#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 5.16 0.17 12.58 1.01 -1.26 -4.84 120.40 133.21 3iqz s VAL 3 Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 3iqz s VAL 3 Cb 0.00 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 3iqz s VAL 3 CO 0.00 0.18 0.98 0.00 0.00 0.00 0.00 175.10 176.26 3iqz s ALA 4 N 1.80 3.30 0.03 5.51 0.00 0.27 -4.90 121.76 127.77 3iqz s ALA 4 Ca 0.18 0.63 0.08 0.00 0.00 0.00 0.00 51.96 52.86 3iqz s ALA 4 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3iqz s ALA 4 CO 0.09 0.02 -0.24 0.15 0.00 0.00 0.00 175.76 175.78 3iqz s LYS 5 N -0.49 1.93 -0.02 0.00 1.02 -1.26 -1.20 119.74 119.71 3iqz s LYS 5 Ca 0.45 -1.04 -0.16 0.00 0.02 0.00 0.00 55.97 55.24 3iqz s LYS 5 Cb -0.25 -2.04 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 3iqz s LYS 5 CO 0.32 0.53 0.35 0.00 -0.92 0.00 0.00 175.35 175.63 3iqz s ALA 6 N -0.79 -0.90 -0.11 5.17 0.00 -1.01 0.20 121.76 124.31 3iqz s ALA 6 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3iqz s ALA 6 Cb -0.10 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 3iqz s ALA 6 CO 0.02 -0.27 -0.13 0.42 0.00 0.00 0.00 175.76 175.80 3iqz s ILE 7 N -1.24 3.08 -0.15 0.00 1.01 -1.11 -1.90 121.20 120.89 3iqz s ILE 7 Ca -0.13 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 3iqz s ILE 7 Cb -0.05 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 3iqz s ILE 7 CO 0.05 0.54 0.05 -0.36 0.00 0.00 0.00 174.94 175.22 3iqz s PHE 8 N 0.13 3.26 -0.17 3.97 0.40 0.44 -0.64 117.98 125.38 3iqz s PHE 8 Ca -0.06 0.13 -0.00 0.00 -0.60 0.00 0.00 56.93 56.39 3iqz s PHE 8 Cb -0.15 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.38 3iqz s PHE 8 CO 0.05 0.28 -0.14 0.42 0.70 0.00 0.00 175.22 176.53 3iqz s ILE 9 N -0.06 2.74 -0.21 0.64 1.01 0.87 -0.88 121.20 125.31 3iqz s ILE 9 Ca 0.06 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3iqz s ILE 9 Cb -0.12 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.21 3iqz s ILE 9 CO 0.01 0.50 -0.17 -0.54 0.00 0.00 0.00 174.94 174.75 3iqz s LYS 10 N 0.96 2.73 -0.07 2.79 1.02 -0.36 -0.41 119.74 126.40 3iqz s LYS 10 Ca -0.02 -1.01 0.01 0.00 0.02 0.00 0.00 55.97 54.97 3iqz s LYS 10 Cb -0.15 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 3iqz s LYS 10 CO -0.02 -0.34 -0.08 0.00 -0.92 0.00 0.00 175.35 173.99 3iqz n GLY 12 N 4.23 -1.97 2.86 0.00 0.00 -0.51 -4.19 105.19 105.61 3iqz n GLY 12 Ca -0.20 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.72 0.12 0.05 1.61 2.47 -1.26 -4.70 114.94 109.52 3iqz s ASN 13 Ca 0.00 -0.01 0.02 0.00 0.42 0.00 0.00 52.86 53.30 3iqz s ASN 13 Cb 0.00 -0.04 -0.03 0.00 -1.45 0.00 0.00 41.25 39.73 3iqz s ASN 13 CO 0.00 -0.03 -0.08 -0.76 -3.72 0.00 0.00 177.10 172.52 3iqz s LEU 14 N 0.29 2.30 0.23 3.21 1.02 -1.26 -4.58 118.68 119.88 3iqz s LEU 14 Ca -0.02 -0.63 -0.07 0.00 0.02 0.00 0.00 54.13 53.43 3iqz s LEU 14 Cb -0.04 -0.16 0.37 0.00 0.02 0.00 0.00 46.19 46.38 3iqz s LEU 14 CO -0.01 -0.24 1.74 1.23 0.02 0.00 0.00 176.35 179.09 3iqz h GLY 15 N 4.23 1.02 1.45 -3.19 0.00 -1.94 -1.35 103.07 103.29 3iqz h GLY 15 Ca -0.36 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 3iqz h GLY 15 CO 0.45 -0.05 -0.37 -0.84 0.00 0.00 0.00 176.54 175.73 3iqz h THR 16 N 0.44 1.29 0.00 4.70 2.02 -1.96 -2.99 112.91 116.41 3iqz h THR 16 Ca 0.37 -1.52 -0.10 0.00 0.77 0.00 0.00 66.41 65.93 3iqz h THR 16 Cb 0.50 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3iqz h THR 16 CO -0.35 0.48 -0.57 0.77 0.37 0.00 0.00 175.52 176.22 3iqz h SER 17 N 0.51 0.00 -0.29 4.18 4.64 -1.80 0.08 113.55 120.87 3iqz h SER 17 Ca 0.05 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 3iqz h SER 17 Cb 0.87 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 3iqz h SER 17 CO 0.08 0.44 -0.09 -0.03 -0.87 0.00 0.00 176.83 176.36 3iqz h MET 18 N 0.00 0.70 -0.00 4.77 -1.53 -1.16 -3.30 114.93 114.41 3iqz h MET 18 Ca -0.02 -0.21 0.00 0.00 -3.44 0.00 0.00 59.70 56.02 3iqz h MET 18 Cb 1.36 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 32.34 3iqz h MET 18 CO 0.05 0.78 -0.66 -1.33 0.14 0.00 0.00 176.91 175.89 3iqz n MET 19 N -4.18 2.27 -0.16 0.39 2.81 -1.13 -4.77 117.12 112.36 3iqz n MET 19 Ca 0.01 -0.03 -0.03 0.00 -1.81 0.00 0.00 57.70 55.84 3iqz n MET 19 Cb 0.34 -1.17 0.03 0.00 -0.71 0.00 0.00 33.22 31.71 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 0.06 -0.02 -0.36 0.03 -0.00 -1.06 -1.81 114.93 111.79 3iqz h MET 20 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.55 3iqz h MET 20 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.94 3iqz h MET 20 CO 0.00 -0.01 -0.37 0.38 -0.00 0.00 0.00 176.91 176.91 3iqz h ASP 21 N -0.02 0.90 0.35 -0.10 2.03 -1.86 -3.17 116.42 114.56 3iqz h ASP 21 Ca 0.24 -0.40 -0.06 0.00 -0.73 0.00 0.00 57.03 56.07 3iqz h ASP 21 Cb 0.38 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 3iqz h ASP 21 CO -0.53 1.17 -0.30 0.24 -1.03 0.00 0.00 179.24 178.79 3iqz h MET 22 N 0.70 0.00 0.00 4.15 2.86 -1.71 -1.71 114.93 119.22 3iqz h MET 22 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3iqz h MET 22 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3iqz h MET 22 CO 0.09 0.30 0.00 1.28 1.06 0.00 0.00 176.91 179.64 3iqz n LEU 23 N -4.08 0.31 -0.14 1.22 4.77 -0.74 -2.48 117.00 115.86 3iqz n LEU 23 Ca -0.02 0.61 0.10 0.00 -0.03 0.00 0.00 56.01 56.67 3iqz n LEU 23 Cb 0.36 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 3iqz n LEU 23 CO 0.37 -0.58 0.05 0.18 -1.33 0.00 0.00 177.39 176.08 3iqz n LEU 24 N -1.88 1.28 -2.90 2.23 4.77 -0.64 -4.62 117.00 115.25 3iqz n LEU 24 Ca 0.01 -0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 55.29 3iqz n LEU 24 Cb 0.10 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3iqz n LEU 24 CO 0.10 0.28 0.11 -0.67 -1.33 0.00 0.00 177.39 175.89 3iqz n ASP 25 N -1.08 -1.36 0.28 -1.43 2.03 -1.04 -4.98 116.55 108.98 3iqz n ASP 25 Ca 0.05 -3.38 0.13 0.00 0.52 0.00 0.00 54.79 52.12 3iqz n ASP 25 Cb 0.36 1.02 0.82 0.00 -0.72 0.00 0.00 41.12 42.60 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 3.23 0.00 -0.12 -0.67 9.09 -1.81 -0.70 114.58 123.60 3iqz h GLU 26 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.37 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 0.29 0.04 0.00 0.54 0.05 0.00 0.00 179.01 179.92 3iqz n ARG 27 N -3.93 2.54 -1.74 1.06 1.74 -1.26 -4.99 116.66 110.08 3iqz n ARG 27 Ca -0.03 -1.59 -0.19 0.00 -0.77 0.00 0.00 57.85 55.27 3iqz n ARG 27 Cb 0.12 -1.10 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 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 -0.07 -0.35 0.14 7.54 0.00 -0.27 -4.88 120.51 122.63 3iqz n ALA 28 Ca 0.04 0.27 0.08 0.00 0.00 0.00 0.00 53.44 53.83 3iqz n ALA 28 Cb 0.29 -1.93 0.16 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.16 2.99 -4.70 0.00 5.68 -1.26 -4.95 116.55 113.15 3iqz n ASP 29 Ca -0.20 -1.88 -0.42 0.00 -0.50 0.00 0.00 54.79 51.80 3iqz n ASP 29 Cb 0.63 -0.20 -0.03 0.00 -1.14 0.00 0.00 41.12 40.37 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 -1.17 4.31 0.00 0.11 0.52 -1.26 -4.40 118.95 117.06 3iqz s ARG 30 Ca 0.29 2.00 0.25 0.00 -0.52 0.00 0.00 55.73 57.74 3iqz s ARG 30 Cb 0.17 -3.43 0.38 0.00 0.52 0.00 0.00 34.95 32.59 3iqz s ARG 30 CO 0.23 -0.50 1.37 0.39 0.02 0.00 0.00 175.30 176.81 3iqz n GLU 31 N 4.70 2.21 -0.23 3.54 1.02 0.72 -4.36 120.64 128.24 3iqz n GLU 31 Ca 0.12 -1.76 0.07 0.00 -0.02 0.00 0.00 57.16 55.58 3iqz n GLU 31 Cb 0.43 -1.47 0.20 0.00 -0.02 0.00 0.00 31.44 30.58 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 1.12 3.19 -4.00 1.62 3.85 -1.26 -4.81 116.55 116.25 3iqz n ASP 32 Ca 0.15 -2.00 -0.09 0.00 -0.71 0.00 0.00 54.79 52.15 3iqz n ASP 32 Cb 0.55 -0.30 -0.11 0.00 -1.35 0.00 0.00 41.12 39.91 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 -1.00 0.14 -0.12 2.12 -7.23 -1.26 -0.57 120.40 112.48 3iqz s VAL 33 Ca 0.30 -1.04 -0.06 0.00 -1.81 0.00 0.00 61.98 59.37 3iqz s VAL 33 Cb 0.16 -0.45 0.05 0.00 0.56 0.00 0.00 36.38 36.70 3iqz s VAL 33 CO 0.20 -0.56 0.28 -0.70 -0.31 0.00 0.00 175.10 174.01 3iqz s GLU 34 N -1.81 0.23 0.08 4.82 2.12 -0.34 -4.90 118.70 118.90 3iqz s GLU 34 Ca -0.13 0.60 0.08 0.00 0.36 0.00 0.00 54.97 55.88 3iqz s GLU 34 Cb -0.08 -0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.19 3iqz s GLU 34 CO -0.02 -0.17 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.25 3iqz s PHE 35 N 1.39 1.85 0.05 5.30 2.99 -1.26 -2.41 117.98 125.88 3iqz s PHE 35 Ca -0.09 -0.40 0.08 0.00 0.00 0.00 0.00 56.93 56.53 3iqz s PHE 35 Cb -0.10 -1.05 -0.03 0.00 0.00 0.00 0.00 43.02 41.84 3iqz s PHE 35 CO -0.09 0.17 -0.23 1.03 -0.00 0.00 0.00 175.22 176.09 3iqz s ARG 36 N -1.61 1.55 -0.08 0.44 1.81 -0.80 -5.00 118.95 115.26 3iqz s ARG 36 Ca 0.07 -1.02 0.01 0.00 -1.72 0.00 0.00 55.73 53.07 3iqz s ARG 36 Cb -0.10 -1.70 0.02 0.00 -0.45 0.00 0.00 34.95 32.72 3iqz s ARG 36 CO 0.03 0.44 -0.10 0.08 -0.68 0.00 0.00 175.30 175.07 3iqz s VAL 37 N -0.81 1.03 0.08 3.52 1.01 -1.26 -0.42 120.40 123.55 3iqz s VAL 37 Ca 0.09 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3iqz s VAL 37 Cb -0.09 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3iqz s VAL 37 CO 0.02 0.35 -0.08 0.68 0.00 0.00 0.00 175.10 176.07 3iqz s VAL 38 N 1.06 0.74 0.06 2.92 -7.23 -0.06 -4.97 120.40 112.92 3iqz s VAL 38 Ca -0.07 -1.63 -0.26 0.00 -1.81 0.00 0.00 61.98 58.21 3iqz s VAL 38 Cb -0.14 -1.31 0.09 0.00 0.56 0.00 0.00 36.38 35.57 3iqz s VAL 38 CO -0.01 -0.65 1.19 -0.83 -0.31 0.00 0.00 175.10 174.49 3iqz s GLY 39 N -2.49 -0.06 -0.24 2.32 0.00 -1.26 -1.23 107.32 104.37 3iqz s GLY 39 Ca 0.04 -0.06 0.10 0.00 0.00 0.00 0.00 