#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1c s LEU 2 N 0.00 3.60 -0.07 3.17 0.05 -1.26 -5.11 118.68 119.05 3h1c s LEU 2 Ca 0.00 0.08 0.04 0.00 0.05 0.00 0.00 54.13 54.31 3h1c s LEU 2 Cb 0.00 -1.85 -0.00 0.00 -2.05 0.00 0.00 46.19 42.28 3h1c s LEU 2 CO 0.00 0.29 -0.22 0.21 -0.55 0.00 0.00 176.35 176.08 3h1c s ASN 3 N -0.33 2.79 0.48 1.48 2.47 -1.26 -5.06 114.94 115.52 3h1c s ASN 3 Ca 0.07 -0.48 -0.13 0.00 0.42 0.00 0.00 52.86 52.74 3h1c s ASN 3 Cb -0.12 -1.04 -0.07 0.00 -1.45 0.00 0.00 41.25 38.57 3h1c s ASN 3 CO 0.02 0.17 0.90 -2.16 -3.72 0.00 0.00 177.10 172.31 3h1c s PRO 4 N 0.18 3.81 -0.22 0.43 0.04 -1.26 -4.91 135.00 133.06 3h1c s PRO 4 Ca -0.11 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 61.50 3h1c s PRO 4 Cb -0.15 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 3h1c s PRO 4 CO 0.06 -0.22 0.23 0.42 0.04 0.00 0.00 177.00 177.52 3h1c s ILE 5 N -2.61 5.32 0.17 0.56 -1.09 -0.76 -4.97 121.20 117.82 3h1c s ILE 5 Ca 0.55 0.33 0.06 0.00 -2.23 0.00 0.00 60.65 59.37 3h1c s ILE 5 Cb -0.10 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 3h1c s ILE 5 CO 0.35 0.33 -0.13 0.68 -1.23 0.00 0.00 174.94 174.94 3h1c s VAL 6 N 1.04 1.50 -0.11 2.92 -7.23 -1.26 -2.96 120.40 114.30 3h1c s VAL 6 Ca 0.11 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 3h1c s VAL 6 Cb -0.14 -1.89 0.05 0.00 0.56 0.00 0.00 36.38 34.97 3h1c s VAL 6 CO 0.05 -0.60 0.23 -0.60 -0.31 0.00 0.00 175.10 173.87 3h1c s ARG 7 N -3.47 0.15 -0.15 4.82 3.52 -1.13 -5.02 118.95 117.66 3h1c s ARG 7 Ca 0.18 0.61 -0.03 0.00 -0.13 0.00 0.00 55.73 56.36 3h1c s ARG 7 Cb -0.01 -0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.25 3h1c s ARG 7 CO 0.04 -0.23 -0.05 0.15 -0.81 0.00 0.00 175.30 174.40 3h1c s LYS 8 N 1.85 3.62 -0.04 5.12 1.02 -1.26 -2.61 119.74 127.44 3h1c s LYS 8 Ca -0.03 -0.53 -0.06 0.00 0.02 0.00 0.00 55.97 55.36 3h1c s LYS 8 Cb -0.11 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 3h1c s LYS 8 CO -0.08 0.26 0.14 -0.59 -0.92 0.00 0.00 175.35 174.16 3h1c s PHE 9 N 0.32 -0.09 0.15 3.18 -0.71 -1.04 -5.04 117.98 114.74 3h1c s PHE 9 Ca -0.04 0.21 -0.30 0.00 -1.04 0.00 0.00 56.93 55.76 3h1c s PHE 9 Cb -0.14 0.02 -0.07 0.00 -1.21 0.00 0.00 43.02 41.62 3h1c s PHE 9 CO 0.03 -0.15 1.04 -0.65 -1.34 0.00 0.00 175.22 174.16 3h1c s GLN 10 N -0.43 4.64 -0.31 1.99 -1.52 -1.26 -2.09 119.66 120.67 3h1c s GLN 10 Ca -0.05 1.61 -0.02 0.00 -1.95 0.00 0.00 55.36 54.94 3h1c s GLN 10 Cb -0.03 -3.32 0.11 0.00 -0.22 0.00 0.00 33.01 29.55 3h1c s GLN 10 CO 0.01 0.13 0.15 -0.47 -0.25 0.00 0.00 175.29 174.85 3h1c s TYR 11 N -0.12 0.73 0.00 0.91 5.04 -0.49 -4.96 117.35 118.46 3h1c s TYR 11 Ca 0.49 -1.27 0.00 0.00 -2.44 0.00 0.00 57.07 53.85 3h1c s TYR 11 Cb -0.27 -1.09 0.00 0.00 0.35 0.00 0.00 41.96 40.95 3h1c s TYR 11 CO 0.33 -0.84 0.00 0.41 -1.34 0.00 0.00 175.55 174.11 3h1c n GLY 12 N 4.82 1.73 0.00 8.97 0.00 -1.26 -2.65 105.19 116.80 3h1c n GLY 12 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.00 3h1c n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1c n GLN 13 N 0.00 3.70 -3.88 1.61 1.13 -1.26 -5.06 117.38 113.62 3h1c n GLN 13 Ca 0.00 -0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.83 3h1c n GLN 13 Cb 0.00 -0.84 -0.04 0.00 0.11 0.00 0.00 30.24 29.47 3h1c n GLN 13 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3h1c s HIS 14 N -1.71 2.84 -0.15 1.08 3.76 -1.09 -5.13 115.29 114.90 3h1c s HIS 14 Ca 0.00 -0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 54.55 3h1c s HIS 14 Cb 0.03 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.92 3h1c s HIS 14 CO 0.17 0.21 -0.04 0.99 -0.85 0.00 0.00 174.74 175.22 3h1c s THR 15 N -2.35 3.84 -0.17 1.30 2.01 -1.26 -1.40 115.64 117.62 3h1c s THR 15 Ca 0.40 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 3h1c s THR 15 Cb -0.05 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 3h1c s THR 15 CO 0.26 0.50 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.98 3h1c s VAL 16 N 0.25 3.90 -0.11 3.82 1.01 -0.89 -2.64 120.40 125.75 3h1c s VAL 16 Ca -0.03 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3h1c s VAL 16 Cb -0.14 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3h1c s VAL 16 CO 0.03 0.47 -0.18 -0.89 0.00 0.00 0.00 175.10 174.53 3h1c s THR 17 N 0.59 2.61 -0.20 3.92 2.01 0.20 -2.50 115.64 122.27 3h1c s THR 17 Ca -0.02 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 3h1c s THR 17 Cb -0.14 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.31 3h1c s THR 17 CO 0.02 0.54 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.63 3h1c s LEU 18 N 0.30 2.63 -0.07 4.42 1.43 -1.07 -1.01 118.68 125.31 3h1c s LEU 18 Ca -0.14 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3h1c s LEU 18 Cb -0.17 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 3h1c s LEU 18 CO 0.07 0.01 -0.24 -0.70 0.23 0.00 0.00 176.35 175.72 3h1c s GLU 19 N 1.29 2.65 0.06 1.70 2.12 0.21 -2.86 118.70 123.87 3h1c s GLU 19 Ca 0.03 -0.89 -0.16 0.00 0.36 0.00 0.00 54.97 54.32 3h1c s GLU 19 Cb -0.14 -2.20 0.03 0.00 0.26 0.00 0.00 34.13 32.07 3h1c s GLU 19 CO -0.05 0.36 0.37 -0.08 -0.54 0.00 0.00 175.26 175.31 3h1c s THR 20 N -0.09 0.07 0.00 -1.70 -1.32 -1.16 -0.39 115.64 111.06 3h1c s THR 20 Ca -0.06 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 3h1c s THR 20 Cb -0.14 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 3h1c s THR 20 CO 0.04 -0.32 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 3h1c n GLY 21 N 0.33 0.93 1.68 6.08 0.00 -1.26 -1.83 105.19 111.12 3h1c n GLY 21 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3h1c n GLY 21 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3h1c n MET 22 N -2.01 0.00 -3.02 1.61 0.00 -1.26 -4.54 117.12 107.90 3h1c n MET 22 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.32 3h1c n MET 22 Cb 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 33.22 33.07 3h1c n MET 22 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 3h1c s MET 23 N -1.88 4.43 -1.10 2.12 -1.94 -1.26 -4.31 119.30 115.37 3h1c s MET 23 Ca 0.00 1.04 -0.18 0.00 -1.71 0.00 0.00 55.69 54.84 3h1c s MET 23 Cb 0.00 -3.08 -0.01 0.00 2.01 0.00 0.00 34.83 33.75 3h1c s MET 23 CO 0.00 0.49 0.79 0.00 -0.01 0.00 0.00 175.02 176.28 3h1c n ALA 24 N 1.19 -2.56 0.24 3.03 0.00 -1.26 -4.68 120.51 116.47 3h1c n ALA 24 Ca -0.04 -0.21 0.14 0.00 0.00 0.00 0.00 53.44 53.33 3h1c n ALA 24 Cb 0.50 -3.91 0.38 0.00 0.00 0.00 0.00 19.45 16.42 3h1c n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1c h ARG 25 N -1.66 0.00 0.00 0.00 3.08 -1.97 -3.08 114.38 110.75 3h1c h ARG 25 Ca -0.63 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.37 3h1c h ARG 25 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 3h1c h ARG 25 CO 0.46 0.00 -0.25 0.37 -1.07 0.00 0.00 179.97 179.48 3h1c h GLN 26 N 0.00 0.00 -7.49 0.04 4.15 -1.95 -3.45 115.11 106.40 3h1c h GLN 26 Ca -0.00 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.94 3h1c h GLN 26 Cb 0.80 0.00 0.10 0.00 0.21 0.00 0.00 27.48 28.60 3h1c h GLN 26 CO 0.00 0.25 0.37 0.00 -1.93 0.00 0.00 178.83 177.53 3h1c s ALA 27 N -3.21 2.48 0.12 3.38 0.00 -1.17 -5.00 121.76 118.36 3h1c s ALA 27 Ca 0.04 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 3h1c s ALA 27 Cb 0.07 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 3h1c s ALA 27 CO 0.69 -1.60 1.64 1.15 0.00 0.00 0.00 175.76 177.63 3h1c h THR 28 N -1.00 1.21 -2.50 0.00 2.02 -1.85 -3.46 112.91 107.34 3h1c h THR 28 Ca -0.47 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 65.94 3h1c h THR 28 Cb 1.29 0.99 -0.21 0.00 -1.74 0.00 0.00 68.15 68.48 3h1c h THR 28 CO 0.63 0.24 -0.07 0.00 0.37 0.00 0.00 175.52 176.68 3h1c s ALA 29 N -5.40 -1.28 -0.12 6.16 0.00 -0.93 -4.68 121.76 115.51 3h1c s ALA 29 Ca -0.13 1.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.89 3h1c s ALA 29 Cb 0.09 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.90 3h1c s ALA 29 CO 0.75 -0.29 0.26 0.00 0.00 0.00 0.00 175.76 176.49 3h1c s ALA 30 N -0.57 -0.59 -0.07 0.00 0.00 -1.26 -1.44 121.76 117.83 3h1c s ALA 30 Ca -0.07 1.00 0.02 0.00 0.00 0.00 0.00 51.96 52.91 3h1c s ALA 30 Cb -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.25 3h1c s ALA 30 CO 0.04 -0.44 -0.11 0.08 0.00 0.00 0.00 175.76 175.34 3h1c s VAL 31 N 1.89 1.06 -0.36 0.00 1.01 -0.29 -4.33 120.40 119.37 3h1c s VAL 31 Ca -0.04 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 3h1c s VAL 31 Cb -0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 3h1c s VAL 31 CO -0.09 0.34 0.28 -0.32 0.00 0.00 0.00 175.10 175.32 3h1c s MET 32 N 0.79 3.37 -0.18 2.72 0.00 0.48 -1.68 119.30 124.81 3h1c s MET 32 Ca -0.12 -0.70 -0.05 0.00 0.00 0.00 0.00 55.69 54.82 3h1c s MET 32 Cb -0.15 -3.85 -0.03 0.00 0.00 0.00 0.00 34.83 30.80 3h1c s MET 32 CO 0.02 -0.54 -0.00 0.08 0.00 0.00 0.00 175.02 174.58 3h1c s VAL 33 N 1.78 4.10 -0.17 10.11 1.01 -1.07 -0.62 120.40 135.55 3h1c s VAL 33 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3h1c s VAL 33 Cb -0.18 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.41 3h1c s VAL 33 CO 0.11 0.46 -0.05 -0.44 0.00 0.00 0.00 175.10 175.18 3h1c s SER 34 N 0.62 2.84 -0.48 3.32 0.01 -0.18 -1.43 113.70 118.40 3h1c s SER 34 Ca -0.01 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.58 3h1c s SER 34 Cb -0.14 -0.90 0.13 0.00 0.21 0.00 0.00 66.02 65.32 3h1c s SER 34 CO 0.02 -0.19 0.25 -0.32 0.41 0.00 0.00 173.24 173.41 3h1c s MET 35 N 1.64 2.05 -0.51 12.44 1.75 0.15 -0.63 119.30 136.19 3h1c s MET 35 Ca 0.01 -2.21 -0.22 0.00 -1.25 0.00 0.00 55.69 52.02 3h1c s MET 35 Cb -0.15 -3.49 0.03 