#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqg s ILE 3 N 0.00 3.42 0.12 0.00 1.01 -1.26 -5.10 121.20 119.39 3iqg s ILE 3 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 3iqg s ILE 3 Cb 0.00 -2.54 -0.06 0.00 0.01 0.00 0.00 42.46 39.86 3iqg s ILE 3 CO 0.00 0.43 1.10 -0.31 0.00 0.00 0.00 174.94 176.17 3iqg s TYR 4 N 1.32 3.57 0.40 3.97 2.02 -1.26 -4.93 117.35 122.44 3iqg s TYR 4 Ca 0.04 1.54 0.13 0.00 -0.37 0.00 0.00 57.07 58.41 3iqg s TYR 4 Cb -0.14 -3.28 0.84 0.00 -0.40 0.00 0.00 41.96 38.97 3iqg s TYR 4 CO -0.02 -0.67 1.90 0.00 -1.57 0.00 0.00 175.55 175.20 3iqg h ALA 5 N 5.77 1.53 -2.91 3.71 0.00 -1.99 -3.45 119.26 121.93 3iqg h ALA 5 Ca -0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 3iqg h ALA 5 Cb 1.21 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 3iqg h ALA 5 CO 0.75 0.36 0.02 0.16 0.00 0.00 0.00 179.25 180.53 3iqg s ASP 6 N -6.96 -0.06 0.48 0.00 1.47 -1.26 -5.07 116.67 105.27 3iqg s ASP 6 Ca -0.04 -0.89 0.19 0.00 1.18 0.00 0.00 52.55 53.00 3iqg s ASP 6 Cb 0.15 0.66 1.18 0.00 -0.34 0.00 0.00 42.92 44.57 3iqg s ASP 6 CO 0.72 -1.27 2.03 -1.13 0.68 0.00 0.00 175.17 176.19 3iqg h ASN 7 N 2.14 0.00 -0.57 2.11 -1.24 -1.88 -2.38 115.58 113.77 3iqg h ASN 7 Ca -0.25 0.00 0.05 0.00 0.71 0.00 0.00 56.30 56.82 3iqg h ASN 7 Cb 1.25 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.27 3iqg h ASN 7 CO 0.32 0.16 0.38 0.77 -1.29 0.00 0.00 177.43 177.77 3iqg h SER 8 N 0.00 0.50 0.82 1.15 4.64 -1.93 -2.33 113.55 116.40 3iqg h SER 8 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iqg h SER 8 Cb 0.32 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3iqg h SER 8 CO 0.02 0.33 0.00 -1.22 -0.87 0.00 0.00 176.83 175.09 3iqg n TYR 9 N -4.47 0.45 1.37 4.77 4.01 -0.89 -3.29 117.16 119.10 3iqg n TYR 9 Ca 0.08 0.16 0.10 0.00 -0.16 0.00 0.00 57.90 58.07 3iqg n TYR 9 Cb 0.21 -0.76 0.39 0.00 -0.31 0.00 0.00 39.34 38.87 3iqg n TYR 9 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3iqg n SER 10 N -1.89 1.33 -4.64 7.72 3.41 -0.88 -4.95 113.62 113.72 3iqg n SER 10 Ca 0.04 -1.68 -0.38 0.00 -0.26 0.00 0.00 58.87 56.59 3iqg n SER 10 Cb 0.26 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.17 3iqg n SER 10 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3iqg n ILE 11 N 0.11 3.89 -3.80 -1.33 -5.35 -1.21 -4.72 119.36 106.95 3iqg n ILE 11 Ca 0.15 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 3iqg n ILE 11 Cb 0.27 -1.24 0.00 0.00 -1.74 0.00 0.00 39.64 36.93 3iqg n ILE 11 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iqg n GLY 12 N 1.19 -0.61 4.00 3.28 0.00 -1.26 -4.96 105.19 106.82 3iqg n GLY 12 Ca 0.14 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 3iqg n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iqg n ASN 13 N 0.77 -2.24 -4.83 1.61 4.13 -1.26 -4.89 115.26 108.55 3iqg n ASN 13 Ca 0.00 -0.94 -0.33 0.00 1.68 0.00 0.00 54.58 54.99 3iqg n ASN 13 Cb 0.00 -3.25 -0.07 0.00 -1.54 0.00 0.00 39.78 34.92 3iqg n ASN 13 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3iqg s THR 14 N -3.59 4.52 0.48 3.41 -4.23 -1.26 -5.04 115.64 109.93 3iqg s THR 14 Ca 0.36 1.25 -0.12 0.00 -1.18 0.00 0.00 61.69 62.01 3iqg s THR 14 Cb -0.19 -3.64 -0.06 0.00 1.34 0.00 0.00 72.50 69.94 3iqg s THR 14 CO 0.88 -0.20 0.87 -2.16 -0.54 0.00 0.00 174.62 173.47 3iqg s PRO 15 N -2.95 3.79 -0.18 3.99 0.04 -1.26 -4.78 135.00 133.64 3iqg s PRO 15 Ca 0.57 0.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 3iqg s PRO 15 Cb -0.11 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 3iqg s PRO 15 CO 0.16 -0.20 0.13 -0.51 0.04 0.00 0.00 177.00 176.63 3iqg s LEU 16 N -4.18 4.26 -0.07 -3.56 1.43 -1.26 -1.68 118.68 113.61 3iqg s LEU 16 Ca 0.54 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 3iqg s LEU 16 Cb -0.10 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3iqg s LEU 16 CO 0.36 0.24 -0.13 -0.69 0.23 0.00 0.00 176.35 176.35 3iqg s VAL 17 N -0.00 1.23 0.12 -1.59 1.01 0.02 -4.94 120.40 116.25 3iqg s VAL 17 Ca 0.10 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 3iqg s VAL 17 Cb -0.11 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 3iqg s VAL 17 CO -0.00 0.38 1.11 -0.60 0.00 0.00 0.00 175.10 175.99 3iqg s ARG 18 N 0.72 4.55 0.15 2.72 3.52 -1.26 -0.16 118.95 129.18 3iqg s ARG 18 Ca -0.13 1.69 -0.27 0.00 -0.13 0.00 0.00 55.73 56.89 3iqg s ARG 18 Cb -0.16 -3.32 -0.07 0.00 -1.56 0.00 0.00 34.95 29.84 3iqg s ARG 18 CO 0.03 -0.03 0.86 -0.51 -0.81 0.00 0.00 175.30 174.84 3iqg s LEU 19 N 0.19 4.56 -0.12 -0.88 1.43 -0.03 -4.95 118.68 118.88 3iqg s LEU 19 Ca 0.52 1.72 0.16 0.00 -1.03 0.00 0.00 54.13 55.50 3iqg s LEU 19 Cb -0.28 -3.43 -0.24 0.00 0.03 0.00 0.00 46.19 42.27 3iqg s LEU 19 CO 0.32 0.10 0.35 0.29 0.23 0.00 0.00 176.35 177.65 3iqg n LYS 20 N 2.04 0.66 -0.26 1.70 5.02 -1.26 -4.59 118.16 121.48 3iqg n LYS 20 Ca -0.02 0.12 0.06 0.00 -2.02 0.00 0.00 58.31 56.45 3iqg n LYS 20 Cb 0.49 -1.64 0.19 0.00 -0.02 0.00 0.00 35.03 34.04 3iqg n LYS 20 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3iqg n HIS 21 N -2.87 0.61 -4.20 2.13 8.25 -1.26 -4.95 115.22 112.94 3iqg n HIS 21 Ca -0.25 -0.59 -0.12 0.00 -0.26 0.00 0.00 57.72 56.50 3iqg n HIS 21 Cb 1.09 -0.10 -0.10 0.00 1.12 0.00 0.00 29.99 32.00 3iqg n HIS 21 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3iqg s PHE 22 N -1.47 1.01 0.00 4.41 0.08 -1.26 -5.11 117.98 115.65 3iqg s PHE 22 Ca 0.29 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.39 3iqg s PHE 22 Cb 0.18 -0.58 0.00 0.00 -0.57 0.00 0.00 43.02 42.05 3iqg s PHE 22 CO 0.14 -0.17 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 3iqg n GLY 23 N -0.12 -0.93 2.77 4.36 0.00 -1.26 -4.71 105.19 105.31 3iqg n GLY 23 Ca -0.10 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 3iqg n GLY 23 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iqg s HIS 24 N 0.00 0.66 -1.50 1.61 2.46 -1.26 -4.85 115.29 112.42 3iqg s HIS 24 Ca 0.00 -0.16 -0.11 0.00 0.47 0.00 0.00 55.06 55.26 3iqg s HIS 24 Cb 0.00 -0.79 0.07 0.00 -0.13 0.00 0.00 32.58 31.73 3iqg s HIS 24 CO 0.00 -0.32 0.87 0.09 -2.47 0.00 0.00 174.74 172.91 3iqg n ASN 25 N 5.10 -3.61 -0.69 9.88 3.02 -1.26 -2.71 115.26 124.98 3iqg n ASN 25 Ca -0.08 -0.83 -0.08 0.00 -0.03 0.00 0.00 54.58 53.56 3iqg n ASN 25 Cb 0.50 -3.74 -0.03 0.00 -0.61 0.00 0.00 39.78 35.90 3iqg n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iqg n GLY 26 N -1.66 0.78 0.00 7.41 0.00 -1.26 -4.92 105.19 105.54 3iqg n GLY 26 Ca -0.05 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.45 3iqg n GLY 26 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iqg n ASN 27 N 0.64 0.00 -4.38 1.61 6.94 -1.10 -4.71 115.26 114.26 3iqg n ASN 27 Ca -0.08 -0.21 -0.34 0.00 -0.02 0.00 0.00 54.58 53.92 3iqg n ASN 27 Cb 0.34 -0.23 -0.13 0.00 -2.36 0.00 0.00 39.78 37.39 3iqg n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3iqg s VAL 28 N -2.46 3.53 0.03 3.53 1.01 -1.26 -0.40 120.40 124.38 3iqg s VAL 28 Ca 0.26 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.84 3iqg s VAL 28 Cb 0.17 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3iqg s VAL 28 CO 0.36 0.45 -0.17 0.68 0.00 0.00 0.00 175.10 176.42 3iqg s VAL 29 N 1.01 1.39 -0.03 2.92 -7.23 0.49 -0.85 120.40 118.10 3iqg s VAL 29 Ca 0.00 -0.99 0.06 0.00 -1.81 0.00 0.00 61.98 59.24 3iqg s VAL 29 Cb -0.15 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 3iqg s VAL 29 CO 0.00 0.19 -0.20 0.68 -0.31 0.00 0.00 175.10 175.47 3iqg s VAL 30 N -0.70 2.61 -0.26 1.32 -7.23 0.77 -0.81 120.40 116.11 3iqg s VAL 30 Ca 0.05 -0.93 -0.09 0.00 -1.81 0.00 0.00 61.98 59.20 3iqg s VAL 30 Cb -0.08 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3iqg s VAL 30 CO 0.01 0.56 0.14 -0.75 -0.31 0.00 0.00 175.10 174.75 3iqg s LYS 31 N -0.75 3.86 -0.91 4.82 2.20 0.28 -0.80 119.74 128.44 3iqg s LYS 31 Ca 0.11 -0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 55.20 3iqg s LYS 31 Cb -0.10 -3.51 0.19 0.00 -1.51 0.00 0.00 37.83 32.90 3iqg s LYS 31 CO 0.00 -0.13 0.97 0.42 -0.36 0.00 0.00 175.35 176.25 3iqg s ILE 32 N 1.56 5.26 -1.04 5.43 1.01 -0.68 -1.56 121.20 131.18 3iqg s ILE 32 Ca 0.07 -2.19 0.23 0.00 0.00 0.00 0.00 60.65 58.76 3iqg s ILE 32 Cb -0.15 -4.62 0.21 0.00 0.01 0.00 0.00 42.46 37.90 3iqg s ILE 32 CO 0.07 -1.26 1.75 -0.62 0.00 0.00 0.00 174.94 174.88 3iqg n GLU 33 N 4.99 0.03 0.31 2.79 -0.58 -0.56 -2.37 120.64 125.26 3iqg n GLU 33 Ca 0.20 0.10 0.18 0.00 -0.42 0.00 0.00 57.16 57.22 3iqg n GLU 33 Cb 0.47 -1.50 1.04 0.00 -0.57 0.00 0.00 31.44 30.88 3iqg n GLU 33 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3iqg h GLY 34 N 3.98 0.00 -7.14 0.62 0.00 -1.72 -3.21 103.07 95.60 3iqg h GLY 34 Ca 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.59 3iqg h GLY 34 CO 0.00 0.00 1.72 0.54 0.00 0.00 0.00 176.54 178.80 3iqg n ARG 35 N -3.54 3.46 -4.05 4.80 1.74 -1.00 -4.23 116.66 113.84 3iqg n ARG 35 Ca -0.03 -3.66 -0.10 0.00 -0.77 0.00 0.00 57.85 53.29 3iqg n ARG 35 Cb 0.08 -3.01 -0.08 0.00 -1.02 0.00 0.00 32.46 28.42 3iqg n ARG 35 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3iqg s ASN 36 N 2.04 0.14 0.35 0.55 0.01 -1.26 -4.64 114.94 112.13 3iqg s ASN 36 Ca 0.42 -1.03 0.07 0.00 -0.71 0.00 0.00 52.86 51.60 3iqg s ASN 36 Cb 0.03 0.39 0.74 0.00 0.41 0.00 0.00 41.25 42.82 3iqg s ASN 36 CO 0.00 -0.84 1.89 -0.65 -1.51 0.00 0.00 177.10 176.00 3iqg h PRO 37 N 2.66 0.75 -0.05 -0.60 0.11 -1.88 -1.72 132.00 131.26 3iqg h PRO 37 Ca -0.33 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3iqg h PRO 37 Cb 1.22 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3iqg h PRO 37 CO 0.52 0.50 -0.27 -1.13 -0.21 0.00 0.00 178.00 177.40 3iqg n SER 38 N -4.53 2.10 -0.86 -2.05 3.41 -1.26 -5.02 113.62 105.41 3iqg n SER 38 Ca 0.15 -3.60 -0.09 0.00 -0.26 0.00 0.00 58.87 55.08 3iqg n SER 38 Cb 0.37 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 3iqg n SER 38 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3iqg n TYR 39 N -1.19 -0.23 -4.02 7.33 4.01 -0.65 -4.88 117.16 117.53 3iqg n TYR 39 Ca 0.20 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.84 3iqg n TYR 39 Cb 0.72 -2.04 -0.06 0.00 -0.31 0.00 0.00 39.34 37.65 3iqg n TYR 39 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3iqg s SER 40 N -2.74 -0.06 0.00 7.72 1.04 -1.23 -3.99 113.70 114.45 3iqg s SER 40 Ca 0.00 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3iqg s SER 40 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3iqg s SER 40 CO 0.00 -1.11 0.11 0.55 0.98 0.00 0.00 173.24 173.77 3iqg n VAL 41 N -0.37 0.00 0.00 5.02 3.14 0.02 -4.50 118.33 121.64 3iqg n VAL 41 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 3iqg n VAL 41 Cb 0.62 -1.