44.72 44.80 3iqz s GLY 39 CO -0.02 4.00 1.30 -1.30 0.00 0.00 0.00 173.10 177.08 3iqz n THR 40 N -0.79 2.34 -2.26 0.90 -2.24 -1.12 -4.95 114.28 106.15 3iqz n THR 40 Ca 0.00 -3.15 0.00 0.00 -2.27 0.00 0.00 64.05 58.63 3iqz n THR 40 Cb 0.59 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.10 0.00 0.08 3.42 2.88 -1.26 -3.18 113.62 114.46 3iqz n SER 41 Ca 0.25 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.92 3iqz n SER 41 Cb 0.81 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.73 3iqz n SER 41 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3iqz n VAL 42 N 0.00 0.50 -2.80 2.46 0.24 -1.26 -1.42 118.33 116.04 3iqz n VAL 42 Ca 0.00 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.75 3iqz n VAL 42 Cb 0.00 -0.65 -0.04 0.00 -1.47 0.00 0.00 33.84 31.68 3iqz n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3iqz s LYS 43 N -3.10 4.56 -0.00 7.34 1.02 -1.19 -3.23 119.74 125.15 3iqz s LYS 43 Ca 0.11 1.30 0.05 0.00 0.02 0.00 0.00 55.97 57.44 3iqz s LYS 43 Cb 0.13 -3.43 0.08 0.00 -0.52 0.00 0.00 37.83 34.10 3iqz s LYS 43 CO 0.54 0.07 1.03 0.00 -0.92 0.00 0.00 175.35 176.08 3iqz n MET 44 N 3.49 0.01 -1.18 1.68 0.00 -1.26 -3.88 117.12 115.99 3iqz n MET 44 Ca 0.03 -1.21 -0.30 0.00 0.00 0.00 0.00 57.70 56.22 3iqz n MET 44 Cb 0.51 -0.41 0.13 0.00 0.00 0.00 0.00 33.22 33.44 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 -1.21 3.73 0.23 3.17 -4.77 -1.26 -3.79 116.67 112.76 3iqz s ASP 45 Ca 0.07 1.64 -0.14 0.00 -3.30 0.00 0.00 52.55 50.82 3iqz s ASP 45 Cb 0.08 -2.32 0.27 0.00 -1.09 0.00 0.00 42.92 39.86 3iqz s ASP 45 CO -0.03 -2.50 1.59 -0.65 0.70 0.00 0.00 175.17 174.28 3iqz h PRO 46 N -1.45 -0.04 -0.30 2.11 0.11 -1.86 -1.08 132.00 129.49 3iqz h PRO 46 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3iqz h PRO 46 Cb 1.27 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3iqz h PRO 46 CO 0.53 -0.03 0.18 0.93 -0.21 0.00 0.00 178.00 179.40 3iqz h GLU 47 N -0.04 0.36 -0.47 1.05 3.07 -1.96 -0.76 114.58 115.82 3iqz h GLU 47 Ca 0.34 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.12 3iqz h GLU 47 Cb 0.58 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 3iqz h GLU 47 CO -0.80 0.24 0.07 0.00 -1.40 0.00 0.00 179.01 177.11 3iqz h VAL 49 N 0.66 1.25 -0.74 0.00 2.07 -1.04 0.03 116.25 118.48 3iqz h VAL 49 Ca 0.14 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 3iqz h VAL 49 Cb 0.41 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3iqz h VAL 49 CO 0.01 0.33 0.40 -0.08 0.02 0.00 0.00 177.57 178.25 3iqz h GLU 50 N 0.78 1.03 -0.57 1.57 4.81 -0.93 -0.51 114.58 120.75 3iqz h GLU 50 Ca 0.17 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3iqz h GLU 50 Cb 0.35 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3iqz h GLU 50 CO 0.00 0.77 0.05 0.00 -0.73 0.00 0.00 179.01 179.11 3iqz h ALA 51 N 1.20 1.02 -0.21 2.92 0.00 -0.72 -0.72 119.26 122.75 3iqz h ALA 51 Ca 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3iqz h ALA 51 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3iqz h ALA 51 CO -0.04 0.62 0.06 0.00 0.00 0.00 0.00 179.25 179.89 3iqz h ALA 52 N 1.17 0.28 -0.15 0.00 0.00 -0.55 -2.01 119.26 118.00 3iqz h ALA 52 Ca 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3iqz h ALA 52 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3iqz h ALA 52 CO 0.02 -0.09 -0.16 0.28 0.00 0.00 0.00 179.25 179.30 3iqz h VAL 53 N 0.16 1.19 -0.49 0.00 2.07 -0.86 -2.00 116.25 116.33 3iqz h VAL 53 Ca 0.07 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 3iqz h VAL 53 Cb 0.25 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3iqz h VAL 53 CO -0.00 0.26 -0.09 -0.33 0.02 0.00 0.00 177.57 177.43 3iqz h GLU 54 N 0.22 0.92 -0.24 1.57 5.08 -0.93 -0.01 114.58 121.19 3iqz h GLU 54 Ca 0.04 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 3iqz h GLU 54 Cb 0.42 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3iqz h GLU 54 CO 0.03 0.99 -0.05 0.52 -1.00 0.00 0.00 179.01 179.50 3iqz h MET 55 N 0.77 0.01 -0.25 2.33 2.86 -0.92 0.27 114.93 120.00 3iqz h MET 55 Ca 0.13 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3iqz h MET 55 Cb 0.64 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 3iqz h MET 55 CO 0.04 0.01 0.02 0.00 1.06 0.00 0.00 176.91 178.04 3iqz h ALA 56 N 1.23 0.24 -0.53 6.32 0.00 -1.09 -0.95 119.26 124.48 3iqz h ALA 56 Ca 0.12 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3iqz h ALA 56 Cb 0.17 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3iqz h ALA 56 CO -0.24 -0.40 -0.03 -0.07 0.00 0.00 0.00 179.25 178.51 3iqz h LEU 57 N 0.11 0.95 -0.08 0.00 3.38 -0.56 0.57 115.31 119.67 3iqz h LEU 57 Ca 0.12 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3iqz h LEU 57 Cb 0.14 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3iqz h LEU 57 CO -0.18 1.04 -0.13 0.44 0.09 0.00 0.00 178.44 179.70 3iqz h ASP 58 N 0.83 -0.41 -0.36 -0.43 3.32 -0.23 -2.16 116.42 116.98 3iqz h ASP 58 Ca 0.15 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3iqz h ASP 58 Cb 0.57 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 3iqz h ASP 58 CO 0.03 -0.18 0.17 0.40 -1.72 0.00 0.00 179.24 177.94 3iqz h ILE 59 N -0.19 1.16 -0.21 0.35 2.04 -1.03 -2.78 117.51 116.84 3iqz h ILE 59 Ca 0.07 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3iqz h ILE 59 Cb 0.29 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3iqz h ILE 59 CO -0.19 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.15 3iqz h ALA 60 N 1.61 1.61 -0.49 1.87 0.00 -0.24 0.03 119.26 123.66 3iqz h ALA 60 Ca 0.14 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3iqz h ALA 60 Cb 0.11 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 3iqz h ALA 60 CO -0.02 0.29 -0.09 0.93 0.00 0.00 0.00 179.25 180.36 3iqz h GLU 61 N 0.31 0.02 0.11 0.00 5.08 -1.18 0.46 114.58 119.38 3iqz h GLU 61 Ca 0.07 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.10 3iqz h GLU 61 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3iqz h GLU 61 CO 0.00 0.02 -1.79 -0.44 -1.00 0.00 0.00 179.01 175.80 3iqz h ASP 62 N 0.03 0.36 0.13 1.42 3.32 -1.67 -3.37 116.42 116.63 3iqz h ASP 62 Ca 0.24 -0.66 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 3iqz h ASP 62 Cb 0.36 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3iqz h ASP 62 CO -0.48 1.58 -0.45 0.15 -1.72 0.00 0.00 179.24 178.32 3iqz h PHE 63 N 0.06 0.47 -5.92 4.55 3.57 -0.75 -3.48 116.94 115.44 3iqz h PHE 63 Ca -0.34 -0.14 -0.37 0.00 3.53 0.00 0.00 57.97 60.65 3iqz h PHE 63 Cb 2.04 -0.10 0.12 0.00 2.79 0.00 0.00 35.95 40.79 3iqz h PHE 63 CO 0.06 0.78 -0.88 0.39 -2.23 0.00 0.00 178.31 176.43 3iqz n GLU 64 N -4.00 -2.89 -2.10 1.11 1.02 0.16 -4.95 120.64 109.00 3iqz n GLU 64 Ca -0.02 0.65 -0.37 0.00 -0.02 0.00 0.00 57.16 57.40 3iqz n GLU 64 Cb 0.53 -5.04 0.01 0.00 -0.02 0.00 0.00 31.44 26.92 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 -5.47 3.48 0.30 3.49 0.04 -1.26 -4.86 135.00 130.72 3iqz s PRO 65 Ca 0.31 1.90 0.14 0.00 0.04 0.00 0.00 61.00 63.39 3iqz s PRO 65 Cb -0.08 -2.29 0.38 0.00 0.04 0.00 0.00 34.50 32.55 3iqz s PRO 65 CO 0.80 -0.82 1.60 -0.44 0.04 0.00 0.00 177.00 178.18 3iqz h ASP 66 N 1.72 0.00 -5.03 6.66 5.19 -0.62 -3.47 116.42 120.87 3iqz h ASP 66 Ca -0.50 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.91 3iqz h ASP 66 Cb 1.27 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.68 3iqz h ASP 66 CO 0.59 0.54 0.15 0.72 -3.12 0.00 0.00 179.24 178.12 3iqz s PHE 67 N -3.39 -0.31 -0.03 4.55 -0.12 -1.21 -4.33 117.98 113.13 3iqz s PHE 67 Ca 0.00 -0.00 0.05 0.00 -0.05 0.00 0.00 56.93 56.93 3iqz s PHE 67 Cb 0.11 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 43.02 3iqz s PHE 67 CO 0.73 -0.96 -0.18 0.42 -0.05 0.00 0.00 175.22 175.18 3iqz s ILE 68 N -3.83 1.49 -0.10 -4.49 1.01 0.18 -2.74 121.20 112.72 3iqz s ILE 68 Ca 0.06 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3iqz s ILE 68 Cb -0.02 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 3iqz s ILE 68 CO -0.05 0.43 -0.12 -0.69 0.00 0.00 0.00 174.94 174.51 3iqz s VAL 69 N -0.14 3.22 -0.15 2.92 1.01 0.19 -0.95 120.40 126.50 3iqz s VAL 69 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3iqz s VAL 69 Cb -0.10 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3iqz s VAL 69 CO 0.01 0.55 -0.15 -0.47 0.00 0.00 0.00 175.10 175.05 3iqz s TYR 70 N -0.15 2.79 -0.03 5.22 6.14 0.23 -0.09 117.35 131.46 3iqz s TYR 70 Ca -0.00 -0.93 0.03 0.00 0.64 0.00 0.00 57.07 56.81 3iqz s TYR 70 Cb -0.13 -1.88 0.00 0.00 0.42 0.00 0.00 41.96 40.37 3iqz s TYR 70 CO 0.03 -0.40 -0.10 0.20 0.64 0.00 0.00 175.55 175.92 3iqz s GLY 71 N 0.69 0.59 0.00 8.97 0.00 0.45 -0.70 107.32 117.32 3iqz s GLY 71 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3iqz s GLY 71 CO 0.02 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.56 3iqz n GLY 72 N 3.20 -2.78 3.76 0.20 0.00 -0.90 -2.76 105.19 105.91 3iqz n GLY 72 Ca -0.18 -1.32 -0.34 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 -2.00 2.77 -0.39 1.61 0.02 -1.26 -4.30 135.00 131.46 3iqz s PRO 73 Ca 0.00 1.60 -0.34 0.00 0.02 0.00 0.00 61.00 62.28 3iqz s PRO 73 Cb 0.00 -1.93 0.05 0.00 0.02 0.00 0.00 34.50 32.64 3iqz s PRO 73 CO 0.00 -1.31 0.58 -1.71 -0.33 0.00 0.00 177.00 174.23 3iqz n ASN 74 N -2.13 -5.65 0.32 2.53 2.85 -1.26 -4.84 115.26 107.07 3iqz n ASN 74 Ca 0.12 -0.08 0.15 0.00 -0.11 0.00 0.00 54.58 54.66 3iqz n ASN 74 Cb 0.51 -1.65 0.77 0.00 1.24 0.00 0.00 39.78 40.64 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 2.30 0.00 0.00 1.20 0.11 -1.87 -0.72 132.00 133.03 3iqz h PRO 75 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iqz