#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1igj s GLN 3 N 0.00 1.81 -0.04 5.55 1.11 -1.08 -4.94 119.66 122.06 1igj s GLN 3 Ca 0.00 -1.12 0.04 0.00 0.01 0.00 0.00 55.36 54.29 1igj s GLN 3 Cb 0.00 -2.04 -0.00 0.00 -1.01 0.00 0.00 33.01 29.96 1igj s GLN 3 CO 0.00 0.51 -0.17 -0.51 0.01 0.00 0.00 175.29 175.13 1igj s LEU 4 N -1.54 1.92 -0.15 2.90 1.43 -1.26 -1.53 118.68 120.45 1igj s LEU 4 Ca 0.14 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 1igj s LEU 4 Cb -0.10 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1igj s LEU 4 CO 0.05 0.15 0.06 -1.10 0.23 0.00 0.00 176.35 175.74 1igj s GLN 5 N 0.02 3.63 0.37 1.70 -1.52 0.41 -4.60 119.66 119.67 1igj s GLN 5 Ca -0.03 -0.33 0.03 0.00 -1.95 0.00 0.00 55.36 53.09 1igj s GLN 5 Cb -0.11 -3.10 -0.04 0.00 -0.22 0.00 0.00 33.01 29.54 1igj s GLN 5 CO 0.02 0.47 0.10 -0.65 -0.25 0.00 0.00 175.29 174.98 1igj s GLN 6 N -0.19 1.80 0.82 2.91 -0.21 -1.26 -0.82 119.66 122.72 1igj s GLN 6 Ca 0.07 -2.06 -0.09 0.00 0.02 0.00 0.00 55.36 53.30 1igj s GLN 6 Cb -0.12 -0.68 0.14 0.00 1.00 0.00 0.00 33.01 33.36 1igj s GLN 6 CO 0.01 -0.37 1.14 -1.54 -2.12 0.00 0.00 175.29 172.42 1igj s SER 7 N -3.55 3.91 0.98 5.90 1.04 -1.20 -4.94 113.70 115.83 1igj s SER 7 Ca 0.29 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.67 1igj s SER 7 Cb 0.05 -0.37 0.18 0.00 0.10 0.00 0.00 66.02 65.97 1igj s SER 7 CO 0.15 -2.19 1.12 -0.83 0.98 0.00 0.00 173.24 172.47 1igj s GLY 8 N -4.76 1.57 0.45 7.32 0.00 -1.26 -4.75 107.32 105.90 1igj s GLY 8 Ca 0.68 -0.52 -0.24 0.00 0.00 0.00 0.00 44.72 44.64 1igj s GLY 8 CO 0.48 0.10 1.25 -1.55 0.00 0.00 0.00 173.10 173.38 1igj n PRO 9 N -4.03 1.79 -3.76 2.90 -0.04 -1.26 -4.71 135.00 125.88 1igj n PRO 9 Ca 0.07 0.64 -0.30 0.00 -0.04 0.00 0.00 63.50 63.87 1igj n PRO 9 Cb 0.58 -2.38 -0.15 0.00 -0.04 0.00 0.00 33.50 31.52 1igj n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1igj s GLU 10 N -2.34 0.93 -0.14 0.54 0.41 0.38 -4.98 118.70 113.50 1igj s GLU 10 Ca 0.64 -1.37 -0.29 0.00 -0.41 0.00 0.00 54.97 53.54 1igj s GLU 10 Cb -0.49 -2.21 -0.01 0.00 -1.78 0.00 0.00 34.13 29.64 1igj s GLU 10 CO 0.56 -1.02 0.98 -0.51 -0.49 0.00 0.00 175.26 174.78 1igj s LEU 11 N 1.26 4.21 0.25 1.80 1.43 -1.25 -1.92 118.68 124.46 1igj s LEU 11 Ca 0.12 1.44 -0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1igj s LEU 11 Cb -0.19 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 1igj s LEU 11 CO -0.18 -0.47 0.33 0.68 0.23 0.00 0.00 176.35 176.95 1igj s VAL 12 N 2.22 0.00 0.11 -1.59 -7.23 -0.38 -4.96 120.40 108.57 1igj s VAL 12 Ca 0.46 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 58.97 1igj s VAL 12 Cb -0.17 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1igj s VAL 12 CO 0.15 0.00 0.05 -0.75 -0.31 0.00 0.00 175.10 174.24 1igj s LYS 13 N -3.85 2.70 0.44 4.82 2.36 -1.24 -0.76 119.74 124.20 1igj s LYS 13 Ca 0.31 -0.84 -0.24 0.00 -2.55 0.00 0.00 55.97 52.66 1igj s LYS 13 Cb 0.02 -2.59 -0.10 0.00 -1.05 0.00 0.00 37.83 34.11 1igj s LYS 13 CO 0.13 0.53 1.02 -0.35 1.55 0.00 0.00 175.35 178.23 1igj n PRO 14 N 0.26 1.34 -0.11 4.03 -0.04 -1.26 -3.07 135.00 136.15 1igj n PRO 14 Ca -0.09 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1igj n PRO 14 Cb 0.53 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1igj n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1igj n GLY 15 N 1.17 0.53 3.82 0.55 0.00 0.09 -4.94 105.19 106.41 1igj n GLY 15 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1igj n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1igj s ALA 16 N -2.25 2.96 -0.54 4.61 0.00 -1.18 -4.48 121.76 120.88 1igj s ALA 16 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.39 1igj s ALA 16 Cb 0.00 -3.18 0.14 0.00 0.00 0.00 0.00 23.12 20.08 1igj s ALA 16 CO 0.00 -0.22 0.31 -1.12 0.00 0.00 0.00 175.76 174.72 1igj s SER 17 N -2.46 4.21 0.42 0.00 0.01 -1.25 -1.04 113.70 113.58 1igj s SER 17 Ca 0.63 -3.12 -0.08 0.00 1.31 0.00 0.00 55.95 54.68 1igj s SER 17 Cb -0.12 -1.49 -0.05 0.00 0.21 0.00 0.00 66.02 64.57 1igj s SER 17 CO 0.23 -0.20 0.76 0.54 0.41 0.00 0.00 173.24 174.97 1igj s VAL 18 N -0.41 4.84 -0.01 3.43 0.11 0.22 -4.92 120.40 123.67 1igj s VAL 18 Ca 0.19 0.45 -0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1igj s VAL 18 Cb -0.20 -3.77 0.01 0.00 -1.53 0.00 0.00 36.38 30.89 1igj s VAL 18 CO -0.04 -0.60 0.01 -0.60 -3.33 0.00 0.00 175.10 170.54 1igj s ARG 19 N -4.08 -0.00 0.16 1.54 3.52 -1.26 -0.86 118.95 117.98 1igj s ARG 19 Ca 0.49 0.05 0.07 0.00 -0.13 0.00 0.00 55.73 56.22 1igj s ARG 19 Cb -0.10 -0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.19 1igj s ARG 19 CO 0.35 -0.04 -0.15 -1.64 -0.81 0.00 0.00 175.30 173.01 1igj s MET 20 N 0.26 1.19 0.10 5.12 -1.94 -0.32 -4.99 119.30 118.72 1igj s MET 20 Ca -0.02 -1.42 0.02 0.00 -1.71 0.00 0.00 55.69 52.56 1igj s MET 20 Cb -0.03 -1.05 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 1igj s MET 20 CO -0.01 0.19 -0.07 -1.54 -0.01 0.00 0.00 175.02 173.58 1igj s SER 21 N -2.88 1.23 -0.09 3.03 1.04 -1.26 -1.10 113.70 113.67 1igj s SER 21 Ca 0.16 -0.97 -0.03 0.00 0.48 0.00 0.00 55.95 55.59 1igj s SER 21 Cb -0.03 0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.21 1igj s SER 21 CO 0.05 -0.42 0.08 0.00 0.98 0.00 0.00 173.24 173.93 1igj s LYS 23 N 2.17 3.06 -0.02 0.00 -2.85 0.00 -0.03 119.74 122.07 1igj s LYS 23 Ca 0.04 -0.81 -0.01 0.00 -1.00 0.00 0.00 55.97 54.18 1igj s LYS 23 Cb -0.13 -2.56 -0.04 0.00 -2.06 0.00 0.00 37.83 33.04 1igj s LYS 23 CO -0.05 -0.11 0.09 0.45 0.10 0.00 0.00 175.35 175.82 1igj s SER 24 N 1.08 5.75 -0.34 0.03 0.15 -1.06 -0.45 113.70 118.86 1igj s SER 24 Ca -0.00 0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.87 1igj s SER 24 Cb -0.14 -1.68 0.16 0.00 -1.71 0.00 0.00 66.02 62.65 1igj s SER 24 CO -0.07 0.29 0.45 -0.44 1.20 0.00 0.00 173.24 174.67 1igj s SER 25 N -1.61 0.20 0.00 5.45 0.01 -0.58 -4.80 113.70 112.37 1igj s SER 25 Ca 0.22 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1igj s SER 25 Cb -0.12 1.12 0.00 0.00 0.21 0.00 0.00 66.02 67.23 1igj s SER 25 CO 0.12 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1igj n GLY 26 N 4.82 -1.68 3.43 3.44 0.00 -1.25 -2.63 105.19 111.32 1igj n GLY 26 Ca 0.06 0.59 -0.44 0.00 0.00 0.00 0.00 46.02 46.22 1igj n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1igj s TYR 27 N 0.00 3.24 -0.05 1.61 2.02 -1.26 -4.89 117.35 118.01 1igj s TYR 27 Ca 0.00 -1.49 0.06 0.00 -0.37 0.00 0.00 57.07 55.27 1igj s TYR 27 Cb 0.00 -4.18 -0.01 0.00 -0.40 0.00 0.00 41.96 37.37 1igj s TYR 27 CO 0.00 -1.39 -0.22 0.42 -1.57 0.00 0.00 175.55 172.79 1igj s ILE 28 N 2.21 1.83 0.00 2.71 1.01 -1.26 -4.69 121.20 123.01 1igj s ILE 28 Ca 0.29 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1igj s ILE 28 Cb -0.06 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1igj s ILE 28 CO -0.09 0.51 0.00 0.49 0.00 0.00 0.00 174.94 175.86 1igj n PHE 29 N 2.92 0.00 -2.15 3.97 3.72 -1.26 -4.92 117.46 119.74 1igj n PHE 29 Ca -0.17 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.80 1igj n PHE 29 Cb 0.52 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.83 1igj n PHE 29 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1igj s THR 30 N -0.43 3.68 -1.36 4.37 2.01 -1.26 -4.85 115.64 117.79 1igj s THR 30 Ca 0.00 0.71 -0.12 0.00 0.31 0.00 0.00 61.69 62.59 1igj s THR 30 