#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 2.58 0.23 12.58 1.01 -1.26 -4.68 120.40 130.86 3iqz s VAL 3 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 60.45 3iqz s VAL 3 Cb 0.00 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.93 3iqz s VAL 3 CO 0.00 0.14 1.15 0.00 0.00 0.00 0.00 175.10 176.39 3iqz s ALA 4 N 1.25 3.42 -0.00 5.51 0.00 0.62 -4.89 121.76 127.66 3iqz s ALA 4 Ca -0.02 0.93 0.07 0.00 0.00 0.00 0.00 51.96 52.93 3iqz s ALA 4 Cb -0.17 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3iqz s ALA 4 CO -0.05 -0.28 -0.21 0.15 0.00 0.00 0.00 175.76 175.37 3iqz s LYS 5 N -0.83 1.61 0.03 0.00 1.02 -1.26 -0.96 119.74 119.36 3iqz s LYS 5 Ca 0.49 -0.79 -0.09 0.00 0.02 0.00 0.00 55.97 55.60 3iqz s LYS 5 Cb -0.32 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 3iqz s LYS 5 CO 0.39 0.43 0.18 0.00 -0.92 0.00 0.00 175.35 175.43 3iqz s ALA 6 N -0.56 -0.32 -0.11 5.17 0.00 -1.04 0.17 121.76 125.06 3iqz s ALA 6 Ca 0.08 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.77 3iqz s ALA 6 Cb -0.08 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 3iqz s ALA 6 CO -0.00 -0.33 -0.19 0.42 0.00 0.00 0.00 175.76 175.65 3iqz s ILE 7 N -2.40 2.52 -0.14 0.00 1.01 -1.07 -1.89 121.20 119.23 3iqz s ILE 7 Ca -0.06 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 3iqz s ILE 7 Cb -0.02 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 3iqz s ILE 7 CO -0.03 0.55 0.19 -0.36 0.00 0.00 0.00 174.94 175.29 3iqz s PHE 8 N 0.28 3.54 -0.16 3.97 0.40 0.29 -0.85 117.98 125.45 3iqz s PHE 8 Ca -0.14 0.54 -0.00 0.00 -0.60 0.00 0.00 56.93 56.73 3iqz s PHE 8 Cb -0.17 -2.11 -0.00 0.00 0.51 0.00 0.00 43.02 41.25 3iqz s PHE 8 CO 0.07 0.52 -0.14 0.42 0.70 0.00 0.00 175.22 176.78 3iqz s ILE 9 N -0.39 2.74 -0.18 0.64 1.01 0.15 -0.67 121.20 124.49 3iqz s ILE 9 Ca 0.14 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 3iqz s ILE 9 Cb -0.12 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.23 3iqz s ILE 9 CO 0.03 0.51 -0.05 -0.54 0.00 0.00 0.00 174.94 174.89 3iqz s LYS 10 N 0.80 1.45 -0.06 2.79 1.02 -0.10 -0.32 119.74 125.33 3iqz s LYS 10 Ca -0.05 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.34 3iqz s LYS 10 Cb -0.15 -2.13 0.02 0.00 -0.52 0.00 0.00 37.83 35.04 3iqz s LYS 10 CO 0.00 -0.47 -0.06 0.00 -0.92 0.00 0.00 175.35 173.90 3iqz n GLY 12 N 4.24 -2.20 2.89 0.00 0.00 0.02 -4.27 105.19 105.87 3iqz n GLY 12 Ca -0.21 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.74 0.23 0.09 1.61 2.47 -1.26 -4.60 114.94 110.73 3iqz s ASN 13 Ca 0.00 -0.03 0.03 0.00 0.42 0.00 0.00 52.86 53.28 3iqz s ASN 13 Cb 0.00 -0.05 -0.03 0.00 -1.45 0.00 0.00 41.25 39.72 3iqz s ASN 13 CO 0.00 0.00 -0.10 -0.76 -3.72 0.00 0.00 177.10 172.53 3iqz s LEU 14 N 0.12 2.40 0.25 3.21 1.02 -1.26 -4.56 118.68 119.86 3iqz s LEU 14 Ca -0.01 -0.80 -0.05 0.00 0.02 0.00 0.00 54.13 53.29 3iqz s LEU 14 Cb -0.03 -0.27 0.32 0.00 0.02 0.00 0.00 46.19 46.23 3iqz s LEU 14 CO -0.00 -0.27 1.88 1.23 0.02 0.00 0.00 176.35 179.21 3iqz h GLY 15 N 3.62 1.36 1.41 -3.19 0.00 -1.94 -0.73 103.07 103.60 3iqz h GLY 15 Ca -0.37 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 46.34 3iqz h GLY 15 CO 0.52 0.36 -0.58 -0.84 0.00 0.00 0.00 176.54 176.00 3iqz h THR 16 N 1.13 1.32 0.00 4.70 2.02 -1.96 -2.96 112.91 117.15 3iqz h THR 16 Ca 0.38 -1.83 -0.03 0.00 0.77 0.00 0.00 66.41 65.70 3iqz h THR 16 Cb 0.06 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3iqz h THR 16 CO -0.14 0.57 -0.14 0.77 0.37 0.00 0.00 175.52 176.96 3iqz h SER 17 N 0.46 0.00 0.60 4.18 4.64 -1.88 -0.32 113.55 121.23 3iqz h SER 17 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 3iqz h SER 17 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 3iqz h SER 17 CO 0.11 0.14 -0.60 -0.03 -0.87 0.00 0.00 176.83 175.58 3iqz h MET 18 N 0.00 0.00 0.00 4.77 -1.53 -0.98 -3.34 114.93 113.86 3iqz h MET 18 Ca -0.00 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3iqz h MET 18 Cb 1.03 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.08 3iqz h MET 18 CO 0.02 0.60 -0.70 -1.33 0.14 0.00 0.00 176.91 175.64 3iqz n MET 19 N -3.83 2.89 -0.15 0.39 2.81 -1.09 -4.77 117.12 113.38 3iqz n MET 19 Ca -0.01 -0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.82 3iqz n MET 19 Cb 0.60 -1.05 0.02 0.00 -0.71 0.00 0.00 33.22 32.08 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 -0.09 -0.67 0.03 -0.00 -1.18 -1.78 114.93 111.24 3iqz h MET 20 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 3iqz h MET 20 Cb 0.30 0.02 -0.03 0.00 -0.00 0.00 0.00 31.60 31.89 3iqz h MET 20 CO 0.00 -0.06 0.22 0.38 -0.00 0.00 0.00 176.91 177.45 3iqz h ASP 21 N -0.09 0.97 0.45 -0.10 2.03 -1.86 -3.17 116.42 114.66 3iqz h ASP 21 Ca 0.22 -0.20 -0.08 0.00 -0.73 0.00 0.00 57.03 56.24 3iqz h ASP 21 Cb 0.43 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.67 3iqz h ASP 21 CO -0.53 0.92 -0.36 0.24 -1.03 0.00 0.00 179.24 178.48 3iqz h MET 22 N 0.98 0.00 0.00 4.15 2.86 -1.68 -2.38 114.93 118.85 3iqz h MET 22 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3iqz h MET 22 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3iqz h MET 22 CO -0.01 0.36 0.00 1.28 1.06 0.00 0.00 176.91 179.60 3iqz n LEU 23 N -3.94 0.10 -0.37 1.22 4.77 -0.77 -2.24 117.00 115.78 3iqz n LEU 23 Ca -0.02 0.54 0.10 0.00 -0.03 0.00 0.00 56.01 56.60 3iqz n LEU 23 Cb 0.41 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 3iqz n LEU 23 CO 0.38 -0.46 0.23 0.18 -1.33 0.00 0.00 177.39 176.38 3iqz n LEU 24 N -1.63 1.71 -2.87 2.23 4.77 -0.90 -4.64 117.00 115.68 3iqz n LEU 24 Ca 0.01 -0.72 -0.12 0.00 -0.03 0.00 0.00 56.01 55.16 3iqz n LEU 24 Cb 0.08 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3iqz n LEU 24 CO 0.07 0.33 0.16 -0.67 -1.33 0.00 0.00 177.39 175.95 3iqz n ASP 25 N -0.30 -1.21 0.33 -1.43 2.03 -0.95 -4.98 116.55 110.04 3iqz n ASP 25 Ca 0.07 -3.38 0.22 0.00 0.52 0.00 0.00 54.79 52.22 3iqz n ASP 25 Cb 0.40 1.01 1.17 0.00 -0.72 0.00 0.00 41.12 42.98 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 2.94 0.00 0.00 -0.67 9.09 -1.81 0.16 114.58 124.29 3iqz h GLU 26 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 3iqz h GLU 26 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 3iqz h GLU 26 CO 0.24 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.84 3iqz n ARG 27 N -3.08 2.33 -1.65 1.06 1.74 -1.26 -4.99 116.66 110.81 3iqz n ARG 27 Ca -0.03 -1.32 -0.21 0.00 -0.77 0.00 0.00 57.85 55.52 3iqz n ARG 27 Cb 0.09 -0.99 -0.08 0.00 -1.02 0.00 0.00 32.46 30.46 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 -0.41 -0.34 1.14 7.54 0.00 0.57 -4.86 120.51 124.15 3iqz n ALA 28 Ca 0.00 0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.89 3iqz n ALA 28 Cb 0.22 -2.05 0.22 0.00 0.00 0.00 0.00 19.45 17.83 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 -1.40 2.58 -4.72 0.00 5.68 -1.26 -4.95 116.55 112.49 3iqz n ASP 29 Ca -0.21 -1.86 -0.42 0.00 -0.50 0.00 0.00 54.79 51.80 3iqz n ASP 29 Cb 0.68 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.63 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 -2.00 4.33 0.00 0.11 0.52 -1.26 -4.49 118.95 116.16 3iqz s ARG 30 Ca 0.31 2.07 0.24 0.00 -0.52 0.00 0.00 55.73 57.83 3iqz s ARG 30 Cb 0.20 -3.24 0.29 0.00 0.52 0.00 0.00 34.95 32.72 3iqz s ARG 30 CO 0.31 -0.41 1.32 0.39 0.02 0.00 0.00 175.30 176.93 3iqz n GLU 31 N 3.77 2.41 -0.08 3.54 1.02 0.58 -4.39 120.64 127.50 3iqz n GLU 31 Ca 0.11 -2.09 0.10 0.00 -0.02 0.00 0.00 57.16 55.26 3iqz n GLU 31 Cb 0.42 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.49 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 1.42 2.93 -4.13 1.62 3.85 -1.26 -4.79 116.55 116.20 3iqz n ASP 32 Ca 0.16 -1.88 -0.09 0.00 -0.71 0.00 0.00 54.79 52.27 3iqz n ASP 32 Cb 0.61 -0.10 -0.10 0.00 -1.35 0.00 0.00 41.12 40.18 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 -1.53 0.46 -0.23 2.12 -7.23 -1.26 -0.27 120.40 112.46 3iqz s VAL 33 Ca 0.28 -1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 3iqz s VAL 33 Cb 0.18 -1.57 0.07 0.00 0.56 0.00 0.00 36.38 35.62 3iqz s VAL 33 CO 0.26 -0.92 0.56 -0.70 -0.31 0.00 0.00 175.10 173.99 3iqz s GLU 34 N -3.81 0.55 0.13 4.82 2.12 -0.13 -4.90 118.70 117.48 3iqz s GLU 34 Ca 0.09 1.05 0.09 0.00 0.36 0.00 0.00 54.97 56.56 3iqz s GLU 34 Cb 0.06 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 3iqz s GLU 34 CO -0.07 -0.16 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.21 3iqz s PHE 35 N 1.65 1.95 -0.00 5.30 2.99 -1.26 -2.50 117.98 126.12 3iqz s PHE 35 Ca -0.09 -0.41 0.08 0.00 0.00 0.00 0.00 56.93 56.50 3iqz s PHE 35 Cb -0.07 -1.04 -0.02 0.00 0.00 0.00 0.00 43.02 41.89 3iqz s PHE 35 CO -0.17 0.29 -0.25 1.03 -0.00 0.00 0.00 175.22 176.12 3iqz s ARG 36 N -2.19 1.94 -0.06 0.44 1.81 -0.79 -4.99 118.95 115.11 3iqz s ARG 36 Ca 0.11 -0.94 0.04 0.00 -1.72 0.00 0.00 55.73 53.22 3iqz s ARG 36 Cb -0.09 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.47 3iqz s ARG 36 CO 0.06 0.52 -0.18 0.08 -0.68 0.00 0.00 175.30 175.10 3iqz s VAL 37 N -0.64 1.53 0.04 3.52 1.01 -1.26 -0.55 120.40 124.05 3iqz s VAL 37 Ca 0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 3iqz s VAL 37 Cb -0.10 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3iqz s VAL 37 CO -0.00 0.44 0.04 0.68 0.00 0.00 0.00 175.10 176.26 3iqz s VAL 38 N 0.30 0.15 -0.03 2.92 -7.23 0.15 -4.98 120.40 111.68 3iqz s VAL 38 Ca -0.11 -1.23 -0.29 0.00 -1.81 0.00 0.00 61.98 58.54 3iqz s VAL 38 Cb -0.15 -0.93 0.10 0.00 0.56 0.00 0.00 36.38 35.97 3iqz s VAL 38 CO 0.04 -0.68 1.31 -0.83 -0.31 0.00 0.00 175.10 174.63 3iqz s GLY 39 N -2.20 -0.20 -0.28 2.32 0.00 -1.26 -0.92 107.32 104.78 3iqz s GLY 39 Ca -0.04 0.19 0.08 0.00 0.00 0.00 0.00 44.72 44.95 3iqz s GLY 39 CO -0.05 4.81 1.27 -1.30 0.00 0.00 0.00 173.10 177.82 3iqz n THR 40 N -0.84 2.48 -4.75 0.90 -2.24 -1.15 -4.94 114.28 103.74 3iqz n THR 40 Ca 0.02 -3.70 0.00 0.00 -2.27 0.00 0.00 64.05 58.10 3iqz n THR 40 Cb 0.59 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.90 0.00 0.14 3.42 2.88 -1.26 -2.76 113.62 115.14 3iqz n SER 41 Ca 0.36 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.02 3iqz n SER 41 Cb 0.87 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.82 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 0.79 -2.85 2.46 0.24 -1.26 -0.80 118.33 116.92 3iqz n VAL 42 Ca 0.00 0.17 -0.41 0.00 -2.04 0.00 0.00 64.34 62.06 3iqz n VAL 42 Cb 0.00 -1.11 -0.04 0.00 -1.47 0.00 0.00 33.84 31.22 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 -3.31 4.54 -0.02 7.34 1.02 -1.11 -3.28 119.74 124.91 3iqz s LYS 43 Ca 0.05 1.22 0.08 0.00 0.02 0.00 0.00 55.97 57.33 3iqz s LYS 43 Cb 0.10 -3.43 0.13 0.00 -0.52 0.00 0.00 37.83 34.11 3iqz s LYS 43 CO 0.42 0.07 1.06 0.00 -0.92 0.00 0.00 175.35 175.98 3iqz n MET 44 N 3.53 0.17 -1.04 1.68 0.00 -1.26 -3.92 117.12 116.27 3iqz n MET 44 Ca 0.02 -1.42 -0.29 0.00 0.00 0.00 0.00 57.70 56.01 3iqz n MET 44 Cb 0.51 -0.52 0.18 0.00 0.00 0.00 0.00 33.22 33.39 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 -1.45 2.44 0.23 3.17 -4.77 -1.26 -3.92 116.67 111.11 3iqz s ASP 45 Ca 0.11 1.33 -0.07 0.00 -3.30 0.00 0.00 52.55 50.62 3iqz s ASP 45 Cb 0.12 -2.02 0.40 0.00 -1.09 0.00 0.00 42.92 40.33 3iqz s ASP 45 CO -0.03 -3.27 1.66 -0.65 0.70 0.00 0.00 175.17 173.58 3iqz h PRO 46 N -1.98 0.15 -0.23 2.11 0.11 -1.88 -1.95 132.00 128.34 3iqz h PRO 46 Ca -0.55 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.40 3iqz h PRO 46 Cb 1.32 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3iqz h PRO 46 CO 0.55 0.10 -0.50 0.93 -0.21 0.00 0.00 178.00 178.88 3iqz h GLU 47 N 0.16 0.63 -0.35 1.05 4.39 -1.97 -1.88 114.58 116.61 3iqz h GLU 47 Ca 0.39 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3iqz h GLU 47 Cb 0.66 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3iqz h GLU 47 CO -0.57 0.98 0.14 0.00 -1.16 0.00 0.00 179.01 178.41 3iqz h VAL 49 N 0.42 1.23 -0.30 0.00 2.07 -1.29 0.12 116.25 118.50 3iqz h VAL 49 Ca 0.12 -0.98 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 3iqz h VAL 49 Cb 0.17 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3iqz h VAL 49 CO -0.01 0.34 -0.32 1.05 0.02 0.00 0.00 177.57 178.65 3iqz h GLU 50 N 0.63 0.64 -0.15 1.57 4.11 -1.25 0.15 114.58 120.27 3iqz h GLU 50 Ca 0.12 -0.29 -0.17 0.00 0.07 0.00 0.00 59.36 59.10 3iqz h GLU 50 Cb 0.45 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3iqz h GLU 50 CO 0.02 0.88 -0.61 0.00 0.07 0.00 0.00 179.01 179.37 3iqz h ALA 51 N 1.11 0.66 -0.17 1.06 0.00 -0.55 -0.46 119.26 120.90 3iqz h ALA 51 Ca 0.06 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3iqz h ALA 51 Cb 0.81 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3iqz h ALA 51 CO 0.07 0.71 0.02 0.00 0.00 0.00 0.00 179.25 180.04 3iqz h ALA 52 N 0.95 0.23 -0.48 0.00 0.00 -0.04 -1.64 119.26 118.28 3iqz h ALA 52 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3iqz h ALA 52 Cb 1.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3iqz h ALA 52 CO 0.11 -0.09 0.14 0.28 0.00 0.00 0.00 179.25 179.69 3iqz h VAL 53 N 0.07 1.20 -0.24 0.00 2.07 -0.50 -2.35 116.25 116.51 3iqz h VAL 53 Ca 0.05 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 3iqz h VAL 53 Cb 0.33 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3iqz h VAL 53 CO 0.00 0.26 -0.38 -0.33 0.02 0.00 0.00 177.57 177.15 3iqz h GLU 54 N 0.70 0.55 -0.21 1.57 5.08 -0.82 0.12 114.58 121.57 3iqz h GLU 54 Ca 0.16 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3iqz h GLU 54 Cb 0.23 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3iqz h GLU 54 CO -0.01 0.84 -0.08 0.52 -1.00 0.00 0.00 179.01 179.28 3iqz h MET 55 N 0.46 -0.05 0.42 2.33 2.86 -0.83 0.25 114.93 120.38 3iqz h MET 55 Ca 0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3iqz h MET 55 Cb 0.86 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.53 3iqz h MET 55 CO 0.07 -0.03 -0.22 0.00 1.06 0.00 0.00 176.91 177.79 3iqz h ALA 56 N 1.15 -0.59 -0.75 6.32 0.00 -0.93 -1.70 119.26 122.76 3iqz h ALA 56 Ca 0.11 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3iqz h ALA 56 Cb 0.21 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 3iqz h ALA 56 CO -0.24 -0.84 0.37 -0.07 0.00 0.00 0.00 179.25 178.47 3iqz h LEU 57 N -0.59 0.46 -0.28 0.00 3.38 -0.63 0.17 115.31 117.81 3iqz h LEU 57 Ca -0.05 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3iqz h LEU 57 Cb 0.47 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3iqz h LEU 57 CO 0.08 0.24 0.14 0.44 0.09 0.00 0.00 178.44 179.43 3iqz h ASP 58 N 0.60 0.21 -0.17 -0.43 3.32 -0.33 -1.84 116.42 117.78 3iqz h ASP 58 Ca 0.38 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.37 3iqz h ASP 58 Cb 0.44 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3iqz h ASP 58 CO -0.30 0.16 -0.10 0.40 -1.72 0.00 0.00 179.24 177.68 3iqz h ILE 59 N 0.30 1.22 0.00 0.35 2.04 -0.91 -3.05 117.51 117.46 3iqz h ILE 59 Ca 0.12 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 3iqz h ILE 59 Cb 0.04 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3iqz h ILE 59 CO -0.08 0.32 -0.19 0.00 0.00 0.00 0.00 178.15 178.20 3iqz h ALA 60 N 1.42 1.43 -0.32 1.87 0.00 0.19 0.63 119.26 124.47 3iqz h ALA 60 Ca 0.09 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3iqz h ALA 60 Cb 0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3iqz h ALA 60 CO 0.03 0.23 -0.02 0.93 0.00 0.00 0.00 179.25 180.42 3iqz h GLU 61 N 0.00 0.07 0.06 0.00 5.08 -1.38 0.25 114.58 118.66 3iqz h GLU 61 Ca -0.00 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 3iqz h GLU 61 Cb 0.40 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3iqz h GLU 61 CO 0.02 0.05 -1.84 -0.25 -1.00 0.00 0.00 179.01 175.99 3iqz n ASP 62 N -5.19 1.43 -0.01 1.42 8.00 -1.01 -4.27 116.55 116.92 3iqz n ASP 62 Ca 0.01 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.72 3iqz n ASP 62 Cb 0.17 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 40.87 3iqz n ASP 62 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3iqz h PHE 63 N 0.03 0.80 -5.65 1.24 3.57 -0.83 -3.48 116.94 112.63 3iqz h PHE 63 Ca -0.35 -0.30 -0.26 0.00 3.53 0.00 0.00 57.97 60.60 3iqz h PHE 63 Cb 2.03 -0.15 0.14 0.00 2.79 0.00 0.00 35.95 40.76 3iqz h PHE 63 CO 0.04 1.06 -0.75 0.39 -2.23 0.00 0.00 178.31 176.82 3iqz n GLU 64 N -3.96 -1.85 -1.90 1.11 1.02 0.88 -4.96 120.64 110.99 3iqz n GLU 64 Ca -0.04 0.88 -0.33 0.00 -0.02 0.00 0.00 57.16 57.65 3iqz n GLU 64 Cb 0.63 -5.35 0.03 0.00 -0.02 0.00 0.00 31.44 26.74 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 -4.54 3.01 0.13 3.49 0.04 -1.26 -4.84 135.00 131.04 3iqz s PRO 65 Ca 0.38 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.82 3iqz s PRO 65 Cb -0.07 -1.98 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 3iqz s PRO 65 CO 0.77 -1.08 1.31 -0.44 0.04 0.00 0.00 177.00 177.60 3iqz h ASP 66 N 0.27 0.10 -5.10 6.66 5.19 -0.65 -3.48 116.42 119.42 3iqz h ASP 66 Ca -0.47 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 55.77 3iqz h ASP 66 Cb 1.24 -0.03 -0.14 0.00 0.18 0.00 0.00 39.33 40.58 3iqz h ASP 66 CO 0.55 1.02 -0.18 0.72 -3.12 0.00 0.00 179.24 178.23 3iqz s PHE 67 N -2.87 -0.09 -0.05 4.55 -0.12 -1.20 -4.25 117.98 113.96 3iqz s PHE 67 Ca -0.01 -0.24 0.04 0.00 -0.05 0.00 0.00 56.93 56.68 3iqz s PHE 67 Cb 0.10 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 3iqz s PHE 67 CO 0.83 -0.63 -0.18 0.42 -0.05 0.00 0.00 175.22 175.61 3iqz s ILE 68 N -3.64 2.70 -0.16 -4.49 1.01 0.11 -2.61 121.20 114.11 3iqz s ILE 68 Ca 0.02 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 3iqz s ILE 68 Cb 0.02 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 3iqz s ILE 68 CO -0.10 0.58 -0.07 -0.69 0.00 0.00 0.00 174.94 174.65 3iqz s VAL 69 N -0.50 3.48 -0.22 2.92 1.01 -0.03 -0.42 120.40 126.64 3iqz s VAL 69 Ca 0.06 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3iqz s VAL 69 Cb -0.12 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3iqz s VAL 69 CO 0.01 0.48 0.06 -0.47 0.00 0.00 0.00 175.10 175.19 3iqz s TYR 70 N 0.66 3.14 -0.06 5.22 6.14 0.18 0.31 117.35 132.94 3iqz s TYR 70 Ca -0.04 -0.21 0.04 0.00 0.64 0.00 0.00 57.07 57.50 3iqz s TYR 70 Cb -0.15 -2.16 -0.00 0.00 0.42 0.00 0.00 41.96 40.07 3iqz s TYR 70 CO 0.02 -0.14 -0.19 0.20 0.64 0.00 0.00 175.55 176.09 3iqz s GLY 71 N 1.04 1.03 0.00 8.97 0.00 0.56 0.88 107.32 119.80 3iqz s GLY 71 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.01 3iqz s GLY 71 CO 0.03 -0.32 0.00 0.61 0.00 0.00 0.00 173.10 173.42 3iqz n GLY 72 N 3.28 -0.64 3.74 0.20 0.00 -0.92 -2.64 105.19 108.22 3iqz n GLY 72 Ca -0.19 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 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 2.64 -0.68 1.61 0.02 -1.26 -4.33 135.00 130.99 3iqz s PRO 73 Ca 0.00 1.77 -0.11 0.00 0.02 0.00 0.00 61.00 62.68 3iqz s PRO 73 Cb 0.00 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.64 3iqz s PRO 73 CO 0.00 -1.45 0.64 -1.71 -0.33 0.00 0.00 177.00 174.14 3iqz n ASN 74 N -2.09 -5.83 0.03 2.53 2.85 -1.26 -4.85 115.26 106.64 3iqz n ASN 74 Ca 0.13 -0.47 0.20 0.00 -0.11 0.00 0.00 54.58 54.33 3iqz n ASN 74 Cb 0.50 -2.67 0.53 0.00 1.24 0.00 0.00 39.78 39.38 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 0.63 0.00 0.00 1.20 0.11 -1.87 0.24 132.00 132.32 3iqz h PRO 75 