#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4g s VAL 3 N 0.00 2.84 0.00 1.39 1.01 0.32 -4.95 120.40 121.01 1h4g s VAL 3 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1h4g s VAL 3 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1h4g s VAL 3 CO 0.00 0.52 0.24 0.35 0.00 0.00 0.00 175.10 176.22 1h4g n THR 4 N 3.74 0.00 -3.93 3.92 -2.24 -1.26 -0.84 114.28 113.67 1h4g n THR 4 Ca -0.18 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 1h4g n THR 4 Cb 0.52 1.41 -0.02 0.00 -2.10 0.00 0.00 70.33 70.14 1h4g n THR 4 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1h4g s ASP 5 N -0.05 0.07 0.03 3.42 1.47 -1.26 -4.68 116.67 115.66 1h4g s ASP 5 Ca 0.00 -1.00 -0.33 0.00 1.18 0.00 0.00 52.55 52.40 1h4g s ASP 5 Cb 0.00 0.70 -0.12 0.00 -0.34 0.00 0.00 42.92 43.16 1h4g s ASP 5 CO 0.00 -1.36 1.80 0.59 0.68 0.00 0.00 175.17 176.88 1h4g n ASN 6 N -0.84 3.53 -3.55 2.11 3.02 -1.26 -4.72 115.26 113.54 1h4g n ASN 6 Ca -0.03 1.00 -0.09 0.00 -0.03 0.00 0.00 54.58 55.43 1h4g n ASN 6 Cb 0.61 -1.43 -0.04 0.00 -0.61 0.00 0.00 39.78 38.31 1h4g n ASN 6 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1h4g s SER 7 N 2.97 -0.34 0.20 6.41 1.04 -0.87 -5.00 113.70 118.10 1h4g s SER 7 Ca 0.86 0.21 0.09 0.00 0.48 0.00 0.00 55.95 57.60 1h4g s SER 7 Cb -0.63 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 65.76 1h4g s SER 7 CO 0.44 -0.43 -0.17 0.27 0.98 0.00 0.00 173.24 174.34 1h4g s ILE 8 N -1.96 1.91 0.03 -1.02 -4.36 -1.26 -1.54 121.20 113.00 1h4g s ILE 8 Ca 0.02 -2.14 -0.08 0.00 -0.26 0.00 0.00 60.65 58.19 1h4g s ILE 8 Cb -0.01 -2.02 0.03 0.00 1.25 0.00 0.00 42.46 41.71 1h4g s ILE 8 CO -0.03 -0.45 0.39 0.61 0.24 0.00 0.00 174.94 175.70 1h4g n GLY 9 N -0.17 0.84 3.00 6.27 0.00 -0.88 -5.01 105.19 109.24 1h4g n GLY 9 Ca -0.09 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 1h4g n GLY 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h4g s ASN 10 N -1.89 2.02 -0.11 1.61 3.84 -1.26 -0.63 114.94 118.52 1h4g s ASN 10 Ca 0.09 -0.33 -0.01 0.00 0.21 0.00 0.00 52.86 52.82 1h4g s ASN 10 Cb -0.01 -0.89 0.03 0.00 -0.55 0.00 0.00 41.25 39.84 1h4g s ASN 10 CO 0.01 -0.01 -0.03 -2.28 -2.79 0.00 0.00 177.10 172.00 1h4g s HIS 11 N 0.99 1.16 -1.45 0.43 5.65 0.29 -4.80 115.29 117.55 1h4g s HIS 11 Ca -0.08 -0.56 -0.08 0.00 0.25 0.00 0.00 55.06 54.58 1h4g s HIS 11 Cb -0.15 -1.06 0.04 0.00 -1.18 0.00 0.00 32.58 30.24 1h4g s HIS 11 CO -0.00 -0.46 0.69 -0.25 -0.65 0.00 0.00 174.74 174.07 1h4g n ASP 12 N 5.02 -5.14 0.00 9.88 9.92 -1.26 -1.31 116.55 133.66 1h4g n ASP 12 Ca -0.10 -0.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.73 1h4g n ASP 12 Cb 0.50 -4.15 0.00 0.00 -0.64 0.00 0.00 41.12 36.82 1h4g n ASP 12 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1h4g n GLY 13 N -1.49 1.66 3.79 0.44 0.00 -1.26 -4.61 105.19 103.72 1h4g n GLY 13 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1h4g n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h4g s TYR 14 N -2.78 3.48 -0.25 1.61 1.51 -0.43 -4.65 117.35 115.84 1h4g s TYR 14 Ca 0.00 0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 56.18 1h4g s TYR 14 Cb 0.00 -2.07 -0.00 0.00 -0.11 0.00 0.00 41.96 39.77 1h4g s TYR 14 CO 0.00 0.47 1.29 -0.51 -1.11 0.00 0.00 175.55 175.69 1h4g s ASP 15 N -0.18 6.76 0.20 2.29 1.01 0.44 -0.55 116.67 126.65 1h4g s ASP 15 Ca 0.11 1.38 0.06 0.00 0.71 0.00 0.00 52.55 54.81 1h4g s ASP 15 Cb -0.11 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 1h4g s ASP 15 CO 0.00 -0.97 0.14 -0.72 0.21 0.00 0.00 175.17 173.83 1h4g s TYR 16 N 4.09 3.07 -0.17 4.23 -0.85 0.20 -0.82 117.35 127.10 1h4g s TYR 16 Ca 0.56 -0.08 -0.16 0.00 -0.52 0.00 0.00 57.07 56.87 1h4g s TYR 16 Cb -0.18 -1.44 0.04 0.00 0.38 0.00 0.00 41.96 40.76 1h4g s TYR 16 CO 0.20 0.53 0.45 -2.00 -1.52 0.00 0.00 175.55 173.21 1h4g s GLU 17 N -3.39 0.53 -0.15 -3.49 2.12 -0.51 -2.08 118.70 111.73 1h4g s GLU 17 Ca 0.31 0.63 -0.02 0.00 0.36 0.00 0.00 54.97 56.26 1h4g s GLU 17 Cb -0.09 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 1h4g s GLU 17 CO 0.23 -0.06 -0.09 0.12 -0.54 0.00 0.00 175.26 174.91 1h4g s PHE 18 N 0.24 2.89 -0.04 5.30 2.19 -0.59 -1.74 117.98 126.23 1h4g s PHE 18 Ca -0.00 -0.56 -0.02 0.00 0.33 0.00 0.00 56.93 56.68 1h4g s PHE 18 Cb -0.03 -1.90 0.02 0.00 -1.31 0.00 0.00 43.02 39.80 1h4g s PHE 18 CO 0.01 -0.18 0.08 -0.46 1.83 0.00 0.00 175.22 176.50 1h4g s TRP 19 N 0.44 -0.08 0.08 10.12 -0.00 -0.51 -2.06 118.94 126.94 1h4g s TRP 19 Ca -0.07 0.27 -0.08 0.00 -0.00 0.00 0.00 56.10 56.21 1h4g s TRP 19 Cb -0.15 -0.08 -0.00 0.00 -0.00 0.00 0.00 33.47 33.24 1h4g s TRP 19 CO 0.04 -0.09 0.18 -1.59 -0.00 0.00 0.00 176.95 175.49 1h4g s LYS 20 N 0.68 0.82 0.75 5.86 -2.85 -1.26 -0.33 119.74 123.40 1h4g s LYS 20 Ca -0.05 -0.94 -0.01 0.00 -1.00 0.00 0.00 55.97 53.97 1h4g s LYS 20 Cb -0.07 0.33 0.15 0.00 -2.06 0.00 0.00 37.83 36.18 1h4g s LYS 20 CO -0.03 -0.25 1.02 -0.40 0.10 0.00 0.00 175.35 175.79 1h4g n ASP 21 N 0.02 1.29 -4.77 0.03 5.68 -0.96 -4.91 116.55 112.92 1h4g n ASP 21 Ca -0.15 -2.11 -0.34 0.00 -0.50 0.00 0.00 54.79 51.69 1h4g n ASP 21 Cb 0.62 -0.67 0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1h4g n ASP 21 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1h4g s SER 22 N -5.13 5.34 0.00 -1.12 1.04 -1.26 -4.80 113.70 107.77 1h4g s SER 22 Ca 0.67 2.10 0.00 0.00 0.48 0.00 0.00 55.95 59.20 1h4g s SER 22 Cb -0.04 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1h4g s SER 22 CO 0.45 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1h4g n GLY 23 N -0.17 2.82 7.00 7.32 0.00 -1.26 -4.50 105.19 116.40 1h4g n GLY 23 Ca 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1h4g n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4g n GLY 24 N 1.14 0.00 3.42 -0.02 0.00 -1.22 -4.19 105.19 104.31 1h4g n GLY 24 Ca 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1h4g n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h4g s SER 25 N -4.00 -0.04 0.08 1.61 1.04 -0.54 -4.95 113.70 106.91 1h4g s SER 25 Ca 0.00 -0.83 -0.20 0.00 0.48 0.00 0.00 55.95 55.40 1h4g s SER 25 Cb 0.00 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.66 1h4g s SER 25 CO 0.00 -0.97 0.48 -0.83 0.98 0.00 0.00 173.24 172.90 1h4g s GLY 26 N -2.97 -0.39 -0.04 7.32 0.00 -1.26 -0.59 107.32 109.40 1h4g s GLY 26 Ca 0.18 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.26 1h4g s GLY 26 CO 0.02 0.08 -0.01 -1.59 0.00 0.00 0.00 173.10 171.60 1h4g s THR 27 N -3.00 0.26 -0.08 0.90 2.01 -0.12 -4.57 115.64 111.04 1h4g s THR 27 Ca -0.02 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1h4g s THR 27 Cb -0.00 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 1h4g s THR 27 CO -0.06 0.17 -0.23 -0.32 -0.69 0.00 0.00 174.62 173.49 1h4g s MET 28 N 1.13 2.81 -0.20 4.92 0.00 -0.02 -1.19 119.30 126.75 1h4g s MET 28 Ca -0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 55.69 54.70 1h4g s MET 28 Cb -0.14 -2.27 -0.02 0.00 0.00 0.00 0.00 34.83 32.40 1h4g s MET 28 CO -0.02 0.31 -0.01 0.42 0.00 0.00 0.00 175.02 175.72 1h4g s ILE 29 N 0.04 3.81 -0.30 10.11 -1.09 -0.04 -0.52 