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 3iqg n VAL 41 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3iqg h ARG 44 N 0.00 0.75 0.04 0.00 3.08 -1.97 -1.48 114.38 114.82 3iqg h ARG 44 Ca 0.00 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 59.76 3iqg h ARG 44 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3iqg h ARG 44 CO 0.00 0.54 -1.04 -0.84 -1.07 0.00 0.00 179.97 177.56 3iqg h ILE 45 N 0.75 1.58 -0.12 2.04 3.07 -1.90 -1.66 117.51 121.27 3iqg h ILE 45 Ca 0.20 -3.05 0.03 0.00 1.55 0.00 0.00 64.86 63.59 3iqg h ILE 45 Cb -0.03 2.76 -0.03 0.00 -0.27 0.00 0.00 36.82 39.25 3iqg h ILE 45 CO -0.04 0.88 -0.07 1.23 -1.05 0.00 0.00 178.15 179.10 3iqg h GLY 46 N 2.17 0.03 0.94 0.16 0.00 -1.86 -0.15 103.07 104.37 3iqg h GLY 46 Ca -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3iqg h GLY 46 CO 0.16 -0.09 -0.14 0.00 0.00 0.00 0.00 176.54 176.47 3iqg h ALA 47 N 1.03 -0.40 -0.05 3.60 0.00 -1.25 -3.01 119.26 119.18 3iqg h ALA 47 Ca 0.07 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3iqg h ALA 47 Cb 0.18 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3iqg h ALA 47 CO -0.16 -0.69 -0.64 -0.97 0.00 0.00 0.00 179.25 176.78 3iqg h ASN 48 N -0.46 0.24 -0.50 0.00 -1.24 -1.19 -0.62 115.58 111.81 3iqg h ASN 48 Ca -0.04 -0.15 -0.10 0.00 0.71 0.00 0.00 56.30 56.73 3iqg h ASN 48 Cb 0.35 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 3iqg h ASN 48 CO 0.07 0.82 -0.04 0.24 -1.29 0.00 0.00 177.43 177.22 3iqg h MET 49 N 0.15 0.96 0.06 6.67 2.86 -1.10 0.80 114.93 125.33 3iqg h MET 49 Ca -0.01 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3iqg h MET 49 Cb 1.16 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3iqg h MET 49 CO 0.10 0.97 -0.03 0.28 1.06 0.00 0.00 176.91 179.29 3iqg h VAL 50 N 0.87 1.04 -0.72 -2.22 2.07 -1.36 -1.80 116.25 114.13 3iqg h VAL 50 Ca 0.15 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3iqg h VAL 50 Cb 0.57 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3iqg h VAL 50 CO 0.03 0.08 0.44 -0.50 0.02 0.00 0.00 177.57 177.65 3iqg h TRP 51 N -0.23 0.83 -0.43 1.57 6.55 -0.93 -0.47 115.95 122.84 3iqg h TRP 51 Ca -0.01 0.02 -0.12 0.00 0.95 0.00 0.00 58.89 59.73 3iqg h TRP 51 Cb 0.20 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.22 3iqg h TRP 51 CO -0.02 0.46 -0.21 1.96 -1.05 0.00 0.00 178.44 179.57 3iqg h GLN 52 N 0.86 0.87 -0.70 0.49 1.08 -0.86 -1.10 115.11 115.74 3iqg h GLN 52 Ca 0.30 -0.36 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 3iqg h GLN 52 Cb 0.05 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 3iqg h GLN 52 CO -0.12 1.00 0.23 0.00 -0.95 0.00 0.00 178.83 178.98 3iqg h ALA 53 N 1.00 0.92 0.16 3.87 0.00 -0.91 -0.92 119.26 123.37 3iqg h ALA 53 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iqg h ALA 53 Cb 0.75 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3iqg h ALA 53 CO 0.06 0.59 -0.17 0.93 0.00 0.00 0.00 179.25 180.66 3iqg h GLU 54 N 1.03 -0.35 -0.80 0.00 5.08 -0.92 -0.67 114.58 117.95 3iqg h GLU 54 Ca 0.23 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3iqg h GLU 54 Cb 0.29 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3iqg h GLU 54 CO -0.01 -0.23 0.53 0.87 -1.00 0.00 0.00 179.01 179.17 3iqg h LYS 55 N -0.36 1.01 -0.07 2.33 1.57 -0.98 -2.35 116.57 117.72 3iqg h LYS 55 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3iqg h LYS 55 Cb 0.35 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3iqg h LYS 55 CO -0.05 0.67 0.00 -0.40 -0.57 0.00 0.00 179.45 179.10 3iqg n ASP 56 N -4.43 1.87 -0.04 0.86 5.68 -0.37 -4.95 116.55 115.17 3iqg n ASP 56 Ca 0.09 -1.65 -0.01 0.00 -0.50 0.00 0.00 54.79 52.73 3iqg n ASP 56 Cb 0.06 -0.03 -0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3iqg n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iqg n GLY 57 N 1.21 0.47 0.20 6.12 0.00 -0.85 -4.90 105.19 107.44 3iqg n GLY 57 Ca 0.18 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.07 3iqg n GLY 57 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3iqg h THR 58 N 0.00 0.04 -3.14 2.61 1.35 -1.44 -3.43 112.91 108.90 3iqg h THR 58 Ca -0.01 -1.06 -0.67 0.00 -0.55 0.00 0.00 66.41 64.12 3iqg h THR 58 Cb 0.11 1.95 -0.34 0.00 -1.73 0.00 0.00 68.15 68.13 3iqg h THR 58 CO 0.02 0.02 -0.86 -0.22 -0.25 0.00 0.00 175.52 174.22 3iqg s LEU 59 N -6.09 2.11 0.15 3.87 2.96 -0.41 -4.90 118.68 116.36 3iqg s LEU 59 Ca 0.06 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 3iqg s LEU 59 Cb 0.06 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.25 3iqg s LEU 59 CO 0.69 0.04 -0.06 0.42 -1.32 0.00 0.00 176.35 176.13 3iqg s THR 60 N 1.02 0.94 0.10 3.68 -4.23 -1.26 -4.04 115.64 111.84 3iqg s THR 60 Ca -0.02 -2.01 -0.36 0.00 -1.18 0.00 0.00 61.69 58.12 3iqg s THR 60 Cb -0.14 -1.95 -0.18 0.00 1.34 0.00 0.00 72.50 71.57 3iqg s THR 60 CO -0.07 -0.65 1.09 1.17 -0.54 0.00 0.00 174.62 175.63 3iqg n LYS 61 N -0.21 0.63 0.00 3.99 4.81 -1.26 -1.41 118.16 124.71 3iqg n LYS 61 Ca -0.09 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3iqg n LYS 61 Cb 0.62 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3iqg n LYS 61 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iqg n GLY 62 N 1.95 2.92 3.76 3.14 0.00 -1.26 -5.02 105.19 110.68 3iqg n GLY 62 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3iqg n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iqg s LYS 63 N -0.10 3.21 -0.10 1.61 2.20 -0.50 -4.96 119.74 121.10 3iqg s LYS 63 Ca 0.00 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.44 3iqg s LYS 63 Cb 0.00 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.23 3iqg s LYS 63 CO 0.00 -1.02 -0.10 -2.00 -0.36 0.00 0.00 175.35 171.87 3iqg s GLU 64 N -3.15 3.11 0.12 4.03 2.12 0.44 -4.40 118.70 120.96 3iqg s GLU 64 Ca 0.73 -0.62 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 3iqg s GLU 64 Cb -0.30 -2.63 -0.06 0.00 0.26 0.00 0.00 34.13 31.40 3iqg s GLU 64 CO 0.34 0.42 1.05 0.42 -0.54 0.00 0.00 175.26 176.94 3iqg s ILE 65 N -0.16 4.23 -0.04 -3.70 1.01 -0.47 -1.09 121.20 120.99 3iqg s ILE 65 Ca 0.01 1.82 0.04 0.00 0.00 0.00 0.00 60.65 62.52 3iqg s ILE 65 Cb -0.13 -4.16 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 3iqg s ILE 65 CO 0.03 0.26 -0.16 -0.69 0.00 0.00 0.00 174.94 174.38 3iqg s VAL 66 N 0.14 1.32 0.25 2.92 1.01 0.48 -0.95 120.40 125.57 3iqg s VAL 66 Ca 0.50 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 3iqg s VAL 66 Cb -0.26 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 34.98 3iqg s VAL 66 CO 0.31 0.38 0.53 -0.62 0.00 0.00 0.00 175.10 175.71 3iqg s ASP 67 N 0.04 -0.13 -0.12 3.32 -1.08 -0.92 -4.04 116.67 113.74 3iqg s ASP 67 Ca -0.03 -0.85 0.15 0.00 -0.52 0.00 0.00 52.55 51.29 3iqg s ASP 67 Cb -0.11 0.62 0.35 0.00 -1.46 0.00 0.00 42.92 42.33 3iqg s ASP 67 CO 0.02 -1.19 1.25 0.00 0.52 0.00 0.00 175.17 175.77 3iqg n ALA 68 N -0.40 2.51 -2.63 3.66 0.00 -1.26 -1.30 120.51 121.09 3iqg n ALA 68 Ca -0.02 -2.11 -0.37 0.00 0.00 0.00 0.00 53.44 50.94 3iqg n ALA 68 Cb 0.61 -0.47 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 3iqg n ALA 68 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3iqg s THR 69 N -2.38 5.18 0.00 0.00 -1.32 -1.26 -4.77 115.64 111.09 3iqg s THR 69 Ca 0.31 0.68 0.00 0.00 -1.21 0.00 0.00 61.69 61.47 3iqg s THR 69 Cb 0.25 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 3iqg s THR 69 CO 0.07 0.53 0.61 -1.54 -2.21 0.00 0.00 174.62 172.07 3iqg n SER 70 N 2.35 1.04 -2.85 8.08 3.41 -1.26 -4.06 113.62 120.33 3iqg n SER 70 Ca -0.14 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 3iqg n SER 70 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3iqg n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iqg n GLY 71 N -0.18 0.74 0.32 5.00 0.00 -1.26 -4.68 105.19 105.12 3iqg n GLY 71 Ca 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 3iqg n GLY 71 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3iqg h ASN 72 N 0.00 0.83 -0.60 1.61 2.35 -2.00 -2.50 115.58 115.28 3iqg h ASN 72 Ca 0.00 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 3iqg h ASN 72 Cb 0.00 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3iqg h ASN 72 CO 0.00 0.75 0.03 0.74 -1.65 0.00 0.00 177.43 177.30 3iqg h THR 73 N 0.89 1.26 -0.62 2.81 2.02 -1.93 -0.61 112.91 116.73 3iqg h THR 73 Ca 0.21 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.30 3iqg h THR 73 Cb 0.19 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 3iqg h THR 73 CO -0.02 0.41 0.39 1.23 0.37 0.00 0.00 175.52 177.90 3iqg h GLY 74 N 1.01 0.88 0.94 2.16 0.00 -1.61 0.92 103.07 107.38 3iqg h GLY 74 Ca 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 3iqg h GLY 74 CO 0.03 0.26 0.11 -2.22 0.00 0.00 0.00 176.54 174.71 3iqg h ILE 75 N 0.77 1.23 -0.01 2.60 2.04 -1.21 -0.86 117.51 122.08 3iqg h ILE 75 Ca 0.24 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3iqg h ILE 75 Cb -0.01 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3iqg h ILE 75 CO -0.09 0.28 0.01 0.00 0.00 0.00 0.00 178.15 178.34 3iqg h ALA 76 N 0.96 0.01 -0.81 1.87 0.00 -0.77 -1.40 119.26 119.12 3iqg h ALA 76 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iqg h ALA 76 Cb 0.31 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3iqg h ALA 76 CO 0.00 -0.48 0.40 -0.07 0.00 0.00 0.00 179.25 179.10 3iqg h LEU 77 N -0.02 1.04 -0.08 0.00 3.38 -0.79 -1.90 115.31 116.95 3iqg h LEU 77 Ca 0.00 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3iqg h LEU 77 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3iqg h LEU 77 CO -0.00 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.40 3iqg h ALA 78 N 1.29 0.07 -0.53 1.53 0.00 -0.81 0.11 119.26 120.91 3iqg h ALA 78 Ca 0.28 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3iqg h ALA 78 Cb 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3iqg h ALA 78 CO -0.04 -0.47 0.08 0.10 0.00 0.00 0.00 179.25 178.93 3iqg h TYR 79 N 0.03 0.88 -0.24 0.00 -0.00 -1.08 -1.54 116.97 115.03 3iqg h TYR 79 Ca 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 58.73 58.62 3iqg h TYR 79 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 36.73 36.51 3iqg h TYR 79 CO -0.12 0.77 -0.03 0.28 -0.00 0.00 0.00 178.16 179.06 3iqg h VAL 80 N 0.80 1.27 -0.44 -0.90 2.07 -1.16 0.73 116.25 118.62 3iqg h VAL 80 Ca 0.17 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.76 3iqg h VAL 80 Cb 0.37 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3iqg h VAL 80 CO 0.01 0.31 0.15 0.00 0.02 0.00 0.00 177.57 178.05 3iqg h ALA 81 N 0.78 0.53 -0.23 1.67 0.00 -0.68 -0.48 119.26 120.84 3iqg h ALA 81 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iqg h ALA 81 Cb 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3iqg h ALA 81 CO 0.02 -0.24 0.08 0.00 0.00 0.00 0.00 179.25 179.11 3iqg h ALA 82 N 1.30 0.29 -0.01 0.00 0.00 -1.04 0.56 119.26 120.36 3iqg h ALA 82 Ca 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3iqg h ALA 