Cb 0.00 -3.85 0.10 0.00 0.01 0.00 0.00 72.50 68.76 1igj s THR 30 CO 0.00 -0.50 2.01 0.47 -0.69 0.00 0.00 174.62 175.91 1igj n ASP 31 N 9.35 4.53 -3.24 3.53 8.00 -1.26 -4.88 116.55 132.59 1igj n ASP 31 Ca 0.20 -2.97 -0.10 0.00 0.71 0.00 0.00 54.79 52.63 1igj n ASP 31 Cb 0.47 -1.58 0.05 0.00 -0.02 0.00 0.00 41.12 40.03 1igj n ASP 31 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1igj n PHE 32 N 5.22 -2.98 -4.51 1.24 -1.74 -1.26 -4.93 117.46 108.50 1igj n PHE 32 Ca 0.46 -0.87 -0.21 0.00 -0.56 0.00 0.00 57.45 56.26 1igj n PHE 32 Cb 0.38 -0.30 -0.14 0.00 1.52 0.00 0.00 39.48 40.94 1igj n PHE 32 CO 0.00 0.00 0.00 0.71 -0.56 0.00 0.00 176.76 176.91 1igj s TYR 33 N -1.03 1.21 -0.21 2.97 2.02 -0.92 -4.07 117.35 117.31 1igj s TYR 33 Ca 0.29 -0.27 -0.18 0.00 -0.37 0.00 0.00 57.07 56.54 1igj s TYR 33 Cb -0.02 -0.76 -0.03 0.00 -0.40 0.00 0.00 41.96 40.75 1igj s TYR 33 CO 0.19 0.00 0.50 1.41 -1.57 0.00 0.00 175.55 176.08 1igj s MET 34 N -0.62 4.16 0.09 -0.62 1.75 0.09 -1.22 119.30 122.94 1igj s MET 34 Ca 0.04 0.36 0.07 0.00 -1.25 0.00 0.00 55.69 54.91 1igj s MET 34 Cb -0.06 -3.58 -0.04 0.00 2.84 0.00 0.00 34.83 33.99 1igj s MET 34 CO 0.00 -0.17 -0.13 -0.80 -0.65 0.00 0.00 175.02 173.26 1igj s ASN 35 N 1.22 4.18 -0.05 1.11 -0.87 0.24 -0.30 114.94 120.47 1igj s ASN 35 Ca 0.23 -0.43 0.02 0.00 -1.57 0.00 0.00 52.86 51.10 1igj s ASN 35 Cb -0.15 -0.73 0.02 0.00 -0.02 0.00 0.00 41.25 40.36 1igj s ASN 35 CO 0.09 0.19 -0.08 0.26 -2.57 0.00 0.00 177.10 175.00 1igj s TRP 36 N -1.14 1.00 0.03 2.20 0.52 -0.08 -0.78 118.94 120.69 1igj s TRP 36 Ca 0.19 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 56.01 1igj s TRP 36 Cb -0.11 -0.79 -0.02 0.00 -1.15 0.00 0.00 33.47 31.40 1igj s TRP 36 CO 0.11 -0.20 -0.06 0.08 0.02 0.00 0.00 176.95 176.89 1igj s VAL 37 N 0.72 0.43 -0.11 4.03 1.01 -0.56 -1.15 120.40 124.77 1igj s VAL 37 Ca -0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1igj s VAL 37 Cb -0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1igj s VAL 37 CO 0.01 -0.28 0.02 -0.60 0.00 0.00 0.00 175.10 174.26 1igj s ARG 38 N -1.21 3.27 -0.19 2.72 3.52 0.39 -0.36 118.95 127.10 1igj s ARG 38 Ca -0.08 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 1igj s ARG 38 Cb -0.08 -2.92 0.03 0.00 -1.56 0.00 0.00 34.95 30.42 1igj s ARG 38 CO 0.00 0.59 -0.18 -1.14 -0.81 0.00 0.00 175.30 173.76 1igj s GLN 39 N -0.57 2.83 0.00 5.12 0.74 -0.60 -1.77 119.66 125.41 1igj s GLN 39 Ca 0.10 -0.89 0.00 0.00 0.05 0.00 0.00 55.36 54.62 1igj s GLN 39 Cb -0.12 -2.58 0.00 0.00 1.10 0.00 0.00 33.01 31.41 1igj s GLN 39 CO 0.02 -0.27 0.00 0.43 -0.55 0.00 0.00 175.29 174.93 1igj n SER 40 N 4.60 -0.90 -4.55 6.67 7.64 0.26 -1.83 113.62 125.51 1igj n SER 40 Ca -0.20 -0.32 -0.41 0.00 1.01 0.00 0.00 58.87 58.95 1igj n SER 40 Cb 0.49 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 1igj n SER 40 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1igj s HIS 41 N -0.77 2.30 0.00 1.43 0.09 -1.26 -4.10 115.29 112.98 1igj s HIS 41 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 55.06 55.05 1igj s HIS 41 Cb 0.00 -4.62 0.00 0.00 -0.00 0.00 0.00 32.58 27.96 1igj s HIS 41 CO 0.00 -2.05 0.00 0.41 -0.00 0.00 0.00 174.74 173.10 1igj n GLY 42 N 5.36 2.74 2.02 -2.22 0.00 -1.26 -4.75 105.19 107.09 1igj n GLY 42 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1igj n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1igj n LYS 43 N 0.00 0.00 -0.79 1.61 2.85 -1.26 -5.15 118.16 115.42 1igj n LYS 43 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 1igj n LYS 43 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1igj n LYS 43 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1igj n SER 44 N -3.16 -1.59 -4.00 -5.58 7.64 -1.26 -4.40 113.62 101.27 1igj n SER 44 Ca 0.00 0.52 -0.19 0.00 1.01 0.00 0.00 58.87 60.21 1igj n SER 44 Cb 0.00 -0.54 -0.15 0.00 -1.01 0.00 0.00 64.21 62.51 1igj n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1igj s LEU 45 N 2.50 1.91 0.01 -3.43 1.43 -1.26 -0.58 118.68 119.27 1igj s LEU 45 Ca 0.36 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1igj s LEU 45 Cb -0.41 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 1igj s LEU 45 CO 0.37 0.08 -0.13 -1.81 0.23 0.00 0.00 176.35 175.09 1igj s ASP 46 N -0.03 1.54 0.09 2.29 1.01 -0.73 -4.99 116.67 115.86 1igj s ASP 46 Ca 0.01 -0.34 -0.20 0.00 0.71 0.00 0.00 52.55 52.73 1igj s ASP 46 Cb -0.05 -0.13 -0.07 0.00 1.01 0.00 0.00 42.92 43.68 1igj s ASP 46 CO -0.00 0.09 0.60 -0.47 0.21 0.00 0.00 175.17 175.60 1igj s TYR 47 N -0.57 3.81 -0.19 4.23 5.04 -1.26 -0.46 117.35 127.94 1igj s TYR 47 Ca 0.03 1.31 -0.10 0.00 -2.44 0.00 0.00 57.07 55.87 1igj s TYR 47 Cb -0.06 -2.53 -0.08 0.00 0.35 0.00 0.00 41.96 39.64 1igj s TYR 47 CO 0.00 0.56 -0.25 -0.89 -1.34 0.00 0.00 175.55 173.64 1igj n ILE 48 N 1.62 1.09 -3.82 3.14 5.41 -0.30 -4.59 119.36 121.91 1igj n ILE 48 Ca -0.09 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1igj n ILE 48 Cb 0.51 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 1igj n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1igj n GLY 49 N 1.80 -0.93 3.43 7.39 0.00 -0.95 -0.86 105.19 115.07 1igj n GLY 49 Ca -0.37 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 1igj n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1igj s TYR 50 N -3.00 -0.21 -0.12 1.61 -0.85 -0.87 -0.90 117.35 113.01 1igj s TYR 50 Ca 0.00 -0.10 -0.10 0.00 -0.52 0.00 0.00 57.07 56.35 1igj s TYR 50 Cb 0.00 0.37 0.03 0.00 0.38 0.00 0.00 41.96 42.74 1igj s TYR 50 CO 0.00 -0.83 0.32 -1.50 -1.52 0.00 0.00 175.55 172.02 1igj s ILE 51 N -3.83 -0.01 -0.26 -3.49 2.07 0.59 -2.68 121.20 113.60 1igj s ILE 51 Ca 0.06 0.02 -0.21 0.00 -1.41 0.00 0.00 60.65 59.11 1igj s ILE 51 Cb 0.00 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 1igj s ILE 51 CO -0.08 0.01 0.65 -0.55 -1.91 0.00 0.00 174.94 173.06 1igj s SER 52 N 0.38 6.58 0.06 4.50 0.15 -0.01 -0.73 113.70 124.64 1igj s SER 52 Ca -0.02 0.68 -0.35 0.00 0.70 0.00 0.00 55.95 56.96 1igj s SER 52 Cb -0.04 -2.35 -0.20 0.00 -1.71 0.00 0.00 66.02 61.73 1igj s SER 52 CO -0.02 -0.41 1.58 -0.65 1.20 0.00 0.00 173.24 174.95 1igj h PRO 52 N 7.94 -1.08 -0.10 5.44 0.11 -1.91 0.16 132.00 142.56 1igj h PRO 52 Ca -0.26 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1igj h PRO 52 Cb 1.12 0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1igj h PRO 52 CO 0.79 -0.72 0.00 0.66 -0.21 0.00 0.00 178.00 178.52 1igj n TYR 53 N -5.57 0.00 0.00 0.65 4.02 -1.26 -3.71 117.16 111.28 1igj n TYR 53 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 1igj n TYR 53 Cb 0.45 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 1igj n TYR 53 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1igj n SER 54 N 0.21 0.00 -0.38 7.72 7.64 -1.23 -5.05 113.62 122.53 1igj n SER 54 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1igj n SER 54 Cb 0.02 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1igj n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1igj n GLY 55 N -1.33 0.66 3.67 0.23 0.00 0.57 -5.04 105.19 103.95 1igj n GLY 55 Ca 0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1igj n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1igj s VAL 56 N -2.12 5.33 -0.02 1.61 1.01 -1.23 -4.85 120.40 120.12 1igj s VAL 56 Ca 0.00 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.33 