0.00 2.84 0.00 0.00 34.83 34.06 3h1c s MET 35 CO -0.08 -1.08 0.64 -0.25 -0.65 0.00 0.00 175.02 173.60 3h1c n ASP 36 N 3.88 -6.73 0.00 1.11 8.00 -1.08 -2.91 116.55 118.82 3h1c n ASP 36 Ca 0.03 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3h1c n ASP 36 Cb 0.38 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.85 3h1c n ASP 36 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h1c n ASP 37 N -0.63 0.00 -4.40 -2.24 8.00 -1.26 -4.65 116.55 111.37 3h1c n ASP 37 Ca -0.01 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.06 3h1c n ASP 37 Cb 0.57 -1.90 -0.09 0.00 -0.02 0.00 0.00 41.12 39.68 3h1c n ASP 37 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h1c s THR 38 N -1.30 5.06 -0.11 -3.53 2.01 -1.15 -3.61 115.64 113.02 3h1c s THR 38 Ca 0.00 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.09 3h1c s THR 38 Cb 0.00 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.57 3h1c s THR 38 CO 0.00 -0.44 -0.21 0.00 -0.69 0.00 0.00 174.62 173.29 3h1c s ALA 39 N 1.62 2.30 -0.12 7.40 0.00 0.61 -0.67 121.76 132.90 3h1c s ALA 39 Ca 0.04 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3h1c s ALA 39 Cb -0.22 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.00 3h1c s ALA 39 CO 0.07 0.29 -0.15 0.08 0.00 0.00 0.00 175.76 176.05 3h1c s VAL 40 N 0.31 1.53 -0.27 0.00 1.01 -0.51 -1.56 120.40 120.91 3h1c s VAL 40 Ca -0.16 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 3h1c s VAL 40 Cb -0.17 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3h1c s VAL 40 CO 0.08 0.45 0.55 0.12 0.00 0.00 0.00 175.10 176.30 3h1c s PHE 41 N 1.11 3.25 -0.10 5.22 5.36 0.13 -2.60 117.98 130.35 3h1c s PHE 41 Ca -0.04 0.62 0.04 0.00 -0.96 0.00 0.00 56.93 56.59 3h1c s PHE 41 Cb -0.14 -2.80 -0.00 0.00 -0.34 0.00 0.00 43.02 39.74 3h1c s PHE 41 CO -0.04 -0.34 -0.23 0.08 -1.46 0.00 0.00 175.22 173.24 3h1c s VAL 42 N 2.39 2.19 0.02 3.12 1.01 -0.68 -1.36 120.40 127.10 3h1c s VAL 42 Ca 0.22 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.30 3h1c s VAL 42 Cb -0.15 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 3h1c s VAL 42 CO 0.10 0.56 -0.21 0.42 0.00 0.00 0.00 175.10 175.96 3h1c s THR 43 N 0.30 1.70 -0.12 3.92 -4.23 -0.39 -1.14 115.64 115.69 3h1c s THR 43 Ca -0.17 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 3h1c s THR 43 Cb -0.17 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.23 3h1c s THR 43 CO 0.08 0.31 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.65 3h1c s VAL 44 N -0.70 1.38 -0.16 2.29 1.01 -0.52 -1.07 120.40 122.63 3h1c s VAL 44 Ca 0.08 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3h1c s VAL 44 Cb -0.09 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.01 3h1c s VAL 44 CO 0.01 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 174.66 3h1c s VAL 45 N 1.23 2.30 -0.06 2.92 1.01 -1.15 -2.18 120.40 124.48 3h1c s VAL 45 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3h1c s VAL 45 Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3h1c s VAL 45 CO -0.05 0.53 -0.04 -0.83 0.00 0.00 0.00 175.10 174.71 3h1c s GLY 46 N 1.03 1.76 0.11 4.51 0.00 -1.26 -3.03 107.32 110.45 3h1c s GLY 46 Ca -0.01 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 43.52 3h1c s GLY 46 CO -0.05 -0.68 1.22 1.62 0.00 0.00 0.00 173.10 175.20 3h1c s GLN 47 N -0.97 4.44 0.24 2.90 2.00 -0.88 -4.95 119.66 122.43 3h1c s GLN 47 Ca 0.14 1.83 -0.06 0.00 -2.00 0.00 0.00 55.36 55.27 3h1c s GLN 47 Cb -0.11 -3.30 0.23 0.00 0.80 0.00 0.00 33.01 30.62 3h1c s GLN 47 CO 0.03 -0.21 1.82 0.87 -0.50 0.00 0.00 175.29 177.30 3h1c h LYS 48 N 6.29 1.17 -5.34 1.67 1.79 -1.99 -3.44 116.57 116.72 3h1c h LYS 48 Ca -0.43 -0.18 -0.40 0.00 -2.18 0.00 0.00 60.65 57.47 3h1c h LYS 48 Cb 1.21 -0.21 -0.17 0.00 -1.58 0.00 0.00 32.23 31.49 3h1c h LYS 48 CO 0.79 0.91 -0.74 -1.59 -1.08 0.00 0.00 179.45 177.74 3h1c s LYS 49 N -5.63 1.06 0.32 3.15 -2.85 -1.26 -5.14 119.74 109.40 3h1c s LYS 49 Ca -0.12 -1.33 -0.28 0.00 -1.00 0.00 0.00 55.97 53.24 3h1c s LYS 49 Cb 0.16 -0.85 -0.09 0.00 -2.06 0.00 0.00 37.83 34.99 3h1c s LYS 49 CO 0.83 0.15 1.14 0.00 0.10 0.00 0.00 175.35 177.57 3h1c s ALA 50 N -2.52 3.35 0.01 0.59 0.00 -1.26 -4.79 121.76 117.14 3h1c s ALA 50 Ca 0.12 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 3h1c s ALA 50 Cb -0.03 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 3h1c s ALA 50 CO 0.03 -0.31 1.34 0.21 0.00 0.00 0.00 175.76 177.02 3h1c s LYS 51 N -1.75 4.32 0.10 0.00 2.47 -1.26 -4.93 119.74 118.68 3h1c s LYS 51 Ca 0.49 1.90 -0.10 0.00 -1.56 0.00 0.00 55.97 56.70 3h1c s LYS 51 Cb -0.32 -3.50 0.08 0.00 -1.46 0.00 0.00 37.83 32.63 3h1c s LYS 51 CO 0.42 -0.49 0.72 -2.30 0.16 0.00 0.00 175.35 173.85 3h1c n PRO 52 N 4.96 -0.13 -2.95 4.03 -0.02 -1.26 -2.50 135.00 137.13 3h1c n PRO 52 Ca 0.12 0.71 -0.25 0.00 -2.02 0.00 0.00 63.50 62.06 3h1c n PRO 52 Cb 0.44 -1.05 -0.04 0.00 -0.02 0.00 0.00 33.50 32.84 3h1c n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1c n GLY 53 N -1.19 5.26 3.36 -1.23 0.00 -1.26 -5.05 105.19 105.09 3h1c n GLY 53 Ca 0.04 -2.59 -0.32 0.00 0.00 0.00 0.00 46.02 43.15 3h1c n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h1c s GLN 54 N -3.31 2.56 -0.07 1.61 -1.52 -1.04 -5.02 119.66 112.87 3h1c s GLN 54 Ca 0.47 -0.81 0.01 0.00 -1.95 0.00 0.00 55.36 53.08 3h1c s GLN 54 Cb 0.30 -2.27 -0.05 0.00 -0.22 0.00 0.00 33.01 30.77 3h1c s GLN 54 CO -0.13 0.48 -0.05 -0.40 -0.25 0.00 0.00 175.29 174.94 3h1c n ASP 55 N 2.71 3.47 -4.86 5.90 5.68 -1.26 -4.99 116.55 123.20 3h1c n ASP 55 Ca -0.17 -0.03 -0.35 0.00 -0.50 0.00 0.00 54.79 53.74 3h1c n ASP 55 Cb 0.52 0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.47 3h1c n ASP 55 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3h1c s PHE 56 N -2.14 3.59 -0.30 2.11 -0.12 -1.26 -4.95 117.98 114.90 3h1c s PHE 56 Ca -0.08 0.90 -0.29 0.00 -0.05 0.00 0.00 56.93 57.40 3h1c s PHE 56 Cb 0.02 -2.24 0.00 0.00 -0.63 0.00 0.00 43.02 40.17 3h1c s PHE 56 CO 0.18 0.48 1.30 0.12 -0.05 0.00 0.00 175.22 177.25 3h1c s PHE 57 N -1.43 2.69 -0.70 3.49 5.36 -1.26 -4.91 117.98 121.21 3h1c s PHE 57 Ca 0.35 0.87 -0.21 0.00 -0.96 0.00 0.00 56.93 56.98 3h1c s PHE 57 Cb -0.14 -3.91 0.09 0.00 -0.34 0.00 0.00 43.02 38.72 3h1c s PHE 57 CO 0.19 -1.71 0.94 -1.25 -1.46 0.00 0.00 175.22 171.93 3h1c s PRO 58 N 4.16 3.20 -0.18 10.12 0.04 -1.26 -5.01 135.00 146.08 3h1c s PRO 58 Ca 0.56 -1.14 -0.02 0.00 0.04 0.00 0.00 61.00 60.45 3h1c s PRO 58 Cb -0.17 -4.38 -0.01 0.00 0.04 0.00 0.00 34.50 29.99 3h1c s PRO 58 CO 0.23 -1.75 -0.09 -1.17 0.04 0.00 0.00 177.00 174.26 3h1c s LEU 59 N 3.47 2.78 -0.14 -3.56 2.96 -1.26 -3.10 118.68 119.82 3h1c s LEU 59 Ca 0.22 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3h1c s LEU 59 Cb -0.16 -1.67 0.04 0.00 0.50 0.00 0.00 46.19 44.90 3h1c s LEU 59 CO 0.05 0.07 -0.02 0.28 -1.32 0.00 0.00 176.35 175.41 3h1c s THR 60 N 0.94 0.78 -0.26 3.68 -1.32 -1.21 -5.06 115.64 113.20 3h1c s THR 60 Ca -0.02 -0.38 -0.08 0.00 -1.21 0.00 0.00 61.69 60.00 3h1c s THR 60 Cb -0.15 -1.01 -0.03 0.00 -1.51 0.00 0.00 72.50 69.80 3h1c s THR 60 CO -0.00 0.12 0.11 -0.69 -2.21 0.00 0.00 174.62 171.94 3h1c s VAL 61 N 1.78 4.63 -0.40 5.08 1.01 -1.26 -2.18 120.40 129.05 3h1c s VAL 61 Ca 0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 3h1c s VAL 61 Cb -0.15 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.13 3h1c s VAL 61 CO -0.07 0.31 0.22 0.20 0.00 0.00 0.00 175.10 175.76 3h1c s ASN 62 N 1.66 5.52 -0.24 3.32 0.01 -0.58 -4.89 114.94 119.73 3h1c s ASN 62 Ca 0.07 -1.50 -0.09 0.00 -0.71 0.00 0.00 52.86 50.63 3h1c s ASN 62 Cb -0.15 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 3h1c s ASN 62 CO 0.06 -0.49 0.12 -0.47 -1.51 0.00 0.00 177.10 174.81 3h1c s TYR 63 N 1.38 3.20 -0.03 2.20 5.04 -1.26 -0.84 117.35 127.05 3h1c s TYR 63 Ca 0.03 -0.03 0.02 0.00 -2.44 0.00 0.00 57.07 54.64 3h1c s TYR 63 Cb -0.22 -2.26 0.01 0.00 0.35 0.00 0.00 41.96 39.84 3h1c s TYR 63 CO 0.01 -0.12 -0.07 -0.65 -1.34 0.00 0.00 175.55 173.39 3h1c s GLN 64 N 1.31 0.86 -0.40 4.97 -0.21 -0.53 -4.77 119.66 120.88 3h1c s GLN 64 Ca 0.06 -0.22 -0.13 0.00 0.02 0.00 0.00 55.36 55.09 3h1c s GLN 64 Cb -0.15 -0.82 0.03 0.00 1.00 0.00 0.00 33.01 33.08 3h1c s GLN 64 CO 0.05 0.04 0.26 -1.21 -2.12 0.00 0.00 175.29 172.32 3h1c s GLU 65 N 0.41 2.88 0.19 2.91 2.02 -1.26 -1.73 118.70 124.11 3h1c s GLU 65 Ca -0.06 -1.10 -0.30 0.00 0.02 0.00 0.00 54.97 53.53 3h1c s GLU 65 Cb -0.10 -3.87 -0.08 0.00 0.10 0.00 0.00 34.13 30.18 3h1c s GLU 65 CO 0.00 -0.76 1.10 1.03 0.02 0.00 0.00 175.26 176.66 3h1c s ARG 66 N 1.60 4.60 0.49 1.61 1.81 -1.18 -4.95 118.95 122.93 3h1c s ARG 66 Ca 0.03 1.73 0.28 0.00 -1.72 0.00 0.00 55.73 56.05 3h1c s ARG 66 Cb -0.20 -3.27 1.20 0.00 -0.45 0.00 0.00 34.95 32.23 3h1c s ARG 66 CO 0.08 0.08 1.94 1.79 -0.68 0.00 0.00 175.30 178.51 3h1c h THR 67 N 3.65 0.40 0.00 0.02 1.35 -1.88 -2.76 112.91 113.70 3h1c h THR 67 Ca -0.45 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3h1c h THR 67 Cb 1.21 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3h1c h THR 67 CO 0.72 0.14 0.00 0.00 -0.25 0.00 0.00 175.52 176.13 3h1c n TYR 68 N -3.36 0.00 0.06 4.73 4.11 -1.26 -2.92 117.16 118.53 3h1c n TYR 68 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.89 3h1c n TYR 68 Cb 0.35 -0.17 0.27 0.00 -0.00 0.00 0.00 39.34 39.79 3h1c n TYR 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3h1c h ALA 69 N 3.37 1.25 0.00 -3.48 0.00 -1.62 -2.90 119.26 115.88 3h1c h ALA 69 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3h1c h ALA 69 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h1c