h PRO 75 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3iqz h PRO 75 CO 0.20 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 177.58 3iqz n ALA 76 N -1.89 3.13 -1.26 -0.75 0.00 -1.26 -3.63 120.51 114.85 3iqz n ALA 76 Ca -0.01 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.87 3iqz n ALA 76 Cb 0.43 -1.21 0.15 0.00 0.00 0.00 0.00 19.45 18.82 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 1.32 0.07 0.00 0.00 -0.28 -4.75 121.76 115.09 3iqz s ALA 77 Ca 0.11 -0.30 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 3iqz s ALA 77 Cb 0.17 -3.12 -0.16 0.00 0.00 0.00 0.00 23.12 20.01 3iqz s ALA 77 CO 0.67 -2.55 1.66 -1.35 0.00 0.00 0.00 175.76 174.18 3iqz h PRO 78 N -1.69 -0.15 0.41 0.00 0.11 -1.90 0.99 132.00 129.77 3iqz h PRO 78 Ca -0.52 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3iqz h PRO 78 Cb 1.31 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 3iqz h PRO 78 CO 0.58 -0.04 -0.51 0.78 -0.21 0.00 0.00 178.00 178.59 3iqz h GLY 79 N -0.21 -1.22 1.54 -0.55 0.00 -1.83 -0.91 103.07 99.88 3iqz h GLY 79 Ca -0.02 0.60 0.06 0.00 0.00 0.00 0.00 47.33 47.97 3iqz h GLY 79 CO 0.03 -0.35 0.17 -2.55 0.00 0.00 0.00 176.54 173.84 3iqz h PRO 80 N -0.94 0.00 -0.34 4.80 0.11 -1.74 -1.95 132.00 131.93 3iqz h PRO 80 Ca -0.05 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.90 3iqz h PRO 80 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3iqz h PRO 80 CO -0.12 0.00 -0.43 0.77 -0.21 0.00 0.00 178.00 178.01 3iqz h SER 81 N 0.00 0.94 -0.89 -2.05 0.02 -0.12 -1.49 113.55 109.96 3iqz h SER 81 Ca 0.10 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.62 3iqz h SER 81 Cb 0.44 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 3iqz h SER 81 CO -0.00 1.23 0.59 0.50 -1.14 0.00 0.00 176.83 178.01 3iqz h LYS 82 N 0.70 1.15 -0.28 3.45 1.63 -0.44 -1.93 116.57 120.85 3iqz h LYS 82 Ca 0.05 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 3iqz h LYS 82 Cb 1.01 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 3iqz h LYS 82 CO 0.10 0.76 -0.02 0.00 -3.45 0.00 0.00 179.45 176.84 3iqz h ALA 83 N 1.34 0.38 -0.99 5.00 0.00 -1.13 -0.88 119.26 122.97 3iqz h ALA 83 Ca 0.33 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3iqz h ALA 83 Cb -0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3iqz h ALA 83 CO -0.08 0.14 0.65 0.00 0.00 0.00 0.00 179.25 179.95 3iqz h ARG 84 N 0.28 1.19 -0.18 0.00 3.08 -1.05 0.21 114.38 117.90 3iqz h ARG 84 Ca 0.08 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3iqz h ARG 84 Cb 0.46 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3iqz h ARG 84 CO 0.02 0.78 0.01 1.49 -1.07 0.00 0.00 179.97 181.21 3iqz h GLU 85 N 1.22 0.32 -0.64 0.04 4.81 -1.11 0.79 114.58 120.00 3iqz h GLU 85 Ca 0.41 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.48 3iqz h GLU 85 Cb 0.07 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3iqz h GLU 85 CO -0.14 0.50 0.13 0.52 -0.73 0.00 0.00 179.01 179.30 3iqz h MET 86 N 0.09 1.04 -0.25 1.92 2.86 -0.66 -1.56 114.93 118.37 3iqz h MET 86 Ca 0.05 -0.26 -0.19 0.00 -2.06 0.00 0.00 59.70 57.24 3iqz h MET 86 Cb 0.35 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3iqz h MET 86 CO 0.01 0.95 -0.60 -0.07 1.06 0.00 0.00 176.91 178.26 3iqz h LEU 87 N 0.96 0.95 -0.85 1.22 3.38 -0.53 -2.21 115.31 118.23 3iqz h LEU 87 Ca 0.20 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3iqz h LEU 87 Cb 0.39 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3iqz h LEU 87 CO 0.01 1.33 0.56 0.00 0.09 0.00 0.00 178.44 180.43 3iqz h ALA 88 N 0.68 1.10 0.00 1.53 0.00 -0.74 -2.16 119.26 119.67 3iqz h ALA 88 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iqz h ALA 88 Cb 1.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3iqz h ALA 88 CO 0.13 0.45 0.00 -0.25 0.00 0.00 0.00 179.25 179.58 3iqz n ASP 89 N -4.51 0.52 -4.77 0.00 8.00 -0.60 -4.84 116.55 110.35 3iqz n ASP 89 Ca 0.10 0.57 -0.29 0.00 0.71 0.00 0.00 54.79 55.88 3iqz n ASP 89 Cb 0.04 -0.70 0.11 0.00 -0.02 0.00 0.00 41.12 40.55 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 -3.97 4.27 0.00 -2.24 1.04 -0.81 -4.98 113.70 107.00 3iqz s SER 90 Ca 0.10 0.69 0.30 0.00 0.48 0.00 0.00 55.95 57.51 3iqz s SER 90 Cb 0.13 -1.11 1.37 0.00 0.10 0.00 0.00 66.02 66.51 3iqz s SER 90 CO 0.50 -2.05 1.97 -1.84 0.98 0.00 0.00 173.24 172.80 3iqz n GLU 91 N -3.40 0.33 -3.69 4.02 0.28 -1.26 -4.89 120.64 112.04 3iqz n GLU 91 Ca 0.09 -0.03 -0.37 0.00 -0.16 0.00 0.00 57.16 56.70 3iqz n GLU 91 Cb 0.61 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.91 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 -2.69 3.54 0.35 -1.84 2.02 -1.26 -5.06 117.35 112.41 3iqz s TYR 92 Ca 0.24 0.57 -0.28 0.00 -0.37 0.00 0.00 57.07 57.23 3iqz s TYR 92 Cb 0.20 -2.15 -0.11 0.00 -0.40 0.00 0.00 41.96 39.49 3iqz s TYR 92 CO 0.49 0.49 1.45 -2.30 -1.57 0.00 0.00 175.55 174.11 3iqz n PRO 93 N 2.74 2.54 -4.07 -1.71 -0.02 -1.26 -4.80 135.00 128.41 3iqz n PRO 93 Ca -0.16 0.89 -0.13 0.00 -2.02 0.00 0.00 63.50 62.08 3iqz n PRO 93 Cb 0.53 -2.59 -0.12 0.00 -0.02 0.00 0.00 33.50 31.30 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 -0.94 0.48 -0.06 3.55 0.00 -1.26 -0.65 121.76 122.89 3iqz s ALA 94 Ca 0.55 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.97 3iqz s ALA 94 Cb -0.50 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 3iqz s ALA 94 CO 0.61 -0.00 -0.20 0.08 0.00 0.00 0.00 175.76 176.25 3iqz s VAL 95 N -1.03 1.67 -0.25 0.00 1.01 -0.13 -1.21 120.40 120.46 3iqz s VAL 95 Ca -0.07 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 60.99 3iqz s VAL 95 Cb -0.08 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3iqz s VAL 95 CO 0.00 0.47 0.09 -0.63 0.00 0.00 0.00 175.10 175.03 3iqz s ILE 96 N 0.09 4.47 -0.24 2.22 -1.09 0.40 -0.60 121.20 126.45 3iqz s ILE 96 Ca -0.07 -0.12 -0.14 0.00 -2.23 0.00 0.00 60.65 58.09 3iqz s ILE 96 Cb -0.13 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 3iqz s ILE 96 CO 0.04 0.33 0.33 -0.63 -1.23 0.00 0.00 174.94 173.77 3iqz s ILE 97 N 1.60 5.23 0.00 2.92 -1.09 0.13 -0.92 121.20 129.08 3iqz s ILE 97 Ca 0.06 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 3iqz s ILE 97 Cb -0.15 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 3iqz s ILE 97 CO 0.05 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 3iqz n GLY 98 N 4.31 3.91 0.00 6.18 0.00 -0.58 -2.11 105.19 116.90 3iqz n GLY 98 Ca -0.10 -1.29 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 1.92 -0.23 1.61 3.85 -1.26 -1.13 116.55 120.27 3iqz n ASP 99 Ca 0.00 -0.85 -0.02 0.00 -0.71 0.00 0.00 54.79 53.20 3iqz n ASP 99 Cb 0.00 0.00 0.16 0.00 -1.35 0.00 0.00 41.12 39.93 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 0.97 1.26 0.00 2.12 0.00 -1.78 -1.16 119.26 120.66 3iqz h ALA 100 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iqz h ALA 100 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3iqz h ALA 100 CO 0.00 0.58 0.11 -1.35 0.00 0.00 0.00 179.25 178.59 3iqz h PRO 101 N 1.04 0.00 0.00 0.00 0.11 -1.96 -0.17 132.00 131.02 3iqz h PRO 101 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3iqz h PRO 101 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3iqz h PRO 101 CO -0.03 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.54 3iqz h GLY 102 N 0.00 0.00 2.00 -0.55 0.00 -1.57 -2.85 103.07 100.10 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 -0.04 1.41 0.00 0.00 0.00 176.54 177.91 3iqz h LEU 103 N 0.00 0.00 -1.86 3.11 3.38 -1.19 -1.71 115.31 117.04 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 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3iqz h LEU 103 CO 0.00 0.04 -0.14 0.11 0.09 0.00 0.00 178.44 178.54 3iqz h LYS 104 N 0.00 0.00 -0.15 1.13 1.57 -1.72 -2.71 116.57 114.68 3iqz h LYS 104 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3iqz h LYS 104 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3iqz h LYS 104 CO 0.01 0.14 -0.03 1.33 -0.57 0.00 0.00 179.45 180.32 3iqz n VAL 105 N -3.92 2.15 0.01 0.50 0.24 -0.66 -4.73 118.33 111.93 3iqz n VAL 105 Ca -0.02 -2.20 -0.10 0.00 -2.04 0.00 0.00 64.34 59.99 3iqz n VAL 105 Cb 0.23 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.31 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 0.95 -0.18 -0.51 7.34 3.64 -1.33 0.01 116.57 126.50 3iqz h LYS 106 Ca 0.02 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3iqz h LYS 106 Cb 1.26 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3iqz h LYS 106 CO 0.14 -0.12 0.16 -0.44 -2.27 0.00 0.00 179.45 176.92 3iqz h ASP 107 N -0.19 0.73 -0.54 4.20 3.32 -1.85 -2.36 116.42 119.74 3iqz h ASP 107 Ca 0.08 -0.20 0.10 0.00 0.02 0.00 0.00 57.03 57.03 3iqz h ASP 107 Cb 0.30 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.58 3iqz h ASP 107 CO -0.21 0.74 0.05 -0.08 -1.72 0.00 0.00 179.24 178.02 3iqz h GLU 108 N 0.68 0.17 -0.96 3.56 4.81 -1.79 -1.23 114.58 119.82 3iqz h GLU 108 Ca 0.16 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3iqz h GLU 108 Cb 0.26 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 3iqz h GLU 108 CO -0.01 0.11 0.64 0.52 -0.73 0.00 0.00 179.01 179.54 3iqz h MET 109 N 0.17 1.27 -0.46 1.92 2.86 -0.50 0.14 114.93 120.33 3iqz h MET 109 Ca 0.28 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 3iqz h MET 109 Cb 0.42 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3iqz h MET 109 CO -0.41 0.84 -0.08 0.93 1.06 0.00 0.00 176.91 179.25 3iqz h GLU 110 N 1.30 0.82 -0.34 1.72 5.08 -1.03 -0.46 114.58 121.68 3iqz h GLU 110 Ca 0.35 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3iqz h GLU 