82 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iqg h ALA 82 CO -0.22 -0.10 -0.14 0.00 0.00 0.00 0.00 179.25 178.79 3iqg h ALA 83 N 0.92 1.75 -0.30 0.00 0.00 -0.32 -2.85 119.26 118.46 3iqg h ALA 83 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iqg h ALA 83 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iqg h ALA 83 CO -0.00 0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.97 3iqg n ARG 84 N -4.37 2.47 -1.27 0.00 1.74 -0.24 -4.82 116.66 110.17 3iqg n ARG 84 Ca -0.02 -1.92 -0.01 0.00 -0.77 0.00 0.00 57.85 55.13 3iqg n ARG 84 Cb 0.21 -1.27 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3iqg n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iqg n GLY 85 N 0.57 0.44 3.85 -0.13 0.00 -0.26 -5.03 105.19 104.64 3iqg n GLY 85 Ca 0.11 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 3iqg n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iqg s TYR 86 N -2.05 3.67 0.49 1.61 2.02 0.03 -4.86 117.35 118.25 3iqg s TYR 86 Ca 0.00 0.84 -0.21 0.00 -0.37 0.00 0.00 57.07 57.33 3iqg s TYR 86 Cb 0.00 -2.18 -0.07 0.00 -0.40 0.00 0.00 41.96 39.31 3iqg s TYR 86 CO 0.00 0.63 1.13 0.15 -1.57 0.00 0.00 175.55 175.89 3iqg s LYS 87 N -1.30 3.65 -0.06 -0.62 1.02 -1.26 -4.35 119.74 116.82 3iqg s LYS 87 Ca 0.25 1.65 -0.04 0.00 0.02 0.00 0.00 55.97 57.84 3iqg s LYS 87 Cb -0.15 -2.24 0.03 0.00 -0.52 0.00 0.00 37.83 34.95 3iqg s LYS 87 CO 0.13 -0.61 0.15 -1.50 -0.92 0.00 0.00 175.35 172.60 3iqg s ILE 88 N -1.69 -0.02 -0.16 2.17 2.07 -1.26 -1.37 121.20 120.94 3iqg s ILE 88 Ca 0.67 0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.96 3iqg s ILE 88 Cb -0.25 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.08 3iqg s ILE 88 CO 0.29 0.04 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.43 3iqg s THR 89 N 0.65 3.79 -0.12 4.00 2.01 -0.13 -0.85 115.64 124.98 3iqg s THR 89 Ca -0.05 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.59 3iqg s THR 89 Cb -0.06 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.78 3iqg s THR 89 CO -0.03 0.48 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.40 3iqg s LEU 90 N 0.54 2.16 0.12 4.42 1.43 -0.79 -2.15 118.68 124.41 3iqg s LEU 90 Ca -0.03 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 3iqg s LEU 90 Cb -0.14 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.56 3iqg s LEU 90 CO 0.03 0.12 0.57 0.42 0.23 0.00 0.00 176.35 177.72 3iqg s THR 91 N 0.58 4.78 -0.08 5.49 -4.23 -0.42 -0.62 115.64 121.14 3iqg s THR 91 Ca -0.13 1.05 -0.26 0.00 -1.18 0.00 0.00 61.69 61.17 3iqg s THR 91 Cb -0.17 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 69.91 3iqg s THR 91 CO 0.04 0.39 0.60 0.00 -0.54 0.00 0.00 174.62 175.11 3iqg s MET 92 N -1.56 0.92 0.40 3.99 0.23 -0.40 -4.23 119.30 118.65 3iqg s MET 92 Ca 0.34 0.31 -0.27 0.00 -1.03 0.00 0.00 55.69 55.04 3iqg s MET 92 Cb -0.17 0.43 -0.10 0.00 -1.53 0.00 0.00 34.83 33.46 3iqg s MET 92 CO 0.19 -0.25 1.44 -2.14 -2.03 0.00 0.00 175.02 172.23 3iqg s PRO 93 N -0.90 3.96 0.30 3.16 0.02 -1.26 0.11 135.00 140.38 3iqg s PRO 93 Ca -0.09 2.46 0.18 0.00 0.02 0.00 0.00 61.00 63.57 3iqg s PRO 93 Cb -0.02 -2.85 0.99 0.00 0.02 0.00 0.00 34.50 32.65 3iqg s PRO 93 CO 0.07 -0.61 1.53 -0.85 -0.33 0.00 0.00 177.00 176.81 3iqg n GLU 94 N 0.22 0.12 -0.01 5.54 0.28 -0.00 -1.87 120.64 124.92 3iqg n GLU 94 Ca 0.03 0.61 0.13 0.00 -0.16 0.00 0.00 57.16 57.77 3iqg n GLU 94 Cb 0.41 -1.95 0.49 0.00 1.43 0.00 0.00 31.44 31.81 3iqg n GLU 94 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3iqg n THR 95 N -2.15 0.03 -1.62 3.84 -2.24 -1.26 -4.89 114.28 105.99 3iqg n THR 95 Ca -0.01 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.15 3iqg n THR 95 Cb 0.09 0.52 0.07 0.00 -2.10 0.00 0.00 70.33 68.92 3iqg n THR 95 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3iqg s MET 96 N -1.97 2.42 0.62 -0.78 -1.94 -0.78 -4.95 119.30 111.93 3iqg s MET 96 Ca 0.37 1.75 -0.18 0.00 -1.71 0.00 0.00 55.69 55.92 3iqg s MET 96 Cb 0.21 -1.87 -0.02 0.00 2.01 0.00 0.00 34.83 35.16 3iqg s MET 96 CO 0.32 -1.61 1.23 -1.54 -0.01 0.00 0.00 175.02 173.41 3iqg s SER 97 N -1.96 4.92 0.29 3.03 1.04 -1.26 -4.86 113.70 114.90 3iqg s SER 97 Ca 0.75 2.44 -0.02 0.00 0.48 0.00 0.00 55.95 59.60 3iqg s SER 97 Cb -0.29 -2.60 0.42 0.00 0.10 0.00 0.00 66.02 63.65 3iqg s SER 97 CO 0.42 -1.78 1.93 0.25 0.98 0.00 0.00 173.24 175.04 3iqg h LEU 98 N 0.65 0.92 -0.72 2.42 5.85 -1.96 -1.64 115.31 120.83 3iqg h LEU 98 Ca -0.50 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.24 3iqg h LEU 98 Cb 1.31 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 3iqg h LEU 98 CO 0.54 0.71 0.40 -0.33 -0.34 0.00 0.00 178.44 179.42 3iqg h GLU 99 N 1.06 0.69 -0.20 1.25 3.07 -1.99 0.21 114.58 118.68 3iqg h GLU 99 Ca 0.28 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.92 3iqg h GLU 99 Cb -0.04 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.72 3iqg h GLU 99 CO -0.05 0.46 -0.55 -0.09 -1.40 0.00 0.00 179.01 177.38 3iqg h ARG 100 N 0.71 0.72 -0.09 2.33 9.65 -1.84 -1.61 114.38 124.25 3iqg h ARG 100 Ca 0.33 -0.51 0.02 0.00 -1.10 0.00 0.00 59.98 58.73 3iqg h ARG 100 Cb 0.25 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 3iqg h ARG 100 CO -0.21 1.13 -0.06 0.87 2.80 0.00 0.00 179.97 184.49 3iqg h LYS 101 N 0.43 -0.07 -0.71 0.20 1.57 -1.01 -1.61 116.57 115.38 3iqg h LYS 101 Ca -0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3iqg h LYS 101 Cb 1.17 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 3iqg h LYS 101 CO 0.12 -0.05 0.46 0.00 -0.57 0.00 0.00 179.45 179.41 3iqg h ARG 102 N -0.07 0.90 -0.26 3.15 3.08 -0.97 0.61 114.38 120.81 3iqg h ARG 102 Ca 0.06 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iqg h ARG 102 Cb 0.16 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3iqg h ARG 102 CO -0.13 0.59 0.15 1.25 -1.07 0.00 0.00 179.97 180.76 3iqg h LEU 103 N 0.92 0.33 -0.73 3.04 5.85 -1.14 0.23 115.31 123.81 3iqg h LEU 103 Ca 0.27 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 3iqg h LEU 103 Cb -0.06 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3iqg h LEU 103 CO -0.08 0.32 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.15 3iqg h LEU 104 N 0.31 0.85 -0.52 2.25 3.38 -1.07 -1.82 115.31 118.69 3iqg h LEU 104 Ca 0.09 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 3iqg h LEU 104 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3iqg h LEU 104 CO -0.02 0.98 -0.30 0.00 0.09 0.00 0.00 178.44 179.19 3iqg h GLY 106 N 0.88 1.15 0.55 0.00 0.00 -0.18 -1.13 103.07 104.34 3iqg h GLY 106 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3iqg h GLY 106 CO 0.08 0.25 0.00 1.04 0.00 0.00 0.00 176.54 177.91 3iqg n LEU 107 N -4.49 0.00 0.00 3.11 4.77 -0.72 -4.90 117.00 114.77 3iqg n LEU 107 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3iqg n LEU 107 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3iqg n LEU 107 CO 0.33 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3iqg n GLY 108 N 0.65 0.49 3.76 -0.72 0.00 -0.43 -4.69 105.19 104.25 3iqg n GLY 108 Ca 0.12 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 3iqg n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iqg s VAL 109 N -2.00 2.77 -0.82 1.61 1.01 -0.91 -4.75 120.40 117.30 3iqg s VAL 109 Ca 0.00 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 62.46 3iqg s VAL 109 Cb 0.00 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.94 3iqg s VAL 109 CO 0.00 0.16 1.37 0.21 0.00 0.00 0.00 175.10 176.84 3iqg s ASN 110 N -0.28 6.20 -0.12 3.32 2.47 -0.03 -4.63 114.94 121.86 3iqg s ASN 110 Ca 0.51 -0.72 -0.29 0.00 0.42 0.00 0.00 52.86 52.78 3iqg s ASN 110 Cb -0.40 -2.56 -0.01 0.00 -1.45 0.00 0.00 41.25 36.83 3iqg s ASN 110 CO 0.50 -1.79 0.97 -0.76 -3.72 0.00 0.00 177.10 172.31 3iqg s LEU 111 N 5.76 4.23 -0.34 3.21 1.43 -1.26 -1.88 118.68 129.83 3iqg s LEU 111 Ca 0.41 1.46 -0.06 0.00 -1.03 0.00 0.00 54.13 54.90 3iqg s LEU 111 Cb -0.06 -3.49 0.05 0.00 0.03 0.00 0.00 46.19 42.72 3iqg s LEU 111 CO 0.07 -0.45 0.10 -0.69 0.23 0.00 0.00 176.35 175.62 3iqg s VAL 112 N 2.09 3.66 -0.05 -1.59 1.01 0.21 -4.96 120.40 120.77 3iqg s VAL 112 Ca 0.46 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 3iqg s VAL 112 Cb -0.18 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3iqg s VAL 112 CO 0.16 -0.22 0.90 -0.76 0.00 0.00 0.00 175.10 175.19 3iqg s LEU 113 N 1.37 4.31 0.50 3.92 1.43 -1.26 -1.28 118.68 127.67 3iqg s LEU 113 Ca -0.01 1.47 0.08 0.00 -1.03 0.00 0.00 54.13 54.64 3iqg s LEU 113 Cb -0.20 -3.42 0.04 0.00 0.03 0.00 0.00 46.19 42.64 3iqg s LEU 113 CO 0.02 -0.28 0.60 0.42 0.23 0.00 0.00 176.35 177.34 3iqg s THR 114 N 1.28 2.41 0.05 5.49 -4.23 0.12 -4.81 115.64 115.94 3iqg s THR 114 Ca 0.46 -1.13 -0.31 0.00 -1.18 0.00 0.00 61.69 59.54 3iqg s THR 114 Cb -0.19 -2.54 -0.07 0.00 1.34 0.00 0.00 72.50 71.04 3iqg s THR 114 CO 0.22 0.00 1.57 -0.70 -0.54 0.00 0.00 174.62 175.17 3iqg s GLU 115 N -4.43 4.22 0.29 3.99 2.12 -1.26 -0.82 118.70 122.81 3iqg s GLU 115 Ca 0.54 2.22 0.04 0.00 0.36 0.00 0.00 54.97 58.12 3iqg s GLU 115 Cb -0.06 -3.57 0.66 0.00 0.26 0.00 0.00 34.13 31.42 3iqg s GLU 115 CO 0.33 -0.68 1.79 0.78 -0.54 0.00 0.00 175.26 176.94 3iqg h GLY 116 N 8.40 1.70 2.00 -1.50 0.00 -1.93 -1.19 103.07 110.56 3iqg h GLY 116 Ca -0.41 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 3iqg h GLY 116 CO 0.92 0.01 -0.01 0.00 0.00 0.00 0.00 176.54 177.46 3iqg h ALA 117 N 1.60 1.66 -0.00 3.60 0.00 -2.03 -2.80 119.26 121.30 3iqg h ALA 117 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3iqg h ALA 117 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3iqg h ALA 117 CO -0.34 0.01 -0.55 1.63 0.00 0.00 0.00 179.25 180.00 3iqg n LYS 118 N -4.06 0.17 0.00 0.00 5.02 -0.45 -5.04 118.16 113.80 3iqg n LYS 118 Ca -0.03 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3iqg n LYS 118 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3iqg n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iqg n GLY 119 N 1.47 2.40 0.23 0.72 0.00 -1.06 -2.18 105.19 106.76 3iqg n GLY 119 Ca 0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 3iqg n GLY 119 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3iqg h MET 120 N 0.00 0.43 -0.67 1.61 2.86 -1.93 -3.11 114.93 114.13 3iqg h MET 120 Ca 0.00 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3iqg h MET 120 Cb 0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3iqg h MET 120 CO 0.00 0.70 0.41 -0.22 1.06 0.00 0.00 176.91 178.87 3iqg h LYS 121 N 0.37 0.79 -0.65 1.72 1.63 -1.94 0.21 116.57 118.70 3iqg h LYS 121 Ca 0.05 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3iqg h LYS 121 Cb 0.74 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 3iqg h LYS 121 CO 0.06 0.52 0.43 0.78 -3.45 0.00 0.00 179.45 177.79 3iqg h GLY 122 N 0.81 0.91 1.08 5.01 0.00 -1.41 -0.89 103.07 108.58 3iqg h GLY 122 Ca 0.27 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 3iqg h GLY 122 CO -0.11 0.33 0.04 0.00 0.00 0.00 0.00 176.54 176.80 3iqg h ALA 123 N 1.24 0.84 -0.58 3.60 0.00 -1.32 -0.68 119.26 122.36 3iqg h ALA 123 Ca 0.24 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3iqg h ALA 123 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3iqg h ALA 123 CO -0.06 0.66 -0.02 0.82 0.00 0.00 0.00 179.25 180.65 3iqg h ILE 124 N 0.99 1.27 -0.31 0.00 2.04 -0.81 -1.78 117.51 118.92 3iqg h ILE 124 Ca 0.18 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 3iqg h ILE 124 Cb 0.52 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3iqg h ILE 124 CO 0.02 0.42 -0.02 0.00 0.00 0.00 0.00 178.15 178.58 3iqg h ALA 125 N 0.97 0.42 -0.62 1.87 0.00 -1.03 -1.32 119.26 119.55 3iqg h ALA 125 Ca 0.16 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3iqg h ALA 125 Cb 0.58 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3iqg h ALA 125 CO 0.03 0.19 0.33 -0.22 0.00 0.00 0.00 179.25 179.58 3iqg h LYS 126 N 0.34 0.60 -0.19 0.00 1.63 -1.02 0.14 116.57 118.08 3iqg h LYS 126 Ca 0.08 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3iqg h LYS 126 Cb 0.47 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3iqg h LYS 126 CO 0.02 0.40 0.10 0.00 -3.45 0.00 0.00 179.45 176.52 3iqg h ALA 127 N 1.33 0.25 -0.53 5.00 0.00 -1.25 -0.50 119.26 123.56 3iqg h ALA 127 Ca 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3iqg h ALA 127 Cb 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3iqg h ALA 127 CO -0.18 -0.21 0.25 0.93 0.00 0.00 0.00 179.25 180.04 3iqg h GLU 128 N 0.21 0.73 0.07 0.00 5.08 -0.83 -2.03 114.58 117.80 3iqg h GLU 128 Ca 0.07 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3iqg h GLU 128 Cb 0.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3iqg h GLU 128 CO -0.01 0.57 -0.03 1.49 -1.00 0.00 0.00 179.01 180.03 3iqg h GLU 129 N 0.74 -0.09 -0.51 2.33 4.81 -0.51 -1.55 114.58 119.80 3iqg h GLU 129 Ca 0.18 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 3iqg h GLU 129 Cb 0.08 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.38 3iqg h GLU 129 CO -0.03 0.23 -0.08 0.82 -0.73 0.00 0.00 179.01 179.22 3iqg h ILE 130 N -0.41 0.53 -0.37 2.32 2.04 -0.89 -1.50 117.51 119.23 3iqg h ILE 130 Ca -0.01 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 3iqg h ILE 130 Cb 0.35 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3iqg h ILE 130 CO 0.02 0.01 0.13 0.58 0.00 0.00 0.00 178.15 178.88 3iqg h VAL 131 N 0.04 1.20 -0.82 1.67 2.07 -1.34 -2.92 116.25 116.16 3iqg h VAL 131 Ca 0.25 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 67.22 3iqg h VAL 131 Cb 0.38 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3iqg h VAL 131 CO -0.49 0.23 0.53 0.00 0.02 0.00 0.00 177.57 177.86 3iqg h ALA 132 N 0.97 1.77 0.00 1.67 0.00 -0.83 -1.27 119.26 121.57 3iqg h ALA 132 Ca 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iqg h ALA 132 Cb 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iqg h ALA 132 CO -0.01 0.05 -0.03 0.66 0.00 0.00 0.00 179.25 179.92 3iqg h SER 133 N 0.73 0.00 -0.57 0.00 4.64 -1.08 -3.35 113.55 113.91 3iqg h SER 133 Ca 0.38 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.50 3iqg h SER 133 Cb 0.50 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.43 3iqg h SER 133 CO -0.15 0.03 -0.51 -0.67 -0.87 0.00 0.00 176.83 174.65 3iqg n ASP 134 N -4.39 -3.07 -0.06 4.97 -0.08 -1.01 -5.04 116.55 107.86 3iqg n ASP 134 Ca -0.03 -3.09 0.25 0.00 -1.51 0.00 0.00 54.79 50.41 3iqg n ASP 134 Cb 0.12 1.70 0.71 0.00 2.34 0.00 0.00 41.12 45.99 3iqg n ASP 134 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3iqg h PRO 135 N 4.52 0.00 0.00 -0.67 0.11 -1.39 0.18 132.00 134.75 3iqg h PRO 135 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3iqg h PRO 135 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3iqg h PRO 135 CO 0.18 0.00 -0.12 -1.13 -0.21 0.00 0.00 178.00 176.72 3iqg n SER 136 N -3.93 0.73 -0.03 -2.05 3.41 -1.26 -3.64 113.62 106.85 3iqg n SER 136 Ca 0.14 0.48 -0.10 0.00 -0.26 0.00 0.00 58.87 59.12 3iqg n SER 136 Cb 0.86 -0.59 -0.14 0.00 -0.26 0.00 0.00 64.21 64.08 3iqg n SER 136 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3iqg n ARG 137 N -2.17 0.65 -4.77 4.33 0.63 0.04 -4.93 116.66 110.44 3iqg n ARG 137 Ca 0.05 0.25 -0.30 0.00 -0.92 0.00 0.00 57.85 56.93 3iqg n ARG 137 Cb 0.42 -1.74 -0.14 0.00 0.45 0.00 0.00 32.46 31.45 3iqg n ARG 137 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3iqg s TYR 138 N -2.58 2.34 -0.05 -0.14 2.02 -1.12 -0.42 117.35 117.40 3iqg s TYR 138 Ca -0.08 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 3iqg s TYR 138 Cb 0.08 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.29 3iqg s TYR 138 CO 0.81 0.18 -0.07 0.08 -1.57 0.00 0.00 175.55 174.99 3iqg s VAL 139 N -0.87 0.74 -0.16 0.71 1.01 -0.25 -4.81 120.40 116.76 3iqg s VAL 139 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 3iqg s VAL 139 Cb -0.10 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 3iqg s VAL 139 CO 0.03 0.27 -0.11 -0.32 0.00 0.00 0.00 175.10 174.96 3iqg s MET 140 N 0.79 3.33 0.16 2.72 1.75 -1.26 -0.39 119.30 126.40 3iqg s MET 140 Ca -0.13 -0.69 0.23 0.00 -1.25 0.00 0.00 55.69 53.86 3iqg s MET 140 Cb -0.15 -2.74 0.03 0.00 2.84 0.00 0.00 34.83 34.82 3iqg s MET 140 CO 0.01 0.04 1.04 1.28 -0.65 0.00 0.00 175.02 176.75 3iqg n LEU 141 N 4.04 0.74 -3.17 4.11 4.77 -1.26 -5.01 117.00 121.22 3iqg n LEU 141 Ca -0.18 0.25 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 3iqg n LEU 141 Cb 0.52 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3iqg n LEU 141 CO 0.30 -0.13 0.24 0.29 -1.33 0.00 0.00 177.39 176.75 3iqg n LYS 142 N -2.48 -1.48 -0.13 3.23 5.02 -1.26 -4.49 118.16 116.56 3iqg n LYS 142 Ca 0.00 1.30 0.26 0.00 -2.02 0.00 0.00 58.31 57.86 3iqg n LYS 142 Cb 0.52 -5.46 0.72 0.00 -0.02 0.00 0.00 35.03 30.79 3iqg n LYS 142 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 3iqg h GLN 143 N 0.07 0.00 0.00 1.97 3.07 -1.95 -0.47 115.11 117.80 3iqg h GLN 143 Ca -0.17 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.52 3iqg h GLN 143 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.65 3iqg h GLN 143 CO 0.33 0.00 -0.24 0.74 0.09 0.00 0.00 178.83 179.75 3iqg h PHE 144 N 0.00 0.00 0.00 0.06 0.04 -1.91 -3.36 116.94 111.77 3iqg h PHE 144 Ca 0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.15 3iqg h PHE 144 Cb 1.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.67 3iqg h PHE 144 CO 0.00 0.24 -0.28 -0.85 -0.60 0.00 0.00 178.31 176.82 3iqg n GLU 145 N -3.34 4.71 -2.19 1.51 0.28 -0.72 -1.64 120.64 119.26 3iqg n GLU 145 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.58 3iqg n GLU 145 Cb 0.47 -0.62 -0.02 0.00 1.43 0.00 0.00 31.44 32.70 3iqg n GLU 145 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3iqg s ASN 146 N -1.23 6.58 0.49 -1.84 3.84 -0.27 -4.80 114.94 117.71 3iqg s ASN 146 Ca 0.00 1.70 0.33 0.00 0.21 0.00 0.00 52.86 55.10 3iqg s ASN 146 Cb 0.00 -2.53 1.68 0.00 -0.55 0.00 0.00 41.25 39.84 3iqg s ASN 146 CO 0.00 -1.08 2.00 1.55 -2.79 0.00 0.00 177.10 176.79 3iqg h PRO 147 N 9.85 0.00 0.00 0.43 0.13 -1.93 -1.83 132.00 138.64 3iqg h PRO 147 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3iqg h PRO 147 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3iqg h PRO 147 CO 0.99 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.76 3iqg h ALA 148 N 2.04 1.00 0.08 -0.56 0.00 -1.92 -1.66 119.26 118.24 3iqg h ALA 148 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iqg h ALA 148 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iqg h ALA 148 CO 0.00 0.00 -0.04 -0.97 0.00 0.00 0.00 179.25 178.24 3iqg h ASN 149 N 0.00 -0.09 0.08 0.00 -0.73 -1.66 -2.82 115.58 110.35 3iqg h ASN 149 Ca 0.00 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 3iqg h ASN 149 Cb 0.20 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 38.81 3iqg h ASN 149 CO 0.00 -0.05 -0.07 1.55 -0.37 0.00 0.00 177.43 178.49 3iqg h PRO 150 N -0.15 0.00 -0.59 6.67 0.13 -1.73 -2.90 132.00 133.43 3iqg h PRO 150 Ca -0.01 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.16 3iqg h PRO 150 Cb 0.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.17 3iqg h PRO 150 CO 0.02 0.07 0.34 0.37 -0.23 0.00 0.00 178.00 178.57 3iqg h GLN 151 N 0.00 0.64 -0.42 0.86 5.75 -1.36 -0.32 115.11 120.25 3iqg h GLN 151 Ca -0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3iqg h GLN 151 Cb 0.13 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3iqg h GLN 151 CO 0.01 0.42 0.19 0.97 -2.65 0.00 0.00 178.83 177.77 3iqg h ILE 152 N 0.66 1.15 -0.16 2.39 6.09 -1.28 0.09 117.51 126.45 3iqg h ILE 152 Ca 0.25 -0.45 -0.15 0.00 -1.37 0.00 0.00 64.86 63.14 3iqg h ILE 152 Cb 0.08 0.63 -0.01 0.00 0.47 0.00 0.00 36.82 37.99 3iqg h ILE 152 CO -0.13 0.18 -0.55 0.45 -3.07 0.00 0.00 178.15 175.03 3iqg h HIS 153 N 0.59 0.58 -0.47 2.19 3.86 -1.31 -0.46 115.15 120.13 3iqg h HIS 153 Ca 0.15 -0.21 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 3iqg h HIS 153 Cb 0.09 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3iqg h HIS 153 CO 0.00 0.91 0.06 -0.09 0.86 0.00 0.00 177.93 179.67 3iqg h ARG 154 N 0.36 0.74 0.00 2.45 2.43 -0.50 0.21 114.38 120.06 3iqg h ARG 154 Ca 0.01 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 3iqg h ARG 154 Cb 1.08 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3iqg h ARG 154 CO 0.10 0.71 -0.90 0.93 -1.51 0.00 0.00 179.97 179.30 3iqg h GLU 155 N 0.70 0.00 0.00 0.20 5.08 -0.74 -3.39 114.58 116.43 3iqg h GLU 155 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3iqg h GLU 155 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3iqg h GLU 155 CO 0.01 0.38 0.00 0.25 -1.00 0.00 0.00 179.01 178.65 3iqg n THR 156 N -3.06 0.39 0.01 1.13 -2.24 -0.20 -4.67 114.28 105.64 3iqg n THR 156 Ca -0.03 0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.78 3iqg n THR 156 Cb 0.77 -0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 3iqg n THR 156 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3iqg h THR 157 N 0.00 0.82 0.59 4.28 2.02 -1.59 0.12 112.91 119.14 3iqg h THR 157 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3iqg h THR 157 Cb 0.00 0.82 0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3iqg h THR 157 CO 0.00 0.00 -0.28 1.23 0.37 0.00 0.00 175.52 176.84 3iqg h GLY 158 N -0.06 -0.83 0.88 2.16 0.00 -0.83 -2.27 103.07 102.12 3iqg h GLY 158 Ca 0.06 0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.77 3iqg h GLY 158 CO -0.13 -0.30 0.53 -2.55 0.00 0.00 0.00 176.54 174.09 3iqg h PRO 159 N -0.80 0.81 -0.62 4.80 0.11 -1.71 -0.85 132.00 133.75 3iqg h PRO 159 Ca -0.08 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.03 