1igj s VAL 56 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1igj s VAL 56 CO 0.00 0.33 -0.16 -0.89 0.00 0.00 0.00 175.10 174.38 1igj s THR 57 N 1.05 1.30 -0.05 3.92 2.01 -1.26 -0.83 115.64 121.78 1igj s THR 57 Ca 0.10 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.23 1igj s THR 57 Cb -0.14 -1.10 0.04 0.00 0.01 0.00 0.00 72.50 71.31 1igj s THR 57 CO 0.05 0.37 0.43 -0.83 -0.69 0.00 0.00 174.62 173.95 1igj s GLY 58 N -0.18 -0.30 0.08 4.40 0.00 -1.09 -5.00 107.32 105.22 1igj s GLY 58 Ca 0.02 0.76 0.04 0.00 0.00 0.00 0.00 44.72 45.54 1igj s GLY 58 CO 0.00 0.52 -0.11 -0.19 0.00 0.00 0.00 173.10 173.32 1igj s TYR 59 N -1.00 1.04 0.16 1.90 1.51 -1.26 -2.04 117.35 117.66 1igj s TYR 59 Ca -0.10 -0.54 -0.31 0.00 -1.01 0.00 0.00 57.07 55.10 1igj s TYR 59 Cb -0.04 -0.58 -0.10 0.00 -0.11 0.00 0.00 41.96 41.13 1igj s TYR 59 CO 0.05 0.01 1.54 1.21 -1.11 0.00 0.00 175.55 177.25 1igj s ASN 60 N -1.97 6.62 -1.10 2.29 3.84 -0.04 -4.85 114.94 119.72 1igj s ASN 60 Ca -0.01 2.58 -0.16 0.00 0.21 0.00 0.00 52.86 55.49 1igj s ASN 60 Cb -0.07 -2.59 0.15 0.00 -0.55 0.00 0.00 41.25 38.19 1igj s ASN 60 CO 0.01 -0.80 1.32 -1.10 -2.79 0.00 0.00 177.10 173.74 1igj s GLN 61 N 1.06 3.90 0.00 0.43 1.11 -1.26 -1.55 119.66 123.34 1igj s GLN 61 Ca 0.69 -2.26 0.00 0.00 0.01 0.00 0.00 55.36 53.80 1igj s GLN 61 Cb -0.43 -5.01 0.00 0.00 -1.01 0.00 0.00 33.01 26.56 1igj s GLN 61 CO 0.32 -1.78 0.00 0.36 0.01 0.00 0.00 175.29 174.20 1igj n LYS 62 N 6.03 0.00 -0.04 2.91 2.85 -1.26 -4.89 118.16 123.75 1igj n LYS 62 Ca 0.32 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.61 1igj n LYS 62 Cb 0.45 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.67 1igj n LYS 62 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1igj n PHE 63 N 0.00 0.00 -1.70 5.58 3.72 -0.60 -4.72 117.46 119.74 1igj n PHE 63 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 1igj n PHE 63 Cb 0.00 -0.66 -0.04 0.00 -0.94 0.00 0.00 39.48 37.84 1igj n PHE 63 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1igj s LYS 64 N -3.12 2.13 0.00 -1.08 2.47 -0.90 -0.43 119.74 118.80 1igj s LYS 64 Ca -0.08 0.91 0.00 0.00 -1.56 0.00 0.00 55.97 55.24 1igj s LYS 64 Cb 0.11 -4.63 0.00 0.00 -1.46 0.00 0.00 37.83 31.85 1igj s LYS 64 CO 0.85 -3.44 0.00 0.41 0.16 0.00 0.00 175.35 173.33 1igj n GLY 65 N 6.19 1.78 0.12 5.54 0.00 -1.26 -4.92 105.19 112.63 1igj n GLY 65 Ca 0.36 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1igj n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1igj h LYS 66 N 0.00 0.00 -6.03 1.61 1.57 -1.04 -3.48 116.57 109.21 1igj h LYS 66 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1igj h LYS 66 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 1igj h LYS 66 CO 0.00 0.00 -0.58 0.00 -0.57 0.00 0.00 179.45 178.30 1igj s ALA 67 N -3.35 3.35 0.03 3.86 0.00 -0.33 -1.92 121.76 123.39 1igj s ALA 67 Ca 0.00 -1.93 -0.10 0.00 0.00 0.00 0.00 51.96 49.93 1igj s ALA 67 Cb 0.09 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1igj s ALA 67 CO 0.78 0.03 0.20 0.99 0.00 0.00 0.00 175.76 177.77 1igj s THR 68 N -2.49 0.10 -0.00 0.00 2.01 -1.02 -4.76 115.64 109.47 1igj s THR 68 Ca 0.36 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.64 1igj s THR 68 Cb -0.01 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1igj s THR 68 CO 0.21 -0.44 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.72 1igj s LEU 69 N -1.86 2.30 0.05 4.42 1.43 -1.26 -2.09 118.68 121.68 1igj s LEU 69 Ca -0.08 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1igj s LEU 69 Cb -0.03 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 1igj s LEU 69 CO -0.02 0.30 -0.06 0.42 0.23 0.00 0.00 176.35 177.23 1igj s THR 70 N -0.72 0.42 -0.15 5.49 -4.23 0.02 -4.97 115.64 111.50 1igj s THR 70 Ca 0.11 -1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 59.18 1igj s THR 70 Cb -0.10 -0.94 0.06 0.00 1.34 0.00 0.00 72.50 72.86 1igj s THR 70 CO 0.01 -0.63 0.34 0.54 -0.54 0.00 0.00 174.62 174.34 1igj s VAL 71 N -2.37 -0.15 -0.90 2.29 0.11 -1.26 -0.61 120.40 117.50 1igj s VAL 71 Ca -0.03 0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1igj s VAL 71 Cb -0.03 -0.52 0.23 0.00 -1.53 0.00 0.00 36.38 34.52 1igj s VAL 71 CO -0.03 0.06 0.81 -0.62 -3.33 0.00 0.00 175.10 171.99 1igj s ASP 72 N 1.63 6.36 0.42 3.54 -1.08 0.14 -4.94 116.67 122.74 1igj s ASP 72 Ca -0.07 -3.38 0.15 0.00 -0.52 0.00 0.00 52.55 48.73 1igj s ASP 72 Cb -0.10 -2.03 1.03 0.00 -1.46 0.00 0.00 42.92 40.36 1igj s ASP 72 CO -0.11 -0.31 1.91 0.07 0.52 0.00 0.00 175.17 177.25 1igj h LYS 73 N 6.65 0.43 0.10 4.34 2.10 -1.88 -1.80 116.57 126.51 1igj h LYS 73 Ca 0.13 -0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.77 1igj h LYS 73 Cb 0.89 -0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 32.09 1igj h LYS 73 CO 0.86 0.28 -0.29 0.66 -2.00 0.00 0.00 179.45 178.96 1igj h SER 74 N 0.44 -0.83 0.31 7.07 4.64 -1.92 -2.21 113.55 121.05 1igj h SER 74 Ca 0.39 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1igj h SER 74 Cb 0.87 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1igj h SER 74 CO -0.13 -0.38 0.00 -1.20 -0.87 0.00 0.00 176.83 174.25 1igj n SER 75 N -5.40 0.00 0.00 4.97 7.64 -0.74 -4.84 113.62 115.25 1igj n SER 75 Ca -0.06 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1igj n SER 75 Cb 0.31 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1igj n SER 75 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1igj n SER 76 N -1.22 -4.06 -4.75 6.43 7.64 -0.83 -4.91 113.62 111.92 1igj n SER 76 Ca 0.11 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.63 1igj n SER 76 Cb 0.15 -2.14 -0.07 0.00 -1.01 0.00 0.00 64.21 61.14 1igj n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1igj s THR 77 N -1.54 5.34 -0.02 0.44 2.01 -0.80 -2.56 115.64 118.51 1igj s THR 77 Ca 0.00 0.42 0.03 0.00 0.31 0.00 0.00 61.69 62.46 1igj s THR 77 Cb 0.00 -3.56 -0.00 0.00 0.01 0.00 0.00 72.50 68.94 1igj s THR 77 CO 0.00 0.44 -0.12 0.00 -0.69 0.00 0.00 174.62 174.25 1igj s ALA 78 N 0.18 1.04 0.14 7.40 0.00 0.95 0.25 121.76 131.73 1igj s ALA 78 Ca 0.14 -0.48 0.10 0.00 0.00 0.00 0.00 51.96 51.73 1igj s ALA 78 Cb -0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1igj s ALA 78 CO 0.03 0.21 -0.22 0.71 0.00 0.00 0.00 175.76 176.49 1igj s TYR 79 N -0.03 2.42 -0.08 0.00 2.02 0.21 -0.01 117.35 121.89 1igj s TYR 79 Ca 0.00 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 1igj s TYR 79 Cb -0.07 -1.28 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1igj s TYR 79 CO 0.00 0.39 -0.24 1.41 -1.57 0.00 0.00 175.55 175.55 1igj s MET 80 N -2.24 2.81 -0.18 -0.62 -2.45 -0.26 -0.80 119.30 115.57 1igj s MET 80 Ca 0.17 -0.88 0.01 0.00 -1.25 0.00 0.00 55.69 53.75 1igj s MET 80 Cb -0.10 -2.26 0.02 0.00 1.25 0.00 0.00 34.83 33.75 1igj s MET 80 CO 0.09 0.30 -0.19 -2.00 1.05 0.00 0.00 175.02 174.26 1igj s GLU 81 N 0.06 2.88 -0.47 4.11 2.12 -0.89 -1.17 118.70 125.34 1igj s GLU 81 Ca -0.10 -0.80 -0.16 0.00 0.36 0.00 0.00 54.97 54.27 1igj s GLU 81 Cb -0.16 -2.51 0.06 0.00 0.26 0.00 0.00 34.13 31.79 1igj s GLU 81 CO 0.06 -0.22 0.42 -0.51 -0.54 0.00 0.00 175.26 174.46 1igj s LEU 82 N 1.31 5.48 0.25 2.70 1.43 -0.04 -2.42 118.68 127.39 1igj s LEU 82 Ca 0.05 -1.22 0.05 0.00 -1.03 0.00 0.00 54.13 51.98 1igj s LEU 82 Cb -0.13 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1igj s LEU 