110 Cb -0.15 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3iqz h GLU 110 CO -0.08 0.88 -0.14 1.49 -1.00 0.00 0.00 179.01 180.16 3iqz h GLU 111 N 0.75 0.60 0.00 2.33 4.81 -0.63 -1.87 114.58 120.57 3iqz h GLU 111 Ca 0.13 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3iqz h GLU 111 Cb 0.56 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3iqz h GLU 111 CO 0.03 0.72 0.00 1.04 -0.73 0.00 0.00 179.01 180.08 3iqz n GLN 112 N -4.17 0.01 -1.22 1.92 6.02 0.45 -4.88 117.38 115.50 3iqz n GLN 112 Ca 0.01 0.17 -0.01 0.00 -0.01 0.00 0.00 57.00 57.16 3iqz n GLN 112 Cb 0.35 -1.52 -0.00 0.00 1.02 0.00 0.00 30.24 30.09 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 0.52 0.44 3.91 1.08 0.00 -0.70 -4.78 105.19 105.66 3iqz n GLY 113 Ca 0.05 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.27 4.32 0.58 0.99 1.43 -0.25 -4.76 118.68 120.73 3iqz s LEU 114 Ca 0.00 0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.30 3iqz s LEU 114 Cb 0.00 -2.85 -0.00 0.00 0.03 0.00 0.00 46.19 43.37 3iqz s LEU 114 CO 0.00 0.19 0.90 -0.83 0.23 0.00 0.00 176.35 176.84 3iqz s GLY 115 N -2.38 1.59 0.05 -3.19 0.00 -0.35 -4.34 107.32 98.71 3iqz s GLY 115 Ca 0.33 -0.60 -0.18 0.00 0.00 0.00 0.00 44.72 44.27 3iqz s GLY 115 CO 0.26 -0.33 0.41 -2.52 0.00 0.00 0.00 173.10 170.92 3iqz s TYR 116 N -2.99 -0.27 -0.19 1.90 1.13 0.60 -0.45 117.35 117.09 3iqz s TYR 116 Ca 0.53 0.22 -0.03 0.00 -1.41 0.00 0.00 57.07 56.38 3iqz s TYR 116 Cb -0.11 0.22 0.06 0.00 -1.10 0.00 0.00 41.96 41.04 3iqz s TYR 116 CO 0.46 -0.58 0.04 0.42 -2.51 0.00 0.00 175.55 173.39 3iqz s ILE 117 N -2.52 0.44 -0.22 -3.49 1.01 -0.09 -1.21 121.20 115.11 3iqz s ILE 117 Ca -0.05 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 3iqz s ILE 117 Cb -0.01 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3iqz s ILE 117 CO -0.03 -0.22 0.04 -0.76 0.00 0.00 0.00 174.94 173.98 3iqz s LEU 118 N 1.90 3.40 -0.51 2.97 1.43 -0.06 -1.53 118.68 126.26 3iqz s LEU 118 Ca -0.01 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3iqz s LEU 118 Cb -0.17 -1.89 0.13 0.00 0.03 0.00 0.00 46.19 44.30 3iqz s LEU 118 CO -0.08 0.02 0.35 -0.69 0.23 0.00 0.00 176.35 176.18 3iqz s VAL 119 N 1.27 3.88 0.16 -1.59 1.01 -0.29 -0.28 120.40 124.57 3iqz s VAL 119 Ca 0.04 -2.20 -0.15 0.00 0.00 0.00 0.00 61.98 59.67 3iqz s VAL 119 Cb -0.15 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.71 3iqz s VAL 119 CO 0.02 -0.79 1.81 0.11 0.00 0.00 0.00 175.10 176.26 3iqz h LYS 120 N 7.93 0.54 0.00 2.72 1.57 -1.56 -1.75 116.57 126.03 3iqz h LYS 120 Ca -0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3iqz h LYS 120 Cb 1.03 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3iqz h LYS 120 CO 0.77 0.36 0.00 -2.30 -0.57 0.00 0.00 179.45 177.71 3iqz n PRO 121 N -4.81 0.13 -2.62 3.15 -0.02 -1.26 -4.26 135.00 125.30 3iqz n PRO 121 Ca 0.02 0.18 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 3iqz n PRO 121 Cb 0.05 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.24 4.97 -4.81 2.55 -0.08 -0.66 -4.38 116.55 112.90 3iqz n ASP 122 Ca 0.04 -2.96 -0.36 0.00 -1.51 0.00 0.00 54.79 50.00 3iqz n ASP 122 Cb 0.05 -1.64 -0.06 0.00 2.34 0.00 0.00 41.12 41.81 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 2.63 3.39 0.34 -1.67 0.00 -1.26 -4.71 121.76 120.48 3iqz s ALA 123 Ca 0.47 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 3iqz s ALA 123 Cb 0.03 -2.86 -0.11 0.00 0.00 0.00 0.00 23.12 20.19 3iqz s ALA 123 CO 0.02 0.31 1.42 1.41 0.00 0.00 0.00 175.76 178.93 3iqz s MET 124 N -2.00 4.22 0.79 0.00 1.75 -1.26 -4.91 119.30 117.89 3iqz s MET 124 Ca 0.44 2.41 -0.05 0.00 -1.25 0.00 0.00 55.69 57.24 3iqz s MET 124 Cb -0.17 -3.03 0.15 0.00 2.84 0.00 0.00 34.83 34.63 3iqz s MET 124 CO 0.21 -0.40 1.09 -0.48 -0.65 0.00 0.00 175.02 174.79 3iqz s LEU 125 N -1.68 2.90 -1.31 4.11 0.05 -1.26 -4.50 118.68 116.99 3iqz s LEU 125 Ca 0.53 -0.24 -0.13 0.00 0.05 0.00 0.00 54.13 54.34 3iqz s LEU 125 Cb -0.44 -1.99 0.12 0.00 -2.05 0.00 0.00 46.19 41.83 3iqz s LEU 125 CO 0.56 -2.12 1.85 0.61 -0.55 0.00 0.00 176.35 176.70 3iqz n GLY 126 N -3.09 4.07 3.06 -3.48 0.00 -1.26 -4.86 105.19 99.62 3iqz n GLY 126 Ca 0.16 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 5.45 4.82 -2.69 4.61 0.00 -1.26 -4.33 120.51 127.11 3iqz n ALA 127 Ca 0.43 -4.04 -0.30 0.00 0.00 0.00 0.00 53.44 49.54 3iqz n ALA 127 Cb 0.40 -3.34 -0.16 0.00 0.00 0.00 0.00 19.45 16.34 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 2.47 2.29 0.36 0.00 1.81 -1.26 -4.94 118.95 119.68 3iqz s ARG 128 Ca 0.46 -0.84 0.08 0.00 -1.72 0.00 0.00 55.73 53.70 3iqz s ARG 128 Cb 0.08 -1.99 0.79 0.00 -0.45 0.00 0.00 34.95 33.38 3iqz s ARG 128 CO -0.01 0.39 1.93 -0.09 -0.68 0.00 0.00 175.30 176.83 3iqz h ARG 129 N 5.99 0.69 0.00 3.54 2.43 -1.90 0.12 114.38 125.26 3iqz h ARG 129 Ca -0.34 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3iqz h ARG 129 Cb 1.17 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3iqz h ARG 129 CO 0.47 0.46 0.00 0.39 -1.51 0.00 0.00 179.97 179.78 3iqz n GLU 130 N -4.50 0.07 0.00 0.20 4.71 -1.26 -3.77 120.64 116.10 3iqz n GLU 130 Ca 0.13 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 57.71 3iqz n GLU 130 Cb 0.32 -1.68 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 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 -1.83 0.00 -2.99 -0.32 7.35 -0.17 -4.99 117.46 114.51 3iqz n PHE 131 Ca 0.01 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.26 3iqz n PHE 131 Cb 0.11 0.05 -0.04 0.00 0.35 0.00 0.00 39.48 39.95 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 -5.50 4.90 0.00 -2.13 2.96 0.26 -4.88 118.68 114.29 3iqz s LEU 132 Ca 0.00 -1.22 0.08 0.00 -0.22 0.00 0.00 54.13 52.77 3iqz s LEU 132 Cb 0.00 -2.36 0.08 0.00 0.50 0.00 0.00 46.19 44.42 3iqz s LEU 132 CO 0.00 -1.28 0.69 -0.90 -1.32 0.00 0.00 176.35 173.55 3iqz n ASP 133 N 7.00 1.75 -0.35 3.68 5.75 -1.26 -4.72 116.55 128.40 3iqz n ASP 133 Ca -0.07 -2.28 -0.00 0.00 -0.01 0.00 0.00 54.79 52.43 3iqz n ASP 133 Cb 0.44 -0.37 0.13 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.16 -0.46 0.11 0.11 -1.99 -1.47 132.00 129.46 3iqz h PRO 134 Ca -0.23 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 3iqz h PRO 134 Cb 1.06 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 3iqz h PRO 134 CO 0.33 0.77 0.19 0.28 -0.21 0.00 0.00 178.00 179.36 3iqz h VAL 135 N 1.20 1.20 -0.42 3.15 2.07 -1.98 -1.16 116.25 120.30 3iqz h VAL 135 Ca 0.38 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3iqz h VAL 135 Cb 0.01 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3iqz h VAL 135 CO -0.12 0.23 0.09 -0.08 0.02 0.00 0.00 177.57 177.70 3iqz h GLU 136 N 0.61 0.68 -0.81 1.57 4.57 -1.83 -0.20 114.58 119.16 3iqz h GLU 136 Ca 0.16 -0.17 0.12 0.00 -1.18 0.00 0.00 59.36 58.28 3iqz h GLU 136 Cb 0.18 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.60 3iqz h GLU 136 CO -0.01 0.70 0.42 1.98 -1.18 0.00 0.00 179.01 180.92 3iqz h MET 137 N 0.54 0.64 -0.19 1.92 4.05 -1.10 -0.64 114.93 120.15 3iqz h MET 137 Ca 0.13 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.39 3iqz h MET 137 Cb 0.34 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 3iqz h MET 137 CO 0.00 0.42 -0.35 0.00 0.23 0.00 0.00 176.91 177.22 3iqz h ALA 138 N 1.50 0.30 -0.71 0.39 0.00 -0.64 -1.87 119.26 118.23 3iqz h ALA 138 Ca 0.42 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.99 3iqz h ALA 138 Cb 0.51 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 3iqz h ALA 138 CO -0.31 0.36 0.34 0.82 0.00 0.00 0.00 179.25 180.46 3iqz h ILE 139 N 0.24 0.83 -0.59 0.00 2.04 -0.86 -0.52 117.51 118.65 3iqz h ILE 139 Ca 0.01 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 3iqz h ILE 139 Cb 0.94 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3iqz h ILE 139 CO 0.08 0.10 0.01 0.22 0.00 0.00 0.00 178.15 178.56 3iqz h TYR 140 N 0.57 1.13 -0.42 1.37 3.20 -1.04 -2.17 116.97 119.62 3iqz h TYR 140 Ca 0.35 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3iqz h TYR 140 Cb 0.39 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3iqz h TYR 140 CO -0.12 1.00 0.25 -0.91 -1.64 0.00 0.00 178.16 176.74 3iqz h ASN 141 N 0.93 0.50 -0.30 -2.11 2.35 -0.72 -1.01 115.58 115.22 3iqz h ASN 141 Ca 0.17 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 3iqz h ASN 141 Cb 0.54 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3iqz h ASN 141 CO 0.03 0.39 -0.28 0.00 -1.65 0.00 0.00 177.43 175.92 3iqz h ALA 142 N 1.70 0.44 -0.43 -0.83 0.00 -0.53 0.26 119.26 119.87 3iqz h ALA 142 Ca 0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3iqz h ALA 142 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3iqz h ALA 142 CO -0.03 0.45 0.14 -0.44 0.00 0.00 0.00 179.25 179.38 3iqz h ASP 143 N 0.47 0.61 -0.68 0.00 3.32 -1.18 -2.11 116.42 116.85 3iqz h ASP 143 Ca 0.05 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 3iqz h ASP 143 Cb 0.84 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3iqz h ASP 143 CO 0.07 0.64 0.17 0.25 -1.72 0.00 0.00 179.24 178.66 3iqz h LEU 144 N 0.55 1.03 -0.99 1.55 5.85 -1.07 -1.37 115.31 120.86 3iqz h LEU 144 Ca 0.14 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3iqz h LEU 144 Cb 0.24 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3iqz h LEU 144 CO -0.01 0.99 0.21 -0.03 -0.34 0.00 0.00 178.44 179.27 3iqz h MET 145 N 1.02 0.95 -0.59 1.25 4.05 -0.84 0.11 114.93 120.87 3iqz h MET 145 Ca 0.21 -0.17 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 3iqz h MET 145 Cb 0.36 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 3iqz h MET 145 CO 0.00 