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iqz h PRO 75 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3iqz h PRO 75 CO 0.31 0.00 -0.26 0.00 -0.21 0.00 0.00 178.00 177.84 3iqz n ALA 76 N -2.13 2.82 -0.97 -0.75 0.00 -1.26 -3.70 120.51 114.52 3iqz n ALA 76 Ca 0.12 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 3iqz n ALA 76 Cb 1.03 -1.31 0.13 0.00 0.00 0.00 0.00 19.45 19.30 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 1.85 0.31 0.00 0.00 0.85 -4.77 121.76 116.96 3iqz s ALA 77 Ca 0.11 0.47 -0.00 0.00 0.00 0.00 0.00 51.96 52.54 3iqz s ALA 77 Cb 0.17 -3.38 0.49 0.00 0.00 0.00 0.00 23.12 20.40 3iqz s ALA 77 CO 0.62 -2.28 1.92 -1.35 0.00 0.00 0.00 175.76 174.67 3iqz h PRO 78 N -1.46 0.88 0.13 0.00 0.11 -1.90 -0.10 132.00 129.66 3iqz h PRO 78 Ca -0.43 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3iqz h PRO 78 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3iqz h PRO 78 CO 0.46 0.67 -0.06 0.78 -0.21 0.00 0.00 178.00 179.64 3iqz h GLY 79 N 0.96 -0.19 0.01 -0.55 0.00 -1.84 -1.79 103.07 99.68 3iqz h GLY 79 Ca 0.22 0.07 0.28 0.00 0.00 0.00 0.00 47.33 47.89 3iqz h GLY 79 CO -0.03 -0.07 0.70 -2.55 0.00 0.00 0.00 176.54 174.59 3iqz h PRO 80 N -0.90 0.12 -0.01 4.80 0.11 -1.73 -0.82 132.00 133.57 3iqz h PRO 80 Ca -0.02 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.93 3iqz h PRO 80 Cb 0.52 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3iqz h PRO 80 CO 0.03 0.08 -0.71 0.77 -0.21 0.00 0.00 178.00 177.96 3iqz h SER 81 N 0.12 0.07 -0.32 -2.05 0.02 -0.75 -1.57 113.55 109.07 3iqz h SER 81 Ca 0.50 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.32 3iqz h SER 81 Cb 1.75 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.26 3iqz h SER 81 CO -0.08 0.76 -0.10 0.50 -1.14 0.00 0.00 176.83 176.77 3iqz h LYS 82 N 0.04 0.64 -0.50 3.45 1.63 -0.29 -2.19 116.57 119.35 3iqz h LYS 82 Ca -0.01 -0.25 0.10 0.00 -0.85 0.00 0.00 60.65 59.63 3iqz h LYS 82 Cb 1.26 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.77 3iqz h LYS 82 CO 0.10 0.82 -0.02 0.00 -3.45 0.00 0.00 179.45 176.90 3iqz h ALA 83 N 0.79 0.45 -0.78 5.00 0.00 -0.98 -0.41 119.26 123.33 3iqz h ALA 83 Ca 0.08 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3iqz h ALA 83 Cb 0.60 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3iqz h ALA 83 CO 0.04 -0.40 0.45 0.00 0.00 0.00 0.00 179.25 179.33 3iqz h ARG 84 N 0.10 1.07 -0.12 0.00 3.08 -1.19 0.72 114.38 118.05 3iqz h ARG 84 Ca 0.25 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3iqz h ARG 84 Cb 0.38 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3iqz h ARG 84 CO -0.43 0.77 -0.01 1.49 -1.07 0.00 0.00 179.97 180.72 3iqz h GLU 85 N 1.08 0.21 -0.56 0.04 4.81 -0.67 0.24 114.58 119.73 3iqz h GLU 85 Ca 0.28 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 3iqz h GLU 85 Cb -0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3iqz h GLU 85 CO -0.05 0.47 -0.02 0.52 -0.73 0.00 0.00 179.01 179.20 3iqz h MET 86 N -0.07 0.99 -0.15 1.92 2.86 -0.93 -1.73 114.93 117.83 3iqz h MET 86 Ca 0.03 -0.31 -0.21 0.00 -2.06 0.00 0.00 59.70 57.14 3iqz h MET 86 Cb 0.38 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.95 3iqz h MET 86 CO 0.01 0.99 -0.75 -0.07 1.06 0.00 0.00 176.91 178.14 3iqz h LEU 87 N 0.91 0.86 -1.11 1.22 3.38 -0.75 -1.36 115.31 118.46 3iqz h LEU 87 Ca 0.16 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 3iqz h LEU 87 Cb 0.56 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3iqz h LEU 87 CO 0.03 1.34 0.33 0.00 0.09 0.00 0.00 178.44 180.24 3iqz h ALA 88 N 0.64 1.31 0.00 1.53 0.00 -0.46 -2.72 119.26 119.56 3iqz h ALA 88 Ca -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3iqz h ALA 88 Cb 1.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3iqz h ALA 88 CO 0.15 0.54 -0.21 -0.44 0.00 0.00 0.00 179.25 179.29 3iqz h ASP 89 N 0.96 0.00 -3.61 0.00 3.32 -1.17 -3.47 116.42 112.45 3iqz h ASP 89 Ca 0.24 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.86 3iqz h ASP 89 Cb 0.09 0.00 0.18 0.00 0.22 0.00 0.00 39.33 39.82 3iqz h ASP 89 CO -0.03 0.19 0.14 -0.94 -1.72 0.00 0.00 179.24 176.89 3iqz s SER 90 N -6.29 1.43 0.03 6.45 1.04 -0.52 -4.95 113.70 110.89 3iqz s SER 90 Ca 0.06 0.83 0.29 0.00 0.48 0.00 0.00 55.95 57.61 3iqz s SER 90 Cb 0.06 -1.24 1.17 0.00 0.10 0.00 0.00 66.02 66.11 3iqz s SER 90 CO 0.70 -3.83 1.90 -1.84 0.98 0.00 0.00 173.24 171.15 3iqz n GLU 91 N -4.59 0.04 -3.51 4.02 0.28 -1.26 -4.92 120.64 110.69 3iqz n GLU 91 Ca 0.10 0.03 -0.38 0.00 -0.16 0.00 0.00 57.16 56.76 3iqz n GLU 91 Cb 0.59 -1.54 -0.06 0.00 1.43 0.00 0.00 31.44 31.85 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 -3.01 3.62 0.45 -1.84 2.02 -1.26 -5.03 117.35 112.30 3iqz s TYR 92 Ca 0.13 0.84 -0.25 0.00 -0.37 0.00 0.00 57.07 57.43 3iqz s TYR 92 Cb 0.18 -2.31 -0.08 0.00 -0.40 0.00 0.00 41.96 39.34 3iqz s TYR 92 CO 0.54 0.48 1.43 -2.30 -1.57 0.00 0.00 175.55 174.13 3iqz n PRO 93 N 2.56 2.22 -4.07 -1.71 -0.02 -1.26 -4.80 135.00 127.91 3iqz n PRO 93 Ca -0.13 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 3iqz n PRO 93 Cb 0.52 -2.62 -0.12 0.00 -0.02 0.00 0.00 33.50 31.26 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 -1.20 0.49 -0.02 3.55 0.00 -1.26 -0.71 121.76 122.62 3iqz s ALA 94 Ca 0.62 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 52.03 3iqz s ALA 94 Cb -0.45 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3iqz s ALA 94 CO 0.57 -0.01 -0.26 0.08 0.00 0.00 0.00 175.76 176.15 3iqz s VAL 95 N -1.10 2.01 -0.21 0.00 1.01 0.43 -1.74 120.40 120.82 3iqz s VAL 95 Ca -0.08 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.74 3iqz s VAL 95 Cb -0.08 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3iqz s VAL 95 CO 0.00 0.56 0.03 -0.63 0.00 0.00 0.00 175.10 175.06 3iqz s ILE 96 N -0.61 4.16 -0.23 2.22 -1.09 -0.46 -0.64 121.20 124.55 3iqz s ILE 96 Ca 0.10 -0.24 -0.09 0.00 -2.23 0.00 0.00 60.65 58.20 3iqz s ILE 96 Cb -0.10 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3iqz s ILE 96 CO -0.01 0.41 0.11 -0.63 -1.23 0.00 0.00 174.94 173.59 3iqz s ILE 97 N 1.06 4.82 0.18 2.92 -1.09 0.25 -0.77 121.20 128.58 3iqz s ILE 97 Ca 0.03 -0.01 -0.01 0.00 -2.23 0.00 0.00 60.65 58.43 3iqz s ILE 97 Cb -0.14 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.50 3iqz s ILE 97 CO 0.02 0.36 0.26 0.61 -1.23 0.00 0.00 174.94 174.96 3iqz n GLY 98 N 4.44 2.56 0.00 6.18 0.00 -0.42 -2.16 105.19 115.78 3iqz n GLY 98 Ca -0.16 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.84 1.64 0.07 1.61 3.85 -1.26 -0.42 116.55 120.19 3iqz n ASP 99 Ca 0.00 -0.87 -0.01 0.00 -0.71 0.00 0.00 54.79 53.20 3iqz n ASP 99 Cb 0.30 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.36 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 0.87 1.29 0.00 2.12 0.00 -1.81 -0.53 119.26 121.21 3iqz h ALA 100 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3iqz h ALA 100 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3iqz h ALA 100 CO 0.00 0.47 -0.01 -1.35 0.00 0.00 0.00 179.25 178.37 3iqz h PRO 101 N 0.32 0.00 0.00 0.00 0.11 -1.96 -0.46 132.00 130.01 3iqz h PRO 101 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3iqz h PRO 101 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3iqz h PRO 101 CO 0.04 0.01 0.00 0.78 -0.21 0.00 0.00 178.00 178.61 3iqz h GLY 102 N 0.48 0.00 1.72 -0.55 0.00 -1.44 -2.78 103.07 100.50 3iqz h GLY 102 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3iqz h GLY 102 CO 0.00 0.00 0.11 1.41 0.00 0.00 0.00 176.54 178.06 3iqz h LEU 103 N 0.00 0.00 -1.34 3.11 3.38 -1.24 -2.06 115.31 117.17 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 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3iqz h LEU 103 CO 0.00 0.00 -0.13 0.11 0.09 0.00 0.00 178.44 178.51 3iqz h LYS 104 N 0.00 0.00 -0.06 1.13 1.57 -1.72 -2.94 116.57 114.56 3iqz h LYS 104 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3iqz h LYS 104 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3iqz h LYS 104 CO -0.00 0.13 -0.05 1.33 -0.57 0.00 0.00 179.45 180.29 3iqz n VAL 105 N -3.30 2.02 0.23 0.50 0.24 -0.79 -4.76 118.33 112.46 3iqz n VAL 105 Ca 0.00 -2.31 -0.16 0.00 -2.04 0.00 0.00 64.34 59.83 3iqz n VAL 105 Cb 0.36 -0.25 -0.08 0.00 -1.47 0.00 0.00 33.84 32.41 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 0.46 -0.73 -1.00 7.34 3.64 -1.34 0.10 116.57 125.05 3iqz h LYS 106 Ca 0.01 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3iqz h LYS 106 Cb 1.10 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 3iqz h LYS 106 CO 0.05 -0.49 0.65 -0.44 -2.27 0.00 0.00 179.45 176.96 3iqz h ASP 107 N -0.76 1.06 0.00 4.20 3.32 -1.86 -1.76 116.42 120.63 3iqz h ASP 107 Ca -0.03 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3iqz h ASP 107 Cb 0.68 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3iqz h ASP 107 CO -0.06 0.70 -0.00 -0.08 -1.72 0.00 0.00 179.24 178.08 3iqz h GLU 108 N 1.21 -0.00 -0.48 3.56 4.81 -1.81 -1.10 114.58 120.77 3iqz h GLU 108 Ca 0.41 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.74 3iqz h GLU 108 Cb 0.09 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.37 3iqz h GLU 108 CO -0.15 0.05 -0.12 0.52 -0.73 0.00 0.00 179.01 178.58 3iqz h MET 109 N -0.06 -0.00 -0.80 1.92 2.86 0.05 0.25 114.93 119.15 3iqz h MET 109 Ca -0.00 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3iqz h MET 109 Cb 0.06 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 3iqz h MET 109 CO 0.00 -0.00 0.49 0.93 1.06 0.00 0.00 176.91 179.39 3iqz h GLU 110 N -0.00 0.87 -0.76 1.72 5.08 -1.19 -1.63 114.58 118.67 3iqz h GLU 110 Ca 0.23 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3iqz