82 CO -0.13 -0.66 0.37 -0.13 0.23 0.00 0.00 176.35 176.04 1igj s ARG 82 N 1.78 3.43 -1.61 1.70 0.52 -0.81 -0.61 118.95 123.36 1igj s ARG 82 Ca 0.06 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1igj s ARG 82 Cb -0.23 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.36 1igj s ARG 82 CO 0.08 0.41 0.00 0.43 0.02 0.00 0.00 175.30 176.23 1igj n SER 82 N -1.43 -4.89 -4.60 0.23 7.64 -0.21 -4.85 113.62 105.52 1igj n SER 82 Ca -0.09 0.37 -0.48 0.00 1.01 0.00 0.00 58.87 59.69 1igj n SER 82 Cb 0.57 -3.72 -0.04 0.00 -1.01 0.00 0.00 64.21 60.01 1igj n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1igj n LEU 82 N -1.72 1.87 -4.61 -3.43 4.77 -0.54 -4.24 117.00 109.09 1igj n LEU 82 Ca -0.15 1.14 -0.25 0.00 -0.03 0.00 0.00 56.01 56.72 1igj n LEU 82 Cb 0.51 -1.26 -0.09 0.00 -2.33 0.00 0.00 43.42 40.25 1igj n LEU 82 CO 0.23 -1.12 -0.32 0.42 -1.33 0.00 0.00 177.39 175.28 1igj s THR 83 N -0.12 2.51 0.33 -5.08 -4.23 -1.26 -0.73 115.64 107.06 1igj s THR 83 Ca 0.73 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 59.30 1igj s THR 83 Cb -0.81 -2.77 0.38 0.00 1.34 0.00 0.00 72.50 70.64 1igj s THR 83 CO 0.51 -0.19 1.58 0.77 -0.54 0.00 0.00 174.62 176.76 1igj h SER 84 N 1.85 -0.14 -0.79 3.99 4.64 -1.96 -0.93 113.55 120.20 1igj h SER 84 Ca -0.43 0.26 0.17 0.00 -0.47 0.00 0.00 61.79 61.33 1igj h SER 84 Cb 1.25 0.38 -0.14 0.00 -0.31 0.00 0.00 62.40 63.58 1igj h SER 84 CO 0.68 -0.36 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.87 1igj h GLU 85 N 0.04 0.04 0.00 4.77 3.07 -1.97 -2.29 114.58 118.25 1igj h GLU 85 Ca 0.68 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.54 1igj h GLU 85 Cb 1.56 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.46 1igj h GLU 85 CO -0.84 0.03 0.00 -0.25 -1.40 0.00 0.00 179.01 176.55 1igj n ASP 86 N -5.44 0.00 -4.55 1.42 8.00 -0.35 -4.51 116.55 111.11 1igj n ASP 86 Ca 0.13 0.26 -0.35 0.00 0.71 0.00 0.00 54.79 55.54 1igj n ASP 86 Cb 0.47 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1igj n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1igj s SER 87 N -2.57 4.85 0.37 -2.24 0.01 -0.86 -4.69 113.70 108.57 1igj s SER 87 Ca 0.02 0.53 -0.16 0.00 1.31 0.00 0.00 55.95 57.64 1igj s SER 87 Cb 0.01 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.77 1igj s SER 87 CO 0.02 -2.69 0.80 0.00 0.41 0.00 0.00 173.24 171.78 1igj s ALA 88 N 10.71 -0.81 0.34 1.44 0.00 -1.24 -4.80 121.76 127.41 1igj s ALA 88 Ca 0.81 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.88 1igj s ALA 88 Cb -0.14 0.69 -0.10 0.00 0.00 0.00 0.00 23.12 23.57 1igj s ALA 88 CO 0.20 -0.99 0.80 0.08 0.00 0.00 0.00 175.76 175.85 1igj s VAL 89 N -2.37 4.57 -0.04 0.00 1.01 -0.76 -1.37 120.40 121.45 1igj s VAL 89 Ca 0.16 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.31 1igj s VAL 89 Cb -0.05 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1igj s VAL 89 CO 0.11 -0.18 -0.04 -0.31 0.00 0.00 0.00 175.10 174.68 1igj s TYR 90 N -1.99 0.62 0.00 5.22 1.51 -0.61 -1.56 117.35 120.54 1igj s TYR 90 Ca 0.55 -0.14 0.06 0.00 -1.01 0.00 0.00 57.07 56.53 1igj s TYR 90 Cb -0.11 -0.56 -0.03 0.00 -0.11 0.00 0.00 41.96 41.15 1igj s TYR 90 CO 0.17 -0.15 -0.19 0.71 -1.11 0.00 0.00 175.55 174.98 1igj s TYR 91 N 0.79 2.56 0.35 2.71 2.02 0.52 -1.34 117.35 124.95 1igj s TYR 91 Ca -0.10 -0.26 0.08 0.00 -0.37 0.00 0.00 57.07 56.41 1igj s TYR 91 Cb -0.13 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1igj s TYR 91 CO -0.00 0.18 0.31 0.00 -1.57 0.00 0.00 175.55 174.47 1igj s ALA 93 N -2.34 -2.23 0.01 0.00 0.00 0.04 -1.94 121.76 115.31 1igj s ALA 93 Ca 0.42 2.05 -0.01 0.00 0.00 0.00 0.00 51.96 54.43 1igj s ALA 93 Cb -0.05 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 1igj s ALA 93 CO 0.27 -0.29 0.14 0.20 0.00 0.00 0.00 175.76 176.07 1igj s GLY 94 N 0.91 2.10 0.01 0.00 0.00 0.14 0.81 107.32 111.29 1igj s GLY 94 Ca -0.04 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.85 1igj s GLY 94 CO -0.12 -0.76 -0.06 -0.56 0.00 0.00 0.00 173.10 171.60 1igj s SER 95 N -2.00 0.67 0.01 1.64 0.01 -0.36 -1.62 113.70 112.05 1igj s SER 95 Ca 0.27 -0.21 -0.08 0.00 1.31 0.00 0.00 55.95 57.24 1igj s SER 95 Cb -0.12 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1igj s SER 95 CO 0.19 -0.01 0.15 -0.44 0.41 0.00 0.00 173.24 173.54 1igj s SER 96 N -0.50 0.04 0.48 2.44 0.01 -1.26 -2.16 113.70 112.75 1igj s SER 96 Ca -0.01 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1igj s SER 96 Cb -0.04 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1igj s SER 96 CO -0.00 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1igj n GLY 97 N 1.19 -0.97 0.37 3.44 0.00 -1.26 -4.11 105.19 103.85 1igj n GLY 97 Ca -0.21 -0.75 0.09 0.00 0.00 0.00 0.00 46.02 45.14 1igj n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1igj n ASN 98 N -3.80 0.00 -0.23 1.61 6.94 -1.26 -3.15 115.26 115.37 1igj n ASN 98 Ca 0.00 0.54 -0.03 0.00 -0.02 0.00 0.00 54.58 55.07 1igj n ASN 98 Cb 0.22 -0.08 0.07 0.00 -2.36 0.00 0.00 39.78 37.63 1igj n ASN 98 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1igj h LYS 99 N 0.00 0.74 -6.26 -3.83 1.57 -2.03 -3.46 116.57 103.30 1igj h LYS 99 Ca 0.15 -0.04 -0.45 0.00 -1.87 0.00 0.00 60.65 58.43 1igj h LYS 99 Cb 2.14 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.28 1igj h LYS 99 CO -0.00 0.49 -0.84 0.91 -0.57 0.00 0.00 179.45 179.43 1igj n TRP 100 N -4.72 -1.85 -4.15 -1.35 7.02 -1.19 -5.02 117.44 106.18 1igj n TRP 100 Ca 0.07 0.81 -0.15 0.00 -1.02 0.00 0.00 57.50 57.21 1igj n TRP 100 Cb 0.10 -4.11 -0.13 0.00 -2.42 0.00 0.00 31.31 24.75 1igj n TRP 100 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1igj s ALA 100 N -3.72 0.54 -0.49 6.99 0.00 -1.26 -5.12 121.76 118.69 1igj s ALA 100 Ca 0.08 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.36 1igj s ALA 100 Cb -0.04 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.05 1igj s ALA 100 CO 0.84 0.07 0.79 -1.64 0.00 0.00 0.00 175.76 175.82 1igj s MET 100 N -0.69 3.31 0.03 0.00 -1.94 -1.26 -4.56 119.30 114.19 1igj s MET 100 Ca -0.02 -0.33 0.18 0.00 -1.71 0.00 0.00 55.69 53.81 1igj s MET 100 Cb -0.05 -4.00 -0.16 0.00 2.01 0.00 0.00 34.83 32.62 1igj s MET 100 CO 0.00 -1.24 0.71 -0.40 -0.01 0.00 0.00 175.02 174.08 1igj n ASP 101 N 6.80 0.65 -4.04 3.03 5.75 -0.64 -4.80 116.55 123.30 1igj n ASP 101 Ca 0.00 0.28 -0.31 0.00 -0.01 0.00 0.00 54.79 54.75 1igj n ASP 101 Cb 0.47 0.51 -0.15 0.00 -1.03 0.00 0.00 41.12 40.92 1igj n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1igj s TYR 102 N -2.98 3.49 -0.11 2.11 2.02 -1.16 -4.99 117.35 115.73 1igj s TYR 102 Ca -0.04 -2.65 -0.05 0.00 -0.37 0.00 0.00 57.07 53.96 1igj s TYR 102 Cb 0.09 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1igj s TYR 102 CO 0.82 -0.91 0.09 -1.58 -1.57 0.00 0.00 175.55 172.40 1igj s TRP 103 N 1.01 3.45 0.00 2.71 0.52 -1.26 0.28 118.94 125.65 1igj s TRP 103 Ca 0.01 0.41 0.00 0.00 0.02 0.00 0.00 56.10 56.54 1igj s TRP 103 Cb -0.19 -1.89 0.00 0.00 -1.15 0.00 0.00 33.47 30.23 1igj s TRP 103 CO -0.07 0.63 0.00 0.41 0.02 0.00 0.00 176.95 177.95 1igj n GLY 104 N 2.08 -2.92 0.02 0.98 0.00 -0.82 -4.88 105.19 99.66 1igj n GLY 104 Ca -0.19 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.64 1igj n GLY 104 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1igj n HIS 105 N -1.35 0.18 0.00 1.61 1.44 -1.26 -4.87 115.22 110.97 