#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iaq s THR 2 N 0.00 4.70 -0.06 3.17 2.01 -1.23 -4.91 115.64 119.31 1iaq s THR 2 Ca 0.00 0.95 0.05 0.00 0.31 0.00 0.00 61.69 63.00 1iaq s THR 2 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1iaq s THR 2 CO 0.00 -0.07 -0.21 -0.70 -0.69 0.00 0.00 174.62 172.95 1iaq s GLU 3 N -2.71 2.63 -0.06 4.92 2.12 -1.26 -0.92 118.70 123.41 1iaq s GLU 3 Ca 0.50 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1iaq s GLU 3 Cb -0.12 -2.27 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 1iaq s GLU 3 CO 0.19 0.43 -0.19 0.71 -0.54 0.00 0.00 175.26 175.85 1iaq s TYR 4 N -0.26 1.95 -0.37 5.30 4.12 -0.30 -4.96 117.35 122.83 1iaq s TYR 4 Ca -0.00 -0.64 -0.07 0.00 0.02 0.00 0.00 57.07 56.37 1iaq s TYR 4 Cb -0.13 -1.32 0.06 0.00 -1.52 0.00 0.00 41.96 39.05 1iaq s TYR 4 CO 0.03 -0.24 0.17 0.15 0.02 0.00 0.00 175.55 175.67 1iaq s LYS 5 N 0.17 2.57 -0.12 -0.62 1.02 -1.26 -0.81 119.74 120.68 1iaq s LYS 5 Ca -0.09 -1.32 -0.07 0.00 0.02 0.00 0.00 55.97 54.52 1iaq s LYS 5 Cb -0.14 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 1iaq s LYS 5 CO 0.04 -0.80 0.12 -0.51 -0.92 0.00 0.00 175.35 173.28 1iaq s LEU 6 N 1.39 4.25 -0.21 3.17 1.43 -0.22 0.23 118.68 128.73 1iaq s LEU 6 Ca 0.01 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1iaq s LEU 6 Cb -0.21 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.01 1iaq s LEU 6 CO 0.02 0.38 -0.17 -0.69 0.23 0.00 0.00 176.35 176.13 1iaq s VAL 7 N -0.87 2.12 -0.22 -1.59 1.01 0.59 -1.74 120.40 119.70 1iaq s VAL 7 Ca 0.14 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.78 1iaq s VAL 7 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1iaq s VAL 7 CO 0.03 0.35 0.46 -0.69 0.00 0.00 0.00 175.10 175.26 1iaq s VAL 8 N 1.23 5.14 0.22 2.92 1.01 -1.16 -0.89 120.40 128.87 1iaq s VAL 8 Ca 0.00 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.88 1iaq s VAL 8 Cb -0.15 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1iaq s VAL 8 CO -0.10 0.19 -0.11 0.68 0.00 0.00 0.00 175.10 175.76 1iaq s VAL 9 N 1.66 1.60 0.00 2.92 -7.23 -0.56 -2.75 120.40 116.05 1iaq s VAL 9 Ca 0.21 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1iaq s VAL 9 Cb -0.15 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1iaq s VAL 9 CO 0.09 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1iaq n GLY 10 N -0.42 2.89 3.61 2.32 0.00 -1.26 -1.31 105.19 111.02 1iaq n GLY 10 Ca -0.07 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1iaq n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iaq n ALA 11 N -1.17 0.14 -1.71 4.61 0.00 -1.25 -4.28 120.51 116.85 1iaq n ALA 11 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 1iaq n ALA 11 Cb 0.00 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.36 1iaq n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iaq n GLY 12 N 1.23 0.98 2.12 0.00 0.00 -1.25 -2.93 105.19 105.34 1iaq n GLY 12 Ca 0.10 0.45 -0.05 0.00 0.00 0.00 0.00 46.02 46.52 1iaq n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iaq n GLY 13 N 1.86 0.61 0.08 -0.02 0.00 -1.26 -4.93 105.19 101.52 1iaq n GLY 13 Ca 0.09 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.41 1iaq n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1iaq h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -3.48 116.25 110.98 1iaq h VAL 14 Ca -0.10 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1iaq h VAL 14 Cb 0.48 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1iaq h VAL 14 CO 0.14 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.09 1iaq n GLY 15 N 1.31 1.56 0.26 5.19 0.00 -1.26 -4.55 105.19 107.69 1iaq n GLY 15 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1iaq n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iaq h LYS 16 N 0.02 -0.28 -0.24 1.61 1.57 -1.92 -1.93 116.57 115.41 1iaq h LYS 16 Ca 0.00 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1iaq h LYS 16 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1iaq h LYS 16 CO 0.00 -0.18 0.03 0.77 -0.57 0.00 0.00 179.45 179.49 1iaq h SER 17 N -0.29 0.38 -0.72 0.86 0.02 -1.95 -2.65 113.55 109.20 1iaq h SER 17 Ca 0.10 -0.27 0.16 0.00 -0.84 0.00 0.00 61.79 60.94 1iaq h SER 17 Cb 0.43 -0.10 -0.11 0.00 0.14 0.00 0.00 62.40 62.76 1iaq h SER 17 CO -0.29 0.56 0.11 0.00 -1.14 0.00 0.00 176.83 176.06 1iaq h ALA 18 N 0.84 0.86 0.81 3.77 0.00 -1.83 0.94 119.26 124.65 1iaq h ALA 18 Ca 0.07 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1iaq h ALA 18 Cb 0.34 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1iaq h ALA 18 CO 0.01 -0.38 -0.39 -0.07 0.00 0.00 0.00 179.25 178.42 1iaq h LEU 19 N 0.20 -0.92 -0.46 0.00 3.38 -1.28 -1.18 115.31 115.04 1iaq h LEU 19 Ca 0.40 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.50 1iaq h LEU 19 Cb 0.70 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 1iaq h LEU 19 CO -0.55 -0.65 -0.20 0.74 0.09 0.00 0.00 178.44 177.86 1iaq h THR 20 N -1.10 0.39 0.00 0.22 2.02 -0.98 0.36 112.91 113.81 1iaq h THR 20 Ca -0.11 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1iaq h THR 20 Cb 0.84 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1iaq