h GLU 110 Cb 0.35 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3iqz h GLU 110 CO -0.50 0.57 0.32 1.49 -1.00 0.00 0.00 179.01 179.90 3iqz h GLU 111 N 0.89 1.12 0.00 2.33 4.81 0.15 -1.63 114.58 122.25 3iqz h GLU 111 Ca 0.35 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3iqz h GLU 111 Cb 0.16 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3iqz h GLU 111 CO -0.17 0.89 0.00 1.04 -0.73 0.00 0.00 179.01 180.05 3iqz n GLN 112 N -4.29 0.06 -0.87 1.92 6.02 0.74 -4.89 117.38 116.07 3iqz n GLN 112 Ca 0.07 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 3iqz n GLN 112 Cb 0.17 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.81 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 -0.18 0.46 3.89 1.08 0.00 -0.61 -4.74 105.19 105.10 3iqz n GLY 113 Ca 0.03 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 4.22 0.68 0.99 1.43 -0.74 -4.75 118.68 120.51 3iqz s LEU 114 Ca 0.00 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3iqz s LEU 114 Cb 0.00 -2.83 0.08 0.00 0.03 0.00 0.00 46.19 43.48 3iqz s LEU 114 CO 0.00 0.13 0.96 -0.83 0.23 0.00 0.00 176.35 176.83 3iqz s GLY 115 N -2.75 1.76 0.03 -3.19 0.00 -0.71 -4.22 107.32 98.24 3iqz s GLY 115 Ca 0.34 -1.34 -0.28 0.00 0.00 0.00 0.00 44.72 43.44 3iqz s GLY 115 CO 0.27 -0.89 0.66 -2.52 0.00 0.00 0.00 173.10 170.62 3iqz s TYR 116 N -3.11 -0.60 -0.23 1.90 1.13 0.76 -1.36 117.35 115.85 3iqz s TYR 116 Ca 0.62 0.80 -0.02 0.00 -1.41 0.00 0.00 57.07 57.07 3iqz s TYR 116 Cb -0.08 0.47 0.07 0.00 -1.10 0.00 0.00 41.96 41.32 3iqz s TYR 116 CO 0.43 -0.70 0.03 0.42 -2.51 0.00 0.00 175.55 173.23 3iqz s ILE 117 N -2.20 0.77 -0.26 -3.49 1.01 0.05 -1.72 121.20 115.35 3iqz s ILE 117 Ca -0.06 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 3iqz s ILE 117 Cb -0.00 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3iqz s ILE 117 CO 0.01 -0.30 0.14 -0.76 0.00 0.00 0.00 174.94 174.03 3iqz s LEU 118 N 1.73 3.84 -0.50 2.97 1.43 0.02 -1.30 118.68 126.87 3iqz s LEU 118 Ca 0.01 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3iqz s LEU 118 Cb -0.17 -2.05 0.13 0.00 0.03 0.00 0.00 46.19 44.13 3iqz s LEU 118 CO -0.12 -0.02 0.35 -0.69 0.23 0.00 0.00 176.35 176.11 3iqz s VAL 119 N 1.54 3.98 0.23 -1.59 1.01 0.44 -0.69 120.40 125.33 3iqz s VAL 119 Ca 0.07 -2.08 -0.07 0.00 0.00 0.00 0.00 61.98 59.90 3iqz s VAL 119 Cb -0.15 -3.63 0.20 0.00 0.00 0.00 0.00 36.38 32.80 3iqz s VAL 119 CO 0.07 -0.79 1.87 0.11 0.00 0.00 0.00 175.10 176.36 3iqz h LYS 120 N 8.09 0.99 0.00 2.72 1.57 -1.53 -0.87 116.57 127.54 3iqz h LYS 120 Ca -0.14 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3iqz h LYS 120 Cb 1.05 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3iqz h LYS 120 CO 0.79 0.65 0.00 -2.30 -0.57 0.00 0.00 179.45 178.02 3iqz n PRO 121 N -4.58 0.11 -2.35 3.15 -0.02 -1.26 -4.31 135.00 125.74 3iqz n PRO 121 Ca 0.11 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 3iqz n PRO 121 Cb 0.12 -1.82 -0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 -2.05 4.62 -4.82 2.55 -0.08 -0.33 -4.41 116.55 112.02 3iqz n ASP 122 Ca -0.00 -2.89 -0.36 0.00 -1.51 0.00 0.00 54.79 50.02 3iqz n ASP 122 Cb 0.07 -1.72 -0.06 0.00 2.34 0.00 0.00 41.12 41.75 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 4.15 3.52 0.31 -1.67 0.00 -1.26 -4.74 121.76 122.07 3iqz s ALA 123 Ca 0.53 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 3iqz s ALA 123 Cb 0.06 -2.67 -0.10 0.00 0.00 0.00 0.00 23.12 20.41 3iqz s ALA 123 CO 0.04 0.39 1.42 1.41 0.00 0.00 0.00 175.76 179.03 3iqz s MET 124 N -1.74 4.24 0.49 0.00 1.75 -1.26 -4.92 119.30 117.86 3iqz s MET 124 Ca 0.38 2.37 -0.04 0.00 -1.25 0.00 0.00 55.69 57.14 3iqz s MET 124 Cb -0.17 -3.05 0.11 0.00 2.84 0.00 0.00 34.83 34.55 3iqz s MET 124 CO 0.20 -0.39 0.67 1.47 -0.65 0.00 0.00 175.02 176.32 3iqz n LEU 125 N 1.38 0.00 -3.68 4.11 -0.00 -1.26 -4.57 117.00 112.98 3iqz n LEU 125 Ca 0.03 -1.06 -0.41 0.00 -0.00 0.00 0.00 56.01 54.57 3iqz n LEU 125 Cb 0.40 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 3iqz n LEU 125 CO 0.61 -0.91 2.12 0.61 -0.00 0.00 0.00 177.39 179.83 3iqz n GLY 126 N 0.26 5.05 2.93 1.47 0.00 -1.26 -4.88 105.19 108.75 3iqz n GLY 126 Ca 0.10 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 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 2.59 3.44 -2.61 4.61 0.00 -1.26 -4.28 120.51 123.00 3iqz n ALA 127 Ca 0.50 -2.42 -0.33 0.00 0.00 0.00 0.00 53.44 51.19 3iqz n ALA 127 Cb 0.30 -3.28 -0.13 0.00 0.00 0.00 0.00 19.45 16.33 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 4.53 2.70 0.45 0.00 1.81 -1.26 -4.97 118.95 122.21 3iqz s ARG 128 Ca 0.46 -0.69 0.16 0.00 -1.72 0.00 0.00 55.73 53.94 3iqz s ARG 128 Cb 0.11 -2.43 1.11 0.00 -0.45 0.00 0.00 34.95 33.29 3iqz s ARG 128 CO 0.06 0.53 1.98 -0.09 -0.68 0.00 0.00 175.30 177.11 3iqz h ARG 129 N 5.64 0.31 0.00 3.54 2.43 -1.89 0.27 114.38 124.69 3iqz h ARG 129 Ca -0.42 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3iqz h ARG 129 Cb 1.17 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3iqz h ARG 129 CO 0.51 0.21 0.00 0.93 -1.51 0.00 0.00 179.97 180.11 3iqz h GLU 130 N 0.32 0.00 0.00 0.20 3.07 -1.96 -3.35 114.58 112.86 3iqz h GLU 130 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3iqz h GLU 130 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3iqz h GLU 130 CO -0.07 0.00 -0.92 0.34 -1.40 0.00 0.00 179.01 176.96 3iqz n PHE 131 N -2.67 0.00 -3.04 4.33 7.35 -0.18 -4.97 117.46 118.28 3iqz n PHE 131 Ca 0.00 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.25 3iqz n PHE 131 Cb 0.19 0.02 -0.03 0.00 0.35 0.00 0.00 39.48 40.01 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 -5.43 5.28 0.00 -2.13 2.96 0.78 -4.88 118.68 115.26 3iqz s LEU 132 Ca 0.00 -1.69 0.03 0.00 -0.22 0.00 0.00 54.13 52.25 3iqz s LEU 132 Cb 0.00 -2.34 0.10 0.00 0.50 0.00 0.00 46.19 44.44 3iqz s LEU 132 CO 0.00 -1.09 0.70 -0.90 -1.32 0.00 0.00 176.35 173.74 3iqz n ASP 133 N 6.36 1.30 -0.12 3.68 5.75 -1.26 -4.69 116.55 127.56 3iqz n ASP 133 Ca 0.04 -2.01 -0.08 0.00 -0.01 0.00 0.00 54.79 52.74 3iqz n ASP 133 Cb 0.45 -0.42 0.01 0.00 -1.03 0.00 0.00 41.12 40.13 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 0.44 -0.52 0.11 0.11 -1.99 -1.47 132.00 128.68 3iqz h PRO 134 Ca -0.23 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.93 3iqz h PRO 134 Cb 0.95 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.89 3iqz h PRO 134 CO 0.28 0.29 0.13 0.28 -0.21 0.00 0.00 178.00 178.78 3iqz h VAL 135 N 0.46 0.74 -0.21 3.15 2.07 -1.99 -0.10 116.25 120.37 3iqz h VAL 135 Ca 0.15 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 3iqz h VAL 135 Cb 0.00 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3iqz h VAL 135 CO -0.07 0.05 -0.27 -0.08 0.02 0.00 0.00 177.57 177.23 3iqz h GLU 136 N 0.28 0.41 -0.46 1.57 4.57 -1.81 0.80 114.58 119.93 3iqz h GLU 136 Ca 0.26 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3iqz h GLU 136 Cb 0.34 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3iqz h GLU 136 CO -0.31 0.65 0.08 1.98 -1.18 0.00 0.00 179.01 180.22 3iqz h MET 137 N 0.36 0.77 -0.71 1.92 4.05 -0.72 -0.89 114.93 119.70 3iqz h MET 137 Ca 0.05 -0.20 -0.07 0.00 -0.28 0.00 0.00 59.70 59.20 3iqz h MET 137 Cb 0.66 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.34 3iqz h MET 137 CO 0.05 0.78 0.17 0.00 0.23 0.00 0.00 176.91 178.14 3iqz h ALA 138 N 0.96 0.94 -0.54 0.39 0.00 -0.57 -1.64 119.26 118.79 3iqz h ALA 138 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3iqz h ALA 138 Cb 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3iqz h ALA 138 CO 0.01 0.67 0.26 0.82 0.00 0.00 0.00 179.25 181.01 3iqz h ILE 139 N 1.08 1.20 -0.21 0.00 2.04 -0.62 0.89 117.51 121.90 3iqz h ILE 139 Ca 0.22 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3iqz h ILE 139 Cb 0.37 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3iqz h ILE 139 CO 0.00 0.23 0.10 0.22 0.00 0.00 0.00 178.15 178.70 3iqz h TYR 140 N 0.73 0.31 -0.69 1.37 3.20 -1.08 -1.72 116.97 119.08 3iqz h TYR 140 Ca 0.19 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.11 3iqz h TYR 140 Cb 0.12 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3iqz h TYR 140 CO -0.00 0.32 0.46 -0.91 -1.64 0.00 0.00 178.16 176.38 3iqz h ASN 141 N 0.20 0.61 -0.58 -2.11 2.35 -0.98 0.48 115.58 115.56 3iqz h ASN 141 Ca 0.07 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3iqz h ASN 141 Cb 0.13 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3iqz h ASN 141 CO -0.01 0.39 0.24 0.00 -1.65 0.00 0.00 177.43 176.40 3iqz h ALA 142 N 1.63 0.75 -0.17 -0.83 0.00 0.03 -0.41 119.26 120.25 3iqz h ALA 142 Ca 0.30 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3iqz h ALA 142 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iqz h ALA 142 CO -0.10 0.36 -0.31 -0.44 0.00 0.00 0.00 179.25 178.76 3iqz h ASP 143 N 0.80 0.57 -0.60 0.00 3.32 -0.86 -2.65 116.42 116.99 3iqz h ASP 143 Ca 0.19 -0.54 0.05 0.00 0.02 0.00 0.00 57.03 56.75 3iqz h ASP 143 Cb 0.19 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 3iqz h ASP 143 CO -0.02 1.01 0.32 0.25 -1.72 0.00 0.00 179.24 179.08 3iqz h LEU 144 N 0.15 0.46 -0.64 1.55 5.85 -0.85 -1.26 115.31 120.58 3iqz h LEU 144 Ca 0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3iqz h LEU 144 Cb 0.90 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3iqz h LEU 144 CO 0.07 0.31 0.30 -0.03 -0.34 0.00 0.00 178.44 178.74 3iqz h MET 145 N 0.60 0.93 -0.60 1.25 4.05 -1.04 0.90 114.93 121.03 3iqz h MET 145 Ca 0.27 -0.14 0.05 0.00 -0.28 0.00 0.00 59.70 59.59 3iqz h MET 145 Cb 0.17 