0.80 0.05 -0.22 0.23 0.00 0.00 176.91 177.77 3iqz h LYS 146 N 0.92 1.00 -0.18 0.39 1.63 -0.99 -0.02 116.57 119.31 3iqz h LYS 146 Ca 0.21 -0.28 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 3iqz h LYS 146 Cb 0.24 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 3iqz h LYS 146 CO -0.01 0.95 -0.05 0.28 -3.45 0.00 0.00 179.45 177.17 3iqz h VAL 147 N 0.93 1.29 0.00 2.00 2.07 -0.70 -0.65 116.25 121.19 3iqz h VAL 147 Ca 0.18 -1.02 -0.13 0.00 0.82 0.00 0.00 66.70 66.56 3iqz h VAL 147 Cb 0.47 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3iqz h VAL 147 CO 0.02 0.30 -0.60 -0.07 0.02 0.00 0.00 177.57 177.25 3iqz h LEU 148 N 0.06 0.00 0.09 2.57 3.38 -0.69 -2.29 115.31 118.44 3iqz h LEU 148 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3iqz h LEU 148 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3iqz h LEU 148 CO 0.02 0.60 -0.04 0.00 0.09 0.00 0.00 178.44 179.10 3iqz h ALA 149 N 1.40 -0.12 0.00 1.53 0.00 -0.96 -1.11 119.26 120.00 3iqz h ALA 149 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3iqz h ALA 149 Cb 1.11 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3iqz h ALA 149 CO 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 179.25 179.15 3iqz h ALA 150 N -0.94 1.00 0.00 0.00 0.00 -1.14 -1.32 119.26 116.85 3iqz h ALA 150 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iqz h ALA 150 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3iqz h ALA 150 CO 0.02 0.08 0.00 1.79 0.00 0.00 0.00 179.25 181.14 3iqz h THR 151 N 0.00 0.00 0.00 0.00 1.35 -1.59 -3.44 112.91 109.23 3iqz h THR 151 Ca -0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3iqz h THR 151 Cb 0.66 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3iqz h THR 151 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3iqz n GLY 152 N 0.99 0.64 0.18 5.82 0.00 -0.50 -4.98 105.19 107.34 3iqz n GLY 152 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 1.08 0.00 1.61 2.07 -1.62 -2.51 116.25 116.88 3iqz h VAL 153 Ca 0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3iqz h VAL 153 Cb 0.00 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3iqz h VAL 153 CO 0.00 0.10 -0.02 -0.26 0.02 0.00 0.00 177.57 177.40 3iqz h PHE 154 N 0.53 0.00 -0.42 1.57 0.05 -1.47 -1.52 116.94 115.69 3iqz h PHE 154 Ca 0.16 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.84 3iqz h PHE 154 Cb -0.03 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 3iqz h PHE 154 CO -0.06 0.02 -0.14 -0.09 -0.18 0.00 0.00 178.31 177.86 3iqz h ARG 155 N 0.00 0.84 -0.74 1.51 2.43 -1.74 0.25 114.38 116.92 3iqz h ARG 155 Ca -0.00 -0.34 0.03 0.00 -0.81 0.00 0.00 59.98 58.86 3iqz h ARG 155 Cb 0.05 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 3iqz h ARG 155 CO 0.00 0.97 0.47 0.28 -1.51 0.00 0.00 179.97 180.18 3iqz h VAL 156 N 0.66 1.10 -0.31 0.20 2.07 -1.01 -0.25 116.25 118.71 3iqz h VAL 156 Ca 0.10 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3iqz h VAL 156 Cb 0.69 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3iqz h VAL 156 CO 0.05 0.17 -0.02 0.58 0.02 0.00 0.00 177.57 178.36 3iqz h VAL 157 N 0.91 1.27 -0.31 2.57 2.07 -1.26 -2.31 116.25 119.19 3iqz h VAL 157 Ca 0.30 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.88 3iqz h VAL 157 Cb 0.02 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 3iqz h VAL 157 CO -0.11 0.32 -0.14 -0.61 0.02 0.00 0.00 177.57 177.06 3iqz h GLN 158 N 0.35 -0.08 -0.65 1.57 4.15 -0.56 -2.15 115.11 117.73 3iqz h GLN 158 Ca 0.09 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.57 3iqz h GLN 158 Cb 0.48 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 3iqz h GLN 158 CO 0.02 -0.06 0.35 0.93 -1.93 0.00 0.00 178.83 178.15 3iqz h GLU 159 N -0.09 0.63 -0.24 1.69 5.08 -0.96 -0.91 114.58 119.78 3iqz h GLU 159 Ca 0.16 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3iqz h GLU 159 Cb 0.32 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3iqz h GLU 159 CO -0.36 0.42 0.13 0.00 -1.00 0.00 0.00 179.01 178.19 3iqz h ALA 160 N 1.35 0.31 -0.44 3.43 0.00 -0.92 -0.90 119.26 122.09 3iqz h ALA 160 Ca 0.30 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3iqz h ALA 160 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3iqz h ALA 160 CO -0.19 -0.17 0.02 0.74 0.00 0.00 0.00 179.25 179.65 3iqz h PHE 161 N 0.28 0.82 -0.96 0.00 -1.00 -1.25 -2.33 116.94 112.50 3iqz h PHE 161 Ca 0.08 -0.14 0.07 0.00 2.81 0.00 0.00 57.97 60.80 3iqz h PHE 161 Cb 0.06 -0.22 -0.07 0.00 3.61 0.00 0.00 35.95 39.34 3iqz h PHE 161 CO -0.04 0.81 0.62 -0.44 -1.61 0.00 0.00 178.31 177.65 3iqz h ASP 162 N 0.60 0.96 -0.58 2.17 3.45 -0.88 0.30 116.42 122.45 3iqz h ASP 162 Ca 0.13 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.56 3iqz h ASP 162 Cb 0.47 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 3iqz h ASP 162 CO 0.02 0.60 0.22 -0.33 -1.57 0.00 0.00 179.24 178.18 3iqz h GLU 163 N 1.08 0.87 -0.61 3.56 5.08 -1.02 -1.81 114.58 121.73 3iqz h GLU 163 Ca 0.42 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 3iqz h GLU 163 Cb 0.24 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3iqz h GLU 163 CO -0.17 0.76 0.12 1.25 -1.00 0.00 0.00 179.01 179.96 3iqz h LEU 164 N 0.80 0.96 -0.85 1.33 5.85 -0.61 -2.52 115.31 120.26 3iqz h LEU 164 Ca 0.19 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3iqz h LEU 164 Cb 0.22 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3iqz h LEU 164 CO -0.01 0.97 0.50 0.40 -0.34 0.00 0.00 178.44 179.96 3iqz h ILE 165 N 0.91 1.24 -0.82 4.05 2.04 -0.29 0.04 117.51 124.68 3iqz h ILE 165 Ca 0.19 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3iqz h ILE 165 Cb 0.40 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 3iqz h ILE 165 CO 0.01 0.26 0.51 -0.33 0.00 0.00 0.00 178.15 178.60 3iqz h GLU 166 N 1.17 1.10 -0.58 2.37 4.39 -1.13 -2.14 114.58 119.76 3iqz h GLU 166 Ca 0.30 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.83 3iqz h GLU 166 Cb -0.03 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.36 3iqz h GLU 166 CO -0.06 0.75 0.01 0.87 -1.16 0.00 0.00 179.01 179.43 3iqz h LYS 167 N 1.13 1.02 0.00 2.33 1.79 -0.94 -2.04 116.57 119.85 3iqz h LYS 167 Ca 0.30 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3iqz h LYS 167 Cb -0.08 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.48 3iqz h LYS 167 CO -0.06 1.00 -0.01 0.00 -1.08 0.00 0.00 179.45 179.30 3iqz h ALA 168 N 0.98 1.83 0.00 3.86 0.00 -0.47 -0.71 119.26 124.75 3iqz h ALA 168 Ca 0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3iqz h ALA 168 Cb 0.53 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3iqz h ALA 168 CO 0.03 0.01 -0.84 0.87 0.00 0.00 0.00 179.25 179.32 3iqz h LYS 169 N 0.00 0.00 0.00 0.00 1.57 -0.99 -2.45 116.57 114.70 3iqz h LYS 169 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iqz h LYS 169 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3iqz h LYS 169 CO 0.00 0.51 0.00 0.39 -0.57 0.00 0.00 179.45 179.79 3iqz n GLU 170 N -3.15 0.22 0.00 3.15 -0.58 -0.37 -4.91 120.64 115.00 3iqz n GLU 170 Ca -0.02 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3iqz n GLU 170 Cb 0.80 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 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 -1.33 0.00 -3.99 1.62 4.64 -0.65 -4.98 116.55 111.86 3iqz n ASP 171 Ca 0.08 0.00 -0.26 0.00 -1.38 0.00 0.00 54.79 53.23 3iqz n ASP 171 Cb 0.17 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.08 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 -0.40 1.75 -0.38 -0.67 8.01 -1.24 -5.01 118.70 120.76 3iqz s GLU 172 Ca 0.00 -0.39 -0.04 0.00 0.01 0.00 0.00 54.97 54.55 3iqz s GLU 172 Cb 0.00 -1.58 0.08 0.00 -4.31 0.00 0.00 34.13 28.33 3iqz s GLU 172 CO 0.00 -0.10 0.15 0.42 0.01 0.00 0.00 175.26 175.74 3iqz s ILE 173 N 1.11 3.45 0.60 -1.63 1.01 -1.26 -4.70 121.20 119.78 3iqz s ILE 173 Ca -0.06 -1.66 -0.04 0.00 0.00 0.00 0.00 60.65 58.88 3iqz s ILE 173 Cb -0.14 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.18 3iqz s ILE 173 CO -0.02 -0.46 0.89 -0.94 0.00 0.00 0.00 174.94 174.41 3iqz s SER 174 N 1.70 5.34 0.53 3.58 1.04 -1.26 -4.92 113.70 119.72 3iqz s SER 174 Ca 0.03 0.48 0.22 0.00 0.48 0.00 0.00 55.95 57.16 3iqz s SER 174 Cb -0.22 -1.38 1.38 0.00 0.10 0.00 0.00 66.02 65.90 3iqz s SER 174 CO -0.01 -1.20 2.06 -0.33 0.98 0.00 0.00 173.24 174.74 3iqz h GLU 175 N -0.20 0.00 0.00 4.02 5.08 -1.98 -0.40 114.58 121.10 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 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3iqz h GLU 175 CO 0.59 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.69 3iqz h ASN 176 N 0.00 0.00 0.38 1.42 2.35 -1.98 -2.52 115.58 115.24 3iqz h ASN 176 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3iqz h ASN 176 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3iqz h ASN 176 CO -0.00 0.00 -1.58 0.47 -1.65 0.00 0.00 177.43 174.67 3iqz n ASP 177 N -2.48 0.35 -4.73 5.81 10.43 -0.16 -4.93 116.55 120.84 3iqz n ASP 177 Ca -0.00 0.10 -0.42 0.00 2.57 0.00 0.00 54.79 57.04 3iqz n ASP 177 Cb 0.13 1.37 -0.03 0.00 1.84 0.00 0.00 41.12 44.43 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 -4.78 4.39 0.54 0.64 1.43 -0.95 -4.84 118.68 115.12 3iqz s LEU 178 Ca -0.05 2.40 -0.21 0.00 -1.03 0.00 0.00 54.13 55.24 3iqz s LEU 178 Cb 0.12 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 3iqz s LEU 178 CO 0.86 -0.61 1.28 -2.16 0.23 0.00 0.00 176.35 175.96 3iqz s PRO 179 N 0.43 3.20 -0.43 1.29 0.04 -1.26 -4.84 135.00 133.43 3iqz s PRO 179 Ca 0.61 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.73 3iqz s PRO 179 Cb -0.37 -2.20 0.17 0.00 0.04 0.00 0.00 34.50 32.14 3iqz s PRO 179 CO 0.35 -1.08 0.35 0.15 0.04 0.00 0.00 177.00 176.81 3iqz s LYS 180 N -2.97 1.03 -0.04 4.56 1.02 -1.21 -0.29 119.74 121.83 3iqz s LYS 180 Ca 0.72 -2.21 0.05 0.00 0.02 0.00 0.00 55.97 54.55 3iqz s LYS 180 Cb -0.36 -1.58 -0.02 0.00 -0.52 0.00 0.00 37.83 35.36 3iqz s LYS 180 CO 0.41 -1.38 -0.19 -0.51 -0.92 0.00 0.00 175.35 172.76 3iqz s LEU 181 N -0.06 2.44 -0.17 3.17 1.43 -0.35 -4.98 118.68 120.15 3iqz s LEU 181 Ca 0.32 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3iqz s LEU 181 Cb 0.03 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.81 3iqz s LEU 181 CO -0.20 0.33 -0.19 -0.69 0.23 0.00 0.00 176.35 175.83 3iqz s VAL 182 N -0.62 1.99 -0.12 -1.59 1.01 -1.26 -0.89 120.40 118.91 3iqz s VAL 182 Ca 0.09 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3iqz s VAL 182 Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3iqz s VAL 182 CO 0.00 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 174.97 3iqz s ILE 183 N 1.30 4.01 0.01 2.22 1.01 0.61 -4.93 121.20 125.43 3iqz s ILE 183 Ca 0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 3iqz s ILE 183 Cb -0.13 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.62 3iqz s ILE 183 CO -0.12 0.54 0.01 -0.90 0.00 0.00 0.00 174.94 174.47 3iqz n ASP 184 N 2.94 -0.03 -0.30 3.58 5.68 -1.26 -1.47 116.55 125.69 3iqz n ASP 184 Ca -0.18 -1.02 0.13 0.00 -0.50 0.00 0.00 54.79 53.21 3iqz n ASP 184 Cb 0.53 0.05 0.28 0.00 -1.14 0.00 0.00 41.12 40.84 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 0.16 0.00 0.11 2.43 -1.88 -0.66 114.38 114.53 3iqz h ARG 185 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3iqz h ARG 185 Cb 0.02 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3iqz h ARG 185 CO 0.01 0.10 0.00 -0.91 -1.51 0.00 0.00 179.97 177.66 3iqz h ASN 186 N 0.16 0.00 -0.92 -3.80 2.35 -1.96 -2.89 115.58 108.52 3iqz h ASN 186 Ca 0.55 0.00 0.20 0.00 -0.55 0.00 0.00 56.30 56.49 3iqz h ASN 186 Cb 1.11 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.41 3iqz h ASN 186 CO -0.70 0.00 0.60 0.74 -1.65 0.00 0.00 177.43 176.42 3iqz h THR 187 N 0.00 0.70 0.00 2.81 2.02 -1.47 -0.78 112.91 116.18 3iqz h THR 187 Ca 0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3iqz h THR 187 Cb 0.56 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3iqz h THR 187 CO 0.00 0.09 -0.12 -0.07 0.37 0.00 0.00 175.52 175.79 3iqz h LEU 188 N 0.48 0.00 -2.07 2.58 3.38 -1.66 -2.29 115.31 115.74 3iqz h LEU 188 Ca 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 3iqz h LEU 188 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3iqz h LEU 188 CO -0.21 0.12 -0.06 -0.07 0.09 0.00 0.00 178.44 178.31 3iqz h LEU 189 N 0.00 0.00 -1.90 1.67 3.38 -1.34 -2.54 115.31 114.57 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 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3iqz h LEU 189 CO 0.02 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 177.99 3iqz n GLU 190 N -3.39 2.24 -4.57 1.13 1.02 -0.86 -4.96 120.64 111.26 3iqz n GLU 190 Ca -0.02 -1.88 -0.30 0.00 -0.02 0.00 0.00 57.16 54.94 3iqz n GLU 190 Cb 0.21 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.58 2.16 -0.22 3.49 0.52 -0.96 -5.04 118.95 117.32 3iqz s ARG 191 Ca 0.36 -2.25 0.12 0.00 -0.52 0.00 0.00 55.73 53.45 3iqz s ARG 191 Cb 0.21 -1.66 0.44 0.00 0.52 0.00 0.00 34.95 34.45 3iqz s ARG 191 CO 0.29 -0.31 1.20 0.39 0.02 0.00 0.00 175.30 176.89 3iqz n GLU 192 N -1.27 2.07 -0.01 3.54 -0.58 -1.26 -4.84 120.64 118.29 3iqz n GLU 192 Ca -0.13 -3.45 -0.09 0.00 -0.42 0.00 0.00 57.16 53.07 3iqz n GLU 192 Cb 0.66 -1.65 -0.03 0.00 -0.57 0.00 0.00 31.44 29.86 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 1.50 -0.19 -5.32 3.49 4.57 -1.96 -3.42 114.58 113.24 3iqz h GLU 193 Ca 0.08 0.01 -0.63 0.00 -1.18 0.00 0.00 59.36 57.65 3iqz h GLU 193 Cb 1.30 0.04 -0.18 0.00 -0.16 0.00 0.00 28.75 29.75 3iqz h GLU 193 CO 0.27 -0.13 -0.61 -0.06 -1.18 0.00 0.00 179.01 177.30 3iqz s PHE 194 N -6.13 3.16 0.17 0.92 0.08 -1.26 -4.64 117.98 110.27 3iqz s PHE 194 Ca -0.14 -0.07 -0.04 0.00 0.12 0.00 0.00 56.93 56.80 3iqz s PHE 194 Cb 0.11 -2.02 0.05 0.00 -0.57 0.00 0.00 43.02 40.59 3iqz s PHE 194 CO 0.68 0.10 1.45 1.49 -0.10 0.00 0.00 175.22 178.83 3iqz h GLU 195 N 6.62 0.54 -5.51 0.44 4.22 -1.83 -3.43 114.58 115.63 3iqz h GLU 195 Ca -0.35 -0.39 -0.60 0.00 0.08 0.00 0.00 59.36 58.10 3iqz h GLU 195 Cb 1.18 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.39 3iqz h GLU 195 CO 0.67 1.01 -0.17 1.21 -2.18 0.00 0.00 179.01 179.55 3iqz s ASN 196 N -6.97 6.51 0.47 1.04 2.47 -1.26 -4.99 114.94 112.21 3iqz s ASN 196 Ca -0.07 0.60 0.19 0.00 0.42 0.00 0.00 52.86 54.00 3iqz s ASN 196 Cb 0.11 -2.25 1.17 0.00 -1.45 0.00 0.00 41.25 38.82 3iqz s ASN 196 CO 0.85 -0.07 2.02 1.55 -3.72 0.00 0.00 177.10 177.72 3iqz h PRO 197 N 7.23 0.00 -0.01 0.43 0.13 -2.00 -2.07 132.00 135.70 3iqz h PRO 197 Ca -0.37 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.64 3iqz h PRO 197 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3iqz h PRO 197 CO 0.73 0.17 -0.58 1.88 -0.23 0.00 0.00 178.00 179.97 3iqz h TYR 198 N 0.00 0.05 -0.33 1.56 0.05 -1.98 -1.82 116.97 114.50 3iqz h TYR 198 Ca -0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3iqz h TYR 198 Cb 0.34 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 3iqz h TYR 198 CO 0.00 0.61 0.22 0.00 -1.05 0.00 0.00 178.16 177.94 3iqz h ALA 199 N 1.39 0.42 -0.17 3.88 0.00 -1.70 -0.25 119.26 122.83 3iqz h ALA 199 Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3iqz h ALA 199 Cb 1.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3iqz h ALA 199 CO 0.08 -0.11 -0.10 1.98 0.00 0.00 0.00 179.25 181.09 3iqz h MET 200 N 0.45 -0.09 0.00 0.00 1.85 -1.14 -0.06 114.93 115.94 3iqz h MET 200 Ca 0.12 0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.15 3iqz h MET 200 Cb -0.04 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 3iqz h MET 200 CO -0.03 -0.06 -0.34 -0.39 -0.40 0.00 0.00 176.91 175.69 3iqz h VAL 201 N -0.10 0.82 -0.35 -5.77 -1.51 -1.10 -0.01 116.25 108.24 3iqz h VAL 201 Ca 0.10 -1.43 -0.17 0.00 -1.23 0.00 0.00 66.70 63.97 3iqz h VAL 201 Cb 0.24 1.89 -0.00 0.00 -2.13 0.00 0.00 31.29 31.29 3iqz h VAL 201 CO -0.23 0.34 -0.44 0.11 -1.23 0.00 0.00 177.57 176.11 3iqz h LYS 202 N 0.00 0.92 -0.42 5.19 1.57 -0.76 -1.28 116.57 121.79 3iqz h LYS 202 Ca -0.00 -0.52 -0.05 0.00 -1.87 0.00 0.00 60.65 58.20 3iqz h LYS 202 Cb 0.86 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3iqz h LYS 202 CO 0.04 1.17 0.03 0.00 -0.57 0.00 0.00 179.45 180.12 3iqz h ALA 203 N 0.75 1.27 -0.27 3.86 0.00 -0.39 -0.87 119.26 123.61 3iqz h ALA 203 Ca 0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3iqz h ALA 203 Cb 1.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3iqz h ALA 203 CO 0.11 0.49 -0.05 0.52 0.00 0.00 0.00 179.25 180.32 3iqz h MET 204 N 0.63 0.52 -0.88 0.00 2.86 -0.82 -1.20 114.93 116.04 3iqz h MET 204 Ca 0.13 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3iqz h MET 204 Cb 0.35 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 3iqz h MET 204 CO 0.01 0.72 0.56 0.00 1.06 0.00 0.00 176.91 179.25 3iqz h ALA 205 N 0.79 1.18 -0.24 6.32 0.00 -1.15 0.67 119.26 126.83 3iqz h ALA 205 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iqz h ALA 205 Cb 0.52 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iqz h ALA 205 CO 0.02 0.36 0.13 0.00 0.00 0.00 0.00 179.25 179.76 3iqz h ALA 206 N 1.39 0.30 -0.52 0.00 0.00 -0.81 -1.17 119.26 118.44 3iqz h ALA 206 Ca 0.36 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3iqz h ALA 206 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3iqz h ALA 206 CO -0.14 -0.16 0.17 -0.07 0.00 0.00 0.00 179.25 179.05 3iqz h LEU 207 N 0.27 0.70 -0.28 0.00 3.38 -0.88 -0.95 115.31 117.55 3iqz h LEU 207 Ca 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3iqz h LEU 207 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3iqz h LEU 207 CO -0.01 0.66 0.09 -0.08 0.09 0.00 0.00 178.44 179.18 3iqz h GLU 208 N 0.75 0.44 -0.58 1.13 4.57 -0.67 -0.98 114.58 119.23 3iqz h GLU 208 Ca 0.18 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 3iqz h GLU 208 Cb 0.20 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3iqz h GLU 208 CO -0.01 0.50 0.25 0.82 -1.18 0.00 0.00 179.01 179.39 3iqz h ILE 209 N 0.29 1.22 -0.51 2.32 2.04 -0.93 0.14 117.51 122.08 3iqz h ILE 209 Ca 0.09 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 3iqz h ILE 209 Cb 0.25 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3iqz h ILE 209 CO -0.00 0.26 0.17 0.00 0.00 0.00 0.00 178.15 178.58 3iqz h ALA 210 N 1.09 0.67 -0.70 1.87 0.00 -1.11 -0.12 119.26 120.96 3iqz h ALA 210 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iqz h ALA 210 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3iqz h ALA 210 CO -0.02 0.32 0.39 1.49 0.00 0.00 0.00 179.25 181.43 3iqz h GLU 211 N 0.69 0.98 0.00 0.00 4.81 -0.68 -2.35 114.58 118.03 3iqz h GLU 211 Ca 0.17 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3iqz h GLU 211 Cb 0.26 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3iqz h GLU 211 CO -0.01 0.73 -0.05 -0.91 -0.73 0.00 0.00 179.01 178.04 3iqz h ASN 212 N 0.96 0.00 -0.91 1.04 2.35 -0.20 -2.92 115.58 115.91 3iqz h ASN 212 Ca 0.25 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.13 3iqz h ASN 212 Cb 0.03 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.32 3iqz h ASN 212 CO -0.04 0.05 0.53 0.58 -1.65 0.00 0.00 177.43 176.90 3iqz h VAL 213 N 0.00 0.84 -0.49 2.81 2.07 -0.47 -2.89 116.25 118.11 3iqz