h ALA 69 CO 0.00 0.49 -1.44 0.00 0.00 0.00 0.00 179.25 178.30 3h1c n ALA 70 N -2.48 3.48 -1.01 0.00 0.00 -1.22 -1.90 120.51 117.38 3h1c n ALA 70 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3h1c n ALA 70 Cb 0.36 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3h1c n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1c n GLY 71 N 1.35 0.52 2.95 0.00 0.00 -1.09 -5.05 105.19 103.86 3h1c n GLY 71 Ca -0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 3h1c n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1c s ARG 72 N -1.70 0.10 -0.08 1.61 0.52 -1.15 -5.03 118.95 113.21 3h1c s ARG 72 Ca 0.00 0.06 -0.27 0.00 -0.52 0.00 0.00 55.73 54.99 3h1c s ARG 72 Cb 0.00 0.04 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 3h1c s ARG 72 CO 0.00 -0.01 0.88 0.42 0.02 0.00 0.00 175.30 176.61 3h1c s ILE 73 N -0.05 4.90 0.49 1.52 1.01 -1.26 -4.04 121.20 123.77 3h1c s ILE 73 Ca -0.01 1.80 -0.23 0.00 0.00 0.00 0.00 60.65 62.21 3h1c s ILE 73 Cb -0.01 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 3h1c s ILE 73 CO 0.00 0.12 1.22 -0.81 0.00 0.00 0.00 174.94 175.47 3h1c n PRO 74 N 4.41 1.64 -1.01 2.79 -0.04 -1.26 -4.91 135.00 136.62 3h1c n PRO 74 Ca 0.04 0.59 -0.22 0.00 -0.04 0.00 0.00 63.50 63.88 3h1c n PRO 74 Cb 0.50 -2.38 0.07 0.00 -0.04 0.00 0.00 33.50 31.65 3h1c n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h1c n GLY 75 N 0.91 4.52 3.95 0.55 0.00 -1.26 -4.70 105.19 109.15 3h1c n GLY 75 Ca 0.09 -1.36 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 3h1c n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h1c s SER 76 N -0.58 5.73 0.26 1.61 1.04 -1.26 -5.02 113.70 115.49 3h1c s SER 76 Ca 0.43 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.55 3h1c s SER 76 Cb 0.34 -1.11 0.33 0.00 0.10 0.00 0.00 66.02 65.68 3h1c s SER 76 CO 0.01 -0.43 1.69 0.15 0.98 0.00 0.00 173.24 175.64 3h1c h PHE 77 N 0.99 0.65 -0.00 5.02 3.57 -1.94 -2.62 116.94 122.60 3h1c h PHE 77 Ca -0.45 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 60.91 3h1c h PHE 77 Cb 1.26 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3h1c h PHE 77 CO 0.46 0.77 -0.32 1.19 -2.23 0.00 0.00 178.31 178.18 3h1c n PHE 78 N -4.11 0.00 -3.71 0.41 3.01 -1.26 -4.96 117.46 106.83 3h1c n PHE 78 Ca -0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 3h1c n PHE 78 Cb 0.42 -0.33 0.05 0.00 -0.01 0.00 0.00 39.48 39.61 3h1c n PHE 78 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3h1c n ARG 79 N -1.47 -5.94 -3.75 -1.08 5.12 -0.99 -5.00 116.66 103.56 3h1c n ARG 79 Ca 0.06 0.68 -0.13 0.00 -1.93 0.00 0.00 57.85 56.54 3h1c n ARG 79 Cb 0.34 -5.51 -0.08 0.00 -1.16 0.00 0.00 32.46 26.04 3h1c n ARG 79 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3h1c s ARG 80 N -6.16 0.73 -0.30 5.56 3.52 -1.26 -4.79 118.95 116.24 3h1c s ARG 80 Ca 0.33 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.35 3h1c s ARG 80 Cb -0.16 0.32 -0.01 0.00 -1.56 0.00 0.00 34.95 33.55 3h1c s ARG 80 CO 0.79 -0.21 1.46 -1.21 -0.81 0.00 0.00 175.30 175.32 3h1c s GLU 81 N -1.75 3.76 0.00 5.12 8.01 -1.26 -4.90 118.70 127.68 3h1c s GLU 81 Ca -0.11 1.31 0.00 0.00 0.01 0.00 0.00 54.97 56.19 3h1c s GLU 81 Cb -0.04 -3.98 0.00 0.00 -4.31 0.00 0.00 34.13 25.80 3h1c s GLU 81 CO 0.02 -1.33 0.00 0.41 0.01 0.00 0.00 175.26 174.37 3h1c n GLY 82 N 4.68 0.48 3.77 -1.39 0.00 -1.26 -5.06 105.19 106.41 3h1c n GLY 82 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3h1c n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h1c s ARG 83 N 2.78 4.36 0.33 1.61 3.03 -1.26 -5.00 118.95 124.80 3h1c s ARG 83 Ca 0.00 1.80 -0.29 0.00 2.03 0.00 0.00 55.73 59.27 3h1c s ARG 83 Cb 0.00 -2.91 -0.11 0.00 -1.03 0.00 0.00 34.95 30.90 3h1c s ARG 83 CO 0.00 -0.04 1.49 -2.14 -1.13 0.00 0.00 175.30 173.48 3h1c s PRO 84 N -1.91 4.17 1.08 3.89 0.02 -1.26 -5.02 135.00 135.97 3h1c s PRO 84 Ca 0.51 2.49 -0.18 0.00 0.02 0.00 0.00 61.00 63.84 3h1c s PRO 84 Cb -0.30 -3.02 0.25 0.00 0.02 0.00 0.00 34.50 31.45 3h1c s PRO 84 CO 0.39 -0.50 1.26 -1.54 -0.33 0.00 0.00 177.00 176.28 3h1c s SER 85 N 0.07 2.08 0.30 2.53 1.04 -1.26 -4.84 113.70 113.62 3h1c s SER 85 Ca 0.56 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.32 3h1c s SER 85 Cb -0.45 -0.38 0.48 0.00 0.10 0.00 0.00 66.02 65.77 3h1c s SER 85 CO 0.55 -3.38 1.88 -0.08 0.98 0.00 0.00 173.24 173.18 3h1c h GLU 86 N -2.08 0.80 -0.05 4.02 4.81 -2.01 -2.71 114.58 117.37 3h1c h GLU 86 Ca -0.44 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 58.62 3h1c h GLU 86 Cb 1.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3h1c h GLU 86 CO 0.33 0.68 -0.13 0.78 -0.73 0.00 0.00 179.01 179.93 3h1c h GLY 87 N 0.93 0.20 1.38 1.92 0.00 -2.00 -3.23 103.07 102.27 3h1c h GLY 87 Ca 0.18 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.34 3h1c h GLY 87 CO -0.01 0.22 0.25 0.83 0.00 0.00 0.00 176.54 177.83 3h1c h GLU 88 N -0.35 0.15 -0.02 4.80 5.08 -1.89 -0.83 114.58 121.52 3h1c h GLU 88 Ca -0.00 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 3h1c h GLU 88 Cb 0.74 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3h1c h GLU 88 CO 0.03 0.10 -0.73 1.15 -1.00 0.00 0.00 179.01 178.56 3h1c h THR 89 N 0.15 1.46 -0.22 1.13 2.02 -1.57 -3.07 112.91 112.82 3h1c h THR 89 Ca 0.16 -2.34 -0.13 0.00 0.77 0.00 0.00 66.41 64.87 3h1c h THR 89 Cb 0.45 2.26 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3h1c h THR 89 CO -0.02 0.68 -0.38 -0.07 0.37 0.00 0.00 175.52 176.10 3h1c h LEU 90 N 0.09 0.72 -0.97 2.58 3.38 -1.17 -1.78 115.31 118.15 3h1c h LEU 90 Ca -0.02 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.34 3h1c h LEU 90 Cb 1.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3h1c h LEU 90 CO 0.11 1.11 -0.07 0.40 0.09 0.00 0.00 178.44 180.08 3h1c h ILE 91 N 0.35 1.24 -0.65 1.22 5.03 -1.59 0.19 117.51 123.30 3h1c h ILE 91 Ca 0.02 -1.03 -0.01 0.00 -0.12 0.00 0.00 64.86 63.71 3h1c h ILE 91 Cb 0.97 1.01 -0.03 0.00 -3.03 0.00 0.00 36.82 35.74 3h1c h ILE 91 CO 0.09 0.35 0.36 0.00 -0.68 0.00 0.00 178.15 178.27 3h1c h ALA 92 N 1.31 1.42 -0.04 1.87 0.00 -1.45 -0.14 119.26 122.22 3h1c h ALA 92 Ca 0.12 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3h1c h ALA 92 Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3h1c h ALA 92 CO 0.03 0.48 -0.68 0.00 0.00 0.00 0.00 179.25 179.08 3h1c h ARG 93 N 0.90 0.19 0.00 0.00 2.47 -0.64 -1.92 114.38 115.38 3h1c h ARG 93 Ca 0.23 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 3h1c h ARG 93 Cb 0.01 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 3h1c h ARG 93 CO -0.04 0.80 -0.14 -0.07 0.56 0.00 0.00 179.97 181.08 3h1c h LEU 94 N 0.13 0.00 0.12 3.04 3.38 0.18 -2.68 115.31 119.48 3h1c h LEU 94 Ca -0.02 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.59 3h1c h LEU 94 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3h1c h LEU 94 CO 0.10 0.14 -2.00 -0.38 0.09 0.00 0.00 178.44 176.38 3h1c n ILE 95 N -3.27 1.77 0.01 1.22 5.41 -0.14 -4.45 119.36 119.90 3h1c n ILE 95 Ca 0.00 -0.65 -0.08 0.00 1.00 0.00 0.00 62.75 63.03 3h1c n ILE 95 Cb 0.39 -1.73 0.09 0.00 -0.71 0.00 0.00 39.64 37.68 3h1c n ILE 95 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 3h1c h ASP 96 N 0.06 0.58 -0.26 4.38 3.58 -1.36 -3.32 116.42 120.07 3h1c h ASP 96 Ca -0.43 -0.28 -0.07 0.00 0.42 0.00 0.00 57.03 56.67 3h1c h ASP 96 Cb 2.02 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.90 3h1c h ASP 96 CO 0.08 0.97 -0.11 -0.09 -2.88 0.00 0.00 179.24 177.21 3h1c h ARG 97 N 0.42 0.54 0.00 0.28 2.43 -1.69 -2.73 114.38 113.63 3h1c h ARG 97 Ca 0.02 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 3h1c h ARG 97 Cb 1.00 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3h1c h ARG 97 CO 0.09 0.78 -0.22 -1.00 -1.51 0.00 0.00 179.97 178.11 3h1c h PRO 98 N 0.27 0.00 0.00 0.20 0.13 -1.79 -3.33 132.00 127.49 3h1c h PRO 98 Ca 0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.13 3h1c h PRO 98 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 3h1c h PRO 98 CO 0.03 0.22 -0.92 -0.84 -0.23 0.00 0.00 178.00 176.27 3h1c h ILE 99 N 0.00 0.25 -0.32 -3.56 3.07 -1.65 -3.39 117.51 111.91 3h1c h ILE 99 Ca -0.00 -1.44 -0.04 0.00 1.55 0.00 0.00 64.86 64.93 3h1c h ILE 99 Cb 1.03 1.84 -0.01 0.00 -0.27 0.00 0.00 36.82 39.41 3h1c h ILE 99 CO 0.03 0.14 0.04 -0.09 -1.05 0.00 0.00 178.15 177.22 3h1c h ARG 100 N 0.00 0.54 0.00 0.16 2.43 -1.59 -3.17 114.38 112.76 3h1c h ARG 100 Ca -0.05 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 3h1c h ARG 100 Cb 1.22 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3h1c h ARG 100 CO 0.02 0.64 -0.04 -1.35 -1.51 0.00 0.00 179.97 177.73 3h1c h PRO 101 N 0.36 0.00 0.00 0.20 0.11 -1.77 -3.02 132.00 127.88 3h1c h PRO 101 Ca 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3h1c h PRO 101 Cb 0.