h THR 20 CO 0.18 0.00 -0.05 0.40 0.37 0.00 0.00 175.52 176.42 1iaq h ILE 21 N -0.10 0.18 0.00 3.11 2.04 -0.83 -1.75 117.51 120.16 1iaq h ILE 21 Ca 0.22 -0.49 -0.19 0.00 1.00 0.00 0.00 64.86 65.41 1iaq h ILE 21 Cb 0.44 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1iaq h ILE 21 CO -0.53 0.05 -0.88 -0.61 0.00 0.00 0.00 178.15 176.18 1iaq h GLN 22 N 0.00 0.04 0.14 2.37 5.75 0.35 -1.06 115.11 122.70 1iaq h GLN 22 Ca -0.00 -0.05 -0.31 0.00 -0.15 0.00 0.00 58.65 58.14 1iaq h GLN 22 Cb 0.40 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1iaq h GLN 22 CO 0.01 0.89 -1.52 1.25 -2.65 0.00 0.00 178.83 176.81 1iaq h LEU 23 N 0.02 0.47 0.13 -2.39 5.85 -0.85 -2.62 115.31 115.91 1iaq h LEU 23 Ca -0.02 -0.62 -0.25 0.00 0.84 0.00 0.00 57.88 57.83 1iaq h LEU 23 Cb 1.54 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 42.43 1iaq h LEU 23 CO 0.12 1.51 -1.25 0.40 -0.34 0.00 0.00 178.44 178.87 1iaq h ILE 24 N 0.08 1.18 -0.02 4.05 1.08 -1.41 -3.39 117.51 119.07 1iaq h ILE 24 Ca -0.24 -2.45 -0.01 0.00 -0.39 0.00 0.00 64.86 61.76 1iaq h ILE 24 Cb 2.04 2.87 -0.01 0.00 -3.07 0.00 0.00 36.82 38.65 1iaq h ILE 24 CO 0.18 0.71 -0.28 0.00 -0.69 0.00 0.00 178.15 178.08 1iaq n GLN 25 N -3.97 1.51 -3.51 2.37 6.02 -0.40 -5.03 117.38 114.37 1iaq n GLN 25 Ca -0.21 -3.01 -0.26 0.00 -0.01 0.00 0.00 57.00 53.51 1iaq n GLN 25 Cb 0.89 -1.59 -0.05 0.00 1.02 0.00 0.00 30.24 30.51 1iaq n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1iaq n ASN 26 N -1.23 -0.76 -3.61 1.08 4.13 -0.99 -4.90 115.26 108.99 1iaq n ASN 26 Ca 0.19 -0.81 -0.11 0.00 1.68 0.00 0.00 54.58 55.53 1iaq n ASN 26 Cb 0.69 -1.03 -0.04 0.00 -1.54 0.00 0.00 39.78 37.86 1iaq n ASN 26 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1iaq s HIS 27 N -2.79 -0.25 -0.00 3.10 -3.43 -1.25 -5.01 115.29 105.66 1iaq s HIS 27 Ca 0.41 -0.05 -0.20 0.00 -0.80 0.00 0.00 55.06 54.42 1iaq s HIS 27 Cb -0.24 0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 31.17 1iaq s HIS 27 CO 0.66 -0.74 0.59 0.12 -2.00 0.00 0.00 174.74 173.37 1iaq s PHE 28 N -3.80 3.69 0.00 0.38 5.36 -1.26 -3.94 117.98 118.41 1iaq s PHE 28 Ca 0.03 1.19 0.00 0.00 -0.96 0.00 0.00 56.93 57.19 1iaq s PHE 28 Cb 0.01 -2.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.09 1iaq s PHE 28 CO -0.12 0.36 0.00 0.28 -1.46 0.00 0.00 175.22 174.29 1iaq n VAL 29 N 2.69 0.00 -1.54 3.12 0.31 -1.26 -5.11 118.33 116.54 1iaq n VAL 29 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 1iaq n VAL 29 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 1iaq n VAL 29 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1iaq n SER 39 N 0.00 0.40 -4.06 4.52 2.88 -1.26 -4.87 113.62 111.23 1iaq n SER 39 Ca 0.00 1.02 -0.18 0.00 -1.33 0.00 0.00 58.87 58.38 1iaq n SER 39 Cb 0.00 -1.24 -0.14 0.00 -0.75 0.00 0.00 64.21 62.08 1iaq n SER 39 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1iaq s TYR 40 N -1.30 0.86 0.27 0.66 1.51 0.29 -4.97 117.35 114.68 1iaq s TYR 40 Ca 0.63 -0.27 0.09 0.00 -1.01 0.00 0.00 57.07 56.51 1iaq s TYR 40 Cb -0.61 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 1iaq s TYR 40 CO 0.58 -0.01 0.03 1.03 -1.11 0.00 0.00 175.55 176.06 1iaq s ARG 41 N -0.75 2.37 -0.30 -0.62 1.81 -1.26 -0.57 118.95 119.63 1iaq s ARG 41 Ca 0.00 -1.39 -0.17 0.00 -1.72 0.00 0.00 55.73 52.45 1iaq s ARG 41 Cb -0.06 -2.20 0.18 0.00 -0.45 0.00 0.00 34.95 32.41 1iaq s ARG 41 CO 0.00 0.35 1.11 0.21 -0.68 0.00 0.00 175.30 176.29 1iaq s LYS 42 N -3.71 0.20 -0.11 3.54 2.47 -1.00 -4.97 119.74 116.16 1iaq s LYS 42 Ca 0.32 0.44 -0.22 0.00 -1.56 0.00 0.00 55.97 54.94 1iaq s LYS 42 Cb -0.06 0.20 -0.03 0.00 -1.46 0.00 0.00 37.83 36.48 1iaq s LYS 42 CO 0.21 -0.06 0.67 -1.14 0.16 0.00 0.00 175.35 175.19 1iaq s GLN 43 N 1.92 4.36 0.07 4.03 2.00 -1.26 -1.20 119.66 129.58 1iaq s GLN 43 Ca -0.04 0.79 -0.20 0.00 -2.00 0.00 0.00 55.36 53.91 1iaq s GLN 43 Cb -0.04 -3.49 0.04 0.00 0.80 0.00 0.00 33.01 30.33 1iaq s GLN 43 CO -0.15 -0.04 0.47 0.14 -0.50 0.00 0.00 175.29 175.20 1iaq s VAL 44 N 1.20 0.04 -0.19 1.34 -7.23 -0.93 -5.00 120.40 109.63 1iaq s VAL 44 Ca 0.34 -0.37 -0.03 0.00 -1.81 0.00 0.00 61.98 60.12 1iaq s VAL 44 Cb -0.17 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 1iaq s VAL 44 CO 0.15 -0.20 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.99 1iaq s VAL 45 N -2.81 3.44 -0.16 1.32 1.01 -1.26 -1.44 120.40 120.50 1iaq s VAL 45 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1iaq s VAL 45 Cb -0.00 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1iaq s VAL 45 CO -0.05 0.46 -0.13 -0.63 0.00 0.00 0.00 175.10 174.75 1iaq s ILE 46 N 1.02 1.59 -1.43 2.22 1.01 -0.37 -4.71 121.20 120.53 1iaq s ILE 46 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 1iaq s ILE 46 Cb -0.15 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.81 1iaq s ILE 46 CO 0.00 0.37 1.04 0.47 0.00 0.00 0.00 174.94 176.83 1iaq n ASP 47 N 4.75 -5.96 0.00 3.58 10.43 -1.26 -2.87 116.55 125.22 1iaq n ASP 47 Ca -0.16 -0.55 0.00 0.00 2.57 0.00 0.00 54.79 56.65 1iaq n ASP 47 Cb 0.49 -4.72 0.00 0.00 1.84 0.00 0.00 41.12 38.73 1iaq n ASP 47 