h VAL 213 Ca -0.00 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 67.34 3iqz h VAL 213 Cb 0.10 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 29.74 3iqz h VAL 213 CO 0.01 0.15 -0.10 0.00 0.02 0.00 0.00 177.57 177.64 3iqz h ALA 214 N 1.53 0.35 -0.67 1.67 0.00 -1.60 -0.82 119.26 119.71 3iqz h ALA 214 Ca 0.47 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 3iqz h ALA 214 Cb 0.55 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3iqz h ALA 214 CO -0.30 -0.44 0.37 -0.44 0.00 0.00 0.00 179.25 178.45 3iqz h ASP 215 N 0.02 0.84 0.04 0.00 3.45 -1.69 0.11 116.42 119.18 3iqz h ASP 215 Ca 0.24 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.60 3iqz h ASP 215 Cb 0.36 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3iqz h ASP 215 CO -0.49 0.69 -0.02 0.58 -1.57 0.00 0.00 179.24 178.43 3iqz h VAL 216 N 0.92 1.05 -0.48 -1.35 2.07 -1.42 0.85 116.25 117.88 3iqz h VAL 216 Ca 0.24 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3iqz h VAL 216 Cb 0.03 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3iqz h VAL 216 CO -0.04 0.07 0.11 0.28 0.02 0.00 0.00 177.57 178.02 3iqz h SER 217 N -0.18 0.04 -0.64 0.57 0.02 -0.91 -0.11 113.55 112.35 3iqz h SER 217 Ca -0.01 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3iqz h SER 217 Cb 0.16 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 3iqz h SER 217 CO 0.01 0.05 0.34 0.58 -1.14 0.00 0.00 176.83 176.67 3iqz h VAL 218 N 0.26 1.21 -0.34 2.27 2.07 -0.61 0.30 116.25 121.40 3iqz h VAL 218 Ca 0.24 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3iqz h VAL 218 Cb 0.30 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3iqz h VAL 218 CO -0.30 0.23 0.22 -0.08 0.02 0.00 0.00 177.57 177.66 3iqz h GLU 219 N 0.87 0.45 -0.02 1.57 4.81 -0.48 -0.31 114.58 121.46 3iqz h GLU 219 Ca 0.22 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 3iqz h GLU 219 Cb 0.05 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3iqz h GLU 219 CO -0.03 0.30 -0.58 0.78 -0.73 0.00 0.00 179.01 178.75 3iqz h GLY 220 N 0.46 0.08 1.10 1.92 0.00 -0.44 -0.18 103.07 106.00 3iqz h GLY 220 Ca 0.12 -0.09 -0.30 0.00 0.00 0.00 0.00 47.33 47.06 3iqz h GLY 220 CO -0.03 0.08 -1.63 0.00 0.00 0.00 0.00 176.54 174.97 3iqz n PHE 222 N -3.33 0.00 0.04 0.00 3.72 -0.14 -4.88 117.46 112.87 3iqz n PHE 222 Ca -0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.21 3iqz n PHE 222 Cb 1.04 -0.00 -0.00 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 -1.10 1.21 -2.13 -4.37 0.31 -0.90 -5.01 118.33 106.34 3iqz n VAL 223 Ca 0.00 0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 64.28 3iqz n VAL 223 Cb 0.02 -1.64 -0.03 0.00 -0.91 0.00 0.00 33.84 31.27 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 -2.07 4.29 0.00 5.55 2.56 -0.13 -4.91 118.70 123.99 3iqz s GLU 224 Ca -0.02 2.10 0.13 0.00 0.00 0.00 0.00 54.97 57.18 3iqz s GLU 224 Cb 0.00 -3.34 -0.14 0.00 2.00 0.00 0.00 34.13 32.65 3iqz s GLU 224 CO 0.03 -0.51 0.55 1.04 -0.56 0.00 0.00 175.26 175.81 3iqz n GLN 225 N 4.41 2.75 -3.16 4.30 1.13 -1.26 -4.78 117.38 120.77 3iqz n GLN 225 Ca 0.12 -0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.76 3iqz n GLN 225 Cb 0.42 -1.11 -0.07 0.00 0.11 0.00 0.00 30.24 29.59 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 -2.21 6.37 0.54 1.08 3.68 -1.26 -4.96 116.67 119.91 3iqz s ASP 226 Ca 0.05 0.01 0.27 0.00 2.13 0.00 0.00 52.55 55.01 3iqz s ASP 226 Cb 0.10 -2.30 1.52 0.00 -1.45 0.00 0.00 42.92 40.78 3iqz s ASP 226 CO 0.53 -0.57 2.11 0.07 0.13 0.00 0.00 175.17 177.44 3iqz h LYS 227 N 8.51 0.00 0.00 4.34 2.10 -1.97 0.51 116.57 130.06 3iqz h LYS 227 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3iqz h LYS 227 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3iqz h LYS 227 CO 0.82 0.09 0.00 0.93 -2.00 0.00 0.00 179.45 179.29 3iqz h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -1.88 114.58 115.84 3iqz h GLU 228 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 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 0.00 -2.21 0.54 -1.00 0.00 0.00 179.01 176.36 3iqz n ARG 229 N -2.79 0.49 0.18 2.33 1.74 0.14 -4.63 116.66 114.13 3iqz n ARG 229 Ca -0.01 0.17 0.04 0.00 -0.77 0.00 0.00 57.85 57.27 3iqz n ARG 229 Cb 0.14 -1.34 0.35 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.43 0.00 0.19 -1.55 -0.00 -0.50 -2.14 116.97 112.53 3iqz h TYR 230 Ca -0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.21 3iqz h TYR 230 Cb 1.59 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.32 3iqz h TYR 230 CO -0.03 0.40 -0.09 0.28 -0.00 0.00 0.00 178.16 178.72 3iqz h VAL 231 N 0.00 0.90 -0.86 -0.90 2.07 -1.58 -1.39 116.25 114.48 3iqz h VAL 231 Ca -0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3iqz h VAL 231 Cb 0.81 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 3iqz h VAL 231 CO 0.05 0.10 0.54 -0.65 0.02 0.00 0.00 177.57 177.63 3iqz h PRO 232 N -0.47 1.16 0.18 1.57 0.11 -1.79 -1.56 132.00 131.20 3iqz h PRO 232 Ca -0.03 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 66.00 3iqz h PRO 232 Cb 0.36 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 3iqz h PRO 232 CO 0.04 0.79 -0.24 0.82 -0.21 0.00 0.00 178.00 179.20 3iqz h ILE 233 N 1.18 0.47 -0.12 4.15 2.04 -1.13 -0.17 117.51 123.94 3iqz h ILE 233 Ca 0.31 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.09 3iqz h ILE 233 Cb -0.08 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3iqz h ILE 233 CO -0.06 0.00 -0.29 -0.37 0.00 0.00 0.00 178.15 177.43 3iqz h VAL 234 N -0.48 1.25 -0.53 1.67 -1.51 -1.09 -2.42 116.25 113.14 3iqz h VAL 234 Ca 0.01 -1.18 -0.05 0.00 -1.23 0.00 0.00 66.70 64.25 3iqz h VAL 234 Cb 0.48 1.48 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 3iqz h VAL 234 CO -0.10 0.36 0.13 0.00 -1.23 0.00 0.00 177.57 176.73 3iqz h ALA 235 N 1.51 1.24 -0.14 5.19 0.00 -1.01 -2.64 119.26 123.41 3iqz h ALA 235 Ca 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3iqz h ALA 235 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3iqz h ALA 235 CO 0.04 0.53 -0.11 0.66 0.00 0.00 0.00 179.25 180.38 3iqz h SER 236 N 0.77 0.20 -0.54 0.00 4.64 -0.55 -2.07 113.55 116.00 3iqz h SER 236 Ca 0.17 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 3iqz h SER 236 Cb 0.28 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 3iqz h SER 236 CO -0.00 0.33 0.11 0.00 -0.87 0.00 0.00 176.83 176.40 3iqz h ALA 237 N 1.70 1.10 -0.33 5.18 0.00 -1.14 -1.42 119.26 124.35 3iqz h ALA 237 Ca 0.04 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 3iqz h ALA 237 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3iqz h ALA 237 CO 0.02 0.59 -0.43 0.45 0.00 0.00 0.00 179.25 179.88 3iqz h HIS 238 N 0.88 0.99 -0.91 0.00 3.86 -1.36 -2.30 115.15 116.32 3iqz h HIS 238 Ca 0.18 -0.31 0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3iqz h HIS 238 Cb 0.36 -0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.58 3iqz h HIS 238 CO 0.02 1.10 0.60 0.93 0.86 0.00 0.00 177.93 181.44 3iqz h GLU 239 N 0.66 1.15 -0.28 2.45 4.39 -1.13 -1.54 114.58 120.28 3iqz h GLU 239 Ca 0.05 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.70 3iqz h GLU 239 Cb 1.00 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 3iqz h GLU 239 CO 0.10 0.76 0.11 0.52 -1.16 0.00 0.00 179.01 179.34 3iqz h MET 240 N 1.19 0.24 -0.21 2.33 2.86 -1.06 -2.64 114.93 117.65 3iqz h MET 240 Ca 0.34 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.88 3iqz h MET 240 Cb -0.07 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3iqz h MET 240 CO -0.09 0.16 -0.26 1.98 1.06 0.00 0.00 176.91 179.76 3iqz h MET 241 N 0.25 0.40 -0.86 1.72 1.85 -1.10 -0.62 114.93 116.58 3iqz h MET 241 Ca 0.12 -0.14 0.02 0.00 -0.61 0.00 0.00 59.70 59.09 3iqz h MET 241 Cb 0.08 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.03 3iqz h MET 241 CO -0.11 0.63 0.57 -0.09 -0.40 0.00 0.00 176.91 177.50 3iqz h ARG 242 N 0.35 1.10 0.08 0.39 2.43 -1.16 -1.25 114.38 116.33 3iqz h ARG 242 Ca 0.05 -0.07 -0.26 0.00 -0.81 0.00 0.00 59.98 58.90 3iqz h ARG 242 Cb 0.64 -0.25 0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3iqz h ARG 242 CO 0.05 0.73 -1.07 0.87 -1.51 0.00 0.00 179.97 179.03 3iqz h LYS 243 N 1.13 0.58 -0.83 0.20 1.79 -0.99 -2.34 116.57 116.10 3iqz h LYS 243 Ca 0.32 -0.74 0.21 0.00 -2.18 0.00 0.00 60.65 58.27 3iqz h LYS 243 Cb -0.08 0.24 -0.14 0.00 -1.58 0.00 0.00 32.23 30.66 3iqz h LYS 243 CO -0.08 1.32 0.11 0.00 -1.08 0.00 0.00 179.45 179.72 3iqz h ALA 244 N 0.29 1.03 -0.77 3.86 0.00 -1.02 -1.39 119.26 121.26 3iqz h ALA 244 Ca -0.16 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iqz h ALA 244 Cb 1.76 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.91 3iqz h ALA 244 CO 0.21 -0.45 0.45 0.00 0.00 0.00 0.00 179.25 179.45 3iqz h ALA 245 N 1.76 0.98 -0.86 0.00 0.00 -1.07 -0.87 119.26 119.20 3iqz h ALA 245 Ca 0.49 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3iqz h ALA 245 Cb 0.93 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3iqz h ALA 245 CO -0.68 0.47 0.52 0.93 0.00 0.00 0.00 179.25 180.48 3iqz h GLU 246 N 1.06 1.17 -0.55 0.00 5.08 -0.79 -0.21 114.58 120.33 3iqz h GLU 246 Ca 0.27 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3iqz h GLU 246 Cb -0.01 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 3iqz h GLU 246 CO -0.05 0.82 0.26 -0.07 -1.00 0.00 0.00 179.01 178.97 3iqz h LEU 247 N 1.18 0.72 -0.81 1.33 3.38 -1.00 0.46 115.31 120.56 3iqz h LEU 247 Ca 0.31 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3iqz h LEU 247 Cb -0.05 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3iqz h LEU 247 