1igj n HIS 105 Ca 0.00 0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1igj n HIS 105 Cb 0.00 -0.40 0.00 0.00 0.12 0.00 0.00 29.99 29.71 1igj n HIS 105 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1igj n GLY 106 N 1.35 -1.08 3.27 -1.39 0.00 -1.26 -5.07 105.19 101.02 1igj n GLY 106 Ca 0.01 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 1igj n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1igj s ALA 107 N -3.07 -1.11 0.00 4.61 0.00 -0.45 -4.87 121.76 116.86 1igj s ALA 107 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 1igj s ALA 107 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1igj s ALA 107 CO 0.00 -0.51 1.12 -1.12 0.00 0.00 0.00 175.76 175.25 1igj s SER 108 N 2.00 7.17 -0.85 0.00 0.01 -1.25 -1.58 113.70 119.20 1igj s SER 108 Ca -0.06 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.02 1igj s SER 108 Cb -0.10 -2.57 0.22 0.00 0.21 0.00 0.00 66.02 63.78 1igj s SER 108 CO -0.13 -0.43 0.75 0.52 0.41 0.00 0.00 173.24 174.36 1igj n VAL 109 N 4.14 2.79 -2.46 3.43 0.31 -0.47 -0.47 118.33 125.60 1igj n VAL 109 Ca 0.09 -5.11 -0.42 0.00 -0.01 0.00 0.00 64.34 58.89 1igj n VAL 109 Cb 0.48 -2.31 -0.03 0.00 -0.91 0.00 0.00 33.84 31.07 1igj n VAL 109 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1igj s THR 110 N -1.53 4.24 -0.11 2.52 2.01 -0.81 -3.34 115.64 118.62 1igj s THR 110 Ca 0.28 1.57 -0.03 0.00 0.31 0.00 0.00 61.69 63.83 1igj s THR 110 Cb -0.05 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1igj s THR 110 CO -0.12 0.01 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.12 1igj s VAL 111 N 2.13 4.19 -0.23 3.82 1.01 -1.26 -1.25 120.40 128.80 1igj s VAL 111 Ca 0.56 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.00 1igj s VAL 111 Cb -0.25 -2.79 0.12 0.00 0.00 0.00 0.00 36.38 33.46 1igj s VAL 111 CO 0.23 0.56 0.98 -0.55 0.00 0.00 0.00 175.10 176.32 1igj s SER 112 N -0.44 -0.46 -0.53 3.32 0.15 0.06 -4.93 113.70 110.87 1igj s SER 112 Ca 0.08 0.77 -0.02 0.00 0.70 0.00 0.00 55.95 57.48 1igj s SER 112 Cb -0.12 0.74 0.30 0.00 -1.71 0.00 0.00 66.02 65.24 1igj s SER 112 CO 0.02 -0.24 2.12 -1.20 1.20 0.00 0.00 173.24 175.15 1igj n SER 113 N 1.77 7.08 -4.00 5.45 7.64 -1.26 -3.59 113.62 126.71 1igj n SER 113 Ca -0.12 -3.45 -0.12 0.00 1.01 0.00 0.00 58.87 56.19 1igj n SER 113 Cb 0.56 -1.05 -0.12 0.00 -1.01 0.00 0.00 64.21 62.59 1igj n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1igj s ALA 114 N -2.83 0.31 0.24 -0.43 0.00 -1.26 -5.11 121.76 112.68 1igj s ALA 114 Ca 0.50 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.97 1igj s ALA 114 Cb 0.39 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1igj s ALA 114 CO -0.08 -0.06 0.26 -1.59 0.00 0.00 0.00 175.76 174.30 1igj s LYS 115 N -1.18 3.15 0.00 0.00 0.00 -1.26 -4.93 119.74 115.51 1igj s LYS 115 Ca -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 55.97 54.95 1igj s LYS 115 Cb -0.08 -2.71 0.00 0.00 0.00 0.00 0.00 37.83 35.04 1igj s LYS 115 CO -0.00 0.42 0.10 2.41 0.00 0.00 0.00 175.35 178.27 1igj n THR 116 N -1.25 0.00 -1.98 3.79 -1.04 -1.26 -4.85 114.28 107.69 1igj n THR 116 Ca -0.08 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.41 1igj n THR 116 Cb 0.57 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.06 1igj n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1igj s THR 117 N 0.97 3.54 0.99 12.58 2.01 -1.20 -4.85 115.64 129.67 1igj s THR 117 Ca 0.00 0.64 -0.12 0.00 0.31 0.00 0.00 61.69 62.52 1igj s THR 117 Cb 0.00 -3.44 0.18 0.00 0.01 0.00 0.00 72.50 69.26 1igj s THR 117 CO 0.00 -0.08 1.09 0.00 -0.69 0.00 0.00 174.62 174.94 1igj s ALA 118 N 4.32 0.97 0.09 7.40 0.00 -1.26 -0.31 121.76 132.97 1igj s ALA 118 Ca 0.75 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1igj s ALA 118 Cb -0.33 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1igj s ALA 118 CO 0.31 -2.82 0.13 -1.25 0.00 0.00 0.00 175.76 172.13 1igj s PRO 119 N -4.94 3.07 0.25 0.00 0.04 -1.26 -4.14 135.00 128.01 1igj s PRO 119 Ca 0.65 -0.64 -0.19 0.00 0.04 0.00 0.00 61.00 60.87 1igj s PRO 119 Cb -0.19 -2.82 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 1igj s PRO 119 CO 0.58 0.57 0.73 -1.12 0.04 0.00 0.00 177.00 177.80 1igj s SER 120 N -2.55 7.01 -0.07 6.66 0.01 -0.02 -4.92 113.70 119.82 1igj s SER 120 Ca 0.31 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.98 1igj s SER 120 Cb -0.12 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.72 1igj s SER 120 CO 0.24 -0.02 -0.05 -0.69 0.41 0.00 0.00 173.24 173.14 1igj s VAL 121 N -1.62 0.65 0.04 3.43 1.01 -1.26 -1.22 120.40 121.44 1igj s VAL 121 Ca 0.45 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.36 1igj s VAL 121 Cb -0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1igj s VAL 121 CO 0.20 0.27 -0.16 -0.31 0.00 0.00 0.00 175.10 175.11 1igj s TYR 122 N 1.31 1.35 -0.37 5.22 2.02 0.06 -4.93 117.35 122.01 1igj s TYR 122 Ca -0.04 -0.36 -0.25 0.00 -0.37 0.00 0.00 57.07 56.04 1igj s TYR 122 Cb -0.14 -0.80 0.01 0.00 -0.40 0.00 0.00 41.96 40.64 1igj s TYR 122 CO -0.02 0.05 0.88 -1.25 -1.57 0.00 0.00 175.55 173.64 1igj s PRO 123 N -1.20 3.80 -1.17 -1.71 0.05 -1.26 -1.00 135.00 132.51 1igj s PRO 123 Ca 0.03 0.48 -0.11 0.00 0.05 0.00 0.00 61.00 61.45 1igj s PRO 123 Cb -0.08 -3.81 0.22 0.00 0.05 0.00 0.00 34.50 30.88 1igj s PRO 123 CO 0.01 -0.93 1.35 1.28 0.05 0.00 0.00 177.00 178.77 1igj n LEU 124 N 6.68 5.51 -4.77 -3.56 4.77 -0.28 -4.97 117.00 120.37 1igj n LEU 124 Ca 0.06 -4.74 -0.38 0.00 -0.03 0.00 0.00 56.01 50.92 1igj n LEU 124 Cb 0.48 -1.54 -0.05 0.00 -2.33 0.00 0.00 43.42 39.99 1igj n LEU 124 CO 0.57 1.07 0.73 0.00 -1.33 0.00 0.00 177.39 178.43 1igj s ALA 125 N 0.14 3.24 -0.49 -1.18 0.00 -1.26 -0.00 121.76 122.21 1igj s ALA 125 Ca 0.37 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 1igj s ALA 125 Cb -0.04 -3.27 -0.32 0.00 0.00 0.00 0.00 23.12 19.49 1igj s ALA 125 CO -0.02 -0.10 1.82 -0.35 0.00 0.00 0.00 175.76 177.11 1igj n PRO 126 N 0.60 0.04 -2.21 0.00 -0.04 -1.26 -4.79 135.00 127.34 1igj n PRO 126 Ca 0.02 -1.31 -0.37 0.00 -0.04 0.00 0.00 63.50 61.80 1igj n PRO 126 Cb 0.48 -3.14 -0.03 0.00 -0.04 0.00 0.00 33.50 30.76 1igj n PRO 126 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1igj s VAL 127 N 11.69 3.52 -0.90 0.52 1.01 -1.26 -3.69 120.40 131.29 1igj s VAL 127 Ca 0.74 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.52 1igj s VAL 127 Cb 0.06 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1igj s VAL 127 CO 0.28 -1.25 0.39 0.00 0.00 0.00 0.00 175.10 174.52 1igj h GLY 129 N -0.96 0.00 0.00 0.00 0.00 -1.96 -3.49 103.07 96.67 1igj h GLY 129 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1igj h GLY 129 CO 0.39 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.15 1igj n ASP 130 N -2.82 0.00 -3.53 0.19 9.92 -1.26 -4.85 116.55 114.19 1igj n ASP 130 Ca 0.04 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.14 1igj n ASP 130 Cb 0.51 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.93 1igj n ASP 130 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1igj s THR 133 N 0.00 0.01 -0.37 -3.53 -4.23 -1.26 -4.94 115.64 101.31 1igj s THR 133 Ca 0.00 -0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.49 1igj s THR 133 Cb 0.00 -0.97 0.48 0.00 1.34 0.00 0.00 72.50 73.35 1igj s THR 133 CO 0.00 -0.04 1.47 0.41 -0.54 0.00 0.00 174.62 175.92 1igj n THR 134 N 