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iaq n GLY 48 N -1.85 2.06 3.50 0.44 0.00 -1.26 -4.98 105.19 103.09 1iaq n GLY 48 Ca -0.00 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 1iaq n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iaq n GLU 49 N 0.00 0.81 -3.94 1.61 2.13 -1.14 -4.91 120.64 115.20 1iaq n GLU 49 Ca 0.00 0.29 -0.36 0.00 0.66 0.00 0.00 57.16 57.74 1iaq n GLU 49 Cb 0.00 -1.56 -0.06 0.00 0.27 0.00 0.00 31.44 30.08 1iaq n GLU 49 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1iaq s THR 50 N -1.20 5.35 0.19 6.31 -1.32 -1.26 -1.24 115.64 122.47 1iaq s THR 50 Ca 0.61 0.10 -0.21 0.00 -1.21 0.00 0.00 61.69 60.99 1iaq s THR 50 Cb -0.71 -3.34 0.05 0.00 -1.51 0.00 0.00 72.50 66.99 1iaq s THR 50 CO 0.58 0.58 0.60 0.00 -2.21 0.00 0.00 174.62 174.17 1iaq s LEU 52 N -2.81 3.88 -0.42 0.00 2.96 -0.10 -2.18 118.68 120.01 1iaq s LEU 52 Ca 0.05 -0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 53.79 1iaq s LEU 52 Cb -0.02 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1iaq s LEU 52 CO -0.07 0.03 0.43 -0.76 -1.32 0.00 0.00 176.35 174.66 1iaq s LEU 53 N 1.25 4.86 -0.56 -0.68 1.02 -0.34 -1.15 118.68 123.08 1iaq s LEU 53 Ca 0.06 -0.66 -0.13 0.00 0.02 0.00 0.00 54.13 53.42 1iaq s LEU 53 Cb -0.14 -2.38 0.14 0.00 0.02 0.00 0.00 46.19 43.83 1iaq s LEU 53 CO 0.05 -0.57 0.48 -0.62 0.02 0.00 0.00 176.35 175.71 1iaq s ASP 54 N 1.80 6.05 -0.28 2.29 -1.08 0.01 -2.39 116.67 123.07 1iaq s ASP 54 Ca 0.12 -1.99 -0.13 0.00 -0.52 0.00 0.00 52.55 50.03 1iaq s ASP 54 Cb -0.17 -2.12 -0.04 0.00 -1.46 0.00 0.00 42.92 39.12 1iaq s ASP 54 CO 0.13 -0.74 0.27 -0.63 0.52 0.00 0.00 175.17 174.72 1iaq s ILE 55 N 1.26 5.25 -0.47 4.11 1.01 0.27 -1.06 121.20 131.57 1iaq s ILE 55 Ca 0.06 0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.93 1iaq s ILE 55 Cb -0.26 -3.61 0.12 0.00 0.01 0.00 0.00 42.46 38.72 1iaq s ILE 55 CO -0.00 0.20 0.36 -0.22 0.00 0.00 0.00 174.94 175.28 1iaq s LEU 56 N 1.89 5.70 -0.21 2.97 2.96 -0.71 0.10 118.68 131.39 1iaq s LEU 56 Ca 0.10 -1.85 -0.29 0.00 -0.22 0.00 0.00 54.13 51.87 1iaq s LEU 56 Cb -0.16 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 1iaq s LEU 56 CO 0.11 -0.70 1.23 -0.62 -1.32 0.00 0.00 176.35 175.05 1iaq s ASP 57 N 2.73 6.91 0.66 3.68 -1.08 -1.26 -2.98 116.67 125.33 1iaq s ASP 57 Ca 0.05 1.53 -0.06 0.00 -0.52 0.00 0.00 52.55 53.55 1iaq s ASP 57 Cb -0.26 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 38.70 1iaq s ASP 57 CO 0.00 -0.82 0.96 0.28 0.52 0.00 0.00 175.17 176.11 1iaq s THR 58 N 3.65 2.74 -0.23 1.71 -1.32 -1.11 -4.81 115.64 116.27 1iaq s THR 58 Ca 0.53 -0.22 -0.09 0.00 -1.21 0.00 0.00 61.69 60.71 1iaq s THR 58 Cb -0.19 -3.14 -0.04 0.00 -1.51 0.00 0.00 72.50 67.61 1iaq s THR 58 CO 0.15 -0.15 0.11 0.00 -2.21 0.00 0.00 174.62 172.52 1iaq s ALA 59 N -3.12 3.42 -0.57 11.08 0.00 -1.26 -4.89 121.76 126.42 1iaq s ALA 59 Ca 0.58 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 51.43 1iaq s ALA 59 Cb -0.11 -2.15 -0.18 0.00 0.00 0.00 0.00 23.12 20.68 1iaq s ALA 59 CO 0.44 -0.18 1.64 0.41 0.00 0.00 0.00 175.76 178.08 1iaq n GLY 60 N 4.27 -0.17 0.00 0.00 0.00 -1.26 -4.91 105.19 103.12 1iaq n GLY 60 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1iaq n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iaq n GLN 61 N 6.88 0.00 0.00 1.61 1.13 -1.26 -3.87 117.38 121.87 1iaq n GLN 61 Ca 0.29 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1iaq n GLN 61 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.80 1iaq n GLN 61 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1iaq n ARG 68 N 0.00 0.00 -0.34 -1.09 1.74 -1.26 -4.98 116.66 110.73 1iaq n ARG 68 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1iaq n ARG 68 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1iaq n ARG 68 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1iaq n ASP 69 N 0.00 3.01 0.00 0.55 9.92 -1.26 -3.95 116.55 124.83 1iaq n ASP 69 Ca 0.00 -1.85 0.00 0.00 -0.53 0.00 0.00 54.79 52.41 1iaq n ASP 69 Cb 0.00 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 1iaq n ASP 69 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1iaq n GLN 70 N 1.93 0.00 0.00 -1.24 7.27 -1.26 -4.81 117.38 119.27 1iaq n GLN 70 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.12 1iaq n GLN 70 Cb 0.33 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.98 1iaq n GLN 70 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 1iaq n TYR 71 N -0.51 0.00 0.30 3.69 0.18 -1.25 0.11 117.16 119.68 1iaq n TYR 71 Ca 0.00 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.84 1iaq n TYR 71 Cb 0.00 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 38.87 1iaq n TYR 71 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1iaq n MET 72 N -0.61 1.56 0.10 -3.48 2.81 -1.26 -3.89 117.12 112.36 1iaq n MET 72 Ca 0.00 -0.06 0.13 0.00 -1.81 0.00 0.00 57.70 55.96 1iaq n MET 72 Cb 0.00 -1.22 0.33 0.00 -0.71 0.00 0.00 33.22 31.63 1iaq n MET 72 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1iaq h ARG 73 N 0.00 0.00 0.07 0.03 2.43 0.52 -3.30 114.38 114.14 1iaq h ARG 73 Ca 0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 