121.20 133.21 1h4g s ILE 29 Ca -0.09 -0.36 -0.24 0.00 -2.23 0.00 0.00 60.65 57.73 1h4g s ILE 29 Cb -0.15 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 1h4g s ILE 29 CO 0.06 0.43 0.82 -0.76 -1.23 0.00 0.00 174.94 174.25 1h4g s LEU 30 N 1.11 4.07 0.00 2.97 1.43 -1.26 -1.36 118.68 125.63 1h4g s LEU 30 Ca 0.02 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 1h4g s LEU 30 Cb -0.14 -3.14 0.03 0.00 0.03 0.00 0.00 46.19 42.97 1h4g s LEU 30 CO 0.01 -0.62 0.26 0.59 0.23 0.00 0.00 176.35 176.82 1h4g n ASN 31 N 6.23 2.98 -4.68 2.29 5.03 -0.56 -4.96 115.26 121.59 1h4g n ASN 31 Ca 0.05 -3.00 -0.39 0.00 0.87 0.00 0.00 54.58 52.10 1h4g n ASN 31 Cb 0.48 0.10 0.03 0.00 -1.02 0.00 0.00 39.78 39.38 1h4g n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1h4g n HIS 32 N -1.59 1.74 0.00 3.10 1.44 -1.26 -4.13 115.22 114.52 1h4g n HIS 32 Ca -0.09 0.47 0.00 0.00 -2.01 0.00 0.00 57.72 56.09 1h4g n HIS 32 Cb 0.63 -2.29 0.00 0.00 0.12 0.00 0.00 29.99 28.44 1h4g n HIS 32 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1h4g n GLY 33 N 0.96 3.68 0.50 -1.39 0.00 -1.26 -1.11 105.19 106.57 1h4g n GLY 33 Ca 0.10 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1h4g n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4g n GLY 34 N 0.00 0.22 3.88 -0.02 0.00 -1.22 -4.63 105.19 103.41 1h4g n GLY 34 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1h4g n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h4g s THR 35 N -1.73 4.81 0.06 2.61 -4.23 -0.26 -4.65 115.64 112.25 1h4g s THR 35 Ca 0.27 0.58 -0.27 0.00 -1.18 0.00 0.00 61.69 61.08 1h4g s THR 35 Cb 0.14 -3.72 0.09 0.00 1.34 0.00 0.00 72.50 70.35 1h4g s THR 35 CO 0.20 -0.45 0.89 0.72 -0.54 0.00 0.00 174.62 175.45 1h4g s PHE 36 N -2.28 -0.29 0.23 3.99 -0.71 -0.89 -1.50 117.98 116.54 1h4g s PHE 36 Ca 0.50 0.09 0.06 0.00 -1.04 0.00 0.00 56.93 56.54 1h4g s PHE 36 Cb -0.10 0.57 -0.05 0.00 -1.21 0.00 0.00 43.02 42.23 1h4g s PHE 36 CO 0.29 -0.66 -0.07 -1.54 -1.34 0.00 0.00 175.22 171.91 1h4g s SER 37 N -2.65 2.30 -0.02 1.98 1.04 -0.47 -0.40 113.70 115.48 1h4g s SER 37 Ca 0.07 -1.14 -0.16 0.00 0.48 0.00 0.00 55.95 55.20 1h4g s SER 37 Cb -0.01 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.05 1h4g s SER 37 CO -0.06 -0.36 0.35 0.00 0.98 0.00 0.00 173.24 174.15 1h4g s ALA 38 N -3.17 -0.88 -0.01 5.32 0.00 0.04 -0.86 121.76 122.21 1h4g s ALA 38 Ca 0.26 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1h4g s ALA 38 Cb 0.03 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1h4g s ALA 38 CO 0.08 -0.27 -0.02 -1.14 0.00 0.00 0.00 175.76 174.41 1h4g s GLN 39 N -1.29 0.25 0.02 0.00 2.00 -0.33 -1.22 119.66 119.09 1h4g s GLN 39 Ca -0.13 -0.06 0.00 0.00 -2.00 0.00 0.00 55.36 53.17 1h4g s GLN 39 Cb -0.05 -0.28 -0.02 0.00 0.80 0.00 0.00 33.01 33.46 1h4g s GLN 39 CO 0.05 0.02 -0.04 1.67 -0.50 0.00 0.00 175.29 176.49 1h4g s TRP 40 N 0.17 0.32 -0.04 1.67 -2.14 -0.22 -0.94 118.94 117.77 1h4g s TRP 40 Ca -0.01 -0.50 -0.02 0.00 2.66 0.00 0.00 56.10 58.22 1h4g s TRP 40 Cb -0.04 -0.22 0.03 0.00 -3.10 0.00 0.00 33.47 30.14 1h4g s TRP 40 CO -0.00 -0.16 0.06 -0.80 -2.66 0.00 0.00 176.95 173.38 1h4g s ASN 41 N -1.42 1.09 -1.46 -2.66 -0.87 0.24 -1.12 114.94 108.75 1h4g s ASN 41 Ca -0.14 0.07 -0.08 0.00 -1.57 0.00 0.00 52.86 51.14 1h4g s ASN 41 Cb -0.10 -0.14 0.05 0.00 -0.02 0.00 0.00 41.25 41.04 1h4g s ASN 41 CO -0.01 -0.24 0.80 0.59 -2.57 0.00 0.00 177.10 175.67 1h4g n ASN 42 N 5.23 -2.85 -4.91 -1.22 3.02 -1.03 -1.47 115.26 112.03 1h4g n ASN 42 Ca -0.05 -0.84 -0.27 0.00 -0.03 0.00 0.00 54.58 53.39 1h4g n ASN 42 Cb 0.50 -3.73 0.03 0.00 -0.61 0.00 0.00 39.78 35.98 1h4g n ASN 42 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1h4g s VAL 43 N -3.51 3.61 -0.00 2.41 -7.23 -0.88 -3.43 120.40 111.36 1h4g s VAL 43 Ca 0.36 0.10 -0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1h4g s VAL 43 Cb -0.18 -3.45 -0.00 0.00 0.56 0.00 0.00 36.38 33.30 1h4g s VAL 43 CO 0.84 -0.50 -0.00 0.78 -0.31 0.00 0.00 175.10 175.91 1h4g h ASN 44 N -0.28 0.00 -3.66 4.85 4.21 -1.79 -2.88 115.58 116.03 1h4g h ASN 44 Ca -0.45 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 56.77 1h4g h ASN 44 Cb 1.26 0.00 -0.31 0.00 -1.12 0.00 0.00 38.32 38.15 1h4g h ASN 44 CO 0.61 0.02 -0.73 0.21 -1.29 0.00 0.00 177.43 176.25 1h4g s ASN 45 N -3.29 0.23 -0.02 5.81 3.04 -1.26 -0.59 114.94 118.85 1h4g s ASN 45 Ca -0.00 -0.02 -0.04 0.00 0.04 0.00 0.00 52.86 52.85 1h4g s ASN 45 Cb 0.00 -0.08 0.00 0.00 -1.54 0.00 0.00 41.25 39.63 1h4g s ASN 45 CO 0.00 -0.04 0.09 -0.51 -3.04 0.00 0.00 177.10 173.60 1h4g s ILE 46 N 0.43 0.03 -0.01 -5.21 2.07 -0.63 -2.28 121.20 115.61 1h4g s ILE 46 Ca -0.04 -0.27 0.03 0.00 -1.41 0.00 0.00 60.65 58.96 1h4g s ILE 46 Cb -0.06 -0.22 -0.01 0.00 0.13 0.00 0.00 42.46 42.30 1h4g s ILE 46 CO -0.01 -0.15 -0.09 -0.76 -1.91 0.00 0.00 174.94 172.02 1h4g s LEU 47 N -0.46 1.98 -0.07 8.50 1.02 0.55 -0.54 118.68 129.66 1h4g s LEU 47 Ca -0.05 -0.17 0.03 0.00 0.02 0.00 0.00 54.13 53.95 1h4g s LEU 47 Cb -0.03 -0.50 0.01 0.00 0.02 0.00 0.00 46.19 45.68 1h4g s LEU 47 CO 0.00 0.11 -0.17 -0.36 0.02 0.00 0.00 176.35 175.95 1h4g s PHE 48 N -0.16 1.85 0.03 0.29 0.08 -0.11 -1.42 117.98 118.55 1h4g s PHE 48 Ca 0.03 -0.69 -0.23 0.00 0.12 0.00 0.00 56.93 56.15 1h4g s PHE 48 Cb -0.04 -1.29 0.05 0.00 -0.57 0.00 0.00 43.02 41.17 1h4g s PHE 48 CO -0.00 -0.30 0.54 -0.98 -0.10 0.00 0.00 175.22 174.37 1h4g s ARG 49 N 0.46 1.03 -0.02 0.44 1.70 -0.71 -0.88 118.95 120.97 1h4g s ARG 49 Ca -0.14 -0.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 1h4g s ARG 49 Cb -0.16 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.72 1h4g s ARG 49 CO 0.05 -0.37 -0.00 0.15 -1.08 0.00 0.00 175.30 174.05 1h4g s LYS 50 N -2.26 0.23 0.00 3.89 1.02 -0.87 -1.42 119.74 120.34 1h4g s LYS 50 Ca -0.06 0.05 0.00 0.00 0.02 0.00 0.00 55.97 55.98 1h4g s LYS 50 Cb -0.01 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.91 1h4g s LYS 50 CO -0.00 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1h4g n GLY 51 N 3.90 1.50 3.08 -3.33 0.00 -0.00 -2.23 105.19 108.10 1h4g n GLY 51 Ca -0.24 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1h4g n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h4g s LYS 52 N 4.74 1.82 -0.03 1.61 2.47 -0.09 -0.42 119.74 129.83 1h4g s LYS 52 Ca 0.00 -0.52 -0.08 0.00 -1.56 0.00 0.00 55.97 53.82 1h4g s LYS 52 Cb 0.00 -1.51 -0.05 0.00 -1.46 0.00 0.00 37.83 34.81 1h4g s LYS 52 CO 0.00 0.12 0.25 0.15 0.16 0.00 0.00 175.35 176.03 1h4g s LYS 53 N 0.40 3.58 0.35 4.03 1.02 -1.26 -1.46 119.74 126.39 1h4g s LYS 53 Ca -0.11 -0.04 0.09 0.00 0.02 0.00 0.00 55.97 55.94 1h4g s LYS 53 Cb -0.14 -3.12 -0.06 0.00 -0.52 0.00 0.00 37.83 33.98 1h4g s LYS 53 CO 0.04 0.69 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.02 1h4g s PHE 54 N -1.20 2.43 -0.56 3.18 0.08 0.37 -4.96 117.98 117.31 1h4g s PHE 54 Ca 0.24 -0.50 0.09 0.00 0.12 0.00 0.00 56.93 56.89 1h4g s PHE 54 Cb -0.13 -1.41 0.54 0.00 -0.57 0.00 0.00 43.02 41.44 1h4g s PHE 54 CO 0.13 0.57 1.32 0.27 -0.10 0.00 0.00 175.22 177.41 1h4g n ASN 55 N -0.82 4.05 -2.06 1.36 0.23 -1.26 -4.64 115.26 112.12 1h4g n ASN 55 Ca -0.05 -2.59 -0.17 0.00 -0.53 0.00 0.00 54.58 51.24 1h4g n ASN 55 Cb 0.63 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 1h4g n ASN 55 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1h4g n GLU 56 N 0.43 -1.95 0.00 -3.83 1.02 -1.10 -4.90 120.64 110.31 1h4g n GLU 56 Ca 0.18 0.80 0.01 0.00 -0.02 0.00 0.00 57.16 58.14 1h4g n GLU 56 Cb 0.86 -5.26 -0.01 0.00 -0.02 0.00 0.00 31.44 27.00 1h4g n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1h4g n THR 57 N -4.08 0.00 -5.12 2.62 -2.24 -1.26 -4.86 114.28 99.34 1h4g n THR 57 Ca -0.18 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 60.87 1h4g n THR 57 Cb 0.64 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.72 1h4g n THR 57 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1h4g s GLN 58 N -1.15 1.98 0.95 -0.78 -0.21 -1.26 -4.99 119.66 114.20 1h4g s GLN 58 Ca 0.01 -0.81 -0.12 0.00 0.02 0.00 0.00 55.36 54.46 1h4g s GLN 58 Cb 0.02 -1.83 0.16 0.00 1.00 0.00 0.00 33.01 32.36 1h4g s GLN 58 CO 0.10 0.44 1.10 0.95 -2.12 0.00 0.00 175.29 175.75 1h4g s THR 59 N -0.38 2.24 0.37 -0.19 -4.23 -1.26 -0.49 115.64 111.70 1h4g s THR 59 Ca 0.05 0.08 0.05 0.00 -1.18 0.00 0.00 61.69 60.68 1h4g s THR 59 Cb -0.10 -2.62 0.23 0.00 1.34 0.00 0.00 72.50 71.35 1h4g s THR 59 CO 0.00 -0.10 1.99 1.12 -0.54 0.00 0.00 174.62 177.09 1h4g h HIS 60 N -1.72 0.62 -0.38 3.99 -0.00 -1.94 -1.19 115.15 114.52 1h4g h HIS 60 Ca -0.52 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 59.80 1h4g h HIS 60 Cb 1.32 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 28.51 1h4g h HIS 60 CO 0.33 0.45 0.08 1.96 -0.00 0.00 0.00 177.93 180.75 1h4g h GLN 61 N 0.64 0.57 -0.08 5.12 7.50 -1.91 -1.69 115.11 125.26 1h4g h GLN 61 Ca 0.16 -0.10 -0.20 0.00 0.50 0.00 0.00 58.65 59.01 1h4g h GLN 61 Cb 0.05 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.48 1h4g h GLN 61 CO -0.02 0.53 -0.79 1.96 -1.50 0.00 0.00 178.83 179.01 1h4g h GLN 62 N 0.55 0.51 -0.73 1.46 4.20 -1.67 -2.89 115.11 116.55 1h4g h GLN 62 Ca 0.13 -0.44 0.01 0.00 0.06 0.00 0.00 58.65 58.40 1h4g h GLN 62 Cb 0.24 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1h4g h GLN 62 CO -0.00 1.08 0.48 0.28 -0.67 0.00 0.00 178.83 180.00 1h4g h VAL 63 N 0.34 1.18 0.00 -0.54 2.07 -0.94 -3.49 116.25 114.87 1h4g h VAL 63 Ca -0.05 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1h4g h VAL 63 Cb 1.39 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1h4g h VAL 63 CO 0.14 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.52 1h4g n GLY 64 N -1.30 -0.05 3.71 2.17 0.00 -0.66 -4.78 105.19 104.28 1h4g n GLY 64 Ca 0.07 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1h4g n GLY 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h4g s ASN 65 N -3.59 7.04 -0.09 1.61 2.47 -1.26 -4.74 114.94 116.38 1h4g s ASN 65 Ca 0.00 2.08 0.02 0.00 0.42 0.00 0.00 52.86 55.38 1h4g s ASN 65 Cb 0.00 -2.58 -0.02 0.00 -1.45 0.00 0.00 41.25 37.20 1h4g s ASN 65 CO 0.00 -0.49 -0.16 -0.04 -3.72 0.00 0.00 177.10 172.68 1h4g s MET 66 N 1.00 2.95 -0.11 0.43 -1.94 -1.26 -0.12 119.30 120.25 1h4g s MET 66 Ca 0.59 -0.74 -0.10 0.00 -1.71 0.00 0.00 55.69 53.73 1h4g s MET 66 Cb -0.31 -2.45 0.03 0.00 2.01 0.00 0.00 34.83 34.12 1h4g s MET 66 CO 0.30 0.37 0.30 0.45 -0.01 0.00 0.00 175.02 176.42 1h4g s SER 67 N -0.07 -0.31 -0.08 3.03 0.15 -0.73 -2.09 113.70 113.59 1h4g s SER 67 Ca -0.03 0.60 0.03 0.00 0.70 0.00 0.00 55.95 57.25 1h4g s SER 67 Cb -0.14 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 1h4g s SER 67 CO 0.04 -0.11 -0.19 -0.63 1.20 0.00 0.00 173.24 173.55 1h4g s ILE 68 N 0.29 1.66 -0.20 6.45 1.01 -0.33 -0.74 121.20 129.34 1h4g s ILE 68 Ca -0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 1h4g s ILE 68 Cb -0.03 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1h4g s ILE 68 CO -0.01 0.47 0.11 0.21 0.00 0.00 0.00 174.94 175.73 1h4g s ASN 69 N 0.46 6.01 0.19 3.58 3.84 -0.48 -0.15 114.94 128.40 1h4g s ASN 69 Ca -0.17 0.16 -0.06 0.00 0.21 0.00 0.00 52.86 53.00 1h4g s ASN 69 Cb -0.17 -2.05 -0.02 0.00 -0.55 0.00 0.00 41.25 38.45 1h4g s ASN 69 CO 0.07 0.16 0.25 -0.72 -2.79 0.00 0.00 177.10 174.06 1h4g s TYR 70 N 0.50 0.71 -0.26 0.43 1.13 -0.17 -0.73 117.35 118.96 1h4g s TYR 70 Ca 0.07 -1.03 -0.22 0.00 -1.41 0.00 0.00 57.07 54.48 1h4g s TYR 70 Cb -0.12 -0.22 0.07 0.00 -1.10 0.00 0.00 41.96 40.59 1h4g s TYR 70 CO -0.00 -0.74 0.68 0.20 -2.51 0.00 0.00 175.55 173.18 1h4g s GLY 71 N -3.06 -0.54 -0.02 5.49 0.00 -0.23 -1.23 107.32 107.74 1h4g s GLY 71 Ca 0.27 2.04 -0.08 0.00 0.00 0.00 0.00 44.72 46.95 1h4g s GLY 71 CO 0.07 1.83 0.18 0.00 0.00 0.00 0.00 173.10 175.18 1h4g s ALA 72 N 0.66 -0.44 -0.40 3.20 0.00 -0.01 -1.42 121.76 123.36 1h4g s ALA 72 Ca -0.02 0.11 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 1h4g s ALA 72 Cb -0.05 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1h4g s ALA 72 CO -0.04 -0.19 0.61 1.21 0.00 0.00 0.00 175.76 177.35 1h4g s ASN 73 N -1.00 6.35 -0.28 0.00 2.47 0.45 -4.77 114.94 118.16 1h4g s ASN 73 Ca -0.11 -0.15 -0.01 0.00 0.42 0.00 0.00 52.86 53.01 1h4g s ASN 73 Cb -0.06 -2.31 0.04 0.00 -1.45 0.00 0.00 41.25 37.48 1h4g s ASN 73 CO 0.02 -0.66 -0.03 0.12 -3.72 0.00 0.00 177.10 172.83 1h4g s PHE 74 N 2.68 3.21 -0.55 0.43 5.36 -1.26 -0.82 117.98 127.03 1h4g s PHE 74 Ca 0.22 -1.82 0.07 0.00 -0.96 0.00 0.00 56.93 54.43 1h4g s PHE 74 Cb -0.15 -2.08 0.27 0.00 -0.34 0.00 0.00 43.02 40.73 1h4g s PHE 74 CO 0.16 -0.79 0.73 1.04 -1.46 0.00 0.00 175.22 174.90 1h4g n GLN 75 N 4.62 2.12 -2.50 10.12 1.13 0.56 -5.01 117.38 128.41 1h4g n GLN 75 Ca -0.14 -4.27 -0.35 0.00 -1.94 0.00 0.00 57.00 50.30 1h4g n GLN 75 Cb 0.44 -1.97 -0.03 0.00 0.11 0.00 0.00 30.24 28.79 1h4g n GLN 75 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1h4g s PRO 76 N -2.35 3.83 -0.79 -1.09 0.04 -1.25 -1.85 135.00 131.53 1h4g s PRO 76 Ca 0.40 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1h4g s PRO 76 Cb 0.19 -2.19 0.30 0.00 0.04 0.00 0.00 34.50 32.84 1h4g s PRO 76 CO -0.06 -0.42 1.17 0.09 0.04 0.00 0.00 177.00 177.82 1h4g n ASN 77 N -0.79 5.22 0.00 6.66 4.13 -0.01 -4.95 115.26 125.52 1h4g n ASN 77 Ca 0.09 -3.55 0.00 0.00 1.68 0.00 0.00 54.58 52.79 1h4g n ASN 77 Cb 0.52 -0.86 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 1h4g n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1h4g n GLY 78 N 0.47 0.61 3.68 7.41 0.00 -1.26 -3.73 105.19 112.37 1h4g n GLY 78 Ca 0.33 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1h4g n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h4g s ASN 79 N -4.00 7.15 -0.00 1.61 3.84 -1.26 -2.23 114.94 120.05 1h4g s ASN 79 Ca 0.00 1.43 -0.29 0.00 0.21 0.00 0.00 52.86 54.21 1h4g s ASN 79 Cb 0.00 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.27 1h4g s ASN 79 CO 0.00 -0.52 0.88 0.00 -2.79 0.00 0.00 177.10 174.67 1h4g s ALA 80 N 2.44 -1.81 0.07 1.71 0.00 -1.26 -1.95 121.76 120.96 1h4g s ALA 80 Ca 0.45 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.49 1h4g s ALA 80 Cb -0.17 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1h4g