0.68 2.77 0.00 3.99 -1.04 -1.02 -5.01 114.28 114.64 1igj n THR 134 Ca -0.19 -3.37 0.00 0.00 -2.04 0.00 0.00 64.05 58.45 1igj n THR 134 Cb 0.59 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1igj n THR 134 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1igj n GLY 135 N -0.92 0.95 0.11 3.41 0.00 -1.26 -3.38 105.19 104.09 1igj n GLY 135 Ca 0.43 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.82 1igj n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1igj h SER 136 N 0.00 0.27 -3.37 1.61 4.64 -1.95 -3.42 113.55 111.32 1igj h SER 136 Ca 0.00 -0.51 -0.59 0.00 -0.47 0.00 0.00 61.79 60.21 1igj h SER 136 Cb 0.00 -0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 61.92 1igj h SER 136 CO 0.00 0.73 0.54 -0.44 -0.87 0.00 0.00 176.83 176.79 1igj s SER 137 N -6.04 6.77 -0.18 4.97 0.01 -1.22 -2.76 113.70 115.25 1igj s SER 137 Ca -0.15 0.82 0.01 0.00 1.31 0.00 0.00 55.95 57.94 1igj s SER 137 Cb 0.04 -2.45 0.03 0.00 0.21 0.00 0.00 66.02 63.85 1igj s SER 137 CO 0.73 -0.68 -0.12 -0.69 0.41 0.00 0.00 173.24 172.89 1igj s VAL 138 N 3.15 1.65 -0.20 3.43 1.01 -1.26 -2.44 120.40 125.74 1igj s VAL 138 Ca 0.37 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1igj s VAL 138 Cb -0.14 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1igj s VAL 138 CO 0.13 0.29 -0.01 -0.89 0.00 0.00 0.00 175.10 174.61 1igj s THR 139 N 1.42 3.80 0.47 3.92 2.01 -1.26 -2.12 115.64 123.87 1igj s THR 139 Ca 0.01 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 61.72 1igj s THR 139 Cb -0.15 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1igj s THR 139 CO -0.09 0.43 0.40 -0.76 -0.69 0.00 0.00 174.62 173.91 1igj s LEU 140 N 1.08 3.11 0.32 4.42 1.43 -0.58 -4.32 118.68 124.15 1igj s LEU 140 Ca 0.02 -0.95 -0.08 0.00 -1.03 0.00 0.00 54.13 52.09 1igj s LEU 140 Cb -0.14 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1igj s LEU 140 CO 0.01 -0.85 0.53 -0.83 0.23 0.00 0.00 176.35 175.44 1igj s GLY 141 N -4.20 1.02 -0.08 -3.19 0.00 1.00 -2.52 107.32 99.34 1igj s GLY 141 Ca 0.44 -1.20 -0.04 0.00 0.00 0.00 0.00 44.72 43.92 1igj s GLY 141 CO 0.26 -0.77 0.18 0.00 0.00 0.00 0.00 173.10 172.77 1igj s LEU 143 N 1.00 4.34 -0.26 0.00 2.96 -0.17 -2.57 118.68 123.98 1igj s LEU 143 Ca -0.07 -1.22 -0.11 0.00 -0.22 0.00 0.00 54.13 52.51 1igj s LEU 143 Cb -0.09 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 1igj s LEU 143 CO -0.06 -0.34 0.17 -0.69 -1.32 0.00 0.00 176.35 174.12 1igj s VAL 144 N 1.37 5.30 -0.02 1.68 1.01 0.39 -0.76 120.40 129.36 1igj s VAL 144 Ca -0.02 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1igj s VAL 144 Cb -0.20 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1igj s VAL 144 CO 0.02 0.30 0.13 -0.75 0.00 0.00 0.00 175.10 174.80 1igj s LYS 145 N 1.42 0.32 0.00 2.72 2.20 -0.36 -0.72 119.74 125.32 1igj s LYS 145 Ca 0.07 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1igj s LYS 145 Cb -0.15 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 1igj s LYS 145 CO 0.08 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 1igj n GLY 146 N 2.20 0.58 3.93 5.54 0.00 0.29 -0.84 105.19 116.88 1igj n GLY 146 Ca -0.18 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1igj n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1igj s TYR 147 N -2.00 2.08 -0.21 1.61 1.13 -1.23 -4.63 117.35 114.10 1igj s TYR 147 Ca 0.00 0.37 -0.28 0.00 -1.41 0.00 0.00 57.07 55.75 1igj s TYR 147 Cb 0.00 -3.74 0.13 0.00 -1.10 0.00 0.00 41.96 37.25 1igj s TYR 147 CO 0.00 -2.19 1.02 0.12 -2.51 0.00 0.00 175.55 171.99 1igj s PHE 148 N -3.66 -0.40 0.00 -3.49 5.36 0.57 -0.52 117.98 115.84 1igj s PHE 148 Ca 0.69 0.82 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 1igj s PHE 148 Cb -0.07 0.42 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 1igj s PHE 148 CO 0.50 -0.29 0.00 -0.35 -1.46 0.00 0.00 175.22 173.62 1igj n PRO 149 N 1.30 0.79 -2.76 10.12 -0.04 -1.26 -3.23 135.00 139.92 1igj n PRO 149 Ca -0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.01 1igj n PRO 149 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 1igj n PRO 149 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1igj s GLU 150 N -1.09 4.23 0.17 0.54 2.56 -1.26 -4.82 118.70 119.03 1igj s GLU 150 Ca 0.00 1.22 0.02 0.00 0.00 0.00 0.00 54.97 56.20 1igj s GLU 150 Cb 0.00 -2.30 0.02 0.00 2.00 0.00 0.00 34.13 33.84 1igj s GLU 150 CO 0.00 -0.04 0.15 -0.35 -0.56 0.00 0.00 175.26 174.46 1igj n PRO 151 N -0.43 1.18 -4.25 4.30 -0.04 -1.26 -5.03 135.00 129.48 1igj n PRO 151 Ca 0.06 -1.06 -0.14 0.00 -0.04 0.00 0.00 63.50 62.33 1igj n PRO 151 Cb 0.53 0.09 -0.10 0.00 -0.04 0.00 0.00 33.50 33.97 1igj n PRO 151 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1igj s VAL 152 N -0.73 0.95 -0.27 0.52 -7.23 -1.26 -4.34 120.40 108.04 1igj s VAL 152 Ca 0.11 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1igj s VAL 152 Cb -0.01 -1.96 0.08 0.00 0.56 0.00 0.00 36.38 35.05 1igj s VAL 152 CO 0.07 -0.64 0.02 -0.89 -0.31 0.00 0.00 175.10 173.35 1igj s THR 153 N -3.47 1.33 -0.46 5.32 2.01 -1.02 -5.00 115.64 114.36 1igj s THR 153 Ca 0.19 -1.37 -0.11 0.00 0.31 0.00 0.00 61.69 60.71 1igj s THR 153 Cb 0.04 -1.80 0.10 0.00 0.01 0.00 0.00 72.50 70.85 1igj s THR 153 CO 0.02 -0.36 0.34 -0.22 -0.69 0.00 0.00 174.62 173.70 1igj s LEU 154 N 1.44 5.55 0.00 4.42 0.20 -1.26 -1.69 118.68 127.34 1igj s LEU 154 Ca 0.02 -1.65 0.07 0.00 0.69 0.00 0.00 54.13 53.26 1igj s LEU 154 Cb -0.18 -2.06 0.11 0.00 -0.43 0.00 0.00 46.19 43.63 1igj s LEU 154 CO -0.12 -0.65 0.87 0.35 -0.29 0.00 0.00 176.35 176.50 1igj n THR 156 N 5.01 0.00 -3.71 3.68 -2.24 -0.89 -4.92 114.28 111.21 1igj n THR 156 Ca -0.10 -1.84 -0.18 0.00 -2.27 0.00 0.00 64.05 59.66 1igj n THR 156 Cb 0.42 -0.62 -0.17 0.00 -2.10 0.00 0.00 70.33 67.86 1igj n THR 156 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1igj s TRP 157 N -2.77 0.00 -0.82 4.78 0.52 -1.26 -2.06 118.94 117.34 1igj s TRP 157 Ca 0.63 0.28 -0.02 0.00 0.02 0.00 0.00 56.10 57.01 1igj s TRP 157 Cb -0.05 -0.35 -0.00 0.00 -1.15 0.00 0.00 33.47 31.92 1igj s TRP 157 CO 0.40 -0.17 0.69 0.09 0.02 0.00 0.00 176.95 177.98 1igj n ASN 162 N 4.89 -6.53 -2.57 2.95 3.02 -0.32 -2.64 115.26 114.05 1igj n ASN 162 Ca -0.13 -0.49 -0.14 0.00 -0.03 0.00 0.00 54.58 53.79 1igj n ASN 162 Cb 0.50 -3.91 -0.03 0.00 -0.61 0.00 0.00 39.78 35.74 1igj n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1igj n SER 163 N -2.20 -0.85 0.00 6.41 7.64 -1.26 -1.51 113.62 121.84 1igj n SER 163 Ca -0.12 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1igj n SER 163 Cb 0.58 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1igj n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1igj n GLY 164 N -0.60 2.98 0.72 0.23 0.00 -1.15 -4.94 105.19 102.43 1igj n GLY 164 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1igj n GLY 164 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1igj n SER 165 N 0.00 2.05 -3.97 1.61 7.64 -0.57 -4.51 113.62 115.87 1igj n SER 165 Ca 0.00 -2.08 -0.31 0.00 1.01 0.00 0.00 58.87 57.49 1igj n SER 165 Cb 0.00 -0.29 -0.15 0.00 -1.01 0.00 0.00 64.21 62.76 1igj n SER 165 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1igj s LEU 166 N -1.05 3.89 -0.04 -3.43 0.20 -1.08 -4.91 118.68 112.26 1igj s LEU 166 Ca 0.23 -1.84 -0.01 0.00 0.69 0.00 0.00 54.13 53.19 1igj s LEU 166 Cb 0.13 -1.44 -0.02 0.00 -0.43 