1iaq h ARG 73 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1iaq h ARG 73 CO 0.00 0.00 -1.11 1.79 -1.51 0.00 0.00 179.97 179.14 1iaq h THR 74 N 0.00 1.16 -2.45 0.20 1.35 -1.72 -3.47 112.91 107.97 1iaq h THR 74 Ca 0.00 -2.35 -0.61 0.00 -0.55 0.00 0.00 66.41 62.91 1iaq h THR 74 Cb 0.76 2.74 0.12 0.00 -1.73 0.00 0.00 68.15 70.05 1iaq h THR 74 CO 0.00 0.60 -0.04 0.61 -0.25 0.00 0.00 175.52 176.44 1iaq n GLY 75 N 1.65 -0.65 0.12 5.82 0.00 -1.24 -4.93 105.19 105.96 1iaq n GLY 75 Ca -0.23 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1iaq n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iaq n GLU 76 N 0.58 0.68 -4.45 1.61 1.02 0.14 -4.97 120.64 115.24 1iaq n GLU 76 Ca 0.11 0.15 -0.22 0.00 -0.02 0.00 0.00 57.16 57.18 1iaq n GLU 76 Cb 0.35 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 1iaq n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1iaq s GLY 77 N -5.95 0.89 -0.03 0.62 0.00 -0.71 -4.33 107.32 97.81 1iaq s GLY 77 Ca -0.24 -0.89 0.07 0.00 0.00 0.00 0.00 44.72 43.66 1iaq s GLY 77 CO 0.71 -0.85 -0.25 -1.36 0.00 0.00 0.00 173.10 171.35 1iaq s PHE 78 N -0.82 2.39 -0.52 1.90 0.08 -0.23 -0.30 117.98 120.48 1iaq s PHE 78 Ca 0.04 -0.47 -0.05 0.00 0.12 0.00 0.00 56.93 56.57 1iaq s PHE 78 Cb -0.08 -1.53 0.13 0.00 -0.57 0.00 0.00 43.02 40.97 1iaq s PHE 78 CO 0.01 -0.05 0.34 -0.51 -0.10 0.00 0.00 175.22 174.92 1iaq s LEU 79 N -0.53 5.44 -0.48 -0.37 1.43 -0.07 -0.80 118.68 123.30 1iaq s LEU 79 Ca 0.07 -2.30 -0.27 0.00 -1.03 0.00 0.00 54.13 50.60 1iaq s LEU 79 Cb -0.11 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.24 1iaq s LEU 79 CO 0.00 -0.53 1.03 0.00 0.23 0.00 0.00 176.35 177.08 1iaq s VAL 81 N 4.12 4.23 0.02 0.00 1.01 -0.43 0.15 120.40 129.51 1iaq s VAL 81 Ca 0.42 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 1iaq s VAL 81 Cb -0.09 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.33 1iaq s VAL 81 CO 0.29 0.15 0.47 0.72 0.00 0.00 0.00 175.10 176.73 1iaq s PHE 82 N -1.31 -0.36 0.04 5.22 -0.12 -0.39 -3.87 117.98 117.18 1iaq s PHE 82 Ca 0.26 0.46 -0.11 0.00 -0.05 0.00 0.00 56.93 57.49 1iaq s PHE 82 Cb -0.12 0.27 -0.06 0.00 -0.63 0.00 0.00 43.02 42.48 1iaq s PHE 82 CO 0.19 -0.57 0.38 0.00 -0.05 0.00 0.00 175.22 175.17 1iaq s ALA 83 N -2.05 3.74 -1.09 1.99 0.00 -1.26 -0.48 121.76 122.60 1iaq s ALA 83 Ca -0.08 -0.36 0.20 0.00 0.00 0.00 0.00 51.96 51.72 1iaq s ALA 83 Cb -0.01 -2.27 0.87 0.00 0.00 0.00 0.00 23.12 21.70 1iaq s ALA 83 CO 0.01 0.55 1.62 0.44 0.00 0.00 0.00 175.76 178.39 1iaq n ILE 84 N 1.24 0.60 -0.78 0.00 -5.35 -0.69 -2.32 119.36 112.07 1iaq n ILE 84 Ca -0.11 0.15 0.08 0.00 -0.27 0.00 0.00 62.75 62.61 1iaq n ILE 84 Cb 0.52 -0.82 0.31 0.00 -1.74 0.00 0.00 39.64 37.92 1iaq n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1iaq n ASN 85 N -1.45 4.48 -3.54 7.28 6.94 -1.26 -0.65 115.26 127.06 1iaq n ASN 85 Ca 0.06 -2.73 -0.29 0.00 -0.02 0.00 0.00 54.58 51.60 1iaq n ASN 85 Cb 0.21 -0.55 -0.14 0.00 -2.36 0.00 0.00 39.78 36.94 1iaq n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1iaq s ASN 86 N -1.27 3.37 0.23 0.53 3.04 -0.98 -4.80 114.94 115.05 1iaq s ASN 86 Ca 0.45 -1.76 -0.07 0.00 0.04 0.00 0.00 52.86 51.53 1iaq s ASN 86 Cb 0.33 -0.46 0.27 0.00 -1.54 0.00 0.00 41.25 39.86 1iaq s ASN 86 CO 0.16 -0.38 1.85 0.74 -3.04 0.00 0.00 177.10 176.43 1iaq h THR 87 N 5.80 1.06 -0.66 -5.21 2.02 -1.87 -2.52 112.91 111.54 1iaq h THR 87 Ca -0.08 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1iaq h THR 87 Cb 0.99 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1iaq h THR 87 CO 0.37 0.17 0.35 0.50 0.37 0.00 0.00 175.52 177.28 1iaq h LYS 88 N 0.93 0.92 -0.26 6.66 3.64 -1.95 -1.33 116.57 125.18 1iaq h LYS 88 Ca 0.34 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1iaq h LYS 88 Cb 0.10 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1iaq h LYS 88 CO -0.15 0.71 0.19 0.66 -2.27 0.00 0.00 179.45 178.59 1iaq h SER 89 N 0.90 0.00 -0.08 4.20 4.64 -1.80 0.89 113.55 122.30 1iaq h SER 89 Ca 0.23 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.31 1iaq h SER 89 Cb 0.06 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1iaq h SER 89 CO -0.03 0.00 -0.90 0.15 -0.87 0.00 0.00 176.83 175.18 1iaq h PHE 90 N 0.00 1.05 0.00 4.77 3.04 -1.08 -3.09 116.94 121.63 1iaq h PHE 90 Ca 0.12 -0.52 0.00 0.00 3.98 0.00 0.00 57.97 61.56 1iaq h PHE 90 Cb 0.50 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1iaq h PHE 90 CO 0.00 1.35 0.00 0.93 -2.02 0.00 0.00 178.31 178.57 1iaq h GLU 91 N 0.45 0.00 0.00 1.11 5.08 0.07 -3.01 114.58 118.27 1iaq h GLU 91 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1iaq h GLU 91 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1iaq h GLU 91 CO 0.18 0.00 -0.47 -0.25 -1.00 0.00 0.00 179.01 177.47 1iaq n ASP 92 N -2.66 0.67 -0.16 1.42 8.00 0.09 -4.14 116.55 119.77 1iaq n ASP 92 Ca 0.01 0.18 -0.02 0.00 0.71 0.00 0.00 54.79 55.68 1iaq n ASP 92 Cb 0.27 -0.03 0.06 0.00 -0.02 0.00 0.00 41.12 41.41 1iaq n ASP 92 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1iaq h ILE 93 N 0.00 0.60 -0.94 0.53 1.08 -1.56 -0.71 117.51 116.51 1iaq h ILE 93 Ca 0.00 -0.04 0.20 0.00 -0.39 0.00 0.00 64.86 64.63 1iaq h ILE 93 Cb 0.71 0.47 -0.11 0.00 -3.07 0.00 0.00 36.82 34.81 1iaq h ILE 93 CO 0.00 0.02 0.50 -0.74 -0.69 0.00 0.00 178.15 177.24 1iaq h HIS 94 N 0.12 0.86 0.23 1.37 2.76 -1.81 0.12 115.15 118.81 1iaq h HIS 94 Ca 0.26 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1iaq h HIS 94 Cb 0.39 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1iaq h HIS 94 CO -0.32 0.09 -0.22 0.37 -1.30 0.00 0.00 177.93 176.55 1iaq h GLN 95 N 0.57 -0.47 -0.37 5.26 4.15 -1.38 -1.73 115.11 121.15 1iaq h GLN 95 Ca 0.56 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.98 1iaq h GLN 95 Cb 0.98 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1iaq h GLN 95 CO -0.45 -0.31 0.08 1.88 -1.93 0.00 0.00 178.83 178.10 1iaq h TYR 96 N -0.49 0.64 -0.88 3.99 0.05 -1.06 -1.54 116.97 117.68 1iaq h TYR 96 Ca -0.00 -0.08 0.20 0.00 0.05 0.00 0.00 58.73 58.89 1iaq h TYR 96 Cb 0.45 -0.18 -0.12 0.00 1.01 0.00 0.00 36.73 37.90 1iaq h TYR 96 CO -0.15 0.64 0.40 -0.09 -1.05 0.00 0.00 178.16 177.90 1iaq h ARG 97 N 0.46 0.44 -0.01 4.88 9.65 -0.67 0.17 114.38 129.29 1iaq h ARG 97 Ca 0.11 -0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.81 1iaq h ARG 97 Cb 0.33 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1iaq h ARG 97 CO 0.00 0.29 -0.62 0.93 2.80 0.00 0.00 179.97 183.37 1iaq h GLU 98 N 0.45 0.44 -0.34 0.20 4.39 -1.13 -0.98 114.58 117.61 1iaq h GLU 98 Ca 0.53 -0.46 0.06 0.00 0.34 0.00 0.00 59.36 59.83 1iaq h GLU 98 Cb 0.94 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1iaq h GLU 98 CO -0.48 1.11 0.24 0.37 -1.16 0.00 0.00 179.01 179.09 1iaq h GLN 99 N -0.04 0.20 0.27 2.33 4.15 -0.19 0.11 115.11 121.93 1iaq h GLN 99 Ca -0.07 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1iaq h GLN 99 Cb 1.32 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1iaq h GLN 99 CO 0.12 0.13 -0.13 0.82 -1.93 0.00 0.00 178.83 177.85 1iaq h ILE 100 N 0.20 0.00 -0.90 2.39 2.04 -0.67 -2.81 117.51 117.76 1iaq h ILE 100 Ca 0.15 -0.72 0.26 0.00 1.00 0.00 0.00 64.86 65.55 1iaq h ILE 100 Cb 0.35 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1iaq h ILE 100 CO -0.03 0.00 0.89 0.50 0.00 0.00 0.00 178.15 179.51 1iaq h LYS 101 N -1.08 0.00 0.06 2.37 3.64 -0.83 -2.15 116.57 118.58 1iaq h LYS 101 Ca -0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1iaq h LYS 101 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1iaq h LYS 101 CO 0.06 0.00 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.12 1iaq h ARG 102 N 0.00 -0.08 -1.86 1.90 2.43 -0.79 -3.26 114.38 112.72 1iaq h ARG 102 Ca 0.43 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1iaq h ARG 102 Cb 2.20 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.77 1iaq h ARG 102 CO -0.00 -0.05 0.00 1.33 -1.51 0.00 0.00 179.97 179.73 1iaq n VAL 103 N -3.36 0.73 -1.95 0.20 0.24 -0.81 -2.27 118.33 111.10 1iaq n VAL 103 Ca -0.01 -0.15 -0.05 0.00 -2.04 0.00 0.00 64.34 62.10 1iaq n VAL 103 Cb 0.03 -1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 31.31 1iaq n VAL 103 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1iaq n LYS 104 N 1.46 0.11 -1.76 7.34 5.02 -1.20 -4.51 118.16 124.62 1iaq n LYS 104 Ca 0.00 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 1iaq n LYS 104 Cb 0.22 0.48 0.00 0.00 -0.02 0.00 0.00 35.03 35.71 1iaq n LYS 104 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iaq n ASP 105 N -0.13 0.00 -3.73 4.39 8.00 -0.96 -4.81 116.55 119.31 1iaq n ASP 105 Ca -0.19 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.18 1iaq n ASP 105 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.59 1iaq n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1iaq s SER 106 N -2.35 -0.43 0.39 -2.24 0.15 -1.23 -5.03 113.70 102.97 1iaq s SER 106 Ca 0.00 0.80 0.23 0.00 0.70 0.00 0.00 55.95 57.68 1iaq s SER 106 Cb 0.00 0.78 0.35 0.00 -1.71 0.00 0.00 66.02 65.44 1iaq s SER 106 CO 0.00 -0.15 1.57 0.44 1.20 0.00 0.00 173.24 176.30 1iaq h ASP 107 N 5.93 0.00 -3.27 5.45 3.32 -1.87 -3.43 116.42 122.55 1iaq h ASP 107 Ca -0.29 -0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.24 1iaq h ASP 107 Cb 1.18 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.33 1iaq h ASP 107 CO 0.27 0.00 -0.76 1.51 -1.72 0.00 0.00 179.24 178.54 1iaq s ASP 108 N -5.94 2.86 -0.02 6.45 -4.77 -1.26 -5.08 116.67 108.91 1iaq s ASP 108 Ca 0.07 -0.80 0.06 0.00 -3.30 0.00 0.00 52.55 48.58 1iaq s ASP 108 Cb 0.06 -0.58 -0.01 0.00 -1.09 0.00 0.00 42.92 41.30 1iaq s ASP 108 CO 0.67 -0.30 -0.20 -0.69 0.70 0.00 0.00 175.17 175.35 1iaq s VAL 109 N 1.87 1.58 -0.03 2.11 1.01 -1.26 -5.09 120.40 120.59 1iaq s VAL 109 Ca -0.01 -0.84 -0.37 0.00 0.00 0.00 0.00 61.98 60.76 1iaq s VAL 109 Cb -0.17 -1.32 -0.16 0.00 0.00 0.00 0.00 36.38 34.73 1iaq s VAL 109 CO -0.08 0.45 1.50 -2.65 0.00 0.00 0.00 175.10 174.32 1iaq n PRO 110 N 2.71 1.26 -3.58 2.72 -0.02 -1.26 -4.90 135.00 131.92 1iaq n PRO 110 Ca -0.16 0.46 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 1iaq n PRO 110 Cb 0.53 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1iaq n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1iaq