3iqg h PRO 159 Cb 0.61 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.49 3iqg h PRO 159 CO 0.13 0.54 0.34 0.93 -0.21 0.00 0.00 178.00 179.73 3iqg h GLU 160 N 0.83 0.63 -0.52 1.05 5.08 -0.63 0.48 114.58 121.50 3iqg h GLU 160 Ca 0.36 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3iqg h GLU 160 Cb 0.33 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3iqg h GLU 160 CO -0.14 0.42 0.32 0.82 -1.00 0.00 0.00 179.01 179.43 3iqg h ILE 161 N 0.65 1.16 0.07 3.13 2.04 -0.79 -0.96 117.51 122.80 3iqg h ILE 161 Ca 0.27 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3iqg h ILE 161 Cb 0.14 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3iqg h ILE 161 CO -0.16 0.16 -0.08 -0.25 0.00 0.00 0.00 178.15 177.82 3iqg h TRP 162 N 0.70 -0.21 -0.23 1.37 2.91 -0.81 -2.35 115.95 117.34 3iqg h TRP 162 Ca 0.19 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.16 3iqg h TRP 162 Cb -0.02 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 3iqg h TRP 162 CO -0.03 -0.13 -0.06 0.87 -1.03 0.00 0.00 178.44 178.07 3iqg h LYS 163 N -0.18 0.45 0.00 2.65 1.57 -0.85 0.67 116.57 120.88 3iqg h LYS 163 Ca 0.01 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3iqg h LYS 163 Cb 0.18 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3iqg h LYS 163 CO -0.04 0.68 0.00 -0.44 -0.57 0.00 0.00 179.45 179.09 3iqg h ASP 164 N 0.18 0.00 -0.21 0.86 3.32 -1.18 -2.14 116.42 117.25 3iqg h ASP 164 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3iqg h ASP 164 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3iqg h ASP 164 CO 0.02 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.89 3iqg n THR 165 N -3.06 0.25 -3.66 0.35 -2.24 -0.89 -4.97 114.28 100.07 3iqg n THR 165 Ca 0.01 -0.62 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 3iqg n THR 165 Cb 0.34 1.22 0.04 0.00 -2.10 0.00 0.00 70.33 69.83 3iqg n THR 165 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3iqg n ASP 166 N 1.41 -5.38 -0.17 3.42 8.00 -0.81 -1.03 116.55 121.99 3iqg n ASP 166 Ca 0.17 -0.61 -0.02 0.00 0.71 0.00 0.00 54.79 55.04 3iqg n ASP 166 Cb 0.60 -4.29 -0.01 0.00 -0.02 0.00 0.00 41.12 37.40 3iqg n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iqg n GLY 167 N -1.72 0.35 0.06 0.44 0.00 0.18 -4.89 105.19 99.60 3iqg n GLY 167 Ca 0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3iqg n GLY 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iqg n LYS 168 N -0.49 0.18 -1.61 1.61 5.02 -0.20 -4.88 118.16 117.79 3iqg n LYS 168 Ca -0.02 0.10 -0.54 0.00 -2.02 0.00 0.00 58.31 55.83 3iqg n LYS 168 Cb 0.38 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 3iqg n LYS 168 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3iqg n VAL 169 N -1.95 0.07 -0.03 -0.18 3.14 -1.26 -4.44 118.33 113.67 3iqg n VAL 169 Ca 0.05 -0.01 -0.02 0.00 -2.96 0.00 0.00 64.34 61.40 3iqg n VAL 169 Cb 0.40 -0.85 -0.07 0.00 -1.06 0.00 0.00 33.84 32.26 3iqg n VAL 169 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3iqg n ASP 170 N 3.11 2.81 -3.80 6.55 8.00 -0.25 -4.89 116.55 128.08 3iqg n ASP 170 Ca 0.20 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.57 3iqg n ASP 170 Cb 0.17 0.93 -0.14 0.00 -0.02 0.00 0.00 41.12 42.06 3iqg n ASP 170 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iqg s VAL 171 N -2.35 -0.02 -0.12 2.53 1.01 -0.87 -1.07 120.40 119.50 3iqg s VAL 171 Ca -0.04 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3iqg s VAL 171 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 3iqg s VAL 171 CO 0.37 0.04 -0.18 -0.69 0.00 0.00 0.00 175.10 174.64 3iqg s VAL 172 N 0.59 2.57 -0.15 2.92 1.01 -0.33 -0.94 120.40 126.06 3iqg s VAL 172 Ca -0.04 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3iqg s VAL 172 Cb -0.06 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3iqg s VAL 172 CO -0.03 0.54 -0.19 -0.69 0.00 0.00 0.00 175.10 174.73 3iqg s VAL 173 N 0.37 2.29 -0.14 2.92 1.01 0.02 -0.53 120.40 126.34 3iqg s VAL 173 Ca -0.14 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 3iqg s VAL 173 Cb -0.17 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 34.33 3iqg s VAL 173 CO 0.07 0.53 0.33 0.00 0.00 0.00 0.00 175.10 176.04 3iqg s ALA 174 N 0.86 -0.82 0.53 5.51 0.00 -0.68 -1.44 121.76 125.72 3iqg s ALA 174 Ca -0.05 1.27 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 3iqg s ALA 174 Cb -0.15 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 3iqg s ALA 174 CO -0.02 -0.31 1.32 0.20 0.00 0.00 0.00 175.76 176.95 3iqg s GLY 175 N 1.54 2.87 -0.27 0.00 0.00 -1.26 -1.32 107.32 108.88 3iqg s GLY 175 Ca -0.08 1.27 -0.07 0.00 0.00 0.00 0.00 44.72 45.84 3iqg s GLY 175 CO -0.11 1.77 0.07 0.14 0.00 0.00 0.00 173.10 174.98 3iqg s VAL 176 N -1.34 4.10 0.00 1.40 1.01 -0.76 -4.78 120.40 120.02 3iqg s VAL 176 Ca 0.70 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3iqg s VAL 176 Cb -0.38 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3iqg s VAL 176 CO 0.46 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.40 3iqg n GLY 177 N 4.89 -0.05 0.21 4.51 0.00 -1.25 -2.53 105.19 110.98 3iqg n GLY 177 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3iqg n GLY 177 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3iqg h THR 178 N 0.00 0.00 0.00 2.61 1.35 -1.92 -3.43 112.91 111.52 3iqg h THR 178 Ca 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3iqg h THR 178 Cb 0.00 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3iqg h THR 178 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3iqg n GLY 179 N 0.95 2.49 0.28 5.82 0.00 -1.26 -3.29 105.19 110.18 3iqg n GLY 179 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 3iqg n GLY 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iqg h GLY 180 N 0.00 1.10 0.90 -0.02 0.00 -1.91 -1.59 103.07 101.55 3iqg h GLY 180 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3iqg h GLY 180 CO 0.00 0.08 -0.36 1.76 0.00 0.00 0.00 176.54 178.02 3iqg h SER 181 N 0.65 -0.85 -0.79 0.19 0.02 -1.89 -0.91 113.55 109.97 3iqg h SER 181 Ca 0.36 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 3iqg h SER 181 Cb 0.35 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 3iqg h SER 181 CO -0.26 -0.54 0.45 -0.29 -1.14 0.00 0.00 176.83 175.04 3iqg h ILE 182 N -1.12 1.23 0.42 3.27 2.10 -1.86 -0.91 117.51 120.64 3iqg h ILE 182 Ca -0.10 -0.56 -0.02 0.00 1.08 0.00 0.00 64.86 65.26 3iqg h ILE 182 Cb 0.79 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.67 3iqg h ILE 182 CO 0.17 0.25 -0.20 0.74 -1.08 0.00 0.00 178.15 178.03 3iqg h THR 183 N 1.11 0.58 -0.24 2.19 2.02 -1.25 -0.91 112.91 116.41 3iqg h THR 183 Ca 0.28 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 3iqg h THR 183 Cb 0.01 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3iqg h THR 183 CO -0.05 0.04 -0.01 1.23 0.37 0.00 0.00 175.52 177.11 3iqg h GLY 184 N -0.69 0.47 0.99 2.16 0.00 -1.06 -0.65 103.07 104.29 3iqg h GLY 184 Ca -0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3iqg h GLY 184 CO 0.09 0.32 0.28 -2.22 0.00 0.00 0.00 176.54 175.01 3iqg h ILE 185 N 0.20 1.15 -0.45 2.60 2.04 -1.22 -0.81 117.51 121.01 3iqg h ILE 185 Ca 0.07 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 3iqg h ILE 185 Cb 0.43 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3iqg h ILE 185 CO 0.01 0.15 -0.11 0.28 0.00 0.00 0.00 178.15 178.48 3iqg h SER 186 N 0.61 0.89 -0.68 1.72 0.02 -1.03 -1.54 113.55 113.54 3iqg h SER 186 Ca 0.17 -0.36 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 3iqg h SER 186 Cb -0.00 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3iqg h SER 186 CO -0.03 1.04 0.22 0.03 -1.14 0.00 0.00 176.83 176.95 3iqg h ARG 187 N 0.72 1.05 0.26 3.45 3.08 -0.96 0.01 114.38 121.98 3iqg h ARG 187 Ca 0.11 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3iqg h ARG 187 Cb 0.66 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3iqg h ARG 187 CO 0.05 0.91 -0.37 0.00 -1.07 0.00 0.00 179.97 179.49 3iqg h ALA 188 N 1.09 -0.73 -0.12 0.04 0.00 -0.93 0.51 119.26 119.13 3iqg h ALA 188 Ca 0.22 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 3iqg h ALA 188 Cb 0.29 0.57 0.01 0.00 0.00 0.00 0.00 17.79 18.66 3iqg h ALA 188 CO -0.01 -0.96 -0.62 0.82 0.00 0.00 0.00 179.25 178.49 3iqg h ILE 189 N -0.69 1.33 0.10 0.00 2.04 -1.15 -0.44 117.51 118.70 3iqg h ILE 189 Ca -0.00 -1.89 -0.27 0.00 1.00 0.00 0.00 64.86 63.70 3iqg h ILE 189 Cb 0.66 2.12 0.01 0.00 -0.74 0.00 0.00 36.82 38.87 3iqg h ILE 189 CO -0.13 0.58 -1.17 0.11 0.00 0.00 0.00 178.15 177.55 3iqg h LYS 190 N 0.29 0.41 0.00 2.37 1.57 -1.06 -0.50 116.57 119.65 3iqg h LYS 190 Ca -0.04 -0.58 -0.39 0.00 -1.87 0.00 0.00 60.65 57.77 3iqg h LYS 190 Cb 1.26 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.70 3iqg h LYS 190 CO 0.13 1.24 -2.30 1.28 -0.57 0.00 0.00 179.45 179.23 3iqg n LEU 191 N -3.67 1.85 0.02 2.94 4.77 0.15 -3.10 117.00 119.96 3iqg n LEU 191 Ca -0.10 0.32 -0.18 0.00 -0.03 0.00 0.00 56.01 56.03 3iqg n LEU 191 Cb 0.96 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 3iqg n LEU 191 CO 0.55 0.45 0.18 0.44 -1.33 0.00 0.00 177.39 177.67 3iqg h ASP 192 N -0.94 0.84 -0.00 -1.43 3.32 -0.95 -3.30 116.42 113.97 3iqg h ASP 192 Ca -0.59 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 55.83 3iqg h ASP 192 Cb 1.51 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3iqg h ASP 192 CO -0.36 1.42 -0.92 0.49 -1.72 0.00 0.00 179.24 178.16 3iqg n PHE 193 N -3.87 0.00 -1.18 4.55 3.72 -0.30 -5.00 117.46 115.38 3iqg n PHE 193 Ca -0.09 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.25 3iqg n PHE 193 Cb 0.82 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.33 3iqg n PHE 193 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iqg n GLY 194 N 1.47 0.86 3.60 1.37 0.00 -0.74 -4.95 105.19 106.80 3iqg n GLY 194 Ca 0.04 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 3iqg n GLY 194 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iqg s LYS 195 N -2.48 3.93 -1.49 1.61 2.20 -0.27 -4.96 119.74 118.27 3iqg s LYS 195 Ca 0.00 -0.36 -0.13 0.00 -0.36 0.00 0.00 55.97 55.12 3iqg s LYS 195 Cb 0.00 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 3iqg s LYS 195 CO 0.00 0.17 2.35 0.94 -0.36 0.00 0.00 175.35 178.45 3iqg n GLN 196 N 3.86 3.00 -1.58 4.03 -0.06 -1.26 -3.71 117.38 121.65 3iqg n GLN 196 Ca -0.16 -2.55 -0.29 0.00 -2.00 0.00 0.00 57.00 52.00 3iqg n GLN 196 Cb 0.52 -3.20 0.14 0.00 -4.06 0.00 0.00 30.24 23.64 3iqg n GLN 196 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3iqg s ILE 197 N 2.99 1.98 -0.29 1.69 -4.36 -1.26 -5.04 121.20 116.90 3iqg s ILE 197 Ca 0.51 0.00 -0.13 0.00 -0.26 0.00 0.00 60.65 60.77 3iqg s ILE 197 Cb 0.15 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.04 3iqg s ILE 197 CO -0.08 0.00 0.28 -0.89 0.24 0.00 0.00 174.94 174.49 3iqg s