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 3h1c h PRO 101 CO 0.01 0.04 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.64 3h1c h LEU 102 N 0.00 0.00 -9.50 2.35 3.38 -1.77 -3.43 115.31 106.34 3h1c h LEU 102 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3h1c h LEU 102 Cb 0.47 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.24 3h1c h LEU 102 CO 0.01 0.14 0.78 -0.36 0.09 0.00 0.00 178.44 179.10 3h1c s PHE 103 N -3.53 3.06 0.64 1.13 0.40 -1.14 -3.21 117.98 115.33 3h1c s PHE 103 Ca 0.02 0.84 -0.18 0.00 -0.60 0.00 0.00 56.93 57.02 3h1c s PHE 103 Cb 0.09 -3.71 -0.01 0.00 0.51 0.00 0.00 43.02 39.89 3h1c s PHE 103 CO 0.62 -2.59 1.25 -1.25 0.70 0.00 0.00 175.22 173.95 3h1c s PRO 104 N 1.59 2.62 -0.20 0.24 0.04 -1.26 -4.92 135.00 133.10 3h1c s PRO 104 Ca 0.66 1.92 -0.29 0.00 0.04 0.00 0.00 61.00 63.32 3h1c s PRO 104 Cb -0.36 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 3h1c s PRO 104 CO 0.29 -1.50 1.53 -2.00 0.04 0.00 0.00 177.00 175.36 3h1c s GLU 105 N -3.47 3.93 0.00 4.56 2.12 -1.26 -2.49 118.70 122.08 3h1c s GLU 105 Ca 0.79 1.68 0.00 0.00 0.36 0.00 0.00 54.97 57.80 3h1c s GLU 105 Cb -0.33 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.09 3h1c s GLU 105 CO 0.38 -1.13 0.00 0.41 -0.54 0.00 0.00 175.26 174.39 3h1c n GLY 106 N 4.39 1.28 3.62 -1.50 0.00 -1.26 -4.88 105.19 106.85 3h1c n GLY 106 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3h1c n GLY 106 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h1c s PHE 107 N -2.00 3.23 0.00 1.61 5.36 -1.04 -4.78 117.98 120.35 3h1c s PHE 107 Ca 0.00 0.95 0.00 0.00 -0.96 0.00 0.00 56.93 56.92 3h1c s PHE 107 Cb 0.00 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 3h1c s PHE 107 CO 0.00 -0.54 0.53 0.28 -1.46 0.00 0.00 175.22 174.03 3h1c n VAL 108 N 5.50 0.06 -2.17 3.12 0.31 -1.26 -4.50 118.33 119.39 3h1c n VAL 108 Ca 0.05 -0.53 -0.41 0.00 -0.01 0.00 0.00 64.34 63.44 3h1c n VAL 108 Cb 0.48 0.97 -0.03 0.00 -0.91 0.00 0.00 33.84 34.35 3h1c n VAL 108 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3h1c s ASN 109 N -0.06 6.84 0.71 4.52 0.01 -1.26 -4.54 114.94 121.15 3h1c s ASN 109 Ca 0.00 2.48 -0.16 0.00 -0.71 0.00 0.00 52.86 54.48 3h1c s ASN 109 Cb 0.00 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.07 3h1c s ASN 109 CO 0.00 -0.56 1.21 -0.70 -1.51 0.00 0.00 177.10 175.55 3h1c s GLU 110 N -0.34 2.26 -0.30 -0.60 2.12 -1.26 -4.67 118.70 115.92 3h1c s GLU 110 Ca 0.56 1.79 -0.15 0.00 0.36 0.00 0.00 54.97 57.53 3h1c s GLU 110 Cb -0.38 -1.84 0.16 0.00 0.26 0.00 0.00 34.13 32.33 3h1c s GLU 110 CO 0.41 -1.75 1.00 0.14 -0.54 0.00 0.00 175.26 174.52 3h1c s VAL 111 N -1.90 -0.46 0.10 3.70 -7.23 -1.18 -2.08 120.40 111.35 3h1c s VAL 111 Ca 0.75 0.00 0.10 0.00 -1.81 0.00 0.00 61.98 61.02 3h1c s VAL 111 Cb -0.30 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 3h1c s VAL 111 CO 0.44 0.00 -0.25 0.00 -0.31 0.00 0.00 175.10 174.97 3h1c s GLN 112 N 2.37 1.61 -0.28 4.82 -2.07 -1.17 -3.29 119.66 121.65 3h1c s GLN 112 Ca -0.03 -1.23 0.02 0.00 -1.82 0.00 0.00 55.36 52.30 3h1c s GLN 112 Cb -0.06 -1.97 0.07 0.00 -1.09 0.00 0.00 33.01 29.96 3h1c s GLN 112 CO -0.17 0.48 -0.06 0.08 -1.32 0.00 0.00 175.29 174.30 3h1c s VAL 113 N -0.99 2.31 -0.37 3.63 1.01 -0.93 -2.92 120.40 122.15 3h1c s VAL 113 Ca 0.14 -1.75 -0.19 0.00 0.00 0.00 0.00 61.98 60.18 3h1c s VAL 113 Cb -0.10 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3h1c s VAL 113 CO 0.05 -0.16 0.55 -0.63 0.00 0.00 0.00 175.10 174.92 3h1c s ILE 114 N 1.08 4.96 -0.46 2.22 1.09 -0.23 -1.53 121.20 128.34 3h1c s ILE 114 Ca -0.04 0.30 -0.04 0.00 -1.10 0.00 0.00 60.65 59.76 3h1c s ILE 114 Cb -0.20 -4.03 0.12 0.00 -1.06 0.00 0.00 42.46 37.29 3h1c s ILE 114 CO -0.05 -0.32 0.27 0.00 -0.10 0.00 0.00 174.94 174.74 3h1c s ALA 115 N 2.51 3.27 -0.20 9.38 0.00 -0.02 -1.26 121.76 135.43 3h1c s ALA 115 Ca 0.20 -2.67 -0.08 0.00 0.00 0.00 0.00 51.96 49.41 3h1c s ALA 115 Cb -0.15 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 3h1c s ALA 115 CO 0.15 -1.87 0.09 -0.08 0.00 0.00 0.00 175.76 174.05 3h1c s THR 116 N 0.95 4.93 -0.27 0.00 -1.32 -0.47 -1.46 115.64 118.01 3h1c s THR 116 Ca 0.09 0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.35 3h1c s THR 116 Cb -0.23 -3.25 -0.00 0.00 -1.51 0.00 0.00 72.50 67.51 3h1c s THR 116 CO -0.04 0.42 0.85 -0.69 -2.21 0.00 0.00 174.62 172.95 3h1c s VAL 117 N 0.66 4.78 -0.10 5.08 1.01 -0.70 -0.70 120.40 130.44 3h1c s VAL 117 Ca 0.05 1.47 0.17 0.00 0.00 0.00 0.00 61.98 63.67 3h1c s VAL 117 Cb -0.13 -4.16 -0.25 0.00 0.00 0.00 0.00 36.38 31.84 3h1c s VAL 117 CO 0.01 -0.18 0.22 1.33 0.00 0.00 0.00 175.10 176.49 3h1c n VAL 118 N 5.41 0.63 -3.79 2.92 0.24 -0.89 -3.09 118.33 119.76 3h1c n VAL 118 Ca 0.06 -0.58 -0.13 0.00 -2.04 0.00 0.00 64.34 61.65 3h1c n VAL 118 Cb 0.48 -0.26 -0.11 0.00 -1.47 0.00 0.00 33.84 32.48 3h1c n VAL 118 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3h1c s SER 119 N -4.65 -0.22 -0.05 -1.34 0.15 -0.60 -4.02 113.70 102.97 3h1c s SER 119 Ca -0.08 0.37 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 3h1c s SER 119 Cb 0.08 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 3h1c s SER 119 CO 0.73 -0.17 0.15 0.54 1.20 0.00 0.00 173.24 175.68 3h1c s VAL 120 N -0.26 -0.00 -0.18 4.45 0.11 -0.80 -0.29 120.40 123.44 3h1c s VAL 120 Ca -0.04 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.93 3h1c s VAL 120 Cb -0.03 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 3h1c s VAL 120 CO 0.01 0.00 0.09 0.21 -3.33 0.00 0.00 175.10 172.08 3h1c s ASN 121 N 0.09 5.91 0.00 3.54 2.47 -1.26 -4.62 114.94 121.07 3h1c s ASN 121 Ca -0.00 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.46 3h1c s ASN 121 Cb -0.01 -2.00 0.00 0.00 -1.45 0.00 0.00 41.25 37.79 3h1c s ASN 121 CO 0.00 0.21 0.37 -2.65 -3.72 0.00 0.00 177.10 171.31 3h1c n PRO 122 N 3.33 0.00 -0.03 0.43 -0.02 -1.26 -1.97 135.00 135.48 3h1c n PRO 122 Ca -0.17 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.28 3h1c n PRO 122 Cb 0.52 -1.39 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 3h1c n PRO 122 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3h1c n GLN 123 N -0.87 1.76 -3.79 -0.52 6.02 -1.26 -4.81 117.38 113.91 3h1c n GLN 123 Ca 0.00 0.02 -0.35 0.00 -0.01 0.00 0.00 57.00 56.66 3h1c n GLN 123 Cb 0.00 -1.13 -0.09 0.00 1.02 0.00 0.00 30.24 30.05 3h1c n GLN 123 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h1c s VAL 124 N -2.12 5.25 0.09 5.09 1.01 -0.83 -3.28 120.40 125.60 3h1c s VAL 124 Ca -0.05 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 3h1c s VAL 124 Cb 0.02 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3h1c s VAL 124 CO 0.17 0.43 1.02 0.54 0.00 0.00 0.00 175.10 177.27 3h1c s ASN 125 N 0.45 7.37 0.00 3.32 4.22 -1.26 -4.31 114.94 124.73 3h1c s ASN 125 Ca 0.07 1.85 0.31 0.00 -2.14 0.00 0.00 52.86 52.94 3h1c s ASN 125 Cb -0.12 -2.59 1.82 0.00 1.28 0.00 0.00 41.25 41.65 3h1c s ASN 125 CO -0.01 -0.19 2.17 -2.65 -2.04 0.00 0.00 177.10 174.38 3h1c n PRO 126 N 3.11 0.91 -0.03 3.55 -0.02 -1.26 -4.04 135.00 137.22 3h1c n PRO 126 Ca 0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.40 3h1c n PRO 126 Cb 0.49 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.47 3h1c n PRO 126 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3h1c h ASP 127 N 0.00 0.78 1.57 2.55 2.03 -1.99 -1.56 116.42 119.79 3h1c h ASP 127 Ca 0.00 -0.43 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 3h1c h ASP 127 Cb 0.03 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.31 3h1c h ASP 127 CO 0.00 1.18 -0.38 0.40 -1.03 0.00 0.00 179.24 179.41 3h1c h ILE 128 N 0.53 0.00 -0.18 4.15 2.04 -1.98 -2.72 117.51 119.34 3h1c h ILE 128 Ca 0.00 -0.95 -0.14 0.00 1.00 0.00 0.00 64.86 64.77 3h1c h ILE 128 Cb 1.15 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 3h1c h ILE 128 CO 0.12 0.00 -0.45 0.58 0.00 0.00 0.00 178.15 178.40 3h1c h VAL 129 N 0.00 1.33 0.00 1.67 2.07 -1.70 -2.51 116.25 117.11 3h1c h VAL 129 Ca 0.00 -1.69 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 3h1c h VAL 129 Cb 0.98 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3h1c h VAL 129 CO 0.00 0.52 -0.40 0.00 0.02 0.00 0.00 177.57 177.71 3h1c h ALA 130 N 0.57 0.92 -0.41 1.67 0.00 -1.37 -2.11 119.26 118.54 3h1c h ALA 130 Ca -0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 3h1c h ALA 130 Cb 1.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3h1c h ALA 130 CO 0.10 0.50 -0.33 1.98 0.00 0.00 0.00 179.25 181.49 3h1c h MET 131 N 0.00 0.93 -0.05 0.00 -1.53 -1.42 -1.78 114.93 111.08 3h1c h MET 131 Ca -0.00 -0.45 -0.17 0.00 -3.44 0.00 0.00 59.70 55.64 3h1c h MET 131 Cb 1.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.04 3h1c h MET 131 CO 0.05 1.11 -0.70 0.82 0.14 0.00 0.00 176.91 178.33 3h1c h ILE 132 N 0.77 1.42 -0.52 1.77 2.04 -1.44 -2.96 117.51 118.59 3h1c h ILE 132 Ca 0.08 -2.20 0.03 0.00 1.00 0.00 0.00 64.86 63.77 3h1c h ILE 132 Cb 0.91 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 39.12 3h1c h ILE 132 CO 0.08 0.65 0.29 1.23 0.00 0.00 0.00 178.15 180.40 3h1c h GLY 133 N 1.59 0.74 1.94 5.37 0.00 -1.03 0.53 103.07 112.21 3h1c h GLY 133 Ca -0.02 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 3h1c h GLY 133 CO 0.11 0.16 -0.68 0.00 0.00 0.00 0.00 176.54 176.13 3h1c h ALA 134 N 1.26 0.85 -0.17 3.60 0.00 -1.40 -1.99 119.26 121.39 3h1c h ALA 134 Ca 0.22 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3h1c h ALA 134 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3h1c h ALA 134 CO -0.13 0.83 -0.37 1.03 0.00 0.00 0.00 179.25 180.61 3h1c h SER 135 N 0.04 0.38 0.53 0.00 0.87 -1.25 -2.34 113.55 111.79 3h1c h SER 135 Ca -0.01 -0.15 -0.29 0.00 -1.23 0.00 0.00 61.79 60.10 3h1c h SER 135 Cb 1.21 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 3h1c h SER 135 CO 0.09 0.72 -1.43 0.00 -0.53 0.00 0.00 176.83 175.68 3h1c h ALA 136 N 1.30 0.25 -0.18 6.23 0.00 -0.87 -3.26 119.26 122.73 3h1c h ALA 136 Ca 0.03 -1.06 -0.22 0.00 0.00 0.00 0.00 54.91 53.67 3h1c h ALA 136 Cb 0.80 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.79 3h1c h ALA 136 CO 0.06 1.12 -0.74 0.00 0.00 0.00 0.00 179.25 179.70 3h1c h ALA 137 N 0.57 0.33 0.00 0.00 0.00 -1.35 -2.66 119.26 116.15 3h1c h ALA 137 Ca -0.20 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.02 3h1c h ALA 137 Cb 1.99 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 3h1c h ALA 137 CO 0.17 0.68 -0.50 -0.07 0.00 0.00 0.00 179.25 179.52 3h1c h LEU 138 N 0.57 0.00 -0.06 0.00 3.38 -1.59 -2.36 115.31 115.25 3h1c h LEU 138 Ca -0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3h1c h LEU 138 Cb 1.