s ALA 80 CO 0.13 -0.69 -0.19 0.71 0.00 0.00 0.00 175.76 175.72 1h4g s TYR 81 N -3.13 1.68 -0.21 0.00 2.02 0.38 -1.65 117.35 116.44 1h4g s TYR 81 Ca 0.05 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1h4g s TYR 81 Cb -0.01 -0.96 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 1h4g s TYR 81 CO -0.09 0.13 -0.13 -1.17 -1.57 0.00 0.00 175.55 172.72 1h4g s LEU 82 N -1.53 2.69 0.28 -1.29 2.96 -0.33 -1.38 118.68 120.07 1h4g s LEU 82 Ca 0.06 -0.77 -0.18 0.00 -0.22 0.00 0.00 54.13 53.02 1h4g s LEU 82 Cb -0.09 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1h4g s LEU 82 CO 0.03 -0.06 0.66 0.00 -1.32 0.00 0.00 176.35 175.66 1h4g s VAL 84 N -3.78 5.41 0.03 0.00 1.01 0.08 -0.36 120.40 122.80 1h4g s VAL 84 Ca 0.15 0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 1h4g s VAL 84 Cb -0.04 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1h4g s VAL 84 CO 0.08 0.55 -0.03 -0.47 0.00 0.00 0.00 175.10 175.23 1h4g s TYR 85 N -0.57 0.35 -0.35 5.22 6.14 -0.07 -0.23 117.35 127.84 1h4g s TYR 85 Ca 0.15 -0.71 0.00 0.00 0.64 0.00 0.00 57.07 57.15 1h4g s TYR 85 Cb -0.12 -0.26 0.00 0.00 0.42 0.00 0.00 41.96 42.00 1h4g s TYR 85 CO 0.04 -0.25 0.00 0.41 0.64 0.00 0.00 175.55 176.39 1h4g n GLY 86 N 1.11 -0.75 3.12 8.97 0.00 -0.83 -0.73 105.19 116.09 1h4g n GLY 86 Ca -0.21 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1h4g n GLY 86 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h4g s TRP 87 N -3.00 0.20 0.32 1.61 0.52 -1.10 -0.86 118.94 116.63 1h4g s TRP 87 Ca 0.00 -0.52 0.07 0.00 0.02 0.00 0.00 56.10 55.67 1h4g s TRP 87 Cb 0.00 -0.14 -0.06 0.00 -1.15 0.00 0.00 33.47 32.11 1h4g s TRP 87 CO 0.00 -0.38 -0.05 0.95 0.02 0.00 0.00 176.95 177.49 1h4g s THR 88 N -2.76 1.80 0.04 2.01 -4.23 -0.11 -0.90 115.64 111.49 1h4g s THR 88 Ca -0.04 -2.12 0.07 0.00 -1.18 0.00 0.00 61.69 58.42 1h4g s THR 88 Cb -0.00 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1h4g s THR 88 CO -0.05 -0.20 -0.19 0.68 -0.54 0.00 0.00 174.62 174.31 1h4g s VAL 89 N -2.90 1.55 -1.04 2.29 -7.23 -0.15 -1.66 120.40 111.27 1h4g s VAL 89 Ca 0.32 -1.15 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 1h4g s VAL 89 Cb 0.05 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 1h4g s VAL 89 CO 0.14 0.17 0.83 0.47 -0.31 0.00 0.00 175.10 176.40 1h4g n ASP 90 N 1.87 -6.22 -4.88 4.85 8.00 -1.26 -0.50 116.55 118.40 1h4g n ASP 90 Ca -0.17 -0.76 -0.30 0.00 0.71 0.00 0.00 54.79 54.27 1h4g n ASP 90 Cb 0.54 -4.36 -0.03 0.00 -0.02 0.00 0.00 41.12 37.24 1h4g n ASP 90 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1h4g s PRO 91 N -4.86 3.74 -0.24 -0.24 0.04 -1.26 -4.35 135.00 127.82 1h4g s PRO 91 Ca 0.39 0.31 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 1h4g s PRO 91 Cb -0.09 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1h4g s PRO 91 CO 0.80 0.08 1.53 -1.17 0.04 0.00 0.00 177.00 178.27 1h4g s LEU 92 N -3.64 3.89 -0.02 -3.56 2.96 -1.26 -4.02 118.68 113.03 1h4g s LEU 92 Ca 0.49 1.51 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 1h4g s LEU 92 Cb -0.10 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.08 1h4g s LEU 92 CO 0.30 -1.20 0.00 -0.69 -1.32 0.00 0.00 176.35 173.43 1h4g s VAL 93 N 4.96 0.13 -0.16 1.68 1.01 -0.66 -3.04 120.40 124.31 1h4g s VAL 93 Ca 0.67 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.64 1h4g s VAL 93 Cb -0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 1h4g s VAL 93 CO 0.27 0.12 0.18 -0.70 0.00 0.00 0.00 175.10 174.98 1h4g s GLU 94 N 0.92 4.00 0.13 2.72 2.12 -0.34 -0.94 118.70 127.32 1h4g s GLU 94 Ca -0.09 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.19 1h4g s GLU 94 Cb -0.12 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1h4g s GLU 94 CO -0.02 0.43 -0.11 1.52 -0.54 0.00 0.00 175.26 176.54 1h4g s TYR 95 N -0.05 1.27 -0.00 5.30 -0.85 -0.04 -1.39 117.35 121.59 1h4g s TYR 95 Ca 0.12 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 55.99 1h4g s TYR 95 Cb -0.12 -0.66 0.01 0.00 0.38 0.00 0.00 41.96 41.57 1h4g s TYR 95 CO 0.02 0.09 0.00 0.71 -1.52 0.00 0.00 175.55 174.85 1h4g s TYR 96 N -2.87 0.03 -0.31 -3.49 1.51 0.03 -1.97 117.35 110.26 1h4g s TYR 96 Ca 0.13 0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1h4g s TYR 96 Cb -0.00 -0.07 0.09 0.00 -0.11 0.00 0.00 41.96 41.87 1h4g s TYR 96 CO 0.01 -0.02 0.03 0.42 -1.11 0.00 0.00 175.55 174.88 1h4g s ILE 97 N 0.24 1.85 -0.28 2.71 1.01 0.68 -1.03 121.20 126.37 1h4g s ILE 97 Ca -0.02 -1.91 -0.11 0.00 0.00 0.00 0.00 60.65 58.61 1h4g s ILE 97 Cb -0.03 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 1h4g s ILE 97 CO -0.01 -0.49 0.19 -0.69 0.00 0.00 0.00 174.94 173.94 1h4g s VAL 98 N 1.15 5.30 -0.16 2.92 1.01 0.65 -0.74 120.40 130.53 1h4g s VAL 98 Ca 0.06 0.16 0.19 0.00 0.00 0.00 0.00 61.98 62.39 1h4g s VAL 98 Cb -0.19 -3.53 -0.26 0.00 0.00 0.00 0.00 36.38 32.40 1h4g s VAL 98 CO -0.11 0.25 0.17 0.47 0.00 0.00 0.00 175.10 175.87 1h4g n ASP 99 N 5.06 0.03 -3.97 3.32 9.92 -0.49 -1.14 116.55 129.30 1h4g n ASP 99 Ca -0.14 0.01 -0.10 0.00 -0.53 0.00 0.00 54.79 54.04 1h4g n ASP 99 Cb 0.52 1.15 -0.07 0.00 -0.64 0.00 0.00 41.12 42.08 1h4g n ASP 99 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1h4g s SER 100 N -5.33 0.02 0.33 -2.24 0.15 -1.04 -1.26 113.70 104.33 1h4g s SER 100 Ca -0.09 -0.88 -0.12 0.00 0.70 0.00 0.00 55.95 55.55 1h4g s SER 100 Cb 0.08 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.87 1h4g s SER 100 CO 0.84 -0.93 0.63 -1.66 1.20 0.00 0.00 173.24 173.33 1h4g s TRP 101 N -3.98 0.37 0.00 3.44 -2.14 -1.26 -1.19 118.94 114.18 1h4g s TRP 101 Ca 0.18 -0.83 0.00 0.00 2.66 0.00 0.00 56.10 58.11 1h4g s TRP 101 Cb 0.03 0.44 0.00 0.00 -3.10 0.00 0.00 33.47 30.84 1h4g s TRP 101 CO 0.01 -1.29 0.00 0.41 -2.66 0.00 0.00 176.95 173.43 1h4g n GLY 102 N -0.50 0.46 0.07 3.67 0.00 -0.66 -4.89 105.19 103.34 1h4g n GLY 102 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1h4g n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h4g n ASN 103 N 0.00 0.66 -3.86 1.61 4.13 -0.95 -4.79 115.26 112.07 1h4g n ASN 103 Ca 0.00 0.29 -0.24 0.00 1.68 0.00 0.00 54.58 56.31 1h4g n ASN 103 Cb 0.00 -0.25 -0.17 0.00 -1.54 0.00 0.00 39.78 37.82 1h4g n ASN 103 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 1h4g s TRP 104 N -3.11 1.08 -0.15 3.10 -0.00 -1.26 -5.07 118.94 113.53 1h4g s TRP 104 Ca 0.09 -0.44 -0.29 0.00 -0.00 0.00 0.00 56.10 55.46 1h4g s TRP 104 Cb 0.14 -0.99 -0.01 0.00 -0.00 0.00 0.00 33.47 32.61 1h4g s TRP 104 CO 0.65 -0.39 1.18 0.50 -0.00 0.00 0.00 176.95 178.89 1h4g s ARG 105 N 1.67 4.28 0.83 5.86 3.52 -1.26 -4.86 118.95 128.99 1h4g s ARG 105 Ca 0.02 1.57 -0.12 0.00 -0.13 0.00 0.00 55.73 57.07 1h4g s ARG 105 Cb -0.13 -3.67 0.09 0.00 -1.56 0.00 0.00 34.95 29.68 1h4g s ARG 105 CO -0.05 -0.59 1.17 -1.25 -0.81 0.00 0.00 175.30 173.76 1h4g s PRO 106 N 2.99 1.83 -0.10 5.12 0.04 -1.26 -4.22 135.00 139.41 1h4g s PRO 106 Ca 0.52 0.17 0.14 0.00 0.04 0.00 0.00 61.00 61.87 1h4g s PRO 106 Cb -0.21 -1.93 0.45 0.00 0.04 0.00 0.00 34.50 32.85 1h4g s PRO 106 CO 0.15 -1.70 1.37 -0.35 0.04 0.00 0.00 