0.00 0.00 46.19 44.43 1igj s LEU 166 CO 0.14 -0.34 -0.05 -0.24 -0.29 0.00 0.00 176.35 175.57 1igj n SER 167 N 4.43 1.46 -4.68 3.68 2.88 -1.26 -4.24 113.62 115.88 1igj n SER 167 Ca -0.02 0.03 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 1igj n SER 167 Cb 0.42 -0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 1igj n SER 167 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1igj s SER 168 N -5.06 6.90 0.00 -3.46 0.01 -1.26 -2.41 113.70 108.41 1igj s SER 168 Ca -0.06 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.21 1igj s SER 168 Cb 0.02 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1igj s SER 168 CO 0.08 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1igj n GLY 169 N 3.61 0.70 3.83 3.44 0.00 -1.26 -4.71 105.19 110.79 1igj n GLY 169 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1igj n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1igj s VAL 171 N -2.42 4.56 -0.30 1.61 1.01 -1.01 -2.40 120.40 121.45 1igj s VAL 171 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.20 1igj s VAL 171 Cb 0.00 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.82 1igj s VAL 171 CO 0.00 -0.07 0.37 -1.00 0.00 0.00 0.00 175.10 174.40 1igj s HIS 172 N -1.85 -0.75 -0.18 5.22 3.76 -0.82 -4.97 115.29 115.70 1igj s HIS 172 Ca 0.52 0.01 -0.09 0.00 -0.15 0.00 0.00 55.06 55.35 1igj s HIS 172 Cb -0.13 -0.29 -0.05 0.00 1.11 0.00 0.00 32.58 33.23 1igj s HIS 172 CO 0.18 -0.97 0.12 0.99 -0.85 0.00 0.00 174.74 174.22 1igj s THR 173 N 2.34 5.34 0.07 1.30 2.01 -1.26 -1.19 115.64 124.24 1igj s THR 173 Ca 0.10 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 1igj s THR 173 Cb -0.13 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1igj s THR 173 CO -0.28 0.48 0.36 -0.36 -0.69 0.00 0.00 174.62 174.13 1igj s PHE 174 N 0.07 3.56 0.49 4.92 0.40 -0.69 -5.00 117.98 121.73 1igj s PHE 174 Ca 0.09 0.69 -0.23 0.00 -0.60 0.00 0.00 56.93 56.88 1igj s PHE 174 Cb -0.11 -2.09 -0.07 0.00 0.51 0.00 0.00 43.02 41.25 1igj s PHE 174 CO -0.01 0.53 1.29 -2.30 0.70 0.00 0.00 175.22 175.44 1igj n PRO 175 N 0.84 1.79 -2.78 0.24 -0.02 -1.26 -4.42 135.00 129.39 1igj n PRO 175 Ca -0.08 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1igj n PRO 175 Cb 0.52 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1igj n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1igj s ALA 176 N -1.26 3.50 0.12 3.55 0.00 -1.26 -4.82 121.76 121.59 1igj s ALA 176 Ca 0.66 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.88 1igj s ALA 176 Cb -0.46 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1igj s ALA 176 CO 0.54 -0.69 -0.12 0.08 0.00 0.00 0.00 175.76 175.56 1igj s VAL 177 N 2.26 3.20 -0.48 0.00 1.01 -0.76 -4.88 120.40 120.74 1igj s VAL 177 Ca 0.43 -1.40 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 1igj s VAL 177 Cb -0.17 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.77 1igj s VAL 177 CO 0.13 0.07 0.50 -0.22 0.00 0.00 0.00 175.10 175.58 1igj s LEU 178 N -2.30 5.24 -0.42 3.92 2.96 -1.26 -0.10 118.68 126.71 1igj s LEU 178 Ca 0.21 -1.06 -0.29 0.00 -0.22 0.00 0.00 54.13 52.78 1igj s LEU 178 Cb -0.11 -2.32 0.01 0.00 0.50 0.00 0.00 46.19 44.27 1igj s LEU 178 CO 0.13 -0.74 1.47 0.00 -1.32 0.00 0.00 176.35 175.89 1igj s GLN 179 N 2.14 3.50 0.00 1.98 -2.07 0.43 -4.54 119.66 121.09 1igj s GLN 179 Ca 0.10 0.94 0.00 0.00 -1.82 0.00 0.00 55.36 54.58 1igj s GLN 179 Cb -0.21 -4.06 0.00 0.00 -1.09 0.00 0.00 33.01 27.65 1igj s GLN 179 CO 0.10 -1.66 0.00 0.43 -1.32 0.00 0.00 175.29 172.84 1igj n SER 180 N 9.15 0.00 0.00 12.60 7.64 -1.26 -0.22 113.62 141.53 1igj n SER 180 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1igj n SER 180 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1igj n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1igj n ASP 183 N 0.00 0.00 -4.60 6.43 9.92 -1.26 -4.99 116.55 122.05 1igj n ASP 183 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 1igj n ASP 183 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 1igj n ASP 183 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1igj s LEU 184 N 0.00 3.15 0.53 0.64 1.43 0.69 -4.83 118.68 120.28 1igj s LEU 184 Ca 0.00 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1igj s LEU 184 Cb 0.00 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1igj s LEU 184 CO 0.00 0.24 0.85 -0.31 0.23 0.00 0.00 176.35 177.35 1igj s TYR 185 N -1.09 3.47 0.01 0.29 2.02 0.32 0.16 117.35 122.52 1igj s TYR 185 Ca 0.19 0.81 -0.08 0.00 -0.37 0.00 0.00 57.07 57.62 1igj s TYR 185 Cb -0.11 -2.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.97 1igj s TYR 185 CO 0.11 -0.49 0.15 0.99 -1.57 0.00 0.00 175.55 174.73 1igj s THR 186 N -2.87 0.09 -0.09 -0.71 2.01 0.86 -0.55 115.64 114.38 1igj s THR 186 Ca 0.50 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 1igj s THR 186 Cb -0.10 -0.49 0.08 0.00 0.01 0.00 0.00 72.50 72.00 1igj s THR 186 CO 0.46 -0.39 0.73 -0.22 -0.69 0.00 0.00 174.62 174.51 1igj s LEU 187 N -1.45 -0.63 0.00 4.42 1.98 0.10 -1.83 118.68 121.27 1igj s LEU 187 Ca -0.14 0.76 -0.20 0.00 -2.89 0.00 0.00 54.13 51.67 1igj s LEU 187 Cb -0.07 2.43 0.04 0.00 0.66 0.00 0.00 46.19 49.25 1igj s LEU 187 CO 0.01 -0.53 0.43 -0.94 -1.89 0.00 0.00 176.35 173.43 1igj s SER 188 N -0.98 -0.33 0.12 3.68 1.04 -1.26 -0.46 113.70 115.51 1igj s SER 188 Ca -0.08 0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.56 1igj s SER 188 Cb -0.01 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1igj s SER 188 CO 0.08 -0.56 -0.08 -0.55 0.98 0.00 0.00 173.24 173.10 1igj s SER 189 N -1.56 1.44 0.29 7.02 0.15 -1.06 -1.70 113.70 118.28 1igj s SER 189 Ca -0.10 -1.00 0.09 0.00 0.70 0.00 0.00 55.95 55.64 1igj s SER 189 Cb -0.02 0.04 -0.06 0.00 -1.71 0.00 0.00 66.02 64.27 1igj s SER 189 CO 0.03 -0.39 -0.11 -0.94 1.20 0.00 0.00 173.24 173.03 1igj s SER 190 N -3.05 3.19 -0.12 5.45 1.04 -0.33 -1.63 113.70 118.24 1igj s SER 190 Ca 0.13 -1.14 -0.06 0.00 0.48 0.00 0.00 55.95 55.36 1igj s SER 190 Cb 0.04 -0.24 0.05 0.00 0.10 0.00 0.00 66.02 65.96 1igj s SER 190 CO -0.02 -0.21 0.28 0.54 0.98 0.00 0.00 173.24 174.81 1igj s VAL 191 N -2.79 -0.05 -0.05 5.02 0.11 -1.05 -1.95 120.40 119.64 1igj s VAL 191 Ca 0.30 0.14 0.05 0.00 -2.93 0.00 0.00 61.98 59.54 1igj s VAL 191 Cb 0.01 -0.43 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1igj s VAL 191 CO 0.13 0.06 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.88 1igj s THR 192 N 1.34 2.62 0.31 5.04 2.01 -1.01 -1.52 115.64 124.43 1igj s THR 192 Ca -0.09 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.04 1igj s THR 192 Cb -0.10 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1igj s THR 192 CO -0.09 0.58 0.33 0.68 -0.69 0.00 0.00 174.62 175.43 1igj s VAL 193 N -0.55 0.00 0.48 3.82 -7.23 -0.90 -4.70 120.40 111.32 1igj s VAL 193 Ca 0.08 -1.83 -0.20 0.00 -1.81 0.00 0.00 61.98 58.21 1igj s VAL 193 Cb -0.11 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.20 1igj s VAL 193 CO 0.01 0.00 1.01 0.42 -0.31 0.00 0.00 175.10 176.23 1igj s THR 194 N -3.45 3.98 -1.98 5.32 -4.23 -1.26 -4.00 115.64 110.02 1igj s THR 194 Ca 0.36 1.21 0.02 0.00 -1.18 0.00 0.00 61.69 62.10 1igj s THR 194 Cb 0.02 -3.50 0.07 0.00 1.34 0.00 0.00 72.50 70.43 1igj s THR 194 CO 0.22 -0.29 0.64 -1.54 -0.54 0.00 0.00 174.62 173.11 1igj n SER 195 N -0.96 0.00 -0.00 3.99 3.41 -1.11 -3.00 113.62 