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 3h1c h LEU 138 CO 0.15 0.50 -0.65 -1.28 0.09 0.00 0.00 178.44 177.26 3h1c h SER 139 N 0.00 0.00 0.72 -0.43 0.87 -1.59 -3.29 113.55 109.83 3h1c h SER 139 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3h1c h SER 139 Cb 0.97 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 3h1c h SER 139 CO 0.07 0.65 -0.91 0.18 -0.53 0.00 0.00 176.83 176.29 3h1c n LEU 140 N -3.29 0.68 0.10 2.23 4.77 -1.00 -4.23 117.00 116.25 3h1c n LEU 140 Ca 0.01 0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 56.13 3h1c n LEU 140 Cb 0.78 -0.11 0.20 0.00 -2.33 0.00 0.00 43.42 41.96 3h1c n LEU 140 CO 0.42 -0.06 0.59 0.77 -1.33 0.00 0.00 177.39 177.79 3h1c h SER 141 N 0.00 0.24 0.00 -1.43 4.64 -1.49 -3.07 113.55 112.43 3h1c h SER 141 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3h1c h SER 141 Cb 0.82 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3h1c h SER 141 CO 0.00 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 3h1c n GLY 142 N -0.05 1.30 3.72 -0.77 0.00 -1.26 -4.84 105.19 103.29 3h1c n GLY 142 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3h1c n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1c s ILE 143 N -2.31 2.64 -0.79 -0.61 1.01 -1.26 -1.28 121.20 118.60 3h1c s ILE 143 Ca 0.00 0.44 -0.33 0.00 0.00 0.00 0.00 60.65 60.76 3h1c s ILE 143 Cb 0.00 -3.28 -0.20 0.00 0.01 0.00 0.00 42.46 38.99 3h1c s ILE 143 CO 0.00 0.03 2.37 -2.65 0.00 0.00 0.00 174.94 174.70 3h1c n PRO 144 N 4.07 0.00 -3.56 2.79 -0.02 -1.26 -4.88 135.00 132.13 3h1c n PRO 144 Ca 0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.52 3h1c n PRO 144 Cb 0.39 -1.41 -0.10 0.00 -0.02 0.00 0.00 33.50 32.35 3h1c n PRO 144 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3h1c s PHE 145 N 7.58 -0.68 -0.22 6.00 5.36 -1.26 -4.49 117.98 130.27 3h1c s PHE 145 Ca 1.23 1.12 -0.03 0.00 -0.96 0.00 0.00 56.93 58.30 3h1c s PHE 145 Cb -1.26 0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 41.52 3h1c s PHE 145 CO 0.51 -0.52 2.72 0.09 -1.46 0.00 0.00 175.22 176.56 3h1c n ASN 146 N 5.37 5.95 0.00 6.13 3.02 -1.20 -4.87 115.26 129.67 3h1c n ASN 146 Ca -0.06 -2.84 0.00 0.00 -0.03 0.00 0.00 54.58 51.64 3h1c n ASN 146 Cb 0.50 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 3h1c n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1c n GLY 147 N 1.31 2.34 3.93 7.41 0.00 -1.26 -4.96 105.19 113.96 3h1c n GLY 147 Ca 0.35 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 3h1c n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1c s PRO 148 N 3.49 2.50 0.17 1.61 0.04 -1.26 -4.94 135.00 136.61 3h1c s PRO 148 Ca 0.00 -0.24 0.06 0.00 0.04 0.00 0.00 61.00 60.86 3h1c s PRO 148 Cb 0.00 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3h1c s PRO 148 CO 0.00 -0.97 0.05 0.96 0.04 0.00 0.00 177.00 177.08 3h1c s ILE 149 N -3.08 3.99 0.17 0.56 -4.36 -1.26 -4.01 121.20 113.21 3h1c s ILE 149 Ca 0.57 -1.31 0.04 0.00 -0.26 0.00 0.00 60.65 59.70 3h1c s ILE 149 Cb -0.11 -3.02 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 3h1c s ILE 149 CO 0.44 -0.11 0.18 -0.83 0.24 0.00 0.00 174.94 174.86 3h1c s GLY 150 N -3.01 1.68 -0.10 6.27 0.00 -0.69 -4.74 107.32 106.73 3h1c s GLY 150 Ca 0.29 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3h1c s GLY 150 CO 0.20 -1.19 -0.12 0.00 0.00 0.00 0.00 173.10 171.99 3h1c s ALA 151 N -1.78 1.47 0.01 3.20 0.00 -1.26 -3.48 121.76 119.92 3h1c s ALA 151 Ca 0.32 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 3h1c s ALA 151 Cb -0.10 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 3h1c s ALA 151 CO 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 175.76 175.89 3h1c s ALA 152 N 1.07 0.04 -0.16 0.00 0.00 -1.06 -4.84 121.76 116.82 3h1c s ALA 152 Ca -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 3h1c s ALA 152 Cb -0.15 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 3h1c s ALA 152 CO -0.02 -0.09 -0.13 0.50 0.00 0.00 0.00 175.76 176.02 3h1c s ARG 153 N -0.75 3.27 -0.13 0.00 3.52 -1.26 -1.56 118.95 122.04 3h1c s ARG 153 Ca -0.08 -0.72 -0.00 0.00 -0.13 0.00 0.00 55.73 54.79 3h1c s ARG 153 Cb -0.05 -2.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.64 3h1c s ARG 153 CO -0.00 0.02 -0.12 0.08 -0.81 0.00 0.00 175.30 174.46 3h1c s VAL 154 N 0.83 3.16 -0.00 7.11 1.01 -0.72 0.59 120.40 132.38 3h1c s VAL 154 Ca -0.04 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3h1c s VAL 154 Cb -0.15 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3h1c s VAL 154 CO 0.00 0.52 -0.17 -0.83 0.00 0.00 0.00 175.10 174.63 3h1c s GLY 155 N 0.28 0.84 -0.83 4.51 0.00 -0.45 -2.67 107.32 109.00 3h1c s GLY 155 Ca -0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 3h1c s GLY 155 CO 0.05 -0.65 0.76 -0.47 0.00 0.00 0.00 173.10 172.80 3h1c s TYR 156 N -0.46 3.77 -0.14 1.90 5.04 -1.25 -0.23 117.35 125.98 3h1c s TYR 156 Ca 0.06 -2.15 -0.01 0.00 -2.44 0.00 0.00 57.07 52.52 3h1c s TYR 156 Cb -0.07 -3.74 -0.02 0.00 0.35 0.00 0.00 41.96 38.48 3h1c s TYR 156 CO -0.00 -0.97 -0.10 0.42 -1.34 0.00 0.00 175.55 173.56 3h1c s ILE 157 N -0.02 3.33 -1.46 3.14 1.01 -0.44 -3.02 121.20 123.74 3h1c s ILE 157 Ca 0.19 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 3h1c s ILE 157 Cb -0.11 -2.42 0.06 0.00 0.01 0.00 0.00 42.46 40.00 3h1c s ILE 157 CO -0.08 0.51 0.96 0.59 0.00 0.00 0.00 174.94 176.92 3h1c n ASN 158 N 3.55 -4.27 -2.40 3.58 3.02 -1.26 -1.57 115.26 115.91 3h1c n ASN 158 Ca -0.18 -0.75 -0.20 0.00 -0.03 0.00 0.00 54.58 53.42 3h1c n ASN 158 Cb 0.53 -4.09 -0.01 0.00 -0.61 0.00 0.00 39.78 35.59 3h1c n ASN 158 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3h1c n ASP 159 N -2.91 -5.66 -4.02 6.41 8.00 -1.26 -5.00 116.55 112.11 3h1c n ASP 159 Ca -0.03 0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 3h1c n ASP 159 Cb 0.56 -4.72 -0.12 0.00 -0.02 0.00 0.00 41.12 36.82 3h1c n ASP 159 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3h1c s GLN 160 N -5.04 0.46 -0.05 -1.24 -1.52 -0.61 -5.14 119.66 106.52 3h1c s GLN 160 Ca 0.00 -0.59 -0.27 0.00 -1.95 0.00 0.00 55.36 52.55 3h1c s GLN 160 Cb 0.00 -0.26 -0.03 0.00 -0.22 0.00 0.00 33.01 32.50 3h1c s GLN 160 CO 0.00 0.05 0.88 0.71 -0.25 0.00 0.00 175.29 176.68 3h1c s TYR 161 N -1.06 3.59 -0.10 0.91 1.51 -1.26 -1.33 117.35 119.62 3h1c s TYR 161 Ca -0.08 1.51 0.04 0.00 -1.01 0.00 0.00 57.07 57.53 3h1c s TYR 161 Cb -0.08 -3.02 0.00 0.00 -0.11 0.00 0.00 41.96 38.75 3h1c s TYR 161 CO 0.00 -0.03 -0.23 0.08 -1.11 0.00 0.00 175.55 174.26 3h1c s VAL 162 N 1.19 1.96 -0.04 0.71 1.01 0.68 -4.96 120.40 120.95 3h1c s VAL 162 Ca 0.46 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 3h1c s VAL 162 Cb -0.19 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3h1c s VAL 162 CO 0.22 0.54 0.86 -0.22 0.00 0.00 0.00 175.10 176.50 3h1c s LEU 163 N 0.39 4.33 -0.57 3.92 2.96 -1.26 -1.34 118.68 127.11 3h1c s LEU 163 Ca -0.18 1.44 -0.18 0.00 -0.22 0.00 0.00 54.13 54.99 3h1c s LEU 163 Cb -0.18 -3.35 0.03 0.00 0.50 0.00 0.00 46.19 43.18 3h1c s LEU 163 CO 0.08 -0.22 0.64 0.59 -1.32 0.00 0.00 176.35 176.12 3h1c n ASN 164 N 3.98 -6.45 -4.72 3.68 3.02 0.20 -4.86 115.26 110.11 3h1c n ASN 164 Ca 0.03 -0.12 -0.41 0.00 -0.03 0.00 0.00 54.58 54.05 3h1c n ASN 164 Cb 0.51 -3.33 -0.04 0.00 -0.61 0.00 0.00 39.78 36.31 3h1c n ASN 164 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3h1c s PRO 165 N -3.12 4.63 0.81 3.52 0.02 -1.26 -5.01 135.00 134.60 3h1c s PRO 165 Ca 0.20 1.50 -0.12 0.00 0.02 0.00 0.00 61.00 62.61 3h1c s PRO 165 Cb -0.03 -3.38 0.08 0.00 0.02 0.00 0.00 34.50 31.18 3h1c s PRO 165 CO 0.83 0.10 1.11 -0.08 -0.33 0.00 0.00 177.00 178.63 3h1c s THR 166 N 0.28 2.88 0.27 0.99 -1.32 -1.26 -4.74 115.64 112.73 3h1c s THR 166 Ca 0.49 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 61.26 3h1c s THR 166 Cb -0.24 -3.07 0.25 0.00 -1.51 0.00 0.00 72.50 67.93 3h1c s THR 166 CO 0.30 -0.37 1.74 1.56 -2.21 0.00 0.00 174.62 175.64 3h1c h GLN 167 N -1.11 0.53 -0.01 7.08 1.08 -1.86 0.15 115.11 120.98 3h1c h GLN 167 Ca -0.47 -0.03 -0.19 0.00 -1.45 0.00 0.00 58.65 56.51 3h1c h GLN 167 Cb 1.28 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 3h1c h GLN 167 CO 0.61 0.35 -0.84 -0.44 -0.95 0.00 0.00 178.83 177.56 3h1c h ASP 168 N 0.55 0.25 1.80 1.46 3.32 -1.93 -3.21 116.42 118.66 3h1c h ASP 168 Ca 0.48 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 3h1c h ASP 168 Cb 0.76 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3h1c h ASP 168 CO -0.41 0.98 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.81 3h1c h GLU 169 N 0.11 0.00 0.00 3.56 4.81 -1.64 -3.25 114.58 118.17 3h1c h GLU 169 Ca -0.04 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3h1c h GLU 169 Cb 1.