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 30.76 3iqz h MET 145 CO -0.18 0.76 0.33 -0.22 0.23 0.00 0.00 176.91 177.83 3iqz h LYS 146 N 0.89 0.60 0.49 0.39 1.63 -1.18 0.30 116.57 119.70 3iqz h LYS 146 Ca 0.22 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 3iqz h LYS 146 Cb 0.14 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 3iqz h LYS 146 CO -0.03 0.40 -0.24 0.28 -3.45 0.00 0.00 179.45 176.42 3iqz h VAL 147 N 0.62 0.51 -0.34 2.00 2.07 -0.57 0.37 116.25 120.90 3iqz h VAL 147 Ca 0.27 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 3iqz h VAL 147 Cb 0.15 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3iqz h VAL 147 CO -0.17 0.02 0.07 -0.07 0.02 0.00 0.00 177.57 177.44 3iqz h LEU 148 N -0.73 0.46 0.38 2.57 3.38 -0.61 -2.11 115.31 118.66 3iqz h LEU 148 Ca -0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3iqz h LEU 148 Cb 0.54 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3iqz h LEU 148 CO 0.11 0.48 -0.18 0.00 0.09 0.00 0.00 178.44 178.94 3iqz h ALA 149 N 1.58 -0.52 0.00 1.53 0.00 -0.88 -0.89 119.26 120.09 3iqz h ALA 149 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iqz h ALA 149 Cb 0.22 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iqz h ALA 149 CO -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.77 3iqz h ALA 150 N -1.16 1.00 0.00 0.00 0.00 -0.91 -2.18 119.26 116.02 3iqz h ALA 150 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iqz h ALA 150 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iqz h ALA 150 CO 0.09 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.59 3iqz n THR 151 N -3.07 0.56 0.00 0.00 -2.24 -0.80 -4.74 114.28 103.99 3iqz n THR 151 Ca 0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3iqz n THR 151 Cb 0.41 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 1.12 1.56 0.33 3.38 0.00 -0.82 -4.99 105.19 105.78 3iqz n GLY 152 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 1.17 0.00 1.61 2.07 -1.48 0.44 116.25 120.07 3iqz h VAL 153 Ca 0.00 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 3iqz h VAL 153 Cb 0.00 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3iqz h VAL 153 CO 0.00 0.18 -0.42 -0.26 0.02 0.00 0.00 177.57 177.09 3iqz h PHE 154 N 0.85 0.00 -0.27 1.57 0.05 -1.46 -1.57 116.94 116.12 3iqz h PHE 154 Ca 0.22 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.93 3iqz h PHE 154 Cb -0.05 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.89 3iqz h PHE 154 CO 0.00 0.42 -0.17 -0.09 -0.18 0.00 0.00 178.31 178.29 3iqz h ARG 155 N 0.00 0.47 -0.30 1.51 2.43 -1.19 0.12 114.38 117.42 3iqz h ARG 155 Ca -0.00 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 3iqz h ARG 155 Cb 0.75 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3iqz h ARG 155 CO 0.05 0.63 -0.01 0.28 -1.51 0.00 0.00 179.97 179.42 3iqz h VAL 156 N 0.43 1.26 0.12 0.20 2.07 -1.00 -0.84 116.25 118.49 3iqz h VAL 156 Ca 0.07 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3iqz h VAL 156 Cb 0.55 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3iqz h VAL 156 CO 0.04 0.31 -0.38 0.58 0.02 0.00 0.00 177.57 178.14 3iqz h VAL 157 N 0.34 0.22 -0.56 2.57 2.07 -1.21 -1.88 116.25 117.79 3iqz h VAL 157 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.72 3iqz h VAL 157 Cb 0.45 0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 30.34 3iqz h VAL 157 CO 0.02 0.00 -0.03 -0.61 0.02 0.00 0.00 177.57 176.97 3iqz h GLN 158 N -0.61 0.09 -0.87 1.57 4.15 -0.64 -0.52 115.11 118.29 3iqz h GLN 158 Ca 0.03 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.48 3iqz h GLN 158 Cb 0.64 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.26 3iqz h GLN 158 CO -0.22 0.06 0.56 0.93 -1.93 0.00 0.00 178.83 178.22 3iqz h GLU 159 N 0.09 1.05 -0.20 1.69 5.08 -1.04 -0.41 114.58 120.84 3iqz h GLU 159 Ca 0.28 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3iqz h GLU 159 Cb 0.44 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3iqz h GLU 159 CO -0.49 0.70 -0.03 0.00 -1.00 0.00 0.00 179.01 178.18 3iqz h ALA 160 N 1.36 0.27 -0.54 3.43 0.00 -0.27 -1.78 119.26 121.74 3iqz h ALA 160 Ca 0.35 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3iqz h ALA 160 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3iqz h ALA 160 CO -0.12 0.03 0.05 0.74 0.00 0.00 0.00 179.25 179.95 3iqz h PHE 161 N 0.11 0.93 -0.82 0.00 -1.00 -1.20 -2.25 116.94 112.71 3iqz h PHE 161 Ca 0.05 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 3iqz h PHE 161 Cb 0.46 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.72 3iqz h PHE 161 CO 0.05 0.82 0.46 -0.44 -1.61 0.00 0.00 178.31 177.59 3iqz h ASP 162 N 0.83 1.00 -0.36 2.17 3.45 -0.83 0.20 116.42 122.88 3iqz h ASP 162 Ca 0.17 -0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.52 3iqz h ASP 162 Cb 0.42 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3iqz h ASP 162 CO 0.01 0.79 0.09 -0.33 -1.57 0.00 0.00 179.24 178.24 3iqz h GLU 163 N 1.14 0.58 -0.68 3.56 5.08 -1.01 -2.17 114.58 121.09 3iqz h GLU 163 Ca 0.29 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3iqz h GLU 163 Cb 0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3iqz h GLU 163 CO -0.05 0.62 0.28 1.25 -1.00 0.00 0.00 179.01 180.11 3iqz h LEU 164 N 0.43 0.93 -1.10 1.33 5.85 -0.94 -2.36 115.31 119.45 3iqz h LEU 164 Ca 0.11 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3iqz h LEU 164 Cb 0.30 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3iqz h LEU 164 CO 0.00 0.84 0.49 0.40 -0.34 0.00 0.00 178.44 179.83 3iqz h ILE 165 N 0.96 1.23 -0.39 4.05 2.04 -0.49 0.14 117.51 125.05 3iqz h ILE 165 Ca 0.23 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3iqz h ILE 165 Cb 0.19 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3iqz h ILE 165 CO -0.02 0.24 0.10 -0.33 0.00 0.00 0.00 178.15 178.14 3iqz h GLU 166 N 1.13 0.56 -0.02 2.37 4.39 -0.94 -1.52 114.58 120.56 3iqz h GLU 166 Ca 0.29 -0.09 -0.22 0.00 0.34 0.00 0.00 59.36 59.68 3iqz h GLU 166 Cb -0.04 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3iqz h GLU 166 CO -0.05 0.51 -0.91 0.87 -1.16 0.00 0.00 179.01 178.26 3iqz h LYS 167 N 0.55 0.45 -0.75 2.33 1.79 -0.78 -1.68 116.57 118.49 3iqz h LYS 167 Ca 0.13 -0.46 0.11 0.00 -2.18 0.00 0.00 60.65 58.25 3iqz h LYS 167 Cb 0.20 0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.92 3iqz h LYS 167 CO -0.01 1.11 0.49 0.00 -1.08 0.00 0.00 179.45 179.97 3iqz h ALA 168 N 0.73 1.90 0.01 3.86 0.00 -0.43 -1.61 119.26 123.72 3iqz h ALA 168 Ca -0.08 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 3iqz h ALA 168 Cb 1.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 3iqz h ALA 168 CO 0.16 -0.07 -0.91 0.87 0.00 0.00 0.00 179.25 179.30 3iqz h LYS 169 N 0.59 0.08 0.00 0.00 1.57 -0.78 -2.25 116.57 115.77 3iqz h LYS 169 Ca 0.35 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3iqz h LYS 169 Cb 0.58 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3iqz h LYS 169 CO -0.13 0.93 0.00 0.39 -0.57 0.00 0.00 179.45 180.08 3iqz n GLU 170 N -3.54 0.23 -0.47 3.15 -0.58 -0.68 -4.89 120.64 113.87 3iqz n GLU 170 Ca -0.02 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 3iqz n GLU 170 Cb 0.85 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 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 -1.28 0.00 -3.98 1.62 4.64 -0.66 -4.99 116.55 111.90 3iqz n ASP 171 Ca 0.08 0.00 -0.23 0.00 -1.38 0.00 0.00 54.79 53.26 3iqz n ASP 171 Cb 0.13 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.04 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 -0.23 1.40 -0.32 -0.67 8.01 -1.23 -5.03 118.70 120.64 3iqz s GLU 172 Ca 0.00 -0.32 0.01 0.00 0.01 0.00 0.00 54.97 54.68 3iqz s GLU 172 Cb 0.00 -1.21 0.08 0.00 -4.31 0.00 0.00 34.13 28.69 3iqz s GLU 172 CO 0.00 0.00 0.02 0.42 0.01 0.00 0.00 175.26 175.71 3iqz s ILE 173 N 0.70 2.55 0.64 -1.63 1.01 -1.26 -4.62 121.20 118.59 3iqz s ILE 173 Ca -0.13 -1.89 -0.05 0.00 0.00 0.00 0.00 60.65 58.58 3iqz s ILE 173 Cb -0.15 -2.66 0.04 0.00 0.01 0.00 0.00 42.46 39.70 3iqz s ILE 173 CO 0.03 -0.34 0.94 -0.94 0.00 0.00 0.00 174.94 174.62 3iqz s SER 174 N 1.18 5.13 0.56 3.58 1.04 -1.26 -4.92 113.70 119.01 3iqz s SER 174 Ca 0.01 0.45 0.24 0.00 0.48 0.00 0.00 55.95 57.13 3iqz s SER 174 Cb -0.20 -1.25 1.60 0.00 0.10 0.00 0.00 66.02 66.28 3iqz s SER 174 CO -0.05 -1.36 2.21 -0.33 0.98 0.00 0.00 173.24 174.70 3iqz h GLU 175 N -0.35 0.00 0.00 4.02 5.08 -1.98 -1.70 114.58 119.65 3iqz h GLU 175 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3iqz h GLU 175 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 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 0.36 1.42 2.35 -1.98 -2.70 115.58 115.03 3iqz h ASN 176 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3iqz h ASN 176 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3iqz h ASN 176 CO -0.00 0.00 -1.66 0.47 -1.65 0.00 0.00 177.43 174.59 3iqz n ASP 177 N -2.34 0.31 -4.71 5.81 10.43 -0.64 -4.95 116.55 120.45 3iqz n ASP 177 Ca 0.01 0.12 -0.42 0.00 2.57 0.00 0.00 54.79 57.07 3iqz n ASP 177 Cb 0.16 1.40 -0.03 0.00 1.84 0.00 0.00 41.12 44.49 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 -4.87 4.37 0.51 0.64 1.43 -1.02 -4.85 118.68 114.90 3iqz s LEU 178 Ca -0.05 2.57 -0.23 0.00 -1.03 0.00 0.00 54.13 55.39 3iqz s LEU 178 Cb 0.12 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 3iqz s LEU 178 CO 0.86 -0.81 1.35 -2.16 0.23 0.00 0.00 176.35 175.82 3iqz s PRO 179 N 1.29 3.34 -0.53 1.29 0.04 -1.26 -4.81 135.00 134.35 3iqz s PRO 179 Ca 0.70 2.22 0.05 0.00 0.04 0.00 0.00 61.00 64.01 3iqz s PRO 179 Cb -0.43 -2.37 0.19 0.00 0.04 0.00 0.00 34.50 31.94 3iqz s PRO 179 CO 0.31 -1.03 0.47 