THR 198 N -3.35 5.24 -0.27 8.37 2.01 -0.24 -4.99 115.64 122.43 3iqg s THR 198 Ca 0.65 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.75 3iqg s THR 198 Cb -0.13 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 3iqg s THR 198 CO 0.53 0.13 0.24 -0.44 -0.69 0.00 0.00 174.62 174.39 3iqg s SER 199 N 1.72 6.11 -0.28 3.53 0.01 -1.26 -1.18 113.70 122.34 3iqg s SER 199 Ca 0.10 0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.46 3iqg s SER 199 Cb -0.16 -2.14 0.05 0.00 0.21 0.00 0.00 66.02 63.97 3iqg s SER 199 CO 0.11 -0.06 -0.04 -0.69 0.41 0.00 0.00 173.24 172.97 3iqg s VAL 200 N 1.68 2.75 0.25 3.43 1.01 0.31 -1.00 120.40 128.82 3iqg s VAL 200 Ca 0.10 -1.41 -0.29 0.00 0.00 0.00 0.00 61.98 60.38 3iqg s VAL 200 Cb -0.15 -2.57 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 3iqg s VAL 200 CO 0.09 -0.05 0.93 0.00 0.00 0.00 0.00 175.10 176.07 3iqg s ALA 201 N 1.22 3.33 -0.08 5.51 0.00 -0.32 -1.69 121.76 129.74 3iqg s ALA 201 Ca -0.06 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.53 3iqg s ALA 201 Cb -0.19 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3iqg s ALA 201 CO -0.03 0.21 -0.19 0.08 0.00 0.00 0.00 175.76 175.83 3iqg s VAL 202 N -1.24 2.54 0.11 0.00 1.01 -0.43 -0.90 120.40 121.48 3iqg s VAL 202 Ca 0.42 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 3iqg s VAL 202 Cb -0.25 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3iqg s VAL 202 CO 0.30 0.56 0.06 -1.83 0.00 0.00 0.00 175.10 174.19 3iqg s GLU 203 N -0.11 0.84 0.25 2.72 -1.05 -0.79 -1.83 118.70 118.73 3iqg s GLU 203 Ca -0.04 -1.32 -0.30 0.00 -0.15 0.00 0.00 54.97 53.17 3iqg s GLU 203 Cb -0.14 0.25 -0.09 0.00 -0.44 0.00 0.00 34.13 33.71 3iqg s GLU 203 CO 0.04 -0.23 1.18 -2.14 0.95 0.00 0.00 175.26 175.06 3iqg s PRO 204 N -3.99 4.53 0.55 -4.83 0.02 -1.26 -1.43 135.00 128.58 3iqg s PRO 204 Ca 0.17 1.91 0.23 0.00 0.02 0.00 0.00 61.00 63.33 3iqg s PRO 204 Cb 0.07 -3.19 1.48 0.00 0.02 0.00 0.00 34.50 32.88 3iqg s PRO 204 CO -0.03 0.01 2.12 -0.24 -0.33 0.00 0.00 177.00 178.54 3iqg h VAL 205 N 3.38 0.74 0.00 3.83 3.04 -1.45 -1.39 116.25 124.40 3iqg h VAL 205 Ca -0.46 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.20 3iqg h VAL 205 Cb 1.21 0.91 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3iqg h VAL 205 CO 0.70 0.00 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.80 3iqg h GLU 206 N 0.00 0.00 -1.74 4.17 3.07 -1.89 -3.35 114.58 114.84 3iqg h GLU 206 Ca 0.07 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.45 3iqg h GLU 206 Cb 0.32 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 27.87 3iqg h GLU 206 CO -0.00 0.13 -1.07 0.45 -1.40 0.00 0.00 179.01 177.13 3iqg n SER 207 N -3.32 0.09 -3.52 1.42 2.88 -0.55 -2.85 113.62 107.78 3iqg n SER 207 Ca -0.00 -2.93 -0.40 0.00 -1.33 0.00 0.00 58.87 54.21 3iqg n SER 207 Cb 0.36 -0.31 -0.00 0.00 -0.75 0.00 0.00 64.21 63.51 3iqg n SER 207 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3iqg n PRO 208 N 0.88 4.61 0.15 -1.46 -0.04 -1.05 -4.44 135.00 133.64 3iqg n PRO 208 Ca 0.21 -3.58 -0.01 0.00 -0.04 0.00 0.00 63.50 60.09 3iqg n PRO 208 Cb 0.60 -2.64 0.22 0.00 -0.04 0.00 0.00 33.50 31.65 3iqg n PRO 208 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3iqg h VAL 209 N 2.65 1.39 -0.18 0.52 -1.51 -1.88 -1.03 116.25 116.21 3iqg h VAL 209 Ca 0.67 -1.88 -0.03 0.00 -1.23 0.00 0.00 66.70 64.23 3iqg h VAL 209 Cb 0.33 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 3iqg h VAL 209 CO 1.46 0.54 -0.00 0.40 -1.23 0.00 0.00 177.57 178.74 3iqg h ILE 210 N 0.01 1.26 -0.23 7.19 2.04 -1.92 -0.21 117.51 125.66 3iqg h ILE 210 Ca -0.00 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.04 3iqg h ILE 210 Cb 0.97 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 3iqg h ILE 210 CO 0.07 0.26 -0.06 0.28 0.00 0.00 0.00 178.15 178.70 3iqg h SER 211 N 0.06 -0.22 -0.16 1.72 0.02 -1.88 -1.24 113.55 111.84 3iqg h SER 211 Ca 0.05 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3iqg h SER 211 Cb 0.39 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3iqg h SER 211 CO 0.01 -0.08 0.09 1.56 -1.14 0.00 0.00 176.83 177.27 3iqg h GLN 212 N -0.00 0.23 -0.20 3.45 4.20 -1.16 -2.09 115.11 119.53 3iqg h GLN 212 Ca 0.11 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.85 3iqg h GLN 212 Cb 0.17 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 3iqg h GLN 212 CO -0.24 0.22 -0.16 1.15 -0.67 0.00 0.00 178.83 179.14 3iqg h THR 213 N 0.17 0.55 0.00 -0.54 2.02 -0.90 0.78 112.91 114.99 3iqg h THR 213 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3iqg h THR 213 Cb 0.06 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3iqg h THR 213 CO -0.01 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.78 3iqg h LEU 214 N -0.17 0.00 -0.54 2.58 3.38 -1.13 -1.00 115.31 118.43 3iqg h LEU 214 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iqg h LEU 214 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3iqg h LEU 214 CO -0.30 0.03 -0.16 0.00 0.09 0.00 0.00 178.44 178.10 3iqg n ALA 215 N -2.11 2.88 -1.88 1.53 0.00 -0.79 -4.94 120.51 115.20 3iqg n ALA 215 Ca 0.01 -0.38 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 3iqg n ALA 215 Cb 0.34 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 3iqg n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iqg n GLY 216 N 1.28 0.73 3.93 0.00 0.00 -0.38 -5.02 105.19 105.73 3iqg n GLY 216 Ca 0.15 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 3iqg n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iqg s GLU 217 N -4.10 3.19 0.06 1.61 2.02 0.21 -5.01 118.70 116.67 3iqg s GLU 217 Ca 0.00 -0.18 -0.36 0.00 0.02 0.00 0.00 54.97 54.45 3iqg s GLU 217 Cb 0.00 -2.45 -0.15 0.00 0.10 0.00 0.00 34.13 31.63 3iqg s GLU 217 CO 0.00 -0.32 1.55 -1.91 0.02 0.00 0.00 175.26 174.61 3iqg n GLU 218 N -2.22 1.70 -2.74 1.61 2.13 -1.26 -4.39 120.64 115.47 3iqg n GLU 218 Ca 0.01 0.62 -0.43 0.00 0.66 0.00 0.00 57.16 58.02 3iqg n GLU 218 Cb 0.57 -2.34 -0.03 0.00 0.27 0.00 0.00 31.44 29.90 3iqg n GLU 218 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3iqg s VAL 219 N 1.45 4.54 -0.45 6.31 1.01 -1.26 -4.88 120.40 127.12 3iqg s VAL 219 Ca 0.85 1.39 0.02 0.00 0.00 0.00 0.00 61.98 64.24 3iqg s VAL 219 Cb -0.82 -4.37 0.14 0.00 0.00 0.00 0.00 36.38 31.33 3iqg s VAL 219 CO 0.46 -0.53 0.24 -0.54 0.00 0.00 0.00 175.10 174.73 3iqg s LYS 220 N 3.58 1.39 0.78 2.72 1.02 -1.26 -5.12 119.74 122.85 3iqg s LYS 220 Ca 0.41 -2.11 -0.11 0.00 0.02 0.00 0.00 55.97 54.18 3iqg s LYS 220 Cb -0.12 -2.48 0.06 0.00 -0.52 0.00 0.00 37.83 34.78 3iqg s LYS 220 CO 0.18 -1.16 1.11 -1.25 -0.92 0.00 0.00 175.35 173.31 3iqg s PRO 221 N 0.24 2.12 0.10 -1.68 0.04 -1.26 -4.54 135.00 130.03 3iqg s PRO 221 Ca 0.18 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.36 3iqg s PRO 221 Cb -0.24 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.44 3iqg s PRO 221 CO -0.00 -1.76 0.30 0.20 0.04 0.00 0.00 177.00 175.78 3iqg s GLY 222 N -3.15 -0.11 0.47 0.56 0.00 -1.13 -4.95 107.32 99.01 3iqg s GLY 222 Ca 0.63 -0.29 -0.23 0.00 0.00 0.00 0.00 44.72 44.83 3iqg s GLY 222 CO 0.54 -0.51 1.22 2.56 0.00 0.00 0.00 173.10 176.91 3iqg s PRO 223 N -3.75 3.67 0.31 2.90 0.04 -1.26 -4.34 135.00 132.56 3iqg s PRO 223 Ca 0.03 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 3iqg s PRO 223 Cb 0.03 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 32.17 3iqg s PRO 223 CO -0.11 -0.66 0.68 -3.38 0.04 0.00 0.00 177.00 173.56 3iqg s HIS 224 N -1.46 0.08 -0.88 0.56 -3.43 -1.26 -4.82 115.29 104.08 3iqg s HIS 224 Ca 0.64 -0.56 0.10 0.00 -0.80 0.00 0.00 55.06 54.44 3iqg s HIS 224 Cb -0.32 0.59 0.30 0.00 -1.43 0.00 0.00 32.58 31.72 3iqg s HIS 224 CO 0.39 -1.27 1.25 1.63 -2.00 0.00 0.00 174.74 174.73 3iqg n LYS 225 N -0.47 2.88 -2.89 -0.38 5.02 -1.26 -4.87 118.16 116.19 3iqg n LYS 225 Ca -0.04 -2.05 -0.44 0.00 -2.02 0.00 0.00 58.31 53.76 3iqg n LYS 225 Cb 0.60 -1.27 -0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3iqg n LYS 225 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iqg s ILE 226 N -1.04 4.86 0.22 -0.18 1.01 -1.26 -4.95 121.20 119.85 3iqg s ILE 226 Ca 0.23 -2.40 -0.32 0.00 0.00 0.00 0.00 60.65 58.15 3iqg s ILE 226 Cb 0.12 -4.94 -0.13 0.00 0.01 0.00 0.00 42.46 37.53 3iqg s ILE 226 CO 0.15 -1.67 1.63 0.00 0.00 0.00 0.00 174.94 175.05 3iqg n GLN 227 N 6.15 2.51 0.00 2.79 6.02 -1.26 -2.54 117.38 131.06 3iqg n GLN 227 Ca 0.37 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 58.26 3iqg n GLN 227 Cb 0.44 -2.70 0.00 0.00 1.02 0.00 0.00 30.24 29.00 3iqg n GLN 227 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iqg n GLY 228 N 3.28 2.58 3.73 1.08 0.00 -1.26 -4.28 105.19 110.32 3iqg n GLY 228 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3iqg n GLY 228 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iqg s ILE 229 N -2.65 1.13 -0.89 -0.61 -4.36 -1.05 -3.93 121.20 108.83 3iqg s ILE 229 Ca 0.00 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.37 3iqg s ILE 229 Cb 0.00 -2.21 -0.03 0.00 1.25 0.00 0.00 42.46 41.47 3iqg s ILE 229 CO 0.00 0.00 0.76 0.61 0.24 0.00 0.00 174.94 176.55 3iqg n GLY 230 N -1.22 -0.48 0.25 6.27 0.00 -1.05 -4.89 105.19 104.08 3iqg n GLY 230 Ca -0.17 0.20 0.17 0.00 0.00 0.00 0.00 46.02 46.22 3iqg n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqg h ALA 231 N 0.32 1.00 0.00 4.61 0.00 -1.82 -3.47 119.26 119.90 3iqg h ALA 231 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3iqg h ALA 231 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3iqg h ALA 231 CO 0.37 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.03 3iqg n GLY 232 N -0.46 0.69 3.45 0.00 0.00 -1.26 -5.04 105.19 102.57 3iqg n GLY 232 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3iqg n GLY 232 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3iqg s PHE 233 N -2.07 0.25 -0.41 1.61 -0.12 -1.26 -4.65 117.98 111.33 3iqg s PHE 233 Ca 0.00 -0.61 -0.26 0.00 -0.05 0.00 0.00 56.93 56.02 3iqg s PHE 233 Cb 0.00 0.12 0.02 0.00 -0.63 0.00 0.00 43.02 42.53 3iqg s PHE 233 CO 0.00 -0.84 0.92 0.42 -0.05 0.00 0.00 175.22 175.67 3iqg s ILE 234 N -3.95 4.53 0.50 -4.49 -1.09 -1.26 -4.93 121.20 110.50 3iqg s ILE 234 Ca 0.16 0.97 -0.18 0.00 -2.23 0.00 0.00 60.65 59.37 3iqg s ILE 234 Cb 0.01 -4.38 -0.08 0.00 -1.58 0.00 0.00 42.46 36.43 3iqg s ILE 234 CO 0.01 -0.68 1.00 -2.16 -1.23 0.00 0.00 174.94 171.89 3iqg s PRO 235 N 3.62 3.85 0.46 2.79 0.04 -1.26 -4.93 135.00 139.56 3iqg s PRO 235 Ca 0.38 1.14 0.15 0.00 0.04 0.00 0.00 61.00 62.71 3iqg s PRO 235 Cb -0.11 -2.12 1.09 0.00 0.04 0.00 0.00 34.50 33.41 3iqg s PRO 235 CO 0.22 -0.36 2.01 0.87 0.04 0.00 0.00 177.00 179.79 3iqg h LYS 236 N 1.21 0.31 -0.11 4.56 1.57 -1.81 -1.54 116.57 120.76 3iqg h LYS 236 Ca -0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3iqg