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 3h1c h GLU 169 CO 0.13 0.19 -0.22 1.25 -0.73 0.00 0.00 179.01 179.63 3h1c h LEU 170 N 0.00 0.00 -1.34 1.64 6.46 -0.74 -3.21 115.31 118.13 3h1c h LEU 170 Ca -0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 3h1c h LEU 170 Cb 1.15 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.06 3h1c h LEU 170 CO 0.02 0.22 0.13 0.11 -0.62 0.00 0.00 178.44 178.30 3h1c h LYS 171 N 0.00 0.58 0.00 1.25 1.79 -1.63 -2.27 116.57 116.28 3h1c h LYS 171 Ca -0.00 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3h1c h LYS 171 Cb 0.85 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 3h1c h LYS 171 CO 0.03 0.51 -0.46 0.93 -1.08 0.00 0.00 179.45 179.38 3h1c h GLU 172 N 0.57 0.00 -6.89 3.15 4.39 -1.76 -3.47 114.58 110.57 3h1c h GLU 172 Ca 0.14 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.34 3h1c h GLU 172 Cb 0.17 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3h1c h GLU 172 CO -0.01 0.00 0.44 0.45 -1.16 0.00 0.00 179.01 178.73 3h1c s SER 173 N -5.07 7.01 0.00 1.42 0.15 -0.86 -4.88 113.70 111.47 3h1c s SER 173 Ca 0.05 2.14 0.23 0.00 0.70 0.00 0.00 55.95 59.07 3h1c s SER 173 Cb 0.10 -2.60 0.52 0.00 -1.71 0.00 0.00 66.02 62.33 3h1c s SER 173 CO 0.70 -0.32 1.46 0.29 1.20 0.00 0.00 173.24 176.58 3h1c n LYS 174 N 0.53 2.61 -3.81 5.44 4.01 -1.17 -4.94 118.16 120.83 3h1c n LYS 174 Ca 0.02 -2.46 -0.12 0.00 -0.51 0.00 0.00 58.31 55.23 3h1c n LYS 174 Cb 0.47 -1.54 -0.12 0.00 -0.51 0.00 0.00 35.03 33.33 3h1c n LYS 174 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3h1c s LEU 175 N -1.25 1.34 -0.23 -0.35 2.96 -1.26 -1.64 118.68 118.24 3h1c s LEU 175 Ca 0.43 0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.66 3h1c s LEU 175 Cb 0.24 0.59 0.12 0.00 0.50 0.00 0.00 46.19 47.63 3h1c s LEU 175 CO 0.32 -0.06 0.29 -0.62 -1.32 0.00 0.00 176.35 174.96 3h1c s ASP 176 N 0.09 1.05 0.02 3.68 2.15 -0.48 -3.84 116.67 119.34 3h1c s ASP 176 Ca -0.00 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 52.80 3h1c s ASP 176 Cb -0.01 0.65 -0.02 0.00 -0.30 0.00 0.00 42.92 43.24 3h1c s ASP 176 CO 0.00 -0.33 -0.03 -1.48 -0.17 0.00 0.00 175.17 173.16 3h1c s LEU 177 N 2.41 2.22 -0.21 -1.34 0.05 -1.09 -0.18 118.68 120.53 3h1c s LEU 177 Ca 0.09 -0.45 -0.02 0.00 0.05 0.00 0.00 54.13 53.80 3h1c s LEU 177 Cb -0.15 0.08 -0.00 0.00 -2.05 0.00 0.00 46.19 44.07 3h1c s LEU 177 CO -0.17 -0.27 -0.09 -0.69 -0.55 0.00 0.00 176.35 174.58 3h1c s VAL 178 N -1.32 3.00 -0.14 1.48 1.01 0.63 -1.76 120.40 123.29 3h1c s VAL 178 Ca -0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 3h1c s VAL 178 Cb -0.09 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3h1c s VAL 178 CO -0.01 0.46 -0.08 0.54 0.00 0.00 0.00 175.10 176.01 3h1c s VAL 179 N 1.39 3.55 -0.01 2.92 0.11 -0.60 -1.59 120.40 126.16 3h1c s VAL 179 Ca 0.05 -0.48 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 3h1c s VAL 179 Cb -0.14 -2.53 -0.01 0.00 -1.53 0.00 0.00 36.38 32.17 3h1c s VAL 179 CO -0.06 0.51 -0.13 0.00 -3.33 0.00 0.00 175.10 172.10 3h1c s ALA 180 N 0.33 1.07 -0.25 1.54 0.00 0.46 -2.57 121.76 122.33 3h1c s ALA 180 Ca -0.07 -0.53 -0.37 0.00 0.00 0.00 0.00 51.96 51.00 3h1c s ALA 180 Cb -0.15 -0.29 0.15 0.00 0.00 0.00 0.00 23.12 22.83 3h1c s ALA 180 CO 0.04 0.24 1.32 0.20 0.00 0.00 0.00 175.76 177.56 3h1c s GLY 181 N -0.20 -0.23 0.86 0.00 0.00 -1.23 -0.87 107.32 105.66 3h1c s GLY 181 Ca 0.03 1.83 -0.15 0.00 0.00 0.00 0.00 44.72 46.43 3h1c s GLY 181 CO -0.00 0.61 1.04 -0.37 0.00 0.00 0.00 173.10 174.38 3h1c n THR 182 N -0.02 0.00 -0.07 0.90 5.66 0.32 -1.71 114.28 119.36 3h1c n THR 182 Ca 0.03 -0.69 0.05 0.00 -3.05 0.00 0.00 64.05 60.40 3h1c n THR 182 Cb 0.57 -1.48 0.40 0.00 -1.55 0.00 0.00 70.33 68.27 3h1c n THR 182 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3h1c h GLU 183 N 0.00 0.60 0.05 1.09 4.81 -1.93 -3.25 114.58 115.95 3h1c h GLU 183 Ca -0.35 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 58.59 3h1c h GLU 183 Cb 0.99 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 3h1c h GLU 183 CO 0.24 0.40 -1.39 0.00 -0.73 0.00 0.00 179.01 177.53 3h1c h ALA 184 N 1.69 0.28 -2.41 2.92 0.00 -1.95 -3.50 119.26 116.29 3h1c h ALA 184 Ca 0.21 -1.20 -0.14 0.00 0.00 0.00 0.00 54.91 53.78 3h1c h ALA 184 Cb 0.08 0.66 -0.15 0.00 0.00 0.00 0.00 17.79 18.38 3h1c h ALA 184 CO -0.05 0.83 -0.58 0.00 0.00 0.00 0.00 179.25 179.45 3h1c s ALA 185 N -2.42 0.50 0.45 0.00 0.00 -1.23 -5.11 121.76 113.95 3h1c s ALA 185 Ca -0.25 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 50.30 3h1c s ALA 185 Cb 0.05 0.64 -0.10 0.00 0.00 0.00 0.00 23.12 23.71 3h1c s ALA 185 CO 0.67 -0.48 0.97 0.08 0.00 0.00 0.00 175.76 177.00 3h1c s VAL 186 N -3.97 4.28 0.00 0.00 1.01 -1.26 -0.52 120.40 119.93 3h1c s VAL 186 Ca 0.16 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3h1c s VAL 186 Cb 0.07 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3h1c s VAL 186 CO -0.04 -0.33 0.00 0.18 0.00 0.00 0.00 175.10 174.92 3h1c n LEU 187 N -0.77 1.29 -3.85 3.92 4.77 -0.05 -4.48 117.00 117.83 3h1c n LEU 187 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 3h1c n LEU 187 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 3h1c n LEU 187 CO 0.38 0.16 -0.15 -0.32 -1.33 0.00 0.00 177.39 176.13 3h1c s MET 188 N -1.85 0.49 -0.08 3.23 0.00 -0.10 -0.23 119.30 120.76 3h1c s MET 188 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 55.69 55.32 3h1c s MET 188 Cb 0.00 0.21 0.04 0.00 0.00 0.00 0.00 34.83 35.08 3h1c s MET 188 CO 0.00 -0.12 0.16 0.08 0.00 0.00 0.00 175.02 175.15 3h1c s VAL 189 N -1.29 -0.12 -0.12 10.11 1.01 0.80 -0.41 120.40 130.38 3h1c s VAL 189 Ca -0.14 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.10 3h1c s VAL 189 Cb -0.07 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.04 3h1c s VAL 189 CO 0.02 0.10 -0.19 -0.70 0.00 0.00 0.00 175.10 174.32 3h1c s GLU 190 N 1.55 2.63 0.12 2.72 2.56 -0.62 -0.43 118.70 127.22 3h1c s GLU 190 Ca -0.05 -0.72 0.04 0.00 0.00 0.00 0.00 54.97 54.24 3h1c s GLU 190 Cb -0.12 -2.13 -0.04 0.00 2.00 0.00 0.00 34.13 33.84 3h1c s GLU 190 CO -0.06 0.00 -0.10 -1.54 -0.56 0.00 0.00 175.26 172.99 3h1c s SER 191 N 0.80 1.60 -0.24 -1.70 1.04 -1.12 -0.27 113.70 113.81 3h1c s SER 191 Ca -0.09 -0.89 -0.04 0.00 0.48 0.00 0.00 55.95 55.41 3h1c s SER 191 Cb -0.16 -0.00 0.08 0.00 0.10 0.00 0.00 66.02 66.04 3h1c s SER 191 CO 0.00 -0.28 0.11 -0.70 0.98 0.00 0.00 173.24 173.35 3h1c s GLU 192 N -3.13 0.14 0.31 4.02 2.12 0.74 -4.16 118.70 118.74 3h1c s GLU 192 Ca 0.10 -0.34 0.09 0.00 0.36 0.00 0.00 54.97 55.17 3h1c s GLU 192 Cb -0.01 -1.47 -0.04 0.00 0.26 0.00 0.00 34.13 32.87 3h1c s GLU 192 CO 0.00 -0.86 0.10 0.00 -0.54 0.00 0.00 175.26 173.96 3h1c s ALA 193 N 2.11 3.40 -0.73 6.30 0.00 0.85 -1.38 121.76 132.31 3h1c s ALA 193 Ca 0.06 -1.75 0.03 0.00 0.00 0.00 0.00 51.96 50.30 3h1c s ALA 193 Cb -0.16 -0.78 0.18 0.00 0.00 0.00 0.00 23.12 22.36 3h1c s ALA 193 CO -0.25 0.12 0.54 -1.14 0.00 0.00 0.00 175.76 175.03 3h1c s GLN 194 N -3.79 2.62 -1.32 0.00 0.74 -0.65 -4.47 119.66 112.78 3h1c s GLN 194 Ca 0.35 -3.27 -0.00 0.00 0.05 0.00 0.00 55.36 52.49 3h1c s GLN 194 Cb -0.04 -3.54 -0.00 0.00 1.10 0.00 0.00 33.01 30.53 3h1c s GLN 194 CO 0.22 -1.27 0.65 1.28 -0.55 0.00 0.00 175.29 175.63 3h1c n LEU 195 N 2.16 -2.97 -4.92 3.68 4.32 -1.08 -4.97 117.00 113.23 3h1c n LEU 195 Ca 0.19 -0.85 -0.31 0.00 -0.02 0.00 0.00 56.01 55.01 3h1c n LEU 195 Cb 0.35 -2.59 -0.04 0.00 -1.62 0.00 0.00 43.42 39.52 3h1c n LEU 195 CO 0.30 0.41 -0.12 -0.76 -1.22 0.00 0.00 177.39 176.00 3h1c s LEU 196 N -6.71 4.35 0.94 2.23 1.43 -0.97 -4.42 118.68 115.53 3h1c s LEU 196 Ca 0.01 0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 3h1c s LEU 196 Cb -0.00 -3.00 0.16 0.00 0.03 0.00 0.00 46.19 43.38 3h1c s LEU 196 CO 0.82 0.16 1.14 -0.94 0.23 0.00 0.00 176.35 177.76 3h1c s SER 197 N -2.47 3.20 0.20 2.29 1.04 -1.26 -0.18 113.70 116.52 3h1c s SER 197 Ca 0.36 0.93 -0.09 0.00 0.48 0.00 0.00 55.95 57.63 3h1c s SER 197 Cb -0.13 -1.47 0.13 0.00 0.10 0.00 0.00 66.02 64.65 3h1c s SER 197 CO 0.27 -2.74 1.77 -0.33 0.98 0.00 0.00 173.24 173.18 3h1c h GLU 198 N -1.63 1.11 0.00 4.02 3.07 -1.96 -2.18 114.58 117.01 3h1c h GLU 198 Ca -0.50 -0.20 -0.10 0.00 -0.50 0.00 0.00 59.36 58.05 3h1c h GLU 198 Cb 1.33 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3h1c h GLU 198 CO 0.59 0.91 -0.48 -0.44 -1.40 0.00 0.00 179.01 178.18 3h1c h ASP 199 N 1.07 0.00 0.78 1.42 3.32 -1.99 -1.70 116.42 119.32 3h1c h ASP 199 Ca 0.25 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.12 3h1c h ASP 199 Cb 0.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3h1c h ASP 199 CO -0.02 0.48 -0.83 1.56 -1.72 0.00 0.00 179.24 178.71 3h1c h GLN 200 N 0.00 0.04 0.04 3.56 4.20 -1.87 -2.31 115.11 118.76 3h1c h GLN 200 Ca -0.00 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 3h1c h GLN 200 Cb 0.85 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.66 3h1c h GLN 200 CO 0.06 0.84 -0.50 0.52 -0.67 0.00 0.00 178.83 179.09 3h1c h MET 201 N 0.02 0.27 -0.20 1.46 2.86 -1.20 -3.17 114.93 114.97 3h1c h MET 201 Ca -0.02 -0.34 -0.14 0.00 -2.06 0.00 0.00 59.70 57.14 3h1c h MET 201 Cb 1.46 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.22 3h1c h MET 201 CO 0.11 1.08 -0.45 1.25 1.06 0.00 0.00 176.91 179.96 3h1c h LEU 202 N -0.37 0.54 -1.84 1.22 6.46 -1.42 -2.89 115.31 117.01 3h1c h LEU 202 Ca -0.07 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 3h1c h LEU 202 Cb 1.28 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 3h1c h LEU 202 CO 0.10 0.92 0.00 1.23 -0.62 0.00 0.00 178.44 180.07 3h1c h GLY 203 N 1.10 0.00 1.41 3.75 0.00 -1.53 -2.73 103.07 105.08 3h1c h GLY 203 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.09 3h1c h GLY 203 CO 0.08 0.00 -1.41 0.00 0.00 0.00 0.00 176.54 175.21 3h1c h ALA 204 N 2.01 0.50 -0.30 3.60 0.00 -1.48 -2.93 119.26 120.66 3h1c h ALA 204 Ca 0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 54.91 53.61 3h1c h ALA 204 Cb 0.36 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3h1c h ALA 204 CO 0.00 1.36 -0.27 0.28 0.00 0.00 0.00 179.25 180.62 3h1c h VAL 205 N 0.02 1.30 -0.38 0.00 2.07 -1.38 -2.50 116.25 115.37 3h1c h VAL 205 Ca -0.18 -1.44 -0.13 0.00 0.82 0.00 0.00 66.70 65.78 3h1c h VAL 205 Cb 1.92 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 3h1c h VAL 205 CO 0.12 0.46 -0.27 0.58 0.02 0.00 0.00 177.57 178.47 3h1c h VAL 206 N 0.48 1.28 0.13 2.57 2.07 -1.63 -2.44 116.25 118.70 3h1c h VAL 206 Ca 0.05 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3h1c h VAL 206 Cb 0.84 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3h1c h VAL 206 CO 0.07 0.47 -0.11 0.15 0.02 0.00 0.00 177.57 178.17 3h1c h PHE 207 N 0.68 -0.28 -0.17 1.57 3.57 -1.48 -2.26 116.94 118.57 3h1c h PHE 207 Ca 0.08 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 3h1c h PHE 207 Cb 0.80 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3h1c h PHE 207 CO 0.04 -0.17 -0.31 0.78 -2.23 0.00 0.00 178.31 176.42 3h1c h GLY 208 N -0.26 0.35 1.96 2.40 0.00 -1.46 -2.46 103.07 103.60 3h1c h GLY 208 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 3h1c h GLY 208 CO -0.02 0.27 -0.45 0.84 0.00 0.00 0.00 176.54 177.18 3h1c h HIS 209 N 0.29 0.06 0.04 5.60 -0.00 -1.33 -1.69 115.15 118.12 3h1c h HIS 209 Ca 0.04 -0.02 -0.23 0.00 -0.00 0.00 0.00 60.37 60.16 3h1c h HIS 209 Cb 0.70 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.09 3h1c h HIS 209 CO 0.02 0.50 -1.02 0.93 -0.00 0.00 0.00 177.93 178.35 3h1c h GLU 210 N 0.04 0.25 0.00 5.26 5.08 -1.21 -3.32 114.58 120.68 3h1c h GLU 210 Ca -0.00 -0.33 -0.18 0.00 -1.00 0.00 0.00 59.36 57.85 3h1c h GLU 210 Cb 0.82 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3h1c h GLU 210 CO 0.06 1.08 -0.84 1.96 -1.00 0.00 0.00 179.01 180.27 3h1c h GLN 211 N 0.12 0.07 0.00 2.33 1.08 -1.27 -3.20 115.11 114.24 3h1c h GLN 211 Ca -0.08 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3h1c h GLN 211 Cb 1.70 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.15 3h1c h GLN 211 CO 0.16 0.86 0.00 0.00 -0.95 0.00 0.00 178.83 178.91 3h1c n GLN 212 N -3.60 0.41 0.20 1.46 10.64 -0.65 -3.65 117.38 122.19 3h1c n GLN 212 Ca -0.02 0.02 0.03 0.00 -1.83 0.00 0.00 57.00 55.21 3h1c n GLN 212 Cb 0.79 -1.50 0.41 0.00 -0.86 0.00 0.00 30.24 29.09 3h1c n GLN 212 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h1c h GLN 213 N 0.00 0.01 0.00 2.61 1.08 -1.65 -2.47 115.11 114.69 3h1c h GLN 213 Ca 0.00 -0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 3h1c h GLN 213 Cb 0.26 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3h1c h GLN 213 CO 0.00 0.30 -0.31 -0.24 -0.95 0.00 0.00 178.83 177.63 3h1c h VAL 214 N 0.01 0.87 -0.02 -0.54 3.04 -1.80 -2.26 116.25 115.56 3h1c h VAL 214 Ca -0.00 -1.25 -0.17 0.00 -1.01 0.00 0.00 66.70 64.27 3h1c h VAL 214 Cb 0.52 1.75 0.01 0.00 -2.01 0.00 0.00 31.29 31.57 3h1c h VAL 214 CO 0.04 0.31 -0.65 0.58 -1.01 0.00 0.00 177.57 176.83 3h1c h VAL 215 N 0.00 1.40 -0.76 1.51 2.07 -1.69 -3.15 116.25 115.62 3h1c h VAL 215 Ca -0.00 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 3h1c h VAL 215 Cb 0.73 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.96 3h1c h VAL 215 CO 0.04 0.61 0.43 0.40 0.02 0.00 0.00 177.57 179.07 3h1c h ILE 216 N 0.01 1.22 -0.45 4.57 2.04 -1.36 -2.23 117.51 121.31 3h1c h ILE 216 Ca -0.08 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 3h1c h ILE 216 Cb 1.35 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3h1c h ILE 216 CO 0.13 0.24 0.02 1.56 0.00 0.00 0.00 178.15 180.10 3h1c h GLN 217 N 1.05 0.73 0.00 2.37 4.20 -1.51 -1.70 115.11 120.25 3h1c h GLN 217 Ca 0.27 -0.18 -0.17 0.00 0.06 0.00 0.00 58.65 58.62 3h1c h GLN 217 Cb 0.01 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3h1c h GLN 217 CO -0.05 0.73 -0.83 -0.91 -0.67 0.00 0.00 178.83 177.11 3h1c h ASN 218 N 0.69 0.00 -0.16 1.46 2.35 -1.46 -2.43 115.58 116.03 3h1c h ASN 218 Ca 0.14 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.74 3h1c h ASN 218 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3h1c h ASN 218 CO 0.01 0.83 -0.49 0.40 -1.65 0.00 0.00 177.43 176.54 3h1c h ILE 219 N 0.00 1.33 -0.64 2.81 2.04 -1.29 -2.80 117.51 118.96 3h1c h ILE 219 Ca -0.01 -1.75 -0.03 0.00 1.00 0.00 0.00 64.86 64.08 3h1c h ILE 219 Cb 1.48 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.53 3h1c h ILE 219 CO 0.11 0.54 0.28 -1.13 0.00 0.00 0.00 178.15 177.95 3h1c h ASN 220 N 0.28 0.84 0.68 1.72 -1.24 -1.32 -2.04 115.58 114.49 3h1c h ASN 220 Ca -0.02 -0.10 -0.10 0.00 0.71 0.00 0.00 56.30 56.80 3h1c h ASN 220 Cb 1.11 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.93 3h1c h ASN 220 CO 0.10 0.73 -0.47 -0.33 -1.29 0.00 0.00 177.43 176.17 3h1c h GLU 221 N 0.91 0.00 -0.02 6.67 4.39 -1.49 -2.87 114.58 122.17 3h1c h GLU 221 Ca 0.22 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.76 3h1c h GLU 221 Cb 0.13 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3h1c h GLU 221 CO -0.02 0.47 -0.73 1.25 -1.16 0.00 0.00 179.01 178.82 3h1c h LEU 222 N 0.00 0.16 -0.54 1.33 6.46 -1.11 -1.65 115.31 119.96 3h1c h LEU 222 Ca -0.00 -0.11 -0.14 0.00 -0.12 0.00 0.00 57.88 57.51 3h1c h LEU 222 Cb 0.94 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 3h1c h LEU 222 CO 0.06 0.83 -0.29 0.58 -0.62 0.00 0.00 178.44 179.00 3h1c h VAL 223 N 0.09 1.27 0.00 1.05 2.07 -1.32 -2.08 116.25 117.34 3h1c h VAL 223 Ca -0.02 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 65.97 3h1c h VAL 223 Cb 1.28 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 3h1c h VAL 223 CO 0.10 0.49 -0.37 0.11 0.02 0.00 0.00 177.57 177.93 3h1c h LYS 224 N 0.73 0.00 0.07 1.57 1.57 -1.40 -3.35 116.57 115.75 3h1c h LYS 224 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3h1c h LYS 224 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3h1c h LYS 224 CO 0.07 0.37 -0.03 1.49 -0.57 0.00 0.00 179.45 180.78 3h1c h GLU 225 N 0.00 -0.09 -2.86 3.15 4.81 -1.12 -3.47 114.58 114.99 3h1c h GLU 225 Ca -0.00 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 3h1c h GLU 225 Cb 0.82 0.02 -0.32 0.00 0.63 0.00 0.00 28.75 29.90 3h1c h GLU 225 CO 0.05 -0.06 -0.52 0.00 -0.73 0.00 0.00 179.01 177.74 3h1c s ALA 226 N -3.01 -0.57 0.00 2.92 0.00 -0.80 -5.10 121.76 115.20 3h1c s ALA 226 Ca -0.01 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3h1c s ALA 226 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.13 3h1c s ALA 226 CO 0.04 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.60 3h1c n GLY 227 N 5.27 0.46 3.76 0.00 0.00 -1.26 -4.59 105.19 108.82 3h1c n GLY 227 Ca -0.08 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 3h1c n GLY 227 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1c s LYS 228 N -2.00 4.62 0.97 1.61 1.02 -1.16 -5.03 119.74 119.77 3h1c s LYS 228 Ca 0.00 1.82 -0.11 0.00 0.02 0.00 0.00 55.97 57.70 3h1c s LYS 228 Cb 0.00 -3.19 0.18 0.00 -0.52 0.00 0.00 37.83 34.29 3h1c s LYS 228 CO 0.00 0.17 1.09 -1.25 -0.92 0.00 0.00 175.35 174.44 3h1c s PRO 229 N -1.30 0.58 0.51 -1.68 0.04 -1.26 -4.30 135.00 127.58 3h1c s PRO 229 Ca 0.45 1.09 -0.22 0.00 0.04 0.00 0.00 61.00 62.36 3h1c s PRO 229 Cb -0.32 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 3h1c s PRO 229 CO 0.41 -2.78 1.22 1.03 0.04 0.00 0.00 177.00 176.92 3h1c s ARG 230 N -4.70 3.46 0.36 4.56 0.52 -1.26 -4.42 118.95 117.47 3h1c s ARG 230 Ca 0.66 1.89 -0.27 0.00 -0.52 0.00 0.00 55.73 57.49 3h1c s ARG 230 Cb -0.22 -2.27 -0.09 0.00 0.52 0.00 0.00 34.95 32.89 3h1c s ARG 230 CO 0.59 -0.83 1.14 -1.58 0.02 0.00 0.00 175.30 174.64 3h1c s TRP 231 N -1.50 3.26 -0.94 -0.53 0.52 -0.40 -4.97 118.94 114.37 3h1c s TRP 231 Ca 0.68 1.60 -0.23 0.00 0.02 0.00 0.00 56.10 58.17 3h1c s TRP 231 Cb -0.32 -3.34 0.06 0.00 -1.15 0.00 0.00 33.47 28.72 3h1c s TRP 231 CO 0.37 -1.00 1.36 0.34 0.02 0.00 0.00 176.95 178.04 3h1c s ASP 232 N -1.08 6.44 -0.05 2.95 2.15 -1.26 -4.94 116.67 120.88 3h1c s ASP 232 Ca 0.53 -1.32 -0.03 0.00 0.43 0.00 0.00 52.55 52.16 3h1c s ASP 232 Cb -0.30 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 39.80 3h1c s ASP 232 CO 0.39 -1.51 0.11 0.86 -0.17 0.00 0.00 175.17 174.84 3h1c s TRP 233 N 4.80 -0.11 -0.01 -5.34 -0.00 -1.26 -5.15 118.94 111.87 3h1c s TRP 233 Ca 0.41 0.33 0.04 0.00 -0.00 0.00 0.00 56.10 56.89 3h1c s TRP 233 Cb -0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 33.47 33.39 3h1c s TRP 233 CO -0.04 -0.10 -0.14 -0.65 -0.00 0.00 0.00 176.95 176.02 3h1c s GLN 234 N 0.59 1.13 0.85 5.86 -0.21 -1.26 -5.13 119.66 121.49 3h1c s GLN 234 Ca -0.04 -0.52 -0.10 0.00 0.02 0.00 0.00 55.36 54.71 3h1c s GLN 234 Cb -0.06 -1.10 0.10 0.00 1.00 0.00 0.00 33.01 32.95 3h1c s GLN 234 CO -0.02 0.30 1.12 -2.14 -2.12 0.00 0.00 175.29 172.42 3h1c s PRO 235 N -0.39 1.59 -0.06 2.91 0.02 -1.26 -4.90 135.00 132.91 3h1c s PRO 235 Ca 0.05 1.34 -0.30 0.00 0.02 0.00 0.00 61.00 62.12 3h1c s PRO 235 Cb -0.06 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 3h1c s PRO 235 CO -0.00 -2.17 2.06 -1.91 -0.33 0.00 0.00 177.00 174.65 3h1c n GLU 236 N -3.90 2.52 -1.65 5.54 0.00 -1.26 -4.88 120.64 117.01 3h1c n GLU 236 Ca 0.10 0.86 -0.41 0.00 0.00 0.00 0.00 57.16 57.71 3h1c n GLU 236 Cb 0.53 -3.07 0.02 0.00 0.00 0.00 0.00 31.44 28.92 3h1c n GLU 236 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3h1c n PRO 237 N 7.93 1.51 -2.14 5.31 -0.04 -1.26 -4.91 135.00 141.40 3h1c n PRO 237 Ca 0.24 0.54 -0.42 0.00 -0.04 0.00 0.00 63.50 63.82 3h1c n PRO 237 Cb 0.41 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 3h1c n PRO 237 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h1c s VAL 238 N -1.27 3.50 -0.31 0.52 0.11 -1.26 -5.00 120.40 116.69 3h1c s VAL 238 Ca 0.64 0.91 0.03 0.00 -2.93 0.00 0.00 61.98 60.64 3h1c s VAL 238 Cb -0.52 -3.59 0.08 0.00 -1.53 0.00 0.00 36.38 30.82 3h1c s