CO -0.06 0.65 0.39 0.00 0.09 0.00 0.00 178.44 179.51 3iqz h ALA 248 N 1.10 1.05 -0.42 1.53 0.00 -0.83 -0.80 119.26 120.89 3iqz h ALA 248 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iqz h ALA 248 Cb 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3iqz h ALA 248 CO -0.02 0.61 0.22 0.22 0.00 0.00 0.00 179.25 180.28 3iqz h ASP 249 N 1.15 0.53 -0.69 0.00 3.58 -0.49 -2.02 116.42 118.47 3iqz h ASP 249 Ca 0.28 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 3iqz h ASP 249 Cb 0.12 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 3iqz h ASP 249 CO -0.04 0.47 0.33 -0.08 -2.88 0.00 0.00 179.24 177.05 3iqz h GLU 250 N 0.54 1.00 -0.62 0.28 4.81 -0.64 -0.48 114.58 119.47 3iqz h GLU 250 Ca 0.15 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3iqz h GLU 250 Cb 0.07 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.20 3iqz h GLU 250 CO -0.02 0.79 0.29 0.00 -0.73 0.00 0.00 179.01 179.33 3iqz h ALA 251 N 1.16 0.83 -0.29 2.92 0.00 -0.84 -1.91 119.26 121.12 3iqz h ALA 251 Ca 0.24 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 3iqz h ALA 251 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iqz h ALA 251 CO -0.03 -0.10 -0.36 -0.09 0.00 0.00 0.00 179.25 178.67 3iqz h ARG 252 N 0.51 0.65 -0.61 0.00 2.43 -0.63 -2.37 114.38 114.35 3iqz h ARG 252 Ca 0.30 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3iqz h ARG 252 Cb 0.30 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3iqz h ARG 252 CO -0.25 0.91 0.15 0.93 -1.51 0.00 0.00 179.97 180.20 3iqz h GLU 253 N 0.54 0.95 -0.18 0.20 4.39 -0.91 -0.62 114.58 118.96 3iqz h GLU 253 Ca 0.05 -0.20 0.05 0.00 0.34 0.00 0.00 59.36 59.60 3iqz h GLU 253 Cb 0.87 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.33 3iqz h GLU 253 CO 0.08 0.84 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.57 3iqz h LEU 254 N 0.91 -0.41 -1.12 1.33 3.38 -1.02 0.70 115.31 119.08 3iqz h LEU 254 Ca 0.20 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.33 3iqz h LEU 254 Cb 0.32 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3iqz h LEU 254 CO -0.00 -0.17 0.60 -0.33 0.09 0.00 0.00 178.44 178.64 3iqz h GLU 255 N -0.13 0.99 -0.80 1.13 4.39 -0.76 -0.50 114.58 118.90 3iqz h GLU 255 Ca 0.11 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3iqz h GLU 255 Cb 0.29 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 3iqz h GLU 255 CO -0.26 0.66 0.47 0.87 -1.16 0.00 0.00 179.01 179.59 3iqz h LYS 256 N 1.02 1.09 0.00 2.33 1.57 -0.28 -1.45 116.57 120.85 3iqz h LYS 256 Ca 0.42 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3iqz h LYS 256 Cb 0.28 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3iqz h LYS 256 CO -0.17 0.78 -0.02 0.66 -0.57 0.00 0.00 179.45 180.13 3iqz h SER 257 N 1.10 0.00 -0.55 0.86 4.64 0.80 0.68 113.55 121.07 3iqz h SER 257 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3iqz h SER 257 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3iqz h SER 257 CO -0.05 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.51 3iqz n ASN 258 N -3.26 3.61 -3.97 4.97 3.02 -0.88 -4.98 115.26 113.77 3iqz n ASN 258 Ca -0.02 -2.08 -0.28 0.00 -0.03 0.00 0.00 54.58 52.17 3iqz n ASN 258 Cb 0.14 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 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 1.07 -0.92 -0.90 6.41 2.03 0.23 -4.89 116.55 119.58 3iqz n ASP 259 Ca 0.19 -1.06 0.03 0.00 0.52 0.00 0.00 54.79 54.48 3iqz n ASP 259 Cb 0.58 -2.83 0.04 0.00 -0.72 0.00 0.00 41.12 38.19 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 -4.43 2.36 -2.21 -1.67 0.00 -0.60 -3.92 120.51 110.03 3iqz n ALA 260 Ca -0.28 -1.98 -0.43 0.00 0.00 0.00 0.00 53.44 50.76 3iqz n ALA 260 Cb 0.67 -0.58 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.61 3.83 0.17 0.00 1.01 -1.20 -4.62 120.40 118.99 3iqz s VAL 261 Ca 0.22 0.94 -0.32 0.00 0.00 0.00 0.00 61.98 62.82 3iqz s VAL 261 Cb 0.23 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 3iqz s VAL 261 CO -0.08 -0.35 1.67 -0.22 0.00 0.00 0.00 175.10 176.12 3iqz s LEU 262 N 4.94 4.37 -0.04 3.92 2.96 -1.26 -4.34 118.68 129.24 3iqz s LEU 262 Ca 0.67 2.72 0.03 0.00 -0.22 0.00 0.00 54.13 57.32 3iqz s LEU 262 Cb -0.22 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.88 3iqz s LEU 262 CO 0.27 -0.91 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.15 3iqz s ARG 263 N 1.53 1.21 -0.55 1.98 0.52 -0.47 -5.01 118.95 118.16 3iqz s ARG 263 Ca 0.74 -0.37 0.05 0.00 -0.52 0.00 0.00 55.73 55.63 3iqz s ARG 263 Cb -0.46 -1.09 0.18 0.00 0.52 0.00 0.00 34.95 34.10 3iqz s ARG 263 CO 0.32 0.11 0.44 0.25 0.02 0.00 0.00 175.30 176.45 3iqz n THR 264 N 3.38 0.23 -1.93 0.02 -2.24 -1.26 -1.50 114.28 110.98 3iqz n THR 264 Ca -0.19 -4.18 -0.31 0.00 -2.27 0.00 0.00 64.05 57.10 3iqz n THR 264 Cb 0.53 -1.92 0.01 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 -0.82 3.50 0.24 -0.78 0.04 -1.23 -4.66 135.00 131.29 3iqz s PRO 265 Ca 0.30 0.66 -0.22 0.00 0.04 0.00 0.00 61.00 61.79 3iqz s PRO 265 Cb 0.02 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3iqz s PRO 265 CO -0.17 -0.60 0.79 -1.01 0.04 0.00 0.00 177.00 176.05 3iqz s HIS 266 N -3.17 3.69 0.62 0.56 3.76 -1.26 -0.29 115.29 119.19 3iqz s HIS 266 Ca 0.55 1.52 -0.08 0.00 -0.15 0.00 0.00 55.06 56.90 3iqz s HIS 266 Cb -0.11 -2.71 0.00 0.00 1.11 0.00 0.00 32.58 30.87 3iqz s HIS 266 CO 0.53 0.32 0.96 0.00 -0.85 0.00 0.00 174.74 175.70 3iqz s ALA 267 N -1.51 3.17 0.55 -1.40 0.00 0.45 -4.92 121.76 118.11 3iqz s ALA 267 Ca 0.44 -0.53 0.25 0.00 0.00 0.00 0.00 51.96 52.12 3iqz s ALA 267 Cb -0.18 -2.76 1.46 0.00 0.00 0.00 0.00 23.12 21.64 3iqz s ALA 267 CO 0.22 -0.85 2.05 -1.35 0.00 0.00 0.00 175.76 175.83 3iqz h PRO 268 N -0.29 0.00 -0.40 0.00 0.11 -1.89 0.21 132.00 129.74 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 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 2.02 0.00 -2.05 5.75 -1.26 -0.20 116.55 116.60 3iqz n ASP 269 Ca 0.05 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 3iqz n ASP 269 Cb 0.42 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 0.97 1.77 3.77 6.12 0.00 0.75 -4.77 105.19 113.80 3iqz n GLY 270 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.52 4.14 -0.26 1.61 2.47 -1.26 -4.65 119.74 121.27 3iqz s LYS 271 Ca 0.00 2.54 -0.18 0.00 -1.56 0.00 0.00 55.97 56.77 3iqz s LYS 271 Cb 0.00 -2.99 -0.03 0.00 -1.46 0.00 0.00 37.83 33.35 3iqz s LYS 271 CO 0.00 -0.52 0.50 0.08 0.16 0.00 0.00 175.35 175.57 3iqz s VAL 272 N -0.84 5.08 0.57 4.02 1.01 -1.26 -0.41 120.40 128.57 3iqz s VAL 272 Ca 0.55 0.85 0.03 0.00 0.00 0.00 0.00 61.98 63.41 3iqz s VAL 272 Cb -0.46 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.16 3iqz s VAL 272 CO 0.58 0.10 0.79 -0.76 0.00 0.00 0.00 175.10 175.82 3iqz s LEU 273 N 2.25 3.25 -0.04 3.92 1.43 0.60 -4.98 118.68 125.10 3iqz s LEU 273 Ca 0.21 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3iqz s LEU 273 Cb -0.16 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.61 3iqz s LEU 273 CO 0.09 -1.27 0.26 -0.55 0.23 0.00 0.00 176.35 175.11 3iqz s SER 274 N -4.52 -0.18 0.11 2.29 0.15 -1.26 -3.54 113.70 106.75 3iqz s SER 274 Ca 0.60 0.20 -0.25 0.00 0.70 0.00 0.00 55.95 57.19 3iqz s SER 274 Cb -0.09 0.39 0.08 0.00 -1.71 0.00 0.00 66.02 64.69 3iqz s SER 274 CO 0.39 -0.31 0.71 -1.59 1.20 0.00 0.00 173.24 173.64 3iqz s LYS 275 N -0.82 1.15 0.01 5.44 -2.85 -0.56 -0.97 119.74 121.15 3iqz s LYS 275 Ca -0.09 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.44 3iqz s LYS 275 Cb -0.05 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 3iqz s LYS 275 CO 0.02 -0.51 0.00 0.54 0.10 0.00 0.00 175.35 175.51 3iqz n ARG 276 N -0.34 0.00 -2.40 1.78 5.12 -1.26 -1.37 116.66 118.18 3iqz n ARG 276 Ca -0.13 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.38 3iqz n ARG 276 Cb 0.64 -0.47 -0.04 0.00 -1.16 0.00 0.00 32.46 31.43 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 -2.00 4.56 0.23 5.56 1.02 -1.25 -3.21 119.74 124.64 3iqz s LYS 277 Ca 0.00 1.87 -0.06 0.00 0.02 0.00 0.00 55.97 57.80 3iqz s LYS 277 Cb 0.00 -3.20 0.36 0.00 -0.52 0.00 0.00 37.83 34.47 3iqz s LYS 277 CO 0.00 0.07 1.77 0.35 -0.92 0.00 0.00 175.35 176.61 3iqz h PHE 278 N 4.26 0.59 -0.02 3.18 3.04 -1.91 -1.65 116.94 124.43 3iqz h PHE 278 Ca -0.46 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.52 3iqz h PHE 278 Cb 1.21 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.57 3iqz h PHE 278 CO 0.60 0.18 0.00 -1.33 -2.02 0.00 0.00 178.31 175.74 3iqz n MET 279 N -4.90 1.50 -3.00 1.11 2.81 -1.26 -4.87 117.12 108.50 3iqz n MET 279 Ca 0.12 -0.72 -0.40 0.00 -1.81 0.00 0.00 57.70 54.88 3iqz n MET 279 Cb 0.31 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.29 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 -1.99 4.34 0.30 0.03 2.12 -0.62 -5.02 118.70 117.86 3iqz s GLU 280 Ca 0.40 0.88 -0.29 0.00 0.36 0.00 0.00 54.97 56.32 3iqz s GLU 280 Cb 0.21 -3.52 -0.13 0.00 0.26 0.00 0.00 34.13 30.95 3iqz s GLU 280 CO 0.34 -0.14 1.25 -0.25 -0.54 0.00 0.00 175.26 175.92 3iqz n ASP 281 N 4.55 2.37 -4.75 -1.70 8.00 -1.26 -4.85 116.55 118.91 3iqz n ASP 281 Ca 0.01 1.18 -0.41 0.00 0.71 0.00 0.00 54.79 56.28 3iqz n ASP 281 Cb 0.50 -1.41 -0.04 0.00 -0.02 0.00 0.00 41.12 40.15 3iqz n ASP 281 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3iqz s PRO 282 N -1.36 4.62 0.00 -0.24 0.04 -1.26 -4.84 135.00 131.95 3iqz s PRO 282 Ca 0.60 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3iqz s PRO 282 Cb -0.63 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 30.68 3iqz s PRO 282 CO 0.58 0.14 0.00 0.39 0.04 0.00 0.00 177.00 178.15