h LYS 236 Cb 1.20 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3iqg h LYS 236 CO 0.60 0.20 0.00 0.09 -0.57 0.00 0.00 179.45 179.77 3iqg n ASN 237 N -4.47 0.59 -4.51 0.86 3.02 -0.65 -4.64 115.26 105.46 3iqg n ASN 237 Ca 0.07 -1.94 -0.42 0.00 -0.03 0.00 0.00 54.58 52.26 3iqg n ASN 237 Cb 0.34 -0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.35 3iqg n ASN 237 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3iqg s LEU 238 N -1.07 4.71 -0.81 3.41 2.96 -0.58 -3.21 118.68 124.09 3iqg s LEU 238 Ca 0.10 -0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 53.29 3iqg s LEU 238 Cb 0.05 -2.31 0.11 0.00 0.50 0.00 0.00 46.19 44.54 3iqg s LEU 238 CO 0.07 -0.44 1.03 -0.62 -1.32 0.00 0.00 176.35 175.07 3iqg s ASP 239 N 1.75 6.45 0.55 3.68 -1.08 -1.26 -4.89 116.67 121.87 3iqg s ASP 239 Ca 0.10 -1.69 0.22 0.00 -0.52 0.00 0.00 52.55 50.66 3iqg s ASP 239 Cb -0.17 -2.39 1.47 0.00 -1.46 0.00 0.00 42.92 40.37 3iqg s ASP 239 CO 0.12 -1.17 2.16 -0.07 0.52 0.00 0.00 175.17 176.73 3iqg h LEU 240 N 10.57 0.00 -2.38 -1.34 3.38 -1.95 -2.19 115.31 121.39 3iqg h LEU 240 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iqg h LEU 240 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3iqg h LEU 240 CO 1.12 0.00 -0.01 0.28 0.09 0.00 0.00 178.44 179.92 3iqg h SER 241 N 0.00 0.00 -0.06 -0.43 0.02 -2.05 -2.12 113.55 108.90 3iqg h SER 241 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3iqg h SER 241 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3iqg h SER 241 CO -0.00 0.01 0.00 2.30 -1.14 0.00 0.00 176.83 178.00 3iqg n ILE 242 N -3.88 0.05 -2.98 3.27 -6.64 -0.82 -4.92 119.36 103.44 3iqg n ILE 242 Ca -0.03 -0.46 -0.41 0.00 -1.77 0.00 0.00 62.75 60.09 3iqg n ILE 242 Cb 0.10 1.18 -0.05 0.00 -1.44 0.00 0.00 39.64 39.43 3iqg n ILE 242 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 3iqg s ILE 243 N -1.95 4.95 -0.17 7.28 -1.09 -0.80 -4.58 121.20 124.85 3iqg s ILE 243 Ca 0.31 1.49 0.10 0.00 -2.23 0.00 0.00 60.65 60.33 3iqg s ILE 243 Cb 0.20 -4.07 -0.23 0.00 -1.58 0.00 0.00 42.46 36.78 3iqg s ILE 243 CO 0.31 0.10 0.16 0.47 -1.23 0.00 0.00 174.94 174.75 3iqg n ASP 244 N 4.81 0.96 -3.80 3.58 8.00 -0.17 -5.00 116.55 124.93 3iqg n ASP 244 Ca 0.02 0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.47 3iqg n ASP 244 Cb 0.50 0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.68 3iqg n ASP 244 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3iqg s ARG 245 N -2.53 0.48 -0.13 -1.24 3.52 -0.93 -5.00 118.95 113.13 3iqg s ARG 245 Ca -0.17 -0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.41 3iqg s ARG 245 Cb 0.07 0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.69 3iqg s ARG 245 CO 0.76 -0.11 -0.20 0.08 -0.81 0.00 0.00 175.30 175.03 3iqg s VAL 246 N -0.80 1.89 -0.10 7.11 1.01 -1.26 -1.17 120.40 127.08 3iqg s VAL 246 Ca -0.09 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 3iqg s VAL 246 Cb -0.05 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3iqg s VAL 246 CO 0.02 0.52 -0.06 -1.61 0.00 0.00 0.00 175.10 173.97 3iqg s GLU 247 N 0.91 3.09 -0.01 2.72 0.41 -0.08 -4.98 118.70 120.76 3iqg s GLU 247 Ca -0.06 -0.53 -0.02 0.00 -0.41 0.00 0.00 54.97 53.95 3iqg s GLU 247 Cb -0.15 -2.71 -0.04 0.00 -1.78 0.00 0.00 34.13 29.45 3iqg s GLU 247 CO -0.03 0.52 0.13 0.95 -0.49 0.00 0.00 175.26 176.33 3iqg s THR 248 N -0.40 5.05 -0.00 3.63 -4.23 -1.26 -1.89 115.64 116.54 3iqg s THR 248 Ca 0.06 -0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 3iqg s THR 248 Cb -0.12 -3.33 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 3iqg s THR 248 CO 0.02 0.34 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.70 3iqg s VAL 249 N -1.25 0.41 0.44 2.29 1.01 -0.52 -4.79 120.40 117.99 3iqg s VAL 249 Ca 0.25 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 3iqg s VAL 249 Cb -0.12 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 3iqg s VAL 249 CO 0.16 0.08 0.79 1.51 0.00 0.00 0.00 175.10 177.64 3iqg s ASP 250 N -0.21 6.42 0.21 3.32 -4.77 -1.26 -1.17 116.67 119.21 3iqg s ASP 250 Ca 0.01 1.08 -0.10 0.00 -3.30 0.00 0.00 52.55 50.24 3iqg s ASP 250 Cb -0.02 -2.30 0.16 0.00 -1.09 0.00 0.00 42.92 39.66 3iqg s ASP 250 CO -0.00 -0.48 1.88 0.28 0.70 0.00 0.00 175.17 177.55 3iqg h SER 251 N 0.85 0.85 -0.33 2.11 0.02 -1.99 -0.71 113.55 114.36 3iqg h SER 251 Ca -0.47 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 3iqg h SER 251 Cb 1.19 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3iqg h SER 251 CO 0.63 0.61 0.14 0.44 -1.14 0.00 0.00 176.83 177.51 3iqg h ASP 252 N 1.00 0.45 -0.42 3.07 5.19 -1.99 0.05 116.42 123.77 3iqg h ASP 252 Ca 0.28 -0.16 -0.11 0.00 -0.62 0.00 0.00 57.03 56.42 3iqg h ASP 252 Cb -0.10 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.27 3iqg h ASP 252 CO -0.06 0.48 -0.14 0.74 -3.12 0.00 0.00 179.24 177.14 3iqg h THR 253 N 0.38 1.27 -0.23 0.35 2.02 -1.92 0.56 112.91 115.34 3iqg h THR 253 Ca 0.11 -1.26 0.05 0.00 0.77 0.00 0.00 66.41 66.07 3iqg h THR 253 Cb 0.17 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3iqg h THR 253 CO -0.01 0.44 -0.07 0.00 0.37 0.00 0.00 175.52 176.25 3iqg h ALA 254 N 1.03 0.13 0.06 6.16 0.00 -0.79 0.53 119.26 126.38 3iqg h ALA 254 Ca 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3iqg h ALA 254 Cb 0.67 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3iqg h ALA 254 CO 0.05 -0.48 -0.04 -0.07 0.00 0.00 0.00 179.25 178.70 3iqg h LEU 255 N -0.02 -0.10 -0.87 0.00 3.38 -0.67 -1.30 115.31 115.73 3iqg h LEU 255 Ca 0.11 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3iqg h LEU 255 Cb 0.19 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3iqg h LEU 255 CO -0.24 -0.07 0.55 0.00 0.09 0.00 0.00 178.44 178.77 3iqg h ALA 256 N 0.85 1.17 -0.49 1.53 0.00 -0.79 -1.09 119.26 120.44 3iqg h ALA 256 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3iqg h ALA 256 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3iqg h ALA 256 CO -0.00 0.36 0.03 1.15 0.00 0.00 0.00 179.25 180.79 3iqg h THR 257 N 1.05 1.26 -0.75 0.00 2.02 -0.70 -1.27 112.91 114.52 3iqg h THR 257 Ca 0.36 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3iqg h THR 257 Cb 0.08 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3iqg h THR 257 CO -0.14 0.36 0.42 0.00 0.37 0.00 0.00 175.52 176.52 3iqg h ALA 258 N 0.94 0.96 -0.94 6.16 0.00 -0.88 -0.32 119.26 125.18 3iqg h ALA 258 Ca 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iqg h ALA 258 Cb 0.47 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3iqg h ALA 258 CO 0.02 0.47 0.62 0.00 0.00 0.00 0.00 179.25 180.36 3iqg h ARG 259 N 1.03 1.23 -0.71 0.00 3.08 -0.88 -2.42 114.38 115.71 3iqg h ARG 259 Ca 0.26 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 3iqg h ARG 259 Cb 0.03 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 29.77 3iqg h ARG 259 CO -0.04 0.81 0.34 0.00 -1.07 0.00 0.00 179.97 180.01 3iqg h ARG 260 N 1.26 1.03 -0.71 0.04 3.08 -0.69 -0.71 114.38 117.68 3iqg h ARG 260 Ca 0.35 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 60.31 3iqg h ARG 260 Cb -0.13 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 29.68 3iqg h ARG 260 CO -0.08 0.81 0.40 -0.07 -1.07 0.00 0.00 179.97 179.96 3iqg h LEU 261 N 1.00 0.59 0.39 3.04 3.38 -0.64 0.23 115.31 123.30 3iqg h LEU 261 Ca 0.24 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 3iqg h LEU 261 Cb 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3iqg h LEU 261 CO -0.03 0.37 -0.19 0.24 0.09 0.00 0.00 178.44 178.93 3iqg h MET 262 N 0.72 -0.51 0.00 1.13 2.86 -1.11 -1.53 114.93 116.50 3iqg h MET 262 Ca 0.32 0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.80 3iqg h MET 262 Cb 0.21 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3iqg h MET 262 CO -0.19 -0.20 -0.88 0.00 1.06 0.00 0.00 176.91 176.70 3iqg h ALA 263 N -0.35 0.51 0.00 6.32 0.00 -0.93 -1.98 119.26 122.84 3iqg h ALA 263 Ca -0.05 -0.72 -0.16 0.00 0.00 0.00 0.00 54.91 53.97 3iqg h ALA 263 Cb 0.54 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3iqg h ALA 263 CO 0.09 0.91 -2.06 0.39 0.00 0.00 0.00 179.25 178.57 3iqg n GLU 264 N -3.66 0.81 -0.00 0.00 1.02 0.78 -4.61 120.64 114.98 3iqg n GLU 264 Ca -0.04 -0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.04 3iqg n GLU 264 Cb 0.81 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.72 3iqg n GLU 264 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3iqg n GLU 265 N -2.42 3.71 -2.57 3.49 -0.58 -0.72 -4.89 120.64 116.66 3iqg n GLU 265 Ca -0.16 -0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.43 3iqg n GLU 265 Cb 0.79 -0.88 0.01 0.00 -0.57 0.00 0.00 31.44 30.79 3iqg n GLU 265 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iqg n GLY 266 N 1.42 -0.11 3.26 0.62 0.00 -0.74 -4.99 105.19 104.65 3iqg n GLY 266 Ca 0.01 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3iqg n GLY 266 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iqg s ILE 267 N -2.84 3.23 -1.29 -0.61 1.01 -0.66 -4.97 121.20 115.07 3iqg s ILE 267 Ca 0.13 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 3iqg s ILE 267 Cb -0.06 -2.58 0.08 0.00 0.01 0.00 0.00 42.46 39.92 3iqg s ILE 267 CO 0.16 0.27 1.70 0.18 0.00 0.00 0.00 174.94 177.25 3iqg n LEU 268 N 4.75 5.01 -4.91 2.97 4.77 -1.26 -2.46 117.00 125.87 3iqg n LEU 268 Ca -0.17 -4.00 -0.31 0.00 -0.03 0.00 0.00 56.01 51.50 3iqg n LEU 268 Cb 0.49 -1.73 -0.04 0.00 -2.33 0.00 0.00 43.42 39.81 3iqg n LEU 268 CO 0.28 0.25 -0.04 0.00 -1.33 0.00 0.00 177.39 176.55 3iqg s ALA 269 N 3.82 3.89 0.88 -1.18 0.00 -1.26 -1.57 121.76 126.33 3iqg s ALA 269 Ca 0.52 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 3iqg s ALA 269 Cb 0.03 -1.98 0.18 0.00 0.00 0.00 0.00 23.12 21.34 3iqg s ALA 269 CO 0.07 0.70 1.21 0.20 0.00 0.00 0.00 175.76 177.94 3iqg s GLY 270 N -2.58 1.77 0.11 0.00 0.00 -0.67 -3.71 107.32 102.25 3iqg s GLY 270 Ca 0.38 -1.39 -0.20 0.00 0.00 0.00 0.00 44.72 43.51 3iqg s GLY 270 CO 0.27 -0.68 1.76 -2.22 0.00 0.00 0.00 173.10 172.23 3iqg h ILE 271 N -1.27 1.02 0.00 0.90 2.04 -1.91 -2.48 117.51 115.82 3iqg h ILE 271 Ca -0.42 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3iqg h ILE 271 Cb 1.24 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3iqg h ILE 271 CO 0.39 0.03 -0.12 0.77 0.00 0.00 0.00 178.15 179.22 3iqg h SER 272 N 0.18 0.00 -0.68 1.72 4.64 -1.88 -0.77 113.55 116.76 3iqg h SER 272 Ca 0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 3iqg h SER 272 Cb -0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 3iqg h SER 272 CO -0.02 0.12 0.12 0.28 -0.87 0.00 0.00 176.83 176.46 3iqg h SER 273 N 0.00 1.07 -0.66 4.97 0.02 -1.76 -1.22 113.55 115.97 3iqg h SER 273 Ca -0.00 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 3iqg h SER 273 Cb 0.35 