VAL 238 CO 0.56 0.00 -0.02 0.21 -3.33 0.00 0.00 175.10 172.52 3h1c s ASN 239 N 1.99 4.64 0.10 3.54 2.47 -1.26 -4.96 114.94 121.45 3h1c s ASN 239 Ca 0.67 -1.81 0.26 0.00 0.42 0.00 0.00 52.86 52.39 3h1c s ASN 239 Cb -0.34 -1.60 1.00 0.00 -1.45 0.00 0.00 41.25 38.86 3h1c s ASN 239 CO 0.28 -0.30 1.80 -0.62 -3.72 0.00 0.00 177.10 174.55 3h1c n GLU 240 N 4.34 0.11 0.13 0.43 1.02 -1.26 -2.44 120.64 122.97 3h1c n GLU 240 Ca -0.04 0.14 -0.02 0.00 -0.02 0.00 0.00 57.16 57.22 3h1c n GLU 240 Cb 0.42 -1.64 0.17 0.00 -0.02 0.00 0.00 31.44 30.37 3h1c n GLU 240 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h1c h ALA 241 N 2.71 0.98 0.00 0.62 0.00 -2.00 -3.09 119.26 118.49 3h1c h ALA 241 Ca 0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 54.91 54.05 3h1c h ALA 241 Cb 0.54 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3h1c h ALA 241 CO 0.00 0.75 -2.16 1.28 0.00 0.00 0.00 179.25 179.13 3h1c n LEU 242 N -3.83 0.89 -0.06 0.00 4.32 -1.21 -4.03 117.00 113.08 3h1c n LEU 242 Ca -0.01 -0.03 -0.01 0.00 -0.02 0.00 0.00 56.01 55.93 3h1c n LEU 242 Cb 0.61 0.07 0.25 0.00 -1.62 0.00 0.00 43.42 42.72 3h1c n LEU 242 CO 0.42 0.54 0.96 0.78 -1.22 0.00 0.00 177.39 178.87 3h1c h ASN 243 N 0.00 0.62 1.45 -1.43 4.21 -1.60 0.59 115.58 119.42 3h1c h ASN 243 Ca -0.46 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 56.94 3h1c h ASN 243 Cb 1.94 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.97 3h1c h ASN 243 CO -0.00 0.65 -0.52 0.00 -1.29 0.00 0.00 177.43 176.26 3h1c h ALA 244 N 1.44 0.73 0.11 -0.83 0.00 -1.78 -3.24 119.26 115.69 3h1c h ALA 244 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 3h1c h ALA 244 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3h1c h ALA 244 CO 0.00 0.00 -1.07 -0.09 0.00 0.00 0.00 179.25 178.09 3h1c h ARG 245 N 0.00 0.23 0.00 0.00 2.43 -1.58 -3.25 114.38 112.21 3h1c h ARG 245 Ca 0.00 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 58.72 3h1c h ARG 245 Cb 0.99 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3h1c h ARG 245 CO 0.00 1.19 -0.29 -0.24 -1.51 0.00 0.00 179.97 179.11 3h1c h VAL 246 N -0.43 0.68 0.00 0.20 3.04 -1.06 -2.79 116.25 115.89 3h1c h VAL 246 Ca -0.22 -1.34 -0.08 0.00 -1.01 0.00 0.00 66.70 64.05 3h1c h VAL 246 Cb 1.63 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 32.77 3h1c h VAL 246 CO 0.07 0.29 -0.37 0.00 -1.01 0.00 0.00 177.57 176.55 3h1c h ALA 247 N 1.71 0.93 0.00 3.17 0.00 -1.69 -1.36 119.26 122.01 3h1c h ALA 247 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3h1c h ALA 247 Cb 0.85 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3h1c h ALA 247 CO 0.04 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3h1c n ALA 248 N -2.26 2.03 0.00 0.00 0.00 -1.05 -2.23 120.51 116.99 3h1c n ALA 248 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3h1c n ALA 248 Cb 0.54 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3h1c n ALA 248 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3h1c n LEU 249 N -1.32 0.00 -0.06 0.00 0.00 -1.12 -4.92 117.00 109.58 3h1c n LEU 249 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.98 3h1c n LEU 249 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.54 3h1c n LEU 249 CO 0.16 0.00 -0.92 0.00 0.00 0.00 0.00 177.39 176.63 3h1c n ALA 250 N -1.48 2.00 -0.34 1.96 0.00 -0.53 -4.65 120.51 117.47 3h1c n ALA 250 Ca 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 53.44 53.06 3h1c n ALA 250 Cb 0.21 0.29 0.33 0.00 0.00 0.00 0.00 19.45 20.28 3h1c n ALA 250 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3h1c h GLU 251 N -0.27 0.75 -0.60 0.00 4.81 -1.62 0.28 114.58 117.93 3h1c h GLU 251 Ca -0.30 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 3h1c h GLU 251 Cb 1.33 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3h1c h GLU 251 CO -0.13 0.50 0.05 0.00 -0.73 0.00 0.00 179.01 178.69 3h1c h ALA 252 N 1.62 0.80 0.03 2.92 0.00 -1.86 -2.32 119.26 120.44 3h1c h ALA 252 Ca 0.55 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 3h1c h ALA 252 Cb 0.84 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3h1c h ALA 252 CO -0.33 0.59 -1.02 0.00 0.00 0.00 0.00 179.25 178.49 3h1c h ARG 253 N 0.92 0.09 0.00 0.00 3.08 -1.35 -3.23 114.38 113.88 3h1c h ARG 253 Ca 0.17 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 3h1c h ARG 253 Cb 0.49 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3h1c h ARG 253 CO 0.02 1.02 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.47 3h1c h LEU 254 N 0.03 0.00 -0.64 3.04 3.38 -0.50 -1.00 115.31 119.62 3h1c h LEU 254 Ca -0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3h1c h LEU 254 Cb 1.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 3h1c h LEU 254 CO 0.14 0.41 -0.50 -1.28 0.09 0.00 0.00 178.44 177.30 3h1c h SER 255 N 0.00 0.50 1.38 -0.43 0.87 -1.45 -2.80 113.55 111.62 3h1c h SER 255 Ca -0.00 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.18 3h1c h SER 255 Cb 0.81 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 3h1c h SER 255 CO 0.05 0.92 -0.62 0.44 -0.53 0.00 0.00 176.83 177.09 3h1c h ASP 256 N 0.36 0.00 -0.19 6.23 3.32 -1.53 -3.32 116.42 121.30 3h1c h ASP 256 Ca 0.02 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 3h1c h ASP 256 Cb 1.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3h1c h ASP 256 CO 0.09 0.61 -0.39 0.00 -1.72 0.00 0.00 179.24 177.83 3h1c h ALA 257 N 1.39 0.73 -0.77 3.45 0.00 -1.09 -3.27 119.26 119.70 3h1c h ALA 257 Ca -0.01 -0.45 -0.68 0.00 0.00 0.00 0.00 54.91 53.77 3h1c h ALA 257 Cb 1.47 -0.12 -0.19 0.00 0.00 0.00 0.00 17.79 18.96 3h1c h ALA 257 CO 0.08 0.66 1.33 0.66 0.00 0.00 0.00 179.25 181.98 3h1c n TYR 258 N -4.04 2.37 0.00 0.00 4.01 -1.07 -4.03 117.16 114.40 3h1c n TYR 258 Ca -0.02 -2.42 0.00 0.00 -0.16 0.00 0.00 57.90 55.30 3h1c n TYR 258 Cb 0.53 -1.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.08 3h1c n TYR 258 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3h1c n ARG 259 N 0.79 0.44 -2.38 -0.72 0.63 -1.23 -4.67 116.66 109.52 3h1c n ARG 259 Ca 0.54 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 57.09 3h1c n ARG 259 Cb 0.34 -0.61 -0.03 0.00 0.45 0.00 0.00 32.46 32.61 3h1c n ARG 259 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3h1c s ILE 260 N -1.23 3.34 -0.11 5.15 -4.36 -1.26 -4.78 121.20 117.96 3h1c s ILE 260 Ca 0.00 1.12 -0.27 0.00 -0.26 0.00 0.00 60.65 61.24 3h1c s ILE 260 Cb 0.00 -3.62 -0.26 0.00 1.25 0.00 0.00 42.46 39.83 3h1c s ILE 260 CO 0.00 0.10 0.86 0.74 0.24 0.00 0.00 174.94 176.88 3h1c h THR 261 N 2.37 1.70 -3.09 8.37 2.02 -1.91 -3.45 112.91 118.91 3h1c h THR 261 Ca -0.48 -2.22 -0.53 0.00 0.77 0.00 0.00 66.41 63.95 3h1c h THR 261 Cb 1.23 3.19 0.07 0.00 -1.74 0.00 0.00 68.15 70.90 3h1c h THR 261 CO 0.63 0.59 0.93 -0.62 0.37 0.00 0.00 175.52 177.41 3h1c s ASP 262 N -6.29 6.38 0.12 4.18 2.15 -1.26 -4.85 116.67 117.11 3h1c s ASP 262 Ca -0.18 2.91 -0.13 0.00 0.43 0.00 0.00 52.55 55.58 3h1c s ASP 262 Cb -0.02 -2.62 -0.07 0.00 -0.30 0.00 0.00 42.92 39.91 3h1c s ASP 262 CO 0.71 -0.93 1.44 0.50 -0.17 0.00 0.00 175.17 176.72 3h1c h LYS 263 N 5.56 0.82 -0.19 4.34 3.64 -1.99 -1.91 116.57 126.84 3h1c h LYS 263 Ca -0.46 -0.44 -0.06 0.00 -1.27 0.00 0.00 60.65 58.42 3h1c h LYS 263 Cb 1.21 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 3h1c h LYS 263 CO 0.85 1.08 -0.16 1.96 -2.27 0.00 0.00 179.45 180.91 3h1c h GLN 264 N 0.60 0.31 0.01 1.90 4.20 -2.00 -1.45 115.11 118.68 3h1c h GLN 264 Ca 0.05 -0.09 -0.23 0.00 0.06 0.00 0.00 58.65 58.44 3h1c h GLN 264 Cb 0.94 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 3h1c h GLN 264 CO 0.09 0.48 -1.16 0.93 -0.67 0.00 0.00 178.83 178.50 3h1c h GLU 265 N 0.29 0.03 0.03 1.46 5.08 -1.95 -3.25 114.58 116.28 3h1c h GLU 265 Ca 0.05 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3h1c h GLU 265 Cb 0.46 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.74 3h1c h GLU 265 CO 0.03 0.94 -0.23 -0.09 -1.00 0.00 0.00 179.01 178.66 3h1c h ARG 266 N 0.01 0.10 -0.06 2.33 2.43 -1.13 -2.84 114.38 115.21 3h1c h ARG 266 Ca -0.07 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 58.86 3h1c h ARG 266 Cb 1.84 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.43 3h1c h ARG 266 CO 0.13 1.03 -0.35 1.88 -1.51 0.00 0.00 179.97 181.16 3h1c h TYR 267 N -0.76 0.13 -0.04 2.20 0.05 -1.45 0.55 116.97 117.65 3h1c h TYR 267 Ca -0.04 -0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.50 3h1c h TYR 267 Cb 1.14 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3h1c h TYR 267 CO 0.24 0.45 -0.85 0.00 -1.05 0.00 0.00 178.16 176.95 3h1c h ALA 268 N 1.55 0.43 -0.03 3.88 0.00 -1.69 -3.09 119.26 120.32 3h1c h ALA 268 Ca 0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 3h1c h ALA 268 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3h1c h ALA 268 CO 0.05 0.78 -0.10 0.37 0.00 0.00 0.00 179.25 180.35 3h1c h GLN 269 N 0.28 0.12 0.00 0.00 5.75 -1.23 -3.13 115.11 116.89 3h1c h GLN 269 Ca -0.06 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 3h1c h GLN 269 Cb 1.47 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 30.03 3h1c h GLN 269 CO 0.15 0.73 -0.03 -0.24 -2.65 0.00 0.00 178.83 176.79 3h1c h VAL 270 N -0.47 0.30 0.01 2.39 3.04 -1.01 -0.36 116.25 120.15 3h1c h VAL 270 Ca -0.00 -0.18 -0.20 0.00 -1.01 0.00 0.00 66.70 65.30 3h1c h VAL 270 Cb 0.74 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.14 3h1c h VAL 270 CO 0.02 0.03 -0.89 -0.78 -1.01 0.00 0.00 177.57 174.94 3h1c h ASP 271 N 0.00 0.24 -0.40 3.17 3.58 -1.57 -2.85 116.42 118.59 3h1c h ASP 271 Ca -0.00 -0.20 -0.09 0.00 0.42 0.00 0.00 57.03