177.00 176.51 1h4g n PRO 107 N -3.40 2.98 -0.91 0.56 -0.04 -1.26 -4.90 135.00 128.04 1h4g n PRO 107 Ca 0.08 -2.51 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1h4g n PRO 107 Cb 0.60 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1h4g n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1h4g n GLY 108 N 0.04 0.48 3.89 0.55 0.00 -1.26 -5.05 105.19 103.83 1h4g n GLY 108 Ca 0.17 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 1h4g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4g s ALA 109 N -2.00 4.42 -0.04 4.61 0.00 -1.26 -5.11 121.76 122.38 1h4g s ALA 109 Ca 0.00 -1.06 -0.23 0.00 0.00 0.00 0.00 51.96 50.67 1h4g s ALA 109 Cb 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1h4g s ALA 109 CO 0.00 -0.39 0.70 0.99 0.00 0.00 0.00 175.76 177.07 1h4g s THR 110 N -2.80 4.97 0.57 0.00 2.01 -1.26 -5.03 115.64 114.10 1h4g s THR 110 Ca 0.29 1.46 -0.20 0.00 0.31 0.00 0.00 61.69 63.55 1h4g s THR 110 Cb -0.02 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1h4g s THR 110 CO 0.18 0.29 1.22 -2.84 -0.69 0.00 0.00 174.62 172.78 1h4g s PRO 111 N 0.51 3.08 -0.01 4.92 0.02 -1.26 -4.74 135.00 137.52 1h4g s PRO 111 Ca 0.37 1.87 0.17 0.00 0.02 0.00 0.00 61.00 63.43 1h4g s PRO 111 Cb -0.18 -2.02 -0.21 0.00 0.02 0.00 0.00 34.50 32.10 1h4g s PRO 111 CO 0.19 -1.13 0.57 1.63 -0.33 0.00 0.00 177.00 177.94 1h4g n LYS 112 N -1.39 1.16 -3.29 5.54 5.02 0.54 -5.01 118.16 120.73 1h4g n LYS 112 Ca 0.13 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1h4g n LYS 112 Cb 0.49 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1h4g n LYS 112 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h4g n GLY 113 N 1.44 -1.33 3.03 0.72 0.00 -1.23 -4.99 105.19 102.83 1h4g n GLY 113 Ca 0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1h4g n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h4g s THR 114 N -2.86 0.24 -0.03 2.61 -4.23 -1.26 -0.87 115.64 109.23 1h4g s THR 114 Ca 0.00 -1.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 1h4g s THR 114 Cb 0.00 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1h4g s THR 114 CO 0.00 -0.60 -0.11 -0.51 -0.54 0.00 0.00 174.62 172.86 1h4g s ILE 115 N -2.06 0.91 -0.23 2.99 2.07 -0.39 -4.96 121.20 119.52 1h4g s ILE 115 Ca -0.09 -0.42 -0.09 0.00 -1.41 0.00 0.00 60.65 58.64 1h4g s ILE 115 Cb -0.06 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 1h4g s ILE 115 CO -0.03 0.28 0.11 0.42 -1.91 0.00 0.00 174.94 173.81 1h4g s THR 116 N 0.21 4.86 -0.14 4.00 -4.23 -1.26 -0.69 115.64 118.38 1h4g s THR 116 Ca -0.04 0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.18 1h4g s THR 116 Cb -0.10 -3.25 0.10 0.00 1.34 0.00 0.00 72.50 70.59 1h4g s THR 116 CO 0.01 0.37 0.83 0.54 -0.54 0.00 0.00 174.62 175.83 1h4g s VAL 117 N 1.11 0.00 -1.52 2.29 0.11 0.11 -4.97 120.40 117.52 1h4g s VAL 117 Ca 0.06 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.02 1h4g s VAL 117 Cb -0.14 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.78 1h4g s VAL 117 CO 0.04 0.00 0.68 0.47 -3.33 0.00 0.00 175.10 172.96 1h4g n ASP 118 N 1.25 -2.27 0.00 3.54 8.00 -1.26 -1.34 116.55 124.47 1h4g n ASP 118 Ca -0.15 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1h4g n ASP 118 Cb 0.57 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 1h4g n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h4g n GLY 119 N -1.70 0.82 3.38 0.44 0.00 -1.26 -4.95 105.19 101.93 1h4g n GLY 119 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1h4g n GLY 119 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h4g s GLY 120 N -2.00 2.35 -0.12 -0.02 0.00 -0.45 -5.14 107.32 101.95 1h4g s GLY 120 Ca 0.00 -1.66 0.02 0.00 0.00 0.00 0.00 44.72 43.08 1h4g s GLY 120 CO 0.00 -1.64 -0.20 -1.59 0.00 0.00 0.00 173.10 169.67 1h4g s THR 121 N -3.41 2.32 -0.08 0.90 2.01 -1.26 -0.71 115.64 115.41 1h4g s THR 121 Ca 0.33 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1h4g s THR 121 Cb 0.03 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 1h4g s THR 121 CO 0.20 0.54 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.18 1h4g s TYR 122 N 0.52 2.63 0.23 4.92 1.51 0.13 -0.93 117.35 126.37 1h4g s TYR 122 Ca -0.13 -0.51 -0.27 0.00 -1.01 0.00 0.00 57.07 55.15 1h4g s TYR 122 Cb -0.17 -1.68 -0.09 0.00 -0.11 0.00 0.00 41.96 39.92 1h4g s TYR 122 CO 0.05 -0.08 0.88 -0.51 -1.11 0.00 0.00 175.55 174.78 1h4g s ASP 123 N -0.21 7.48 -0.13 2.29 1.01 -0.57 -1.27 116.67 125.27 1h4g s ASP 123 Ca -0.01 1.81 -0.03 0.00 0.71 0.00 0.00 52.55 55.03 1h4g s ASP 123 Cb -0.13 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 1h4g s ASP 123 CO 0.03 0.12 -0.02 -0.63 0.21 0.00 0.00 175.17 174.88 1h4g s ILE 124 N -1.28 4.04 0.11 0.77 1.01 -0.05 -0.69 121.20 125.10 1h4g s ILE 124 Ca 0.41 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1h4g s ILE 124 Cb -0.23 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1h4g s ILE 124 CO 0.28 0.53 -0.04 -0.31 0.00 0.00 0.00 174.94 175.40 1h4g s TYR 125 N -0.09 0.92 -0.04 3.97 1.51 -0.16 -0.34 117.35 123.13 1h4g s TYR 125 Ca 0.03 -0.97 -0.00 0.00 -1.01 0.00 0.00 57.07 55.12 1h4g s TYR 125 Cb -0.13 -0.54 0.03 0.00 -0.11 0.00 0.00 41.96 41.21 1h4g s TYR 125 CO 0.02 -0.20 0.00 -2.00 -1.11 0.00 0.00 175.55 172.26 1h4g s GLU 126 N -3.87 0.38 0.43 -0.62 2.12 -1.26 -1.15 118.70 114.72 1h4g s GLU 126 Ca 0.15 0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.60 1h4g s GLU 126 Cb 0.06 -0.61 -0.01 0.00 0.26 0.00 0.00 34.13 33.83 1h4g s GLU 126 CO -0.03 -0.18 0.11 0.25 -0.54 0.00 0.00 175.26 174.88 1h4g n THR 127 N 4.41 0.00 -3.97 -1.70 -2.24 -0.21 -4.97 114.28 105.60 1h4g n THR 127 Ca -0.21 -2.36 -0.15 0.00 -2.27 0.00 0.00 64.05 59.07 1h4g n THR 127 Cb 0.50 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 69.35 1h4g n THR 127 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1h4g s LEU 128 N 0.00 1.76 -0.17 3.22 2.96 -1.26 -0.90 118.68 124.29 1h4g s LEU 128 Ca 0.16 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1h4g s LEU 128 Cb 0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.55 1h4g s LEU 128 CO 0.11 -0.01 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.91 1h4g s ARG 129 N 0.25 3.38 -0.25 1.98 1.81 -0.19 -4.95 118.95 120.99 1h4g s ARG 129 Ca -0.02 -0.66 -0.06 0.00 -1.72 0.00 0.00 55.73 53.27 1h4g s ARG 129 Cb -0.04 -2.79 -0.01 0.00 -0.45 0.00 0.00 34.95 31.65 1h4g s ARG 129 CO -0.01 0.04 0.03 0.08 -0.68 0.00 0.00 175.30 174.77 1h4g s VAL 130 N 0.82 3.89 -1.16 3.52 1.01 -1.26 -1.11 120.40 126.10 1h4g s VAL 130 Ca -0.03 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1h4g s VAL 130 Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1h4g s VAL 130 CO 0.01 0.29 0.82 -3.20 0.00 0.00 0.00 175.10 173.02 1h4g n ASN 131 N 4.86 -4.30 -4.51 3.32 5.15 -0.81 -4.91 115.26 114.07 1h4g n ASN 131 Ca -0.16 -0.84 -0.24 0.00 -0.60 0.00 0.00 54.58 52.73 1h4g n ASN 131 Cb 0.50 -4.25 -0.11 0.00 -0.53 0.00 0.00 39.78 35.39 1h4g n ASN 131 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1h4g s GLN 132 N -5.45 1.76 0.53 1.20 -1.52 0.09 -4.66 119.66 111.62 1h4g s GLN 132 