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3iqg h SER 273 CO 0.02 1.06 0.36 1.23 -1.14 0.00 0.00 176.83 178.35 3iqg h GLY 274 N 1.05 1.00 0.98 -3.77 0.00 -0.88 -1.50 103.07 99.95 3iqg h GLY 274 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3iqg h GLY 274 CO 0.01 0.44 0.04 0.00 0.00 0.00 0.00 176.54 177.02 3iqg h ALA 275 N 1.18 0.08 -0.60 3.60 0.00 -1.10 -0.39 119.26 122.02 3iqg h ALA 275 Ca 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3iqg h ALA 275 Cb 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3iqg h ALA 275 CO -0.04 -0.43 0.30 0.00 0.00 0.00 0.00 179.25 179.08 3iqg h ALA 276 N 1.03 0.77 -0.59 0.00 0.00 -1.00 -1.91 119.26 117.56 3iqg h ALA 276 Ca 0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3iqg h ALA 276 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3iqg h ALA 276 CO -0.01 0.33 0.06 0.28 0.00 0.00 0.00 179.25 179.91 3iqg h VAL 277 N 0.82 1.25 -0.43 0.00 2.07 -1.21 -0.51 116.25 118.24 3iqg h VAL 277 Ca 0.21 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3iqg h VAL 277 Cb 0.11 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3iqg h VAL 277 CO -0.03 0.38 0.25 0.00 0.02 0.00 0.00 177.57 178.19 3iqg h ALA 278 N 1.14 0.55 -0.18 1.67 0.00 -0.67 0.26 119.26 122.03 3iqg h ALA 278 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iqg h ALA 278 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3iqg h ALA 278 CO 0.02 0.05 0.12 0.00 0.00 0.00 0.00 179.25 179.43 3iqg h ALA 279 N 1.11 0.23 -0.64 0.00 0.00 -1.21 -2.45 119.26 116.30 3iqg h ALA 279 Ca 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3iqg h ALA 279 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3iqg h ALA 279 CO -0.03 -0.28 0.42 0.00 0.00 0.00 0.00 179.25 179.36 3iqg h ALA 280 N 1.06 0.81 -0.88 0.00 0.00 -0.82 -2.60 119.26 116.84 3iqg h ALA 280 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3iqg h ALA 280 Cb -0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 3iqg h ALA 280 CO -0.01 0.22 0.57 0.22 0.00 0.00 0.00 179.25 180.24 3iqg h ASP 281 N 0.85 0.96 -0.15 0.00 3.58 -0.43 0.18 116.42 121.39 3iqg h ASP 281 Ca 0.24 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 3iqg h ASP 281 Cb -0.08 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 3iqg h ASP 281 CO -0.06 0.66 0.09 -0.09 -2.88 0.00 0.00 179.24 176.96 3iqg h ARG 282 N 1.12 0.21 -0.45 0.28 2.43 -1.22 -2.72 114.38 114.04 3iqg h ARG 282 Ca 0.34 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3iqg h ARG 282 Cb -0.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3iqg h ARG 282 CO -0.11 0.21 0.03 -0.07 -1.51 0.00 0.00 179.97 178.52 3iqg h LEU 283 N 0.16 0.67 -1.56 3.80 3.38 -1.15 -3.05 115.31 117.57 3iqg h LEU 283 Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3iqg h LEU 283 Cb 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3iqg h LEU 283 CO -0.01 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.24 3iqg h ALA 284 N 1.36 1.00 -0.59 1.53 0.00 -0.35 -1.89 119.26 120.32 3iqg h ALA 284 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iqg h ALA 284 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3iqg h ALA 284 CO 0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.89 3iqg n LYS 285 N -2.84 2.72 -3.25 0.00 5.02 -1.08 -4.22 118.16 114.52 3iqg n LYS 285 Ca 0.00 -2.44 -0.38 0.00 -2.02 0.00 0.00 58.31 53.47 3iqg n LYS 285 Cb 0.23 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 3iqg n LYS 285 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iqg s LEU 286 N -1.04 4.27 0.52 -0.35 1.43 -0.71 -4.98 118.68 117.82 3iqg s LEU 286 Ca 0.40 0.89 0.29 0.00 -1.03 0.00 0.00 54.13 54.68 3iqg s LEU 286 Cb 0.21 -2.78 1.42 0.00 0.03 0.00 0.00 46.19 45.07 3iqg s LEU 286 CO 0.28 -0.05 1.89 -0.65 0.23 0.00 0.00 176.35 178.05 3iqg h PRO 287 N 6.81 0.06 -0.03 1.29 0.11 -1.89 0.99 132.00 139.33 3iqg h PRO 287 Ca -0.40 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.71 3iqg h PRO 287 Cb 1.18 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3iqg h PRO 287 CO 0.76 0.04 0.03 1.05 -0.21 0.00 0.00 178.00 179.66 3iqg h GLU 288 N 0.06 0.00 -0.39 1.05 4.11 -1.93 -2.28 114.58 115.19 3iqg h GLU 288 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 3iqg h GLU 288 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 3iqg h GLU 288 CO -0.03 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.24 3iqg n PHE 289 N -4.03 1.21 -0.27 2.06 3.72 0.33 -4.66 117.46 115.82 3iqg n PHE 289 Ca -0.02 -0.76 -0.06 0.00 -0.05 0.00 0.00 57.45 56.56 3iqg n PHE 289 Cb 0.12 -0.31 0.06 0.00 -0.94 0.00 0.00 39.48 38.40 3iqg n PHE 289 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iqg h ALA 290 N 2.61 0.95 -0.69 4.37 0.00 -1.33 -2.61 119.26 122.57 3iqg h ALA 290 Ca 0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 3iqg h ALA 290 Cb 1.48 -0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 3iqg h ALA 290 CO 0.26 0.53 0.27 -0.25 0.00 0.00 0.00 179.25 180.05 3iqg n ASP 291 N -4.39 4.18 -4.47 0.00 8.00 -1.26 -4.92 116.55 113.69 3iqg n ASP 291 Ca 0.06 -3.37 -0.33 0.00 0.71 0.00 0.00 54.79 51.86 3iqg n ASP 291 Cb 0.14 -0.73 -0.13 0.00 -0.02 0.00 0.00 41.12 40.38 3iqg n ASP 291 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iqg s LYS 292 N -3.08 3.17 -0.28 -1.24 1.02 -0.99 -5.09 119.74 113.26 3iqg s LYS 292 Ca 0.53 -0.62 -0.26 0.00 0.02 0.00 0.00 55.97 55.64 3iqg s LYS 292 Cb 0.43 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 35.10 3iqg s LYS 292 CO 0.10 0.39 0.92 -1.17 -0.92 0.00 0.00 175.35 174.68 3iqg s LEU 293 N -0.08 4.05 -0.22 3.17 2.96 -1.26 -4.78 118.68 122.51 3iqg s LEU 293 Ca -0.01 1.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.86 3iqg s LEU 293 Cb -0.14 -3.32 -0.02 0.00 0.50 0.00 0.00 46.19 43.21 3iqg s LEU 293 CO 0.03 -0.66 0.02 -0.63 -1.32 0.00 0.00 176.35 173.79 3iqg s ILE 294 N 3.15 4.01 -0.15 6.68 1.01 0.46 -1.09 121.20 135.26 3iqg s ILE 294 Ca 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 3iqg s ILE 294 Cb -0.14 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 3iqg s ILE 294 CO 0.10 0.39 -0.08 -0.69 0.00 0.00 0.00 174.94 174.66 3iqg s VAL 295 N 1.32 3.44 -0.10 2.92 1.01 -0.12 -0.38 120.40 128.49 3iqg s VAL 295 Ca 0.04 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3iqg s VAL 295 Cb -0.15 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 3iqg s VAL 295 CO 0.02 0.50 -0.22 -0.69 0.00 0.00 0.00 175.10 174.70 3iqg s VAL 296 N 0.48 2.23 -0.12 2.92 1.01 0.01 -0.80 120.40 126.14 3iqg s VAL 296 Ca -0.06 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3iqg s VAL 296 Cb -0.15 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3iqg s VAL 296 CO 0.04 0.56 0.93 -0.63 0.00 0.00 0.00 175.10 175.99 3iqg s ILE 297 N 0.27 4.84 -0.53 2.22 -1.09 -0.52 -0.55 121.20 125.84 3iqg s ILE 297 Ca -0.16 1.87 -0.09 0.00 -2.23 0.00 0.00 60.65 60.04 3iqg s ILE 297 Cb -0.17 -4.24 0.14 0.00 -1.58 0.00 0.00 42.46 36.61 3iqg s ILE 297 CO 0.08 0.04 0.41 -0.76 -1.23 0.00 0.00 174.94 173.47 3iqg s LEU 298 N 1.89 5.76 0.55 2.97 1.43 -0.60 -4.74 118.68 125.94 3iqg s LEU 298 Ca 0.45 -2.12 0.29 0.00 -1.03 0.00 0.00 54.13 51.71 3iqg s LEU 298 Cb -0.18 -2.01 1.58 0.00 0.03 0.00 0.00 46.19 45.61 3iqg s LEU 298 CO 0.17 -0.64 2.13 -0.65 0.23 0.00 0.00 176.35 177.59 3iqg h PRO 299 N 8.20 0.00 -3.37 1.29 0.11 -1.89 -1.49 132.00 134.84 3iqg h PRO 299 Ca -0.15 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.87 3iqg h PRO 299 Cb 1.05 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3iqg h PRO 299 CO 0.83 0.08 0.10 -1.54 -0.21 0.00 0.00 178.00 177.27 3iqg s SER 300 N -6.11 0.23 0.14 -2.05 1.04 -1.26 -0.80 113.70 104.89 3iqg s SER 300 Ca -0.03 -1.17 0.10 0.00 0.48 0.00 0.00 55.95 55.33 3iqg s SER 300 Cb 0.14 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.98 3iqg s SER 300 CO 0.57 -1.50 -0.20 0.00 0.98 0.00 0.00 173.24 173.08 3iqg s ALA 301 N -2.83 2.61 0.27 5.32 0.00 -1.26 -1.67 121.76 124.20 3iqg s ALA 301 Ca 0.20 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 3iqg s ALA 301 Cb -0.04 -0.54 0.53 0.00 0.00 0.00 0.00 23.12 23.07 3iqg s ALA 301 CO 0.13 0.55 1.78 0.77 0.00 0.00 0.00 175.76 178.99 3iqg h SER 302 N 3.62 0.62 0.42 0.00 0.02 -1.37 -2.91 113.55 113.94 3iqg h SER 302 Ca -0.49 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 3iqg h SER 302 Cb 1.18 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 3iqg h SER 302 CO 0.45 0.28 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.05 3iqg h GLU 303 N 0.70 0.00 0.00 3.45 5.08 -1.91 0.85 114.58 122.75 3iqg h GLU 303 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 3iqg h GLU 303 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3iqg h GLU 303 CO -0.33 0.04 0.00 -2.13 -1.00 0.00 0.00 179.01 175.59 3iqg n ARG 304 N -3.30 0.20 -0.08 2.33 0.63 -1.10 -3.15 116.66 112.19 3iqg n ARG 304 Ca -0.02 0.15 0.07 0.00 -0.92 0.00 0.00 57.85 57.13 3iqg n ARG 304 Cb 0.20 -1.50 0.10 0.00 0.45 0.00 0.00 32.46 31.70 3iqg n ARG 304 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3iqg n TYR 305 N -1.30 0.00 0.14 -0.14 4.01 0.29 -4.81 117.16 115.36 3iqg n TYR 305 Ca 0.07 -0.80 0.04 0.00 -0.16 0.00 0.00 57.90 57.05 3iqg n TYR 305 Cb 0.12 -0.12 0.47 0.00 -0.31 0.00 0.00 39.34 39.50 3iqg n TYR 305 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3iqg h LEU 306 N 0.00 0.19 -1.94 7.72 3.38 -1.59 -1.60 115.31 121.48 3iqg h LEU 306 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iqg h LEU 306 Cb 0.91 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3iqg h LEU 306 CO 0.00 0.26 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 3iqg n SER 307 N -4.38 2.87 -4.88 -0.43 3.41 -1.26 -4.62 113.62 104.33 3iqg n SER 307 Ca -0.01 -2.19 -0.25 0.00 -0.26 0.00 0.00 58.87 56.16 3iqg n SER 307 Cb 0.18 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 3iqg n SER 307 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3iqg s THR 308 N -1.63 1.91 0.61 6.66 -4.23 -0.60 -4.99 115.64 113.37 3iqg s THR 308 Ca 0.31 -1.48 0.31 0.00 -1.18 0.00 0.00 61.69 59.65 3iqg s THR 308 Cb 0.19 -2.39 0.31 0.00 1.34 0.00 0.00 72.50 71.95 3iqg s THR 308 CO 0.16 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.20 3iqg h ALA 309 N 0.87 1.26 -0.81 3.99 0.00 -1.92 -2.02 119.26 120.62 3iqg h ALA 309 Ca -0.38 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.59 3iqg h ALA 309 Cb 1.29 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3iqg h ALA 309 CO 0.58 -0.26 0.53 1.25 0.00 0.00 0.00 179.25 181.36 3iqg h LEU 310 N 0.00 0.78 -1.16 0.00 5.85 -1.94 -3.51 115.31 115.33 3iqg h LEU 310 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3iqg h LEU 310 Cb 0.53 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3iqg h LEU 310 CO 0.00 0.50 0.00 0.49 -0.34 0.00 0.00 178.44 179.09