s MET 111 N 1.60 0.51 -0.03 -0.52 0.00 -1.26 -1.07 119.30 118.53 1iaq s MET 111 Ca 0.89 0.09 0.02 0.00 0.00 0.00 0.00 55.69 56.69 1iaq s MET 111 Cb -0.96 0.24 0.01 0.00 0.00 0.00 0.00 34.83 34.12 1iaq s MET 111 CO 0.52 -0.16 -0.06 0.08 0.00 0.00 0.00 175.02 175.40 1iaq s VAL 112 N -1.24 0.56 -0.03 10.11 1.01 0.02 -4.23 120.40 126.61 1iaq s VAL 112 Ca 0.01 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 1iaq s VAL 112 Cb -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1iaq s VAL 112 CO -0.01 0.21 0.81 -0.22 0.00 0.00 0.00 175.10 175.89 1iaq s LEU 113 N 0.53 4.35 -0.10 3.92 2.96 -0.08 -1.43 118.68 128.83 1iaq s LEU 113 Ca -0.07 1.39 0.02 0.00 -0.22 0.00 0.00 54.13 55.25 1iaq s LEU 113 Cb -0.11 -3.28 0.01 0.00 0.50 0.00 0.00 46.19 43.31 1iaq s LEU 113 CO 0.00 -0.16 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.03 1iaq s VAL 114 N 0.83 1.47 -0.51 1.68 1.01 0.12 -1.63 120.40 123.37 1iaq s VAL 114 Ca 0.43 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1iaq s VAL 114 Cb -0.19 -1.35 0.12 0.00 0.00 0.00 0.00 36.38 34.96 1iaq s VAL 114 CO 0.22 0.44 0.44 -0.83 0.00 0.00 0.00 175.10 175.37 1iaq s GLY 115 N 0.96 2.07 0.66 4.51 0.00 -0.40 -1.26 107.32 113.85 1iaq s GLY 115 Ca -0.07 -2.47 -0.06 0.00 0.00 0.00 0.00 44.72 42.12 1iaq s GLY 115 CO -0.01 1.15 0.96 0.21 0.00 0.00 0.00 173.10 175.41 1iaq s ASN 116 N 3.18 5.02 -1.07 1.64 2.47 0.37 -1.17 114.94 125.39 1iaq s ASN 116 Ca 0.04 0.46 -0.03 0.00 0.42 0.00 0.00 52.86 53.75 1iaq s ASN 116 Cb -0.28 -1.20 0.00 0.00 -1.45 0.00 0.00 41.25 38.32 1iaq s ASN 116 CO 0.02 -1.44 0.37 0.29 -3.72 0.00 0.00 177.10 172.62 1iaq n LYS 117 N -2.79 -3.07 0.00 0.43 5.02 -0.30 -1.70 118.16 115.74 1iaq n LYS 117 Ca 0.07 0.62 0.02 0.00 -2.02 0.00 0.00 58.31 57.00 1iaq n LYS 117 Cb 0.60 -4.87 0.10 0.00 -0.02 0.00 0.00 35.03 30.83 1iaq n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iaq n ASP 119 N -0.60 1.16 -4.96 0.00 5.75 -1.26 -4.94 116.55 111.71 1iaq n ASP 119 Ca 0.03 -0.97 -0.22 0.00 -0.01 0.00 0.00 54.79 53.61 1iaq n ASP 119 Cb 0.01 0.19 0.03 0.00 -1.03 0.00 0.00 41.12 40.32 1iaq n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1iaq s LEU 120 N -2.51 3.36 -0.01 -2.12 1.43 -1.03 -5.01 118.68 112.80 1iaq s LEU 120 Ca 0.23 0.11 0.12 0.00 -1.03 0.00 0.00 54.13 53.56 1iaq s LEU 120 Cb 0.19 -2.98 -0.15 0.00 0.03 0.00 0.00 46.19 43.28 1iaq s LEU 120 CO 0.53 -1.03 0.40 0.00 0.23 0.00 0.00 176.35 176.48 1iaq n ALA 121 N -2.29 3.10 -2.13 4.21 0.00 -1.26 -4.69 120.51 117.45 1iaq n ALA 121 Ca 0.06 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 1iaq n ALA 121 Cb 0.59 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1iaq n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iaq n ALA 122 N -1.53 5.13 -2.69 0.00 0.00 -1.26 -4.94 120.51 115.22 1iaq n ALA 122 Ca 0.00 -4.05 -0.36 0.00 0.00 0.00 0.00 53.44 49.03 1iaq n ALA 122 Cb 0.23 -3.32 -0.09 0.00 0.00 0.00 0.00 19.45 16.28 1iaq n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1iaq s ARG 123 N 2.23 4.12 0.00 0.00 3.52 -1.26 -4.10 118.95 123.46 1iaq s ARG 123 Ca 0.45 -0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.90 1iaq s ARG 123 Cb 0.10 -3.50 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1iaq s ARG 123 CO -0.03 0.13 0.67 0.25 -0.81 0.00 0.00 175.30 175.51 1iaq n THR 124 N 4.03 0.00 -3.93 4.11 -2.24 0.18 -4.93 114.28 111.49 1iaq n THR 124 Ca -0.15 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.84 1iaq n THR 124 Cb 0.52 1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 69.71 1iaq n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1iaq s VAL 125 N -0.53 1.43 0.75 2.28 1.01 -1.07 -4.82 120.40 119.45 1iaq s VAL 125 Ca 0.07 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 1iaq s VAL 125 Cb 0.05 -1.68 0.05 0.00 0.00 0.00 0.00 36.38 34.80 1iaq s VAL 125 CO 0.08 -0.04 1.17 -1.61 0.00 0.00 0.00 175.10 174.70 1iaq s GLU 126 N 1.45 2.12 0.16 2.72 0.41 -1.26 -4.93 118.70 119.37 1iaq s GLU 126 Ca -0.04 1.61 -0.07 0.00 -0.41 0.00 0.00 54.97 56.06 1iaq s GLU 126 Cb -0.18 -1.85 0.02 0.00 -1.78 0.00 0.00 34.13 30.34 1iaq s GLU 126 CO -0.07 -1.82 1.46 0.77 -0.49 0.00 0.00 175.26 175.11 1iaq h SER 127 N -0.53 0.79 -0.66 -0.19 0.02 -2.00 -2.37 113.55 108.61 1iaq h SER 127 Ca -0.46 -0.42 0.17 0.00 -0.84 0.00 0.00 61.79 60.23 1iaq h SER 127 Cb 1.28 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 1iaq h SER 127 CO 0.49 1.18 0.46 -0.09 -1.14 0.00 0.00 176.83 177.74 1iaq h ARG 128 N 0.54 0.13 -0.08 3.45 9.65 -1.99 0.27 114.38 126.34 1iaq h ARG 128 Ca 0.01 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1iaq h ARG 128 Cb 1.13 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1iaq h ARG 128 CO 0.11 0.08 -0.15 1.96 2.80 0.00 0.00 179.97 184.78 1iaq h GLN 129 N 0.13 0.24 -0.38 0.20 4.20 -1.79 -2.75 115.11 114.96 1iaq h GLN 129 Ca 0.32 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 1iaq h GLN 129 Cb 1.07 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1iaq h GLN 129 CO -0.04 0.74 -0.30 0.00 -0.67 0.00 0.00 178.83 178.55 1iaq h ALA 130 N 0.50 0.74 0.08 3.87 0.00 -0.93 -2.95 119.26 