1.63 0.04 0.00 0.00 177.00 178.42 3iqz n LYS 180 N -0.77 1.09 -5.01 4.56 5.02 -1.24 -0.17 118.16 121.64 3iqz n LYS 180 Ca 0.09 -3.79 -0.32 0.00 -2.02 0.00 0.00 58.31 52.26 3iqz n LYS 180 Cb 0.45 -1.88 -0.14 0.00 -0.02 0.00 0.00 35.03 33.44 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 -0.93 2.51 -0.21 -0.35 1.43 -0.70 -4.98 118.68 115.43 3iqz s LEU 181 Ca 0.32 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3iqz s LEU 181 Cb 0.05 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.80 3iqz s LEU 181 CO -0.15 0.30 -0.15 -0.69 0.23 0.00 0.00 176.35 175.88 3iqz s VAL 182 N -0.47 2.18 -0.14 -1.59 1.01 -1.26 -0.80 120.40 119.34 3iqz s VAL 182 Ca 0.06 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 3iqz s VAL 182 Cb -0.12 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3iqz s VAL 182 CO 0.01 0.31 0.04 -0.63 0.00 0.00 0.00 175.10 174.83 3iqz s ILE 183 N 1.23 4.62 0.33 2.22 1.01 0.13 -4.93 121.20 125.81 3iqz s ILE 183 Ca -0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 3iqz s ILE 183 Cb -0.16 -3.02 0.05 0.00 0.01 0.00 0.00 42.46 39.34 3iqz s ILE 183 CO -0.09 0.53 0.66 -0.90 0.00 0.00 0.00 174.94 175.14 3iqz n ASP 184 N 2.87 -1.91 -0.34 3.58 5.68 -1.26 -1.42 116.55 123.75 3iqz n ASP 184 Ca -0.18 -2.31 0.14 0.00 -0.50 0.00 0.00 54.79 51.94 3iqz n ASP 184 Cb 0.53 3.18 0.28 0.00 -1.14 0.00 0.00 41.12 43.97 3iqz n ASP 184 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3iqz n ARG 185 N -0.45 -0.08 0.26 0.11 0.63 -1.26 -0.04 116.66 115.84 3iqz n ARG 185 Ca -0.07 1.48 0.17 0.00 -0.92 0.00 0.00 57.85 58.51 3iqz n ARG 185 Cb 0.49 -2.34 0.75 0.00 0.45 0.00 0.00 32.46 31.82 3iqz n ARG 185 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3iqz h ASN 186 N 0.00 0.00 -0.92 6.15 2.35 -1.96 -2.98 115.58 118.22 3iqz h ASN 186 Ca 0.59 0.00 0.21 0.00 -0.55 0.00 0.00 56.30 56.55 3iqz h ASN 186 Cb 1.21 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.51 3iqz h ASN 186 CO -0.93 0.00 0.61 0.74 -1.65 0.00 0.00 177.43 176.20 3iqz h THR 187 N 0.00 0.67 0.00 2.81 2.02 -0.81 -0.69 112.91 116.90 3iqz h THR 187 Ca 0.00 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3iqz h THR 187 Cb 0.37 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3iqz h THR 187 CO 0.00 0.08 -0.13 -0.07 0.37 0.00 0.00 175.52 175.77 3iqz h LEU 188 N 0.42 0.00 -1.55 2.58 3.38 -1.69 -2.48 115.31 115.97 3iqz h LEU 188 Ca 0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.41 3iqz h LEU 188 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3iqz h LEU 188 CO -0.19 0.13 -0.20 -0.07 0.09 0.00 0.00 178.44 178.20 3iqz h LEU 189 N 0.00 0.00 -1.22 1.67 3.38 -1.34 -1.58 115.31 116.22 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 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3iqz h LEU 189 CO 0.02 0.20 0.00 -0.62 0.09 0.00 0.00 178.44 178.13 3iqz n GLU 190 N -3.62 1.81 -4.51 1.13 1.02 -0.93 -4.95 120.64 110.58 3iqz n GLU 190 Ca -0.01 -1.21 -0.27 0.00 -0.02 0.00 0.00 57.16 55.65 3iqz n GLU 190 Cb 0.33 -1.41 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.78 2.03 -0.36 3.49 0.52 -0.60 -5.05 118.95 117.20 3iqz s ARG 191 Ca 0.33 -2.06 0.06 0.00 -0.52 0.00 0.00 55.73 53.54 3iqz s ARG 191 Cb 0.18 -1.72 0.47 0.00 0.52 0.00 0.00 34.95 34.40 3iqz s ARG 191 CO 0.27 -0.08 1.42 0.39 0.02 0.00 0.00 175.30 177.33 3iqz n GLU 192 N -1.04 2.89 -0.01 3.54 -0.58 -1.26 -4.84 120.64 119.33 3iqz n GLU 192 Ca -0.04 -3.72 -0.11 0.00 -0.42 0.00 0.00 57.16 52.87 3iqz n GLU 192 Cb 0.66 -2.13 -0.05 0.00 -0.57 0.00 0.00 31.44 29.36 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 1.79 0.17 -5.18 3.49 4.57 -1.97 -3.42 114.58 114.04 3iqz h GLU 193 Ca 0.36 -0.01 -0.62 0.00 -1.18 0.00 0.00 59.36 57.91 3iqz h GLU 193 Cb 1.39 -0.04 -0.15 0.00 -0.16 0.00 0.00 28.75 29.79 3iqz h GLU 193 CO 0.79 0.11 -0.53 -0.06 -1.18 0.00 0.00 179.01 178.14 3iqz s PHE 194 N -6.18 3.29 0.24 0.92 0.08 -1.26 -4.68 117.98 110.38 3iqz s PHE 194 Ca -0.13 0.13 -0.01 0.00 0.12 0.00 0.00 56.93 57.04 3iqz s PHE 194 Cb 0.08 -2.18 0.26 0.00 -0.57 0.00 0.00 43.02 40.61 3iqz s PHE 194 CO 0.68 0.10 1.64 1.49 -0.10 0.00 0.00 175.22 179.03 3iqz h GLU 195 N 7.13 0.61 -5.39 0.44 4.22 -1.82 -3.43 114.58 116.33 3iqz h GLU 195 Ca -0.38 -0.26 -0.60 0.00 0.08 0.00 0.00 59.36 58.20 3iqz h GLU 195 Cb 1.17 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.28 3iqz h GLU 195 CO 0.69 0.84 -0.33 1.21 -2.18 0.00 0.00 179.01 179.24 3iqz s ASN 196 N -6.81 6.37 0.34 1.04 2.47 -1.26 -4.99 114.94 112.11 3iqz s ASN 196 Ca -0.08 0.43 0.09 0.00 0.42 0.00 0.00 52.86 53.72 3iqz s ASN 196 Cb 0.13 -2.18 0.63 0.00 -1.45 0.00 0.00 41.25 38.38 3iqz s ASN 196 CO 0.82 0.04 1.81 1.55 -3.72 0.00 0.00 177.10 177.60 3iqz h PRO 197 N 7.02 0.21 -0.17 0.43 0.13 -2.01 -1.68 132.00 135.94 3iqz h PRO 197 Ca -0.39 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 3iqz h PRO 197 Cb 1.16 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3iqz h PRO 197 CO 0.73 0.48 -0.34 1.88 -0.23 0.00 0.00 178.00 180.52 3iqz h TYR 198 N 0.19 0.40 -0.60 1.56 0.05 -1.98 -1.85 116.97 114.74 3iqz h TYR 198 Ca 0.03 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 3iqz h TYR 198 Cb 0.60 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 3iqz h TYR 198 CO 0.01 0.65 0.37 0.00 -1.05 0.00 0.00 178.16 178.14 3iqz h ALA 199 N 1.34 1.52 -0.32 3.88 0.00 -1.60 -1.64 119.26 122.45 3iqz h ALA 199 Ca 0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3iqz h ALA 199 Cb 0.75 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3iqz h ALA 199 CO 0.06 0.42 -0.08 1.98 0.00 0.00 0.00 179.25 181.63 3iqz h MET 200 N 0.82 0.61 -0.17 0.00 1.85 -1.07 0.00 114.93 116.98 3iqz h MET 200 Ca 0.22 -0.24 -0.18 0.00 -0.61 0.00 0.00 59.70 58.89 3iqz h MET 200 Cb -0.05 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 31.95 3iqz h MET 200 CO -0.04 0.80 -0.64 -0.39 -0.40 0.00 0.00 176.91 176.24 3iqz h VAL 201 N 0.39 1.32 -0.19 -5.77 -1.51 -1.12 0.21 116.25 109.58 3iqz h VAL 201 Ca 0.08 -1.91 0.02 0.00 -1.23 0.00 0.00 66.70 63.66 3iqz h VAL 201 Cb 0.57 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.59 3iqz h VAL 201 CO 0.03 0.59 0.04 0.11 -1.23 0.00 0.00 177.57 177.12 3iqz h LYS 202 N 0.44 0.11 -0.93 5.19 1.57 -1.33 -1.17 116.57 120.45 3iqz h LYS 202 Ca -0.01 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.89 3iqz h LYS 202 Cb 1.21 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.42 3iqz h LYS 202 CO 0.12 0.07 0.60 0.00 -0.57 0.00 0.00 179.45 179.67 3iqz h ALA 203 N 1.13 1.70 -0.53 3.86 0.00 -0.59 -1.72 119.26 123.10 3iqz h ALA 203 Ca 0.08 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3iqz h ALA 203 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3iqz h ALA 203 CO -0.11 0.06 0.06 0.52 0.00 0.00 0.00 179.25 179.79 3iqz h MET 204 N 0.82 0.90 -0.57 0.00 2.86 -0.18 -1.96 114.93 116.81 3iqz h MET 204 Ca 0.46 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 3iqz h MET 204 Cb 0.60 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 3iqz h MET 204 CO -0.23 0.89 0.20 0.00 1.06 0.00 0.00 176.91 178.83 3iqz h ALA 205 N 0.97 1.29 -0.35 6.32 0.00 -0.80 0.37 119.26 127.06 3iqz h ALA 205 Ca 0.16 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3iqz h ALA 205 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iqz h ALA 205 CO 0.02 0.52 -0.28 0.00 0.00 0.00 0.00 179.25 179.51 3iqz h ALA 206 N 1.40 0.51 0.00 0.00 0.00 -1.06 -0.19 119.26 119.92 3iqz h ALA 206 Ca 0.19 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3iqz h ALA 206 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3iqz h ALA 206 CO -0.01 0.52 -0.30 -0.07 0.00 0.00 0.00 179.25 179.39 3iqz h LEU 207 N 0.59 0.00 -0.04 0.00 3.38 -0.86 -1.20 115.31 117.18 3iqz h LEU 207 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3iqz h LEU 207 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3iqz h LEU 207 CO 0.07 0.30 -0.31 -0.08 0.09 0.00 0.00 178.44 178.51 3iqz h GLU 208 N 0.00 0.28 -0.22 1.13 4.57 -0.42 -1.60 114.58 118.31 3iqz h GLU 208 Ca -0.00 -0.25 0.03 0.00 -1.18 0.00 0.00 59.36 57.96 3iqz h GLU 208 Cb 0.67 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 3iqz h GLU 208 CO 0.04 0.91 0.03 0.82 -1.18 0.00 0.00 179.01 179.63 3iqz h ILE 209 N -0.28 0.89 -0.69 2.32 2.04 -0.94 -0.93 117.51 119.93 3iqz h ILE 209 Ca -0.03 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.86 3iqz h ILE 209 Cb 0.99 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 3iqz h ILE 209 CO 0.06 0.02 0.37 0.00 0.00 0.00 0.00 178.15 178.61 3iqz h ALA 210 N 1.17 0.93 -0.42 1.87 0.00 -1.23 0.21 119.26 121.78 3iqz h ALA 210 Ca 0.10 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3iqz h ALA 210 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3iqz h ALA 210 CO -0.14 0.03 -0.05 1.49 0.00 0.00 0.00 179.25 180.58 3iqz h GLU 211 N 0.67 0.71 0.00 0.00 4.81 -0.98 -2.56 114.58 117.23 3iqz h GLU 211 Ca 0.31 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3iqz h GLU 211 Cb 0.23 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3iqz h GLU 211 CO -0.20 0.76 -0.18 -0.91 -0.73 0.00 0.00 179.01 177.74 3iqz h ASN 212 N 0.66 0.00 -1.00 1.04 2.35 0.39 -2.27 115.58 116.76 3iqz h ASN 212 Ca 0.13 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.99 3iqz h ASN 212 Cb 0.48 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.77 3iqz h ASN 212 CO 0.02 0.18 0.63 0.58 -1.65 0.00 0.00 177.43 177.20 3iqz h VAL 213 N 0.00 0.94 -0.72 2.81 2.07 -0.66 -2.50 116.25 118.18 3iqz h VAL 213 Ca -0.00 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.29 3iqz h VAL 213 Cb 0.33 -0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 29.86 3iqz h VAL 213 CO 0.02 0.18 0.31 0.00 0.02 0.00 0.00 177.57 178.11 3iqz h ALA 214 N 1.53 1.00 -0.40 1.67 0.00 -1.46 -0.61 119.26 120.99 3iqz h ALA 214 Ca 0.49 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.37 3iqz h ALA 214 Cb 0.45 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3iqz h ALA 214 CO -0.25 -0.14 -0.21 -0.44 0.00 0.00 0.00 179.25 178.21 3iqz h ASP 215 N 0.50 0.78 -0.09 0.00 3.45 -1.62 0.12 116.42 119.58 3iqz h ASP 215 Ca 0.38 -0.28 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 3iqz h ASP 215 Cb 0.49 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.04 3iqz h ASP 215 CO -0.34 0.97 -0.01 0.58 -1.57 0.00 0.00 179.24 178.88 3iqz h VAL 216 N 0.68 1.26 -0.43 -1.35 2.07 -1.39 -0.16 116.25 116.94 3iqz h VAL 216 Ca 0.10 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.81 3iqz h VAL 216 Cb 0.71 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 3iqz h VAL 216 CO 0.05 0.24 0.21 0.28 0.02 0.00 0.00 177.57 178.37 3iqz h SER 217 N -0.14 0.30 -0.71 0.57 0.02 -0.90 -0.77 113.55 111.93 3iqz h SER 217 Ca 0.02 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3iqz h SER 217 Cb 0.37 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3iqz h SER 217 CO 0.01 0.22 0.34 0.58 -1.14 0.00 0.00 176.83 176.84 3iqz h VAL 218 N 0.43 1.23 0.03 2.27 2.07 -0.67 0.46 116.25 122.07 3iqz h VAL 218 Ca 0.19 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3iqz h VAL 218 Cb 0.10 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3iqz h VAL 218 CO -0.14 0.27 -0.08 -0.08 0.02 0.00 0.00 177.57 177.56 3iqz h GLU 219 N 0.98 -0.15 -0.06 1.57 4.81 -0.62 0.17 114.58 121.28 3iqz h GLU 219 Ca 0.24 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3iqz h GLU 219 Cb 0.11 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3iqz h GLU 219 CO -0.03 -0.10 -0.19 0.78 -0.73 0.00 0.00 179.01 178.74 3iqz h GLY 220 N -0.16 0.11 0.53 1.92 0.00 -0.88 0.64 103.07 105.23 3iqz h GLY 220 Ca 0.02 -0.07 -0.31 0.00 0.00 0.00 0.00 47.33 46.98 3iqz h GLY 220 CO -0.06 0.06 -1.99 0.00 0.00 0.00 0.00 176.54 174.55 3iqz n PHE 222 N -2.88 0.00 0.02 0.00 3.72 0.58 -4.91 117.46 113.98 3iqz n PHE 222 Ca -0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.16 3iqz n PHE 222 Cb 1.07 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.60 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 -1.13 0.75 -2.12 -4.37 0.31 -0.83 -5.00 118.33 105.95 3iqz n VAL 223 Ca 0.00 0.20 -0.41 0.00 -0.01 0.00 0.00 64.34 64.12 3iqz n VAL 223 Cb 0.00 -1.59 -0.03 0.00 -0.91 0.00 0.00 33.84 31.31 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 -2.06 4.33 0.00 5.55 2.56 0.16 -4.90 118.70 124.33 3iqz s GLU 224 Ca -0.03 2.17 0.08 0.00 0.00 0.00 0.00 54.97 57.19 3iqz s GLU 224 Cb 0.01 -3.16 -0.07 0.00 2.00 0.00 0.00 34.13 32.90 3iqz s GLU 224 CO 0.03 -0.35 0.37 1.04 -0.56 0.00 0.00 175.26 175.80 3iqz n GLN 225 N 2.64 4.06 -3.28 4.30 1.13 -1.26 -4.79 117.38 120.17 3iqz n GLN 225 Ca 0.07 -0.09 -0.40 0.00 -1.94 0.00 0.00 57.00 54.65 3iqz n GLN 225 Cb 0.41 -0.90 -0.08 0.00 0.11 0.00 0.00 30.24 29.79 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 -1.66 6.36 0.42 1.08 3.68 -1.26 -4.95 116.67 120.33 3iqz s ASP 226 Ca 0.04 0.36 0.28 0.00 2.13 0.00 0.00 52.55 55.36 3iqz s ASP 226 Cb 0.06 -2.26 1.01 0.00 -1.45 0.00 0.00 42.92 40.28 3iqz s ASP 226 CO 0.31 -0.29 1.82 0.07 0.13 0.00 0.00 175.17 177.21 3iqz h LYS 227 N 8.14 0.00 0.00 4.34 2.10 -1.97 0.58 116.57 129.75 3iqz h LYS 227 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 3iqz h LYS 227 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3iqz h LYS 227 CO 0.70 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 179.08 3iqz h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -2.54 114.58 115.17 3iqz h GLU 228 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 3iqz h GLU 228 Cb 0.60 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 3iqz h GLU 228 CO 0.00 0.00 -2.25 0.54 -1.00 0.00 0.00 179.01 176.30 3iqz n ARG 229 N -2.76 0.50 0.05 2.33 1.74 0.16 -4.58 116.66 114.10 3iqz n ARG 229 Ca 0.01 0.18 -0.04 0.00 -0.77 0.00 0.00 57.85 57.23 3iqz n ARG 229 Cb 0.26 -1.35 0.19 0.00 -1.02 0.00 0.00 32.46 30.54 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 -0.53 0.43 0.36 -1.55 -0.00 -0.30 -2.09 116.97 113.29 3iqz h TYR 230 Ca -0.54 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.73 58.07 3iqz h TYR 230 Cb 1.59 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 38.21 3iqz h TYR 230 CO -0.04 0.70 -0.26 0.28 -0.00 0.00 0.00 178.16 178.84 3iqz h VAL 231 N 0.31 0.46 -0.12 -0.90 2.07 -1.69 -0.17 116.25 116.21 3iqz h VAL 231 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3iqz h VAL 231 Cb 0.81 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3iqz h VAL 231 CO 0.06 0.00 -0.03 -0.65 0.02 0.00 0.00 177.57 176.98 3iqz h PRO 232 N -0.61 0.17 -0.13 1.57 0.11 -1.78 -1.23 132.00 130.11 3iqz h PRO 232 Ca -0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3iqz h PRO 232 Cb 0.52 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3iqz h PRO 232 CO 0.01 0.21 0.03 0.82 -0.21 0.00 0.00 178.00 178.86 3iqz h ILE 233 N 0.17 1.20 -0.31 4.15 2.04 -1.00 -0.43 117.51 123.32 3iqz h ILE 233 Ca 0.04 -0.64 -0.12 0.00 1.00 0.00 0.00 64.86 65.14 3iqz h ILE 233 Cb 0.16 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3iqz h ILE 233 CO 0.01 0.19 -0.31 -0.37 0.00 0.00 0.00 178.15 177.66 3iqz h VAL 234 N -0.00 1.28 -0.52 1.67 -1.51 -0.81 -2.24 116.25 114.12 3iqz h VAL 234 Ca 0.04 -1.44 -0.01 0.00 -1.23 0.00 0.00 66.70 64.06 3iqz h VAL 234 Cb 0.27 1.38 -0.03 0.00 -2.13 0.00 0.00 31.29 30.78 3iqz h VAL 234 CO 0.00 0.47 0.28 0.00 -1.23 0.00 0.00 177.57 177.09 3iqz h ALA 235 N 1.08 1.52 0.00 5.19 0.00 -1.07 -2.33 119.26 123.64 3iqz h ALA 235 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3iqz h ALA 235 Cb 0.82 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3iqz h ALA 235 CO 0.07 0.40 -0.32 0.66 0.00 0.00 0.00 179.25 180.06 3iqz h SER 236 N 0.72 0.00 -0.74 0.00 4.64 -0.46 -2.59 113.55 115.12 3iqz h SER 236 Ca 0.18 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 3iqz h SER 236 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3iqz h SER 236 CO -0.03 0.32 0.26 0.00 -0.87 0.00 0.00 176.83 176.51 3iqz h ALA 237 N 1.68 1.04 -0.38 5.18 0.00 -1.23 -2.19 119.26 123.36 3iqz h ALA 237 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3iqz h ALA 237 Cb 0.71 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3iqz h ALA 237 CO 0.04 0.66 -0.21 0.45 0.00 0.00 0.00 179.25 180.19 3iqz h HIS 238 N 1.11 0.83 -0.14 0.00 3.86 -1.35 -2.41 115.15 117.05 3iqz h HIS 238 Ca 0.25 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 59.19 3iqz h HIS 238 Cb 0.27 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3iqz h HIS 238 CO 0.02 0.88 -0.30 0.93 0.86 0.00 0.00 177.93 180.33 3iqz h GLU 239 N 0.65 0.26 0.79 2.45 4.39 -1.16 -1.75 114.58 120.21 3iqz h GLU 239 Ca 0.09 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3iqz h GLU 239 Cb 0.70 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3iqz h GLU 239 CO 0.05 0.54 -0.45 0.52 -1.16 0.00 0.00 179.01 178.51 3iqz h MET 240 N 0.23 -1.11 -0.83 2.33 2.86 -1.28 -2.40 114.93 114.73 3iqz h MET 240 Ca 0.03 0.08 0.10 0.00 -2.06 0.00 0.00 59.70 57.85 3iqz h MET 240 Cb 0.65 0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.50 3iqz h MET 240 CO 0.05 -0.74 0.54 1.98 1.06 0.00 0.00 176.91 179.79 3iqz h MET 241 N -1.16 0.74 -0.66 1.72 1.85 -1.29 0.62 114.93 116.76 3iqz h MET 241 Ca -0.10 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 58.93 3iqz h MET 241 Cb 0.92 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.75 3iqz h MET 241 CO 0.12 0.49 0.37 -0.09 -0.40 0.00 0.00 176.91 177.41 3iqz h ARG 242 N 0.77 0.91 -0.06 0.39 2.43 -1.28 -0.41 114.38 117.13 3iqz h ARG 242 Ca 0.39 -0.10 -0.18 0.00 -0.81 0.00 0.00 59.98 59.27 3iqz h ARG 242 Cb 0.46 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3iqz h ARG 242 CO -0.16 0.68 -0.75 0.87 -1.51 0.00 0.00 179.97 179.11 3iqz h LYS 243 N 0.90 0.33 -0.47 0.20 1.79 -0.56 -2.58 116.57 116.18 3iqz h LYS 243 Ca 0.23 -0.28 0.09 0.00 -2.18 0.00 0.00 60.65 58.51 3iqz h LYS 243 Cb 0.02 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.65 3iqz h LYS 243 CO -0.04 0.94 -0.10 0.00 -1.08 0.00 0.00 179.45 179.17 3iqz h ALA 244 N 0.98 0.34 -0.85 3.86 0.00 -0.78 -1.01 119.26 121.81 3iqz h ALA 244 Ca -0.03 0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.17 3iqz h ALA 244 Cb 1.32 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 3iqz h ALA 244 CO 0.12 -0.44 0.48 0.00 0.00 0.00 0.00 179.25 179.42 3iqz h ALA 245 N 1.47 1.23 -0.42 0.00 0.00 -0.86 -1.66 119.26 119.02 3iqz h ALA 245 Ca 0.23 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3iqz h ALA 245 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3iqz h ALA 245 CO -0.47 0.06 0.10 0.93 0.00 0.00 0.00 179.25 179.88 3iqz h GLU 246 N 0.77 0.67 -0.71 0.00 5.08 -1.05 -1.49 114.58 117.85 3iqz h GLU 246 Ca 0.42 -0.16 0.12 0.00 -1.00 0.00 0.00 59.36 58.74 3iqz h GLU 246 Cb 0.45 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 3iqz h GLU 246 CO -0.28 0.68 0.30 -0.07 -1.00 0.00 0.00 179.01 178.65 3iqz h LEU 247 N 0.54 0.33 -0.78 1.33 3.38 -0.82 0.48 115.31 119.77 3iqz h LEU 247 Ca 0.13 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3iqz h LEU 247 Cb 0.31 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3iqz h LEU 247 CO 0.00 0.16 0.13 0.00 0.09 0.00 0.00 178.44 178.83 3iqz h ALA 248 N 1.48 0.99 -0.42 