Ca 0.30 -1.96 -0.21 0.00 -1.95 0.00 0.00 55.36 51.54 1h4g s GLN 132 Cb -0.08 -1.27 -0.06 0.00 -0.22 0.00 0.00 33.01 31.38 1h4g s GLN 132 CO 0.80 -0.06 1.18 -2.30 -0.25 0.00 0.00 175.29 174.66 1h4g n PRO 133 N -0.78 1.43 -3.88 2.91 -0.02 -1.26 -1.24 135.00 132.16 1h4g n PRO 133 Ca -0.04 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 61.87 1h4g n PRO 133 Cb 0.66 -2.36 -0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1h4g n PRO 133 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1h4g s SER 134 N -0.95 0.08 0.16 2.55 1.04 -0.99 -4.83 113.70 110.75 1h4g s SER 134 Ca 0.71 -1.05 0.17 0.00 0.48 0.00 0.00 55.95 56.25 1h4g s SER 134 Cb -0.45 0.77 0.77 0.00 0.10 0.00 0.00 66.02 67.21 1h4g s SER 134 CO 0.50 -1.50 1.53 2.30 0.98 0.00 0.00 173.24 177.05 1h4g n ILE 135 N -0.50 1.09 -1.68 -1.02 -5.35 -1.26 -2.32 119.36 108.31 1h4g n ILE 135 Ca -0.05 0.37 -0.08 0.00 -0.27 0.00 0.00 62.75 62.71 1h4g n ILE 135 Cb 0.60 -1.27 0.14 0.00 -1.74 0.00 0.00 39.64 37.37 1h4g n ILE 135 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1h4g n LYS 136 N -1.92 2.34 0.00 6.28 4.76 -1.26 -5.09 118.16 123.26 1h4g n LYS 136 Ca 0.02 -3.55 0.00 0.00 -2.87 0.00 0.00 58.31 51.91 1h4g n LYS 136 Cb 0.14 -1.91 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 1h4g n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h4g n GLY 137 N -0.99 -1.82 3.69 0.72 0.00 -0.98 -4.75 105.19 101.06 1h4g n GLY 137 Ca 0.33 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1h4g n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h4g s ILE 138 N 0.00 3.32 0.25 -0.61 -1.09 -1.26 -2.36 121.20 119.45 1h4g s ILE 138 Ca 0.00 0.76 -0.22 0.00 -2.23 0.00 0.00 60.65 58.96 1h4g s ILE 138 Cb 0.00 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1h4g s ILE 138 CO 0.00 0.00 0.71 0.00 -1.23 0.00 0.00 174.94 174.43 1h4g s ALA 139 N 2.44 -1.31 -0.12 9.38 0.00 -0.37 -4.83 121.76 126.95 1h4g s ALA 139 Ca 0.69 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 1h4g s ALA 139 Cb -0.36 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 1h4g s ALA 139 CO 0.30 -0.99 0.01 0.99 0.00 0.00 0.00 175.76 176.07 1h4g s THR 140 N -3.86 4.39 0.01 0.00 2.01 -1.26 -0.73 115.64 116.20 1h4g s THR 140 Ca 0.09 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 61.67 1h4g s THR 140 Cb -0.05 -2.89 0.05 0.00 0.01 0.00 0.00 72.50 69.62 1h4g s THR 140 CO 0.03 0.55 0.51 0.72 -0.69 0.00 0.00 174.62 175.75 1h4g s PHE 141 N -0.39 -0.42 0.60 4.92 -0.71 -0.27 -4.90 117.98 116.81 1h4g s PHE 141 Ca 0.08 0.58 -0.12 0.00 -1.04 0.00 0.00 56.93 56.43 1h4g s PHE 141 Cb -0.12 0.29 -0.05 0.00 -1.21 0.00 0.00 43.02 41.93 1h4g s PHE 141 CO 0.02 -0.57 1.02 0.15 -1.34 0.00 0.00 175.22 174.50 1h4g s LYS 142 N -1.85 3.67 -0.10 1.99 1.02 -1.17 -1.02 119.74 122.28 1h4g s LYS 142 Ca -0.09 0.80 0.02 0.00 0.02 0.00 0.00 55.97 56.72 1h4g s LYS 142 Cb -0.01 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.21 1h4g s LYS 142 CO 0.03 -0.51 -0.18 -0.65 -0.92 0.00 0.00 175.35 173.12 1h4g s GLN 143 N -4.94 2.42 -0.10 1.68 -0.21 -0.08 -1.20 119.66 117.22 1h4g s GLN 143 Ca 0.56 -0.65 -0.03 0.00 0.02 0.00 0.00 55.36 55.26 1h4g s GLN 143 Cb -0.11 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 1h4g s GLN 143 CO 0.49 0.02 0.02 0.71 -2.12 0.00 0.00 175.29 174.41 1h4g s TYR 144 N 0.75 3.22 -0.01 0.91 2.02 -0.49 -1.05 117.35 122.71 1h4g s TYR 144 Ca -0.11 0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.82 1h4g s TYR 144 Cb -0.16 -1.83 -0.00 0.00 -0.40 0.00 0.00 41.96 39.57 1h4g s TYR 144 CO 0.02 0.47 -0.05 -1.58 -1.57 0.00 0.00 175.55 172.83 1h4g s TRP 145 N -0.78 0.49 -0.13 2.71 0.52 -0.30 -0.79 118.94 120.66 1h4g s TRP 145 Ca 0.12 -0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.17 1h4g s TRP 145 Cb -0.12 -0.33 0.00 0.00 -1.15 0.00 0.00 33.47 31.88 1h4g s TRP 145 CO 0.02 -0.02 -0.20 -1.12 0.02 0.00 0.00 176.95 175.65 1h4g s SER 146 N -0.06 3.31 -0.12 2.95 0.01 -0.20 -0.99 113.70 118.59 1h4g s SER 146 Ca 0.01 -0.53 -0.00 0.00 1.31 0.00 0.00 55.95 56.74 1h4g s SER 146 Cb -0.03 -1.47 0.03 0.00 0.21 0.00 0.00 66.02 64.75 1h4g s SER 146 CO -0.00 0.12 -0.09 -0.69 0.41 0.00 0.00 173.24 172.99 1h4g s VAL 147 N 0.58 1.15 0.67 3.43 1.01 0.13 -0.26 120.40 127.11 1h4g s VAL 147 Ca -0.12 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 1h4g s VAL 147 Cb -0.16 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1h4g s VAL 147 CO 0.03 0.37 1.26 -0.60 0.00 0.00 0.00 175.10 176.16 1h4g s ARG 148 N 1.66 2.46 0.31 2.72 3.52 -0.29 -1.51 118.95 127.82 1h4g s ARG 148 Ca 0.05 1.95 0.19 0.00 -0.13 0.00 0.00 55.73 57.79 1h4g s ARG 148 Cb -0.13 -1.85 0.14 0.00 -1.56 0.00 0.00 34.95 31.56 1h4g s ARG 148 CO -0.09 -1.64 1.40 0.00 -0.81 0.00 0.00 175.30 174.16 1h4g h ARG 149 N 0.32 0.00 -4.91 5.12 3.08 -1.39 -3.45 114.38 113.15 1h4g h ARG 149 Ca -0.50 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.20 1h4g h ARG 149 Cb 1.32 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.14 1h4g h ARG 149 CO 0.52 0.23 -0.76 -1.12 -1.07 0.00 0.00 179.97 177.77 1h4g s SER 150 N -6.17 1.23 0.44 7.04 0.01 -1.26 -5.11 113.70 109.87 1h4g s SER 150 Ca 0.04 -0.50 -0.23 0.00 1.31 0.00 0.00 55.95 56.57 1h4g s SER 150 Cb 0.07 -0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.19 1h4g s SER 150 CO 0.73 -0.09 1.13 -0.54 0.41 0.00 0.00 173.24 174.88 1h4g s LYS 151 N -1.36 3.91 0.11 12.44 1.02 -1.26 -4.90 119.74 129.69 1h4g s LYS 151 Ca -0.04 1.70 -0.09 0.00 0.02 0.00 0.00 55.97 57.56 1h4g s LYS 151 Cb -0.09 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1h4g s LYS 151 CO 0.01 -0.41 0.23 -0.98 -0.92 0.00 0.00 175.35 173.28 1h4g s ARG 152 N -2.60 0.93 -0.04 1.68 1.70 -0.39 -5.00 118.95 115.23 1h4g s ARG 152 Ca 0.61 -0.98 0.06 0.00 -0.47 0.00 0.00 55.73 54.95 1h4g s ARG 152 Cb -0.27 0.36 0.09 0.00 -0.57 0.00 0.00 34.95 34.56 1h4g s ARG 152 CO 0.33 -0.31 0.96 0.25 -1.08 0.00 0.00 175.30 175.45 1h4g n THR 153 N -0.11 0.70 -3.46 4.99 -2.24 -1.26 -3.78 114.28 109.12 1h4g n THR 153 Ca -0.14 -0.81 -0.14 0.00 -2.27 0.00 0.00 64.05 60.69 1h4g n THR 153 Cb 0.63 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 1h4g n THR 153 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h4g s SER 154 N -1.40 -0.60 0.00 3.42 1.04 -1.26 -0.83 113.70 114.07 1h4g s SER 154 Ca 0.10 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1h4g s SER 154 Cb 0.08 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1h4g s SER 154 CO 0.01 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1h4g n GLY 155 N 0.07 0.68 3.46 7.32 0.00 -0.37 -4.99 105.19 111.37 1h4g n GLY 155 Ca -0.18 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 1h4g n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h4g s THR 156 N -2.99 3.25 -0.26 2.61 2.01 -1.26 -1.00 115.64 118.00 1h4g s THR 156 Ca 0.00 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 1h4g s THR 156 Cb 0.00 -2.33 0.01 0.00 0.01 0.00 0.00 72.50 70.19 1h4g s THR 156 CO 0.00 0.56 0.01 -0.63 -0.69 0.00 0.00 174.62 173.87 1h4g s ILE 157 N -0.28 3.56 -1.29 1.82 1.01 0.79 -4.80 