115.95 1igj n SER 195 Ca 0.09 -0.06 0.02 0.00 -0.26 0.00 0.00 58.87 58.65 1igj n SER 195 Cb 0.53 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1igj n SER 195 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1igj n SER 196 N -1.01 2.06 0.18 4.04 7.64 -1.26 -4.63 113.62 120.64 1igj n SER 196 Ca 0.02 -0.31 -0.11 0.00 1.01 0.00 0.00 58.87 59.48 1igj n SER 196 Cb 0.01 1.08 -0.06 0.00 -1.01 0.00 0.00 64.21 64.23 1igj n SER 196 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1igj h THR 198 N 0.00 0.28 -4.18 0.44 2.02 -1.91 -3.40 112.91 106.17 1igj h THR 198 Ca 0.00 -0.66 -0.47 0.00 0.77 0.00 0.00 66.41 66.05 1igj h THR 198 Cb 0.13 0.45 0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1igj h THR 198 CO 0.00 0.06 0.37 0.86 0.37 0.00 0.00 175.52 177.19 1igj s TRP 199 N -3.77 3.32 0.15 3.16 -0.00 -1.26 0.19 118.94 120.72 1igj s TRP 199 Ca -0.11 1.49 0.28 0.00 -0.00 0.00 0.00 56.10 57.77 1igj s TRP 199 Cb 0.01 -2.86 1.16 0.00 -0.00 0.00 0.00 33.47 31.79 1igj s TRP 199 CO 0.37 -0.53 1.92 -1.35 -0.00 0.00 0.00 176.95 177.35 1igj h PRO 200 N 0.93 0.00 -1.72 5.86 0.11 -1.83 -3.45 132.00 131.89 1igj h PRO 200 Ca -0.47 0.00 0.53 0.00 0.11 0.00 0.00 66.00 66.17 1igj h PRO 200 Cb 1.19 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 1igj h PRO 200 CO 0.60 0.12 1.20 0.77 -0.21 0.00 0.00 178.00 180.48 1igj h SER 202 N 0.00 0.08 -4.27 -2.05 0.02 -1.65 -3.40 113.55 102.28 1igj h SER 202 Ca -0.00 0.06 -0.52 0.00 -0.84 0.00 0.00 61.79 60.48 1igj h SER 202 Cb 0.61 0.06 -0.23 0.00 0.14 0.00 0.00 62.40 62.98 1igj h SER 202 CO 0.02 -0.09 -0.82 -1.10 -1.14 0.00 0.00 176.83 173.70 1igj s GLN 203 N -5.02 1.09 -0.05 3.45 1.11 0.13 -5.09 119.66 115.28 1igj s GLN 203 Ca -0.06 -1.04 -0.32 0.00 0.01 0.00 0.00 55.36 53.95 1igj s GLN 203 Cb 0.28 -1.26 -0.10 0.00 -1.01 0.00 0.00 33.01 30.93 1igj s GLN 203 CO 0.87 0.30 1.98 0.43 0.01 0.00 0.00 175.29 178.87 1igj n SER 204 N 1.34 3.73 -4.06 5.90 7.64 -1.26 -4.46 113.62 122.45 1igj n SER 204 Ca -0.19 0.83 -0.32 0.00 1.01 0.00 0.00 58.87 60.20 1igj n SER 204 Cb 0.54 -1.46 -0.15 0.00 -1.01 0.00 0.00 64.21 62.13 1igj n SER 204 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1igj s ILE 205 N 4.86 2.28 -0.16 0.44 1.01 -1.26 -4.96 121.20 123.41 1igj s ILE 205 Ca 0.93 -1.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1igj s ILE 205 Cb -0.54 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 1igj s ILE 205 CO 0.45 -0.21 -0.07 -0.89 0.00 0.00 0.00 174.94 174.23 1igj s THR 206 N 1.06 3.48 0.56 2.92 2.01 -1.26 -0.98 115.64 123.43 1igj s THR 206 Ca -0.03 -0.50 -0.17 0.00 0.31 0.00 0.00 61.69 61.30 1igj s THR 206 Cb -0.20 -2.52 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 1igj s THR 206 CO -0.06 0.49 1.07 0.00 -0.69 0.00 0.00 174.62 175.43 1igj s ASN 209 N -2.38 1.38 -0.20 0.00 -0.87 -0.87 -1.03 114.94 110.97 1igj s ASN 209 Ca 0.66 -1.41 -0.08 0.00 -1.57 0.00 0.00 52.86 50.47 1igj s ASN 209 Cb -0.18 0.50 -0.04 0.00 -0.02 0.00 0.00 41.25 41.51 1igj s ASN 209 CO 0.31 -0.29 0.07 -0.69 -2.57 0.00 0.00 177.10 173.93 1igj s VAL 210 N 1.64 4.72 -0.18 1.60 1.01 0.96 -2.09 120.40 128.06 1igj s VAL 210 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1igj s VAL 210 Cb -0.15 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1igj s VAL 210 CO -0.10 0.43 -0.14 0.00 0.00 0.00 0.00 175.10 175.28 1igj s ALA 211 N 0.66 2.52 -0.89 5.51 0.00 -0.68 0.01 121.76 128.89 1igj s ALA 211 Ca 0.04 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 1igj s ALA 211 Cb -0.13 -1.33 0.22 0.00 0.00 0.00 0.00 23.12 21.88 1igj s ALA 211 CO 0.02 -0.24 0.80 -1.58 0.00 0.00 0.00 175.76 174.75 1igj s HIS 212 N 1.15 3.88 0.42 0.00 2.46 0.13 -2.43 115.29 120.90 1igj s HIS 212 Ca 0.01 -2.66 0.25 0.00 0.47 0.00 0.00 55.06 53.13 1igj s HIS 212 Cb -0.14 -3.52 1.38 0.00 -0.13 0.00 0.00 32.58 30.17 1igj s HIS 212 CO -0.05 -0.87 2.06 -1.35 -2.47 0.00 0.00 174.74 172.06 1igj h PRO 213 N 6.75 0.00 0.00 2.88 0.11 -1.76 -0.85 132.00 139.13 1igj h PRO 213 Ca 0.12 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1igj h PRO 213 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1igj h PRO 213 CO 0.85 0.13 -0.02 0.00 -0.21 0.00 0.00 178.00 178.75 1igj h ALA 214 N 1.87 1.32 0.00 -0.75 0.00 -1.92 -2.78 119.26 117.00 1igj h ALA 214 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1igj h ALA 214 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1igj h ALA 214 CO 0.02 0.02 -0.17 -1.13 0.00 0.00 0.00 179.25 177.99 1igj n SER 215 N -3.57 1.93 -3.84 0.00 3.41 -0.33 -5.00 113.62 106.22 1igj n SER 215 Ca -0.03 -3.06 -0.30 0.00 -0.26 0.00 0.00 58.87 55.22 1igj n SER 215 Cb 0.11 -0.42 -0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1igj n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1igj n SER 216 N -1.17 -4.03 -4.78 4.04 7.64 -1.05 -4.93 113.62 109.34 1igj n SER 216 Ca 0.14 -0.73 -0.36 0.00 1.01 0.00 0.00 58.87 58.93 1igj n SER 216 Cb 0.67 -3.27 -0.07 0.00 -1.01 0.00 0.00 64.21 60.53 1igj n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1igj s THR 217 N -3.18 5.35 -0.03 0.44 2.01 -1.18 -4.97 115.64 114.09 1igj s THR 217 Ca 0.61 0.40 -0.02 0.00 0.31 0.00 0.00 61.69 63.00 1igj s THR 217 Cb -0.32 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.67 1igj s THR 217 CO 0.76 0.48 0.07 -0.75 -0.69 0.00 0.00 174.62 174.49 1igj s LYS 218 N -0.10 0.04 -0.23 4.92 2.36 -1.26 0.17 119.74 125.65 1igj s LYS 218 Ca 0.15 0.21 -0.08 0.00 -2.55 0.00 0.00 55.97 53.69 1igj s LYS 218 Cb -0.13 -0.13 0.10 0.00 -1.05 0.00 0.00 37.83 36.62 1igj s LYS 218 CO 0.03 -0.11 0.50 0.08 1.55 0.00 0.00 175.35 177.40 1igj s VAL 219 N 0.74 -0.69 -0.13 4.02 1.01 0.10 -4.96 120.40 120.49 1igj s VAL 219 Ca -0.06 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 1igj s VAL 219 Cb -0.08 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1igj s VAL 219 CO -0.03 0.04 0.08 -1.81 0.00 0.00 0.00 175.10 173.38 1igj s ASP 220 N 2.58 5.84 -0.17 3.32 1.01 -1.26 -0.03 116.67 127.96 1igj s ASP 220 Ca -0.04 0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.48 1igj s ASP 220 Cb -0.11 -1.86 0.04 0.00 1.01 0.00 0.00 42.92 41.99 1igj s ASP 220 CO -0.15 0.33 -0.10 -0.75 0.21 0.00 0.00 175.17 174.71 1igj s LYS 221 N -0.56 1.90 0.15 8.23 2.47 -0.19 -4.98 119.74 126.76 1igj s LYS 221 Ca 0.11 -0.64 -0.30 0.00 -1.56 0.00 0.00 55.97 53.58 1igj s LYS 221 Cb -0.12 -2.17 -0.07 0.00 -1.46 0.00 0.00 37.83 34.02 1igj s LYS 221 CO 0.02 -0.37 0.98 0.21 0.16 0.00 0.00 175.35 176.35 1igj s LYS 222 N 1.51 4.71 -0.70 4.03 2.20 -1.26 -1.10 119.74 129.13 1igj s LYS 222 Ca 0.01 1.51 -0.15 0.00 -0.36 0.00 0.00 55.97 56.98 1igj s LYS 222 Cb -0.15 -3.34 0.18 0.00 -1.51 0.00 0.00 37.83 33.01 1igj s LYS 222 CO -0.09 0.25 0.64 0.42 -0.36 0.00 0.00 175.35 176.21 1igj s ILE 223 N -0.26 5.40 0.44 5.43 -1.09 -0.15 -4.88 121.20 126.09 1igj s ILE 223 Ca 0.46 -2.06 0.07 0.00 -2.23 0.00 0.00 60.65 56.89 1igj s ILE 223 Cb -0.25 -4.39 -0.03 0.00 -1.58 0.00 0.00 42.46 36.21 1igj s ILE 223 CO 0.31 -0.96 0.24 -1.61 -1.23 0.00 0.00 174.94 171.70 1igj s GLU 226 N 0.78 2.29 0.00 2.79 8.01 -1.26 -4.28 118.70 127.03 1igj s GLU 226 Ca 0.11 -1.83 0.00 0.00 0.01 0.00 0.00 54.97 53.27 1igj s GLU 226 Cb -0.19 -2.06 0.00 0.00 -4.31 0.00 0.00 34.13 27.57 1igj s GLU 226 CO -0.04 -0.21 0.26 -2.30 0.01 0.00 0.00 175.26 172.98