1.53 0.00 -1.00 -1.37 119.26 120.48 3iqz h ALA 248 Ca 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iqz h ALA 248 Cb 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3iqz h ALA 248 CO -0.34 0.64 0.23 0.22 0.00 0.00 0.00 179.25 180.01 3iqz h ASP 249 N 1.00 0.52 -0.59 0.00 3.58 -0.89 -2.19 116.42 117.85 3iqz h ASP 249 Ca 0.20 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 3iqz h ASP 249 Cb 0.39 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 3iqz h ASP 249 CO 0.01 0.46 0.24 -0.08 -2.88 0.00 0.00 179.24 176.99 3iqz h GLU 250 N 0.55 0.92 -0.01 0.28 4.81 -0.56 -0.03 114.58 120.53 3iqz h GLU 250 Ca 0.15 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3iqz h GLU 250 Cb 0.05 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 3iqz h GLU 250 CO -0.02 0.76 0.00 0.00 -0.73 0.00 0.00 179.01 179.02 3iqz h ALA 251 N 1.36 0.01 -0.65 2.92 0.00 -0.99 -1.95 119.26 119.96 3iqz h ALA 251 Ca 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3iqz h ALA 251 Cb 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3iqz h ALA 251 CO -0.02 -0.41 0.28 -0.09 0.00 0.00 0.00 179.25 179.01 3iqz h ARG 252 N -0.13 0.96 -0.31 0.00 2.43 -1.12 -1.88 114.38 114.33 3iqz h ARG 252 Ca 0.00 -0.16 0.05 0.00 -0.81 0.00 0.00 59.98 59.06 3iqz h ARG 252 Cb 0.15 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3iqz h ARG 252 CO -0.00 0.79 0.21 0.93 -1.51 0.00 0.00 179.97 180.39 3iqz h GLU 253 N 0.91 0.21 -0.58 0.20 4.39 -0.86 -0.31 114.58 118.55 3iqz h GLU 253 Ca 0.22 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 3iqz h GLU 253 Cb 0.17 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3iqz h GLU 253 CO -0.02 0.14 0.17 -0.07 -1.16 0.00 0.00 179.01 178.07 3iqz h LEU 254 N 0.22 0.85 -0.95 1.33 3.38 -0.55 -1.67 115.31 117.91 3iqz h LEU 254 Ca 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3iqz h LEU 254 Cb 0.26 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3iqz h LEU 254 CO -0.02 0.84 0.40 -0.33 0.09 0.00 0.00 178.44 179.41 3iqz h GLU 255 N 0.82 1.14 -0.50 1.13 4.39 -0.74 -1.57 114.58 119.25 3iqz h GLU 255 Ca 0.19 -0.16 0.05 0.00 0.34 0.00 0.00 59.36 59.78 3iqz h GLU 255 Cb 0.30 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 3iqz h GLU 255 CO -0.00 0.87 0.23 0.87 -1.16 0.00 0.00 179.01 179.82 3iqz h LYS 256 N 1.14 0.44 0.00 2.33 1.57 -0.84 -0.22 116.57 120.99 3iqz h LYS 256 Ca 0.28 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3iqz h LYS 256 Cb 0.10 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3iqz h LYS 256 CO -0.04 0.29 -0.00 0.66 -0.57 0.00 0.00 179.45 179.79 3iqz h SER 257 N 0.45 0.00 -0.27 0.86 4.64 -0.33 0.82 113.55 119.72 3iqz h SER 257 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3iqz h SER 257 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3iqz h SER 257 CO -0.18 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.37 3iqz n ASN 258 N -3.33 2.82 -3.77 4.97 3.02 -0.92 -4.96 115.26 113.08 3iqz n ASN 258 Ca -0.03 -1.84 -0.25 0.00 -0.03 0.00 0.00 54.58 52.44 3iqz n ASN 258 Cb 0.08 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.88 -2.78 -0.78 6.41 2.03 0.28 -4.89 116.55 117.70 3iqz n ASP 259 Ca 0.13 -0.79 0.05 0.00 0.52 0.00 0.00 54.79 54.70 3iqz n ASP 259 Cb 0.44 -4.06 0.09 0.00 -0.72 0.00 0.00 41.12 36.88 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 -4.46 2.63 -2.36 -1.67 0.00 -0.16 -3.90 120.51 110.59 3iqz n ALA 260 Ca -0.16 -2.38 -0.43 0.00 0.00 0.00 0.00 53.44 50.47 3iqz n ALA 260 Cb 0.62 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.43 4.10 0.05 0.00 1.01 -1.15 -4.59 120.40 118.39 3iqz s VAL 261 Ca 0.28 1.40 -0.31 0.00 0.00 0.00 0.00 61.98 63.35 3iqz s VAL 261 Cb 0.28 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 3iqz s VAL 261 CO -0.07 -0.06 1.23 -0.22 0.00 0.00 0.00 175.10 175.98 3iqz s LEU 262 N 2.95 4.36 -0.06 3.92 2.96 -1.26 -4.04 118.68 127.51 3iqz s LEU 262 Ca 0.58 2.04 0.02 0.00 -0.22 0.00 0.00 54.13 56.55 3iqz s LEU 262 Cb -0.25 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.87 3iqz s LEU 262 CO 0.20 -0.52 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.49 3iqz s ARG 263 N 1.24 1.40 -0.62 1.98 0.52 -0.39 -4.99 118.95 118.09 3iqz s ARG 263 Ca 0.59 -0.32 0.05 0.00 -0.52 0.00 0.00 55.73 55.53 3iqz s ARG 263 Cb -0.30 -1.21 0.19 0.00 0.52 0.00 0.00 34.95 34.15 3iqz s ARG 263 CO 0.29 0.01 0.50 0.25 0.02 0.00 0.00 175.30 176.37 3iqz n THR 264 N 3.82 1.04 -1.81 0.02 -2.24 -1.26 -1.47 114.28 112.39 3iqz n THR 264 Ca -0.23 -4.58 -0.30 0.00 -2.27 0.00 0.00 64.05 56.66 3iqz n THR 264 Cb 0.52 -2.05 0.05 0.00 -2.10 0.00 0.00 70.33 66.74 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 2.88 0.14 -0.78 0.04 -1.24 -4.61 135.00 130.13 3iqz s PRO 265 Ca 0.29 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 61.75 3iqz s PRO 265 Cb 0.02 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 3iqz s PRO 265 CO -0.15 -1.04 0.58 -1.01 0.04 0.00 0.00 177.00 175.42 3iqz s HIS 266 N -3.27 3.65 0.62 0.56 3.76 -1.26 0.31 115.29 119.65 3iqz s HIS 266 Ca 0.58 1.15 -0.09 0.00 -0.15 0.00 0.00 55.06 56.55 3iqz s HIS 266 Cb -0.12 -2.43 -0.01 0.00 1.11 0.00 0.00 32.58 31.13 3iqz s HIS 266 CO 0.53 0.45 0.99 0.00 -0.85 0.00 0.00 174.74 175.85 3iqz s ALA 267 N -1.40 3.13 0.50 -1.40 0.00 0.99 -4.92 121.76 118.66 3iqz s ALA 267 Ca 0.37 -0.35 0.29 0.00 0.00 0.00 0.00 51.96 52.26 3iqz s ALA 267 Cb -0.16 -2.89 1.39 0.00 0.00 0.00 0.00 23.12 21.46 3iqz s ALA 267 CO 0.19 -0.79 1.85 -1.35 0.00 0.00 0.00 175.76 175.66 3iqz h PRO 268 N -0.31 0.10 -0.28 0.00 0.11 -1.89 0.14 132.00 129.88 3iqz h PRO 268 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3iqz h PRO 268 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3iqz h PRO 268 CO 0.62 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3iqz n ASP 269 N -4.33 2.07 0.00 -2.05 5.75 -1.26 -0.31 116.55 116.42 3iqz n ASP 269 Ca 0.21 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 3iqz n ASP 269 Cb 0.97 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 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 1.18 0.84 3.78 6.12 0.00 0.50 -4.73 105.19 112.87 3iqz n GLY 270 Ca 0.16 0.00 -0.41 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 -0.72 4.18 -0.32 1.61 2.47 -1.26 -4.73 119.74 120.98 3iqz s LYS 271 Ca 0.00 2.46 -0.14 0.00 -1.56 0.00 0.00 55.97 56.72 3iqz s LYS 271 Cb 0.00 -3.00 -0.02 0.00 -1.46 0.00 0.00 37.83 33.35 3iqz s LYS 271 CO 0.00 -0.43 0.34 0.08 0.16 0.00 0.00 175.35 175.50 3iqz s VAL 272 N -1.13 5.19 0.64 4.02 1.01 -1.26 -0.01 120.40 128.87 3iqz s VAL 272 Ca 0.52 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.68 3iqz s VAL 272 Cb -0.44 -3.75 0.13 0.00 0.00 0.00 0.00 36.38 32.31 3iqz s VAL 272 CO 0.60 0.01 0.89 0.18 0.00 0.00 0.00 175.10 176.78 3iqz n LEU 273 N 5.32 0.00 -3.67 3.92 4.77 0.15 -4.95 117.00 122.53 3iqz n LEU 273 Ca -0.10 -1.99 -0.15 0.00 -0.03 0.00 0.00 56.01 53.74 3iqz n LEU 273 Cb 0.50 -0.56 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 3iqz n LEU 273 CO 0.38 -0.91 0.18 -0.55 -1.33 0.00 0.00 177.39 175.17 3iqz s SER 274 N -4.65 -0.40 0.24 -1.43 0.15 -1.26 -3.68 113.70 102.67 3iqz s SER 274 Ca 0.60 0.45 -0.21 0.00 0.70 0.00 0.00 55.95 57.48 3iqz s SER 274 Cb -0.04 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.84 3iqz s SER 274 CO 0.39 -0.45 0.89 -1.59 1.20 0.00 0.00 173.24 173.68 3iqz s LYS 275 N -0.99 1.58 0.00 5.44 -2.85 -0.54 -1.33 119.74 121.05 3iqz s LYS 275 Ca -0.10 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 53.92 3iqz s LYS 275 Cb -0.03 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 3iqz s LYS 275 CO 0.05 -0.73 0.00 0.54 0.10 0.00 0.00 175.35 175.31 3iqz n ARG 276 N -0.53 0.00 -2.59 1.78 5.12 -1.26 -1.26 116.66 117.92 3iqz n ARG 276 Ca -0.05 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.45 3iqz n ARG 276 Cb 0.60 -0.42 -0.04 0.00 -1.16 0.00 0.00 32.46 31.44 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 -1.45 4.62 0.24 5.56 1.02 -1.25 -2.95 119.74 125.53 3iqz s LYS 277 Ca 0.00 1.61 -0.05 0.00 0.02 0.00 0.00 55.97 57.55 3iqz s LYS 277 Cb 0.00 -3.32 0.43 0.00 -0.52 0.00 0.00 37.83 34.41 3iqz s LYS 277 CO 0.00 0.10 1.72 0.35 -0.92 0.00 0.00 175.35 176.60 3iqz h PHE 278 N 5.45 0.43 -0.00 3.18 3.04 -1.90 -1.17 116.94 125.96 3iqz h PHE 278 Ca -0.43 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.55 3iqz h PHE 278 Cb 1.21 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.64 3iqz h PHE 278 CO 0.64 0.03 -0.17 -1.33 -2.02 0.00 0.00 178.31 175.46 3iqz n MET 279 N -5.04 0.53 -2.73 1.11 2.81 -1.26 -4.88 117.12 107.66 3iqz n MET 279 Ca 0.13 -0.21 -0.42 0.00 -1.81 0.00 0.00 57.70 55.39 3iqz n MET 279 Cb 0.40 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.38 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 -2.61 4.60 0.40 0.03 2.12 -0.45 -5.01 118.70 117.78 3iqz s GLU 280 Ca 0.24 1.41 -0.27 0.00 0.36 0.00 0.00 54.97 56.71 3iqz s GLU 280 Cb 0.19 -3.43 -0.10 0.00 0.26 0.00 0.00 34.13 31.05 3iqz s GLU 280 CO 0.52 0.05 1.43 -0.25 -0.54 0.00 0.00 175.26 176.47 3iqz n ASP 281 N 3.49 3.42 -4.77 -1.70 8.00 -1.26 -4.86 116.55 118.87 3iqz n ASP 281 Ca 0.04 1.18 -0.38 0.00 0.71 0.00 0.00 54.79 56.35 3iqz n ASP 281 Cb 0.50 -1.59 -0.04 0.00 -0.02 0.00 0.00 41.12 39.98 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 -2.20 4.24 0.00 -0.24 0.04 -1.26 -4.84 135.00 130.75 3iqz s PRO 282 Ca 0.57 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3iqz s PRO 282 Cb -0.48 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.36 3iqz s PRO 282 CO 0.61 -0.10 0.00 0.39 0.04 0.00 0.00 177.00 177.94