG 276 Ca -0.06 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.47 3iqz n ARG 276 Cb 0.60 -0.38 -0.05 0.00 -1.16 0.00 0.00 32.46 31.47 3iqz n ARG 276 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3iqz s LYS 277 N -1.88 4.60 0.24 5.56 1.02 -1.25 -2.88 119.74 125.15 3iqz s LYS 277 Ca 0.00 1.65 -0.05 0.00 0.02 0.00 0.00 55.97 57.59 3iqz s LYS 277 Cb 0.00 -3.07 0.40 0.00 -0.52 0.00 0.00 37.83 34.64 3iqz s LYS 277 CO 0.00 0.22 1.78 0.35 -0.92 0.00 0.00 175.35 176.79 3iqz h PHE 278 N 3.61 0.72 -0.07 3.18 3.04 -1.91 -2.28 116.94 123.23 3iqz h PHE 278 Ca -0.47 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.51 3iqz h PHE 278 Cb 1.21 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.51 3iqz h PHE 278 CO 0.59 0.25 0.00 -1.33 -2.02 0.00 0.00 178.31 175.80 3iqz n MET 279 N -4.83 1.75 -3.28 1.11 2.81 -1.26 -4.90 117.12 108.51 3iqz n MET 279 Ca 0.13 -1.10 -0.38 0.00 -1.81 0.00 0.00 57.70 54.54 3iqz n MET 279 Cb 0.31 -1.46 -0.06 0.00 -0.71 0.00 0.00 33.22 31.31 3iqz n MET 279 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3iqz s GLU 280 N -1.93 4.27 0.32 0.03 2.12 -0.86 -5.02 118.70 117.62 3iqz s GLU 280 Ca 0.36 0.60 -0.29 0.00 0.36 0.00 0.00 54.97 56.00 3iqz s GLU 280 Cb 0.20 -3.35 -0.11 0.00 0.26 0.00 0.00 34.13 31.13 3iqz s GLU 280 CO 0.31 0.35 1.45 -0.51 -0.54 0.00 0.00 175.26 176.32 3iqz s ASP 281 N -0.06 6.53 0.30 -1.70 1.01 -1.26 -4.88 116.67 116.62 3iqz s ASP 281 Ca 0.28 2.85 -0.29 0.00 0.71 0.00 0.00 52.55 56.10 3iqz s ASP 281 Cb -0.17 -2.65 -0.10 0.00 1.01 0.00 0.00 42.92 41.01 3iqz s ASP 281 CO 0.14 -0.76 1.19 -2.16 0.21 0.00 0.00 175.17 173.80 3iqz s PRO 282 N -1.30 4.51 0.00 8.23 0.04 -1.26 -4.84 135.00 140.37 3iqz s PRO 282 Ca 0.55 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.58 3iqz s PRO 282 Cb -0.44 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 30.97 3iqz s PRO 282 CO 0.53 0.03 0.00 0.39 0.04 0.00 0.00 177.00 177.99