121.20 122.01 1h4g s ILE 157 Ca 0.03 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 1h4g s ILE 157 Cb -0.13 -2.76 0.12 0.00 0.01 0.00 0.00 42.46 39.70 1h4g s ILE 157 CO 0.03 0.22 1.74 -1.20 0.00 0.00 0.00 174.94 175.73 1h4g n SER 158 N 4.80 4.90 -0.18 3.58 7.64 -1.26 -1.18 113.62 131.92 1h4g n SER 158 Ca -0.16 -2.96 -0.01 0.00 1.01 0.00 0.00 58.87 56.74 1h4g n SER 158 Cb 0.49 -1.62 0.08 0.00 -1.01 0.00 0.00 64.21 62.15 1h4g n SER 158 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1h4g h VAL 159 N 4.65 0.69 0.00 0.44 2.07 -1.79 -1.12 116.25 121.18 1h4g h VAL 159 Ca 0.41 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.82 1h4g h VAL 159 Cb 0.79 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1h4g h VAL 159 CO 1.49 0.05 -0.16 0.28 0.02 0.00 0.00 177.57 179.24 1h4g h SER 160 N 0.25 0.00 -0.77 0.57 0.02 -1.80 -1.18 113.55 110.64 1h4g h SER 160 Ca 0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1h4g h SER 160 Cb 0.39 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 1h4g h SER 160 CO -0.36 0.16 0.48 0.78 -1.14 0.00 0.00 176.83 176.74 1h4g h ASN 161 N 0.00 0.91 -0.45 3.07 4.21 -1.50 -0.66 115.58 121.16 1h4g h ASN 161 Ca -0.00 -0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.43 1h4g h ASN 161 Cb 0.29 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.24 1h4g h ASN 161 CO 0.02 0.70 0.17 0.45 -1.29 0.00 0.00 177.43 177.48 1h4g h HIS 162 N 1.05 0.69 -0.51 1.19 3.86 -1.15 -0.89 115.15 119.40 1h4g h HIS 162 Ca 0.28 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1h4g h HIS 162 Cb -0.06 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 1h4g h HIS 162 CO -0.01 0.60 0.30 0.74 0.86 0.00 0.00 177.93 180.42 1h4g h PHE 163 N 0.59 0.56 -0.44 2.45 0.04 -1.04 0.07 116.94 119.16 1h4g h PHE 163 Ca 0.15 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 1h4g h PHE 163 Cb 0.20 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 1h4g h PHE 163 CO 0.00 0.32 -0.04 0.00 -0.60 0.00 0.00 178.31 177.99 1h4g h ARG 164 N 0.60 0.74 -0.34 1.51 3.08 -0.91 -1.79 114.38 117.26 1h4g h ARG 164 Ca 0.20 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1h4g h ARG 164 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1h4g h ARG 164 CO -0.09 0.78 0.11 0.00 -1.07 0.00 0.00 179.97 179.69 1h4g h ALA 165 N 1.27 0.45 -0.32 0.04 0.00 -0.28 0.08 119.26 120.49 1h4g h ALA 165 Ca 0.13 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1h4g h ALA 165 Cb 0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1h4g h ALA 165 CO 0.02 0.09 0.11 -1.49 0.00 0.00 0.00 179.25 177.98 1h4g h TRP 166 N 0.40 0.19 -0.30 0.00 6.55 -0.82 -1.96 115.95 120.02 1h4g h TRP 166 Ca 0.11 0.02 -0.07 0.00 0.95 0.00 0.00 58.89 59.90 1h4g h TRP 166 Cb 0.25 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.50 1h4g h TRP 166 CO 0.01 0.08 -0.10 0.93 -1.05 0.00 0.00 178.44 178.31 1h4g h GLU 167 N 0.25 0.51 -0.30 0.49 5.08 -1.17 0.19 114.58 119.62 1h4g h GLU 167 Ca 0.14 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1h4g h GLU 167 Cb 0.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1h4g h GLU 167 CO -0.15 0.61 0.15 -0.97 -1.00 0.00 0.00 179.01 177.66 1h4g h ASN 168 N 0.47 0.36 -0.29 1.42 -0.73 -0.40 -1.90 115.58 114.52 1h4g h ASN 168 Ca 0.09 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1h4g h ASN 168 Cb 0.47 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.97 1h4g h ASN 168 CO 0.03 0.30 0.00 0.18 -0.37 0.00 0.00 177.43 177.57 1h4g n LEU 169 N -4.45 1.60 0.00 0.34 4.77 -0.49 -4.89 117.00 113.87 1h4g n LEU 169 Ca 0.01 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1h4g n LEU 169 Cb 0.10 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1h4g n LEU 169 CO 0.36 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1h4g n GLY 170 N 0.99 0.61 3.38 -0.72 0.00 -0.71 -4.99 105.19 103.75 1h4g n GLY 170 Ca 0.11 -0.18 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 1h4g n GLY 170 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1h4g s MET 171 N -0.54 3.68 0.25 1.61 -1.94 -0.07 -4.98 119.30 117.32 1h4g s MET 171 Ca 0.00 -2.31 -0.30 0.00 -1.71 0.00 0.00 55.69 51.37 1h4g s MET 171 Cb 0.00 -4.63 -0.09 0.00 2.01 0.00 0.00 34.83 32.12 1h4g s MET 171 CO 0.00 -1.46 1.05 0.54 -0.01 0.00 0.00 175.02 175.14 1h4g s ASN 172 N 2.59 7.38 0.04 3.03 6.03 -1.26 -3.27 114.94 129.48 1h4g s ASN 172 Ca 0.25 2.14 0.02 0.00 -1.03 0.00 0.00 52.86 54.24 1h4g s ASN 172 Cb -0.08 -2.62 -0.04 0.00 -3.03 0.00 0.00 41.25 35.48 1h4g s ASN 172 CO -0.09 -0.06 0.06 -0.04 -2.03 0.00 0.00 177.10 174.94 1h4g s MET 173 N -1.20 2.87 0.00 3.55 -1.94 -1.26 -4.84 119.30 116.48 1h4g s MET 173 Ca 0.44 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.78 1h4g s MET 173 Cb -0.30 -2.73 0.00 0.00 2.01 0.00 0.00 34.83 33.81 1h4g s MET 173 CO 0.37 0.59 0.00 0.41 -0.01 0.00 0.00 175.02 176.39 1h4g n GLY 174 N 0.83 0.25 3.77 -0.03 0.00 -1.26 -4.72 105.19 104.03 1h4g n GLY 174 Ca -0.11 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 1h4g n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h4g s LYS 175 N -0.06 4.36 0.20 1.61 -0.14 0.34 -4.49 119.74 121.55 1h4g s LYS 175 Ca 0.00 1.99 -0.31 0.00 -1.36 0.00 0.00 55.97 56.30 1h4g s LYS 175 Cb 0.00 -3.00 -0.10 0.00 -1.68 0.00 0.00 37.83 33.05 1h4g s LYS 175 CO 0.00 -0.10 1.44 -1.64 -0.76 0.00 0.00 175.35 174.29 1h4g s MET 176 N -1.82 4.28 -0.10 1.68 -1.94 0.36 -0.97 119.30 120.78 1h4g s MET 176 Ca 0.50 2.24 0.05 0.00 -1.71 0.00 0.00 55.69 56.77 1h4g s MET 176 Cb -0.35 -3.15 -0.10 0.00 2.01 0.00 0.00 34.83 33.24 1h4g s MET 176 CO 0.46 -0.44 -0.03 0.98 -0.01 0.00 0.00 175.02 175.97 1h4g n TYR 177 N 3.02 0.00 -3.54 -0.03 9.36 -0.08 -2.71 117.16 123.19 1h4g n TYR 177 Ca 0.09 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.17 1h4g n TYR 177 Cb 0.40 -0.46 -0.05 0.00 -0.63 0.00 0.00 39.34 38.60 1h4g n TYR 177 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1h4g s GLU 178 N -2.23 0.87 -0.03 2.98 2.12 -1.05 -0.48 118.70 120.89 1h4g s GLU 178 Ca -0.10 0.16 -0.00 0.00 0.36 0.00 0.00 54.97 55.39 1h4g s GLU 178 Cb 0.03 0.41 0.03 0.00 0.26 0.00 0.00 34.13 34.86 1h4g s GLU 178 CO 0.33 -0.28 0.05 0.54 -0.54 0.00 0.00 175.26 175.36 1h4g s VAL 179 N -1.35 -0.05 -0.22 3.70 0.11 -0.54 -2.73 120.40 119.32 1h4g s VAL 179 Ca -0.06 0.20 -0.27 0.00 -2.93 0.00 0.00 61.98 58.92 1h4g s VAL 179 Cb -0.00 -0.10 0.07 0.00 -1.53 0.00 0.00 36.38 34.82 1h4g s VAL 179 CO 0.05 0.08 0.72 0.00 -3.33 0.00 0.00 175.10 172.63 1h4g s ALA 180 N 1.03 -1.79 0.04 1.54 0.00 0.10 -0.92 121.76 121.77 1h4g s ALA 180 Ca -0.08 1.85 -0.31 0.00 0.00 0.00 0.00 51.96 53.42 1h4g s ALA 180 Cb -0.12 -0.90 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 1h4g s ALA 180 CO -0.03 -0.34 1.47 -1.17 0.00 0.00 0.00 175.76 175.68 1h4g s LEU 181 N -0.02 4.34 0.01 0.00 1.98 -0.95 -0.89 118.68 123.15 1h4g s LEU 181 Ca -0.03 2.26 0.02 0.00 -2.89 0.00 0.00 54.13 53.49 1h4g s LEU 181 Cb -0.04 -3.57 -0.01 0.00 0.66 0.00 0.00 46.19 43.23 1h4g s LEU 181 CO 0.03 -0.75 -0.06 -0.89 -1.89 0.00 0.00 176.35 172.79 1h4g s THR 182 N 2.17 