120.58 1iaq h ALA 130 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1iaq h ALA 130 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1iaq h ALA 130 CO 0.03 0.66 -0.10 1.96 0.00 0.00 0.00 179.25 181.80 1iaq h GLN 131 N 0.70 -0.21 -0.50 0.00 4.20 -0.61 0.63 115.11 119.33 1iaq h GLN 131 Ca 0.08 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.90 1iaq h GLN 131 Cb 0.85 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.59 1iaq h GLN 131 CO 0.07 -0.14 -0.04 -0.44 -0.67 0.00 0.00 178.83 177.61 1iaq h ASP 132 N -0.22 -0.30 -0.46 1.46 3.45 -1.47 0.49 116.42 119.37 1iaq h ASP 132 Ca 0.01 0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 1iaq h ASP 132 Cb 0.22 0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.22 1iaq h ASP 132 CO -0.04 -0.11 0.26 0.25 -1.57 0.00 0.00 179.24 178.03 1iaq h LEU 133 N 0.07 0.58 -0.34 1.55 5.85 -1.27 -1.34 115.31 120.41 1iaq h LEU 133 Ca 0.25 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1iaq h LEU 133 Cb 0.38 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1iaq h LEU 133 CO -0.45 0.47 -0.09 0.00 -0.34 0.00 0.00 178.44 178.03 1iaq h ALA 134 N 1.63 0.47 -0.69 1.25 0.00 0.11 -2.71 119.26 119.32 1iaq h ALA 134 Ca 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1iaq h ALA 134 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1iaq h ALA 134 CO -0.03 0.32 0.33 0.00 0.00 0.00 0.00 179.25 179.87 1iaq h ARG 135 N 0.45 1.00 0.00 0.00 3.08 -0.58 0.66 114.38 118.99 1iaq h ARG 135 Ca 0.09 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1iaq h ARG 135 Cb 0.59 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1iaq h ARG 135 CO 0.03 0.79 0.00 -1.13 -1.07 0.00 0.00 179.97 178.59 1iaq n SER 136 N -4.44 0.49 -0.11 7.04 3.41 -0.54 -2.70 113.62 116.77 1iaq n SER 136 Ca 0.05 0.67 -0.14 0.00 -0.26 0.00 0.00 58.87 59.19 1iaq n SER 136 Cb 0.13 -0.76 -0.11 0.00 -0.26 0.00 0.00 64.21 63.22 1iaq n SER 136 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1iaq n TYR 137 N -2.10 0.00 -0.03 7.33 4.01 -0.12 -5.02 117.16 121.24 1iaq n TYR 137 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1iaq n TYR 137 Cb 0.13 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 38.29 1iaq n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1iaq n GLY 138 N 2.35 0.68 3.91 2.72 0.00 0.21 -5.05 105.19 110.01 1iaq n GLY 138 Ca -0.38 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1iaq n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iaq s ILE 139 N -2.03 4.93 0.58 -0.61 -4.36 -1.12 -5.02 121.20 113.56 1iaq s ILE 139 Ca 0.00 -1.15 -0.16 0.00 -0.26 0.00 0.00 60.65 59.09 1iaq s ILE 139 Cb 0.00 -3.67 -0.05 0.00 1.25 0.00 0.00 42.46 40.00 1iaq s ILE 139 CO 0.00 -0.33 1.04 -2.84 0.24 0.00 0.00 174.94 173.05 1iaq s PRO 140 N -3.88 3.49 -0.09 0.37 0.02 -1.26 -4.54 135.00 129.11 1iaq s PRO 140 Ca 0.33 1.11 0.04 0.00 0.02 0.00 0.00 61.00 62.50 1iaq s PRO 140 Cb -0.09 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1iaq s PRO 140 CO 0.27 -0.66 -0.21 -0.47 -0.33 0.00 0.00 177.00 175.60 1iaq s TYR 141 N -2.55 2.30 0.00 6.54 5.04 -1.26 -0.91 117.35 126.51 1iaq s TYR 141 Ca 0.62 -0.92 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 1iaq s TYR 141 Cb -0.14 -1.56 -0.00 0.00 0.35 0.00 0.00 41.96 40.61 1iaq s TYR 141 CO 0.37 -0.38 -0.01 0.42 -1.34 0.00 0.00 175.55 174.61 1iaq s ILE 142 N 0.39 0.05 -0.15 3.14 1.01 -0.65 -5.00 121.20 120.00 1iaq s ILE 142 Ca -0.17 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 1iaq s ILE 142 Cb -0.17 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 1iaq s ILE 142 CO 0.08 -0.08 0.09 -1.61 0.00 0.00 0.00 174.94 173.42 1iaq s GLU 143 N -0.26 3.66 0.08 2.79 2.02 -1.26 -1.28 118.70 124.45 1iaq s GLU 143 Ca -0.02 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.72 1iaq s GLU 143 Cb -0.02 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1iaq s GLU 143 CO -0.00 0.53 -0.06 0.95 0.02 0.00 0.00 175.26 176.70 1iaq s THR 144 N -0.34 0.54 -0.28 3.63 -4.23 -0.32 -4.58 115.64 110.05 1iaq s THR 144 Ca 0.10 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 1iaq s THR 144 Cb -0.12 -1.51 0.09 0.00 1.34 0.00 0.00 72.50 72.31 1iaq s THR 144 CO 0.01 -0.86 0.08 -0.55 -0.54 0.00 0.00 174.62 172.77 1iaq s SER 145 N -2.84 3.79 0.00 3.99 0.15 -0.54 -1.16 113.70 117.08 1iaq s SER 145 Ca 0.08 -1.45 0.05 0.00 0.70 0.00 0.00 55.95 55.34 1iaq s SER 145 Cb 0.04 -0.78 0.25 0.00 -1.71 0.00 0.00 66.02 63.82 1iaq s SER 145 CO -0.06 -0.39 1.09 0.00 1.20 0.00 0.00 173.24 175.08 1iaq n ALA 146 N 4.91 1.35 -0.06 5.45 0.00 -1.26 -0.70 120.51 130.20 1iaq n ALA 146 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1iaq n ALA 146 Cb 0.43 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 1iaq n ALA 146 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1iaq h LYS 147 N 0.00 0.00 -0.45 0.00 3.64 -1.93 -3.36 116.57 114.47 1iaq h LYS 147 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1iaq h LYS 147 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1iaq h LYS 147 CO 0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 1iaq n THR 148 N -4.50 0.26 -0.35 