0.47 -0.15 3.68 2.01 0.52 -2.04 115.64 122.30 1h4g s THR 182 Ca 0.67 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 1h4g s THR 182 Cb -0.35 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 1h4g s THR 182 CO 0.29 -0.05 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.34 1h4g s VAL 183 N -0.55 2.86 -0.05 3.82 1.01 -0.05 -1.49 120.40 125.94 1h4g s VAL 183 Ca -0.02 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1h4g s VAL 183 Cb -0.05 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1h4g s VAL 183 CO 0.00 0.51 -0.23 -0.70 0.00 0.00 0.00 175.10 174.68 1h4g s GLU 184 N 0.71 2.31 0.08 2.72 2.12 -0.48 -0.93 118.70 125.23 1h4g s GLU 184 Ca -0.06 -0.83 0.08 0.00 0.36 0.00 0.00 54.97 54.52 1h4g s GLU 184 Cb -0.15 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 1h4g s GLU 184 CO 0.02 0.36 -0.19 0.20 -0.54 0.00 0.00 175.26 175.11 1h4g s GLY 185 N -0.16 1.61 -0.10 -1.50 0.00 0.29 -0.47 107.32 107.00 1h4g s GLY 185 Ca -0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 44.72 43.39 1h4g s GLY 185 CO 0.03 -1.21 0.08 -0.47 0.00 0.00 0.00 173.10 171.53 1h4g s TYR 186 N -1.01 0.10 -1.21 1.90 5.04 -0.82 -1.61 117.35 119.75 1h4g s TYR 186 Ca 0.16 0.02 -0.17 0.00 -2.44 0.00 0.00 57.07 54.64 1h4g s TYR 186 Cb -0.10 -0.56 -0.00 0.00 0.35 0.00 0.00 41.96 41.64 1h4g s TYR 186 CO 0.07 -0.34 0.70 1.04 -1.34 0.00 0.00 175.55 175.69 1h4g n GLN 187 N 5.29 -1.67 -3.83 4.97 6.02 0.24 -4.28 117.38 124.13 1h4g n GLN 187 Ca -0.05 0.41 -0.07 0.00 -0.01 0.00 0.00 57.00 57.29 1h4g n GLN 187 Cb 0.50 -4.09 0.02 0.00 1.02 0.00 0.00 30.24 27.69 1h4g n GLN 187 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1h4g s SER 188 N -3.69 0.01 0.18 1.08 1.04 -1.21 -4.60 113.70 106.51 1h4g s SER 188 Ca 0.36 -1.02 0.04 0.00 0.48 0.00 0.00 55.95 55.82 1h4g s SER 188 Cb -0.14 0.75 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 1h4g s SER 188 CO 0.88 -1.49 -0.07 -0.44 0.98 0.00 0.00 173.24 173.10 1h4g s SER 189 N -3.18 1.81 0.00 7.02 0.01 -1.24 -2.06 113.70 116.05 1h4g s SER 189 Ca 0.18 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1h4g s SER 189 Cb -0.04 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1h4g s SER 189 CO 0.10 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1h4g n GLY 190 N -0.27 -1.62 3.19 3.44 0.00 -0.28 -0.83 105.19 108.82 1h4g n GLY 190 Ca -0.08 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1h4g n GLY 190 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h4g s SER 191 N -2.92 0.16 -0.07 1.61 1.04 -0.77 -1.06 113.70 111.68 1h4g s SER 191 Ca 0.00 -0.66 -0.18 0.00 0.48 0.00 0.00 55.95 55.59 1h4g s SER 191 Cb 0.00 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.47 1h4g s SER 191 CO 0.00 -0.69 0.42 0.00 0.98 0.00 0.00 173.24 173.95 1h4g s ALA 192 N -3.70 -1.06 -0.27 5.32 0.00 -0.36 -0.32 121.76 121.37 1h4g s ALA 192 Ca 0.04 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1h4g s ALA 192 Cb 0.04 -0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.01 1h4g s ALA 192 CO -0.10 -0.26 -0.01 1.21 0.00 0.00 0.00 175.76 176.60 1h4g s ASN 193 N -0.74 4.10 -0.80 0.00 2.47 0.00 -0.78 114.94 119.20 1h4g s ASN 193 Ca -0.08 -1.46 -0.21 0.00 0.42 0.00 0.00 52.86 51.53 1h4g s ASN 193 Cb -0.04 -1.25 0.10 0.00 -1.45 0.00 0.00 41.25 38.62 1h4g s ASN 193 CO 0.04 -0.29 1.05 -0.69 -3.72 0.00 0.00 177.10 173.49 1h4g s VAL 194 N 1.31 4.52 -1.21 -5.21 1.01 0.47 -0.41 120.40 120.88 1h4g s VAL 194 Ca -0.00 -0.99 0.26 0.00 0.00 0.00 0.00 61.98 61.25 1h4g s VAL 194 Cb -0.19 -4.74 0.14 0.00 0.00 0.00 0.00 36.38 31.59 1h4g s VAL 194 CO -0.09 -1.49 1.57 0.00 0.00 0.00 0.00 175.10 175.09 1h4g n TYR 195 N 7.14 0.00 -3.73 5.22 0.18 -0.51 -2.09 117.16 123.37 1h4g n TYR 195 Ca 0.11 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.77 1h4g n TYR 195 Cb 0.47 -0.25 -0.12 0.00 -0.38 0.00 0.00 39.34 39.05 1h4g n TYR 195 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1h4g s SER 196 N -2.85 -0.31 -0.30 9.48 0.15 -0.89 -4.93 113.70 114.05 1h4g s SER 196 Ca 0.16 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1h4g s SER 196 Cb 0.18 0.50 0.19 0.00 -1.71 0.00 0.00 66.02 65.18 1h4g s SER 196 CO 0.62 -0.16 0.75 0.21 1.20 0.00 0.00 173.24 175.85 1h4g s ASN 197 N 1.14 -1.22 -0.15 5.45 2.47 -1.23 -1.06 114.94 120.34 1h4g s ASN 197 Ca -0.08 0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.26 1h4g s ASN 197 Cb -0.09 1.74 0.02 0.00 -1.45 0.00 0.00 41.25 41.48 1h4g s ASN 197 CO -0.08 -0.21 -0.15 -0.89 -3.72 0.00 0.00 177.10 172.05 1h4g s THR 198 N 2.76 1.62 -0.21 -5.21 2.01 0.09 -3.38 115.64 113.32 1h4g s THR 198 Ca 0.16 -0.67 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 1h4g s THR 198 Cb -0.07 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1h4g s THR 198 CO -0.23 0.47 0.41 -0.22 -0.69 0.00 0.00 174.62 174.36 1h4g s LEU 199 N 1.43 4.13 -0.12 4.42 2.96 -1.26 -1.39 118.68 128.86 1h4g s LEU 199 Ca 0.04 0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1h4g s LEU 199 Cb -0.13 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 1h4g s LEU 199 CO -0.10 -0.11 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.61 1h4g s ARG 200 N 1.49 3.28 -0.24 1.98 0.52 0.08 -1.31 118.95 124.75 1h4g s ARG 200 Ca 0.19 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1h4g s ARG 200 Cb -0.15 -2.72 0.04 0.00 0.52 0.00 0.00 34.95 32.63 1h4g s ARG 200 CO 0.08 0.37 -0.09 0.42 0.02 0.00 0.00 175.30 176.11 1h4g s ILE 201 N -0.03 2.56 -1.49 1.52 1.01 -0.29 -1.77 121.20 122.70 1h4g s ILE 201 Ca -0.01 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 59.32 1h4g s ILE 201 Cb -0.14 -2.33 0.07 0.00 0.01 0.00 0.00 42.46 40.07 1h4g s ILE 201 CO 0.03 0.17 0.97 0.59 0.00 0.00 0.00 174.94 176.70 1h4g n ASN 202 N 4.59 -4.55 0.00 3.58 3.02 0.84 -1.54 115.26 121.20 1h4g n ASN 202 Ca -0.16 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1h4g n ASN 202 Cb 0.46 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1h4g n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h4g n GLY 203 N -1.71 0.87 3.59 7.41 0.00 -1.26 -5.01 105.19 109.08 1h4g n GLY 203 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1h4g n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h4g s ASN 204 N -2.83 6.03 0.45 1.61 0.02 -0.59 -4.95 114.94 114.68 1h4g s ASN 204 Ca 0.00 -0.02 -0.24 0.00 -1.02 0.00 0.00 52.86 51.58 1h4g s ASN 204 Cb 0.00 -2.12 -0.07 0.00 0.02 0.00 0.00 41.25 39.07 1h4g s ASN 204 CO 0.00 -0.06 1.27 -2.84 0.02 0.00 0.00 177.10 175.48 1h4g s PRO 205 N 1.77 3.72 0.45 -0.60 0.02 -1.26 -1.14 135.00 137.96 1h4g s PRO 205 Ca 0.07 2.04 -0.25 0.00 0.02 0.00 0.00 61.00 62.88 1h4g s PRO 205 Cb -0.16 -2.53 -0.08 0.00 0.02 0.00 0.00 34.50 31.74 1h4g s PRO 205 CO 0.11 -0.66 1.40 -0.11 -0.33 0.00 0.00 177.00 177.41 1h4g n LEU 206 N -0.32 4.96 0.00 -5.54 7.94 -0.43 -4.93 117.00 118.68 1h4g n LEU 206 Ca 0.06 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 1h4g n LEU 206 Cb 0.45 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.82 1h4g n LEU 206 CO 0.52 -0.27 0.00 -1.54 -1.11 0.00 0.00 177.39 174.99