1.00 -2.24 -1.13 -4.71 114.28 102.61 1iaq n THR 148 Ca -0.04 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1iaq n THR 148 Cb 0.16 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1iaq n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1iaq n ARG 149 N -0.07 -0.02 -1.72 -0.78 0.63 0.12 -4.88 116.66 109.94 1iaq n ARG 149 Ca 0.04 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.55 1iaq n ARG 149 Cb 0.22 -3.47 -0.02 0.00 0.45 0.00 0.00 32.46 29.63 1iaq n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1iaq n GLN 150 N -1.10 2.58 0.00 -0.14 7.27 -1.12 -2.25 117.38 122.63 1iaq n GLN 150 Ca 0.00 0.92 0.00 0.00 0.07 0.00 0.00 57.00 57.99 1iaq n GLN 150 Cb 0.00 -2.70 0.00 0.00 2.41 0.00 0.00 30.24 29.96 1iaq n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iaq n GLY 151 N 2.58 1.28 0.46 1.69 0.00 -1.26 -1.47 105.19 108.47 1iaq n GLY 151 Ca 0.11 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.41 1iaq n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iaq h VAL 152 N 0.00 0.52 0.05 1.61 2.07 -1.75 -1.66 116.25 117.09 1iaq h VAL 152 Ca 0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1iaq h VAL 152 Cb 0.00 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1iaq h VAL 152 CO 0.00 0.00 -0.87 -0.33 0.02 0.00 0.00 177.57 176.39 1iaq h GLU 153 N 0.00 0.10 -0.61 1.57 5.08 -1.87 -3.27 114.58 115.58 1iaq h GLU 153 Ca 0.41 -0.18 0.12 0.00 -1.00 0.00 0.00 59.36 58.72 1iaq h GLU 153 Cb 1.69 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.91 1iaq h GLU 153 CO -0.00 1.08 0.06 -0.44 -1.00 0.00 0.00 179.01 178.71 1iaq h ASP 154 N -0.73 -0.15 0.12 1.42 3.45 -1.77 0.56 116.42 119.33 1iaq h ASP 154 Ca -0.21 0.14 0.01 0.00 0.43 0.00 0.00 57.03 57.40 1iaq h ASP 154 Cb 1.38 0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 40.33 1iaq h ASP 154 CO -0.03 -0.06 -0.50 0.00 -1.57 0.00 0.00 179.24 177.08 1iaq h ALA 155 N 1.53 -0.98 -0.73 3.45 0.00 -1.48 0.20 119.26 121.26 1iaq h ALA 155 Ca 0.32 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1iaq h ALA 155 Cb 0.51 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1iaq h ALA 155 CO -0.48 -1.10 0.23 0.74 0.00 0.00 0.00 179.25 178.64 1iaq h PHE 156 N -0.72 1.16 0.00 0.00 -1.00 -1.45 -2.28 116.94 112.65 1iaq h PHE 156 Ca -0.01 -0.11 -0.11 0.00 2.81 0.00 0.00 57.97 60.55 1iaq h PHE 156 Cb 0.72 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 1iaq h PHE 156 CO -0.44 0.92 -0.54 1.88 -1.61 0.00 0.00 178.31 178.51 1iaq h TYR 157 N 1.08 0.00 -0.27 -0.55 0.05 -0.75 -2.59 116.97 113.94 1iaq h TYR 157 Ca 0.24 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.87 1iaq h TYR 157 Cb 0.30 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 1iaq h TYR 157 CO 0.02 0.54 -0.38 1.15 -1.05 0.00 0.00 178.16 178.45 1iaq h THR 158 N 0.00 1.30 -0.58 -2.88 2.02 -0.42 -1.66 112.91 110.69 1iaq h THR 158 Ca -0.01 -1.57 0.05 0.00 0.77 0.00 0.00 66.41 65.66 1iaq h THR 158 Cb 1.10 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1iaq h THR 158 CO 0.07 0.50 0.38 0.25 0.37 0.00 0.00 175.52 177.09 1iaq h LEU 159 N 0.48 0.51 0.02 2.58 5.85 -1.24 0.11 115.31 123.63 1iaq h LEU 159 Ca 0.03 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1iaq h LEU 159 Cb 0.97 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1iaq h LEU 159 CO 0.09 0.34 -0.01 0.58 -0.34 0.00 0.00 178.44 179.10 1iaq h VAL 160 N 0.59 1.32 -0.24 1.05 2.07 -1.13 -2.13 116.25 117.78 1iaq h VAL 160 Ca 0.24 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.77 1iaq h VAL 160 Cb 0.22 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1iaq h VAL 160 CO -0.07 0.27 0.17 0.03 0.02 0.00 0.00 177.57 177.99 1iaq h ARG 161 N -0.48 0.05 -0.16 1.57 3.08 -0.79 0.14 114.38 117.78 1iaq h ARG 161 Ca -0.00 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1iaq h ARG 161 Cb 0.46 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1iaq h ARG 161 CO 0.00 0.03 -0.49 0.93 -1.07 0.00 0.00 179.97 179.37 1iaq h GLU 162 N 0.05 0.43 0.00 0.04 4.39 -0.81 -2.82 114.58 115.87 1iaq h GLU 162 Ca 0.11 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 1iaq h GLU 162 Cb 0.38 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1iaq h GLU 162 CO -0.01 0.83 -0.29 0.82 -1.16 0.00 0.00 179.01 179.20 1iaq h ILE 163 N 0.34 0.61 0.00 3.13 2.04 -0.09 -2.71 117.51 120.83 1iaq h ILE 163 Ca 0.02 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1iaq h ILE 163 Cb 0.99 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1iaq h ILE 163 CO 0.09 0.29 0.00 0.54 0.00 0.00 0.00 178.15 179.06 1iaq n ARG 164 N -3.32 0.08 -0.15 2.37 1.74 -0.56 -2.02 116.66 114.79 1iaq n ARG 164 Ca 0.01 0.25 0.03 0.00 -0.77 0.00 0.00 57.85 57.37 1iaq n ARG 164 Cb 0.53 -1.63 0.10 0.00 -1.02 0.00 0.00 32.46 30.44 1iaq n ARG 164 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1iaq n GLN 165 N -1.78 1.68 0.00 5.56 1.13 -1.02 -5.10 117.38 117.85 1iaq n GLN 165 Ca 0.04 -0.79 0.00 0.00 -1.94 0.00 0.00 57.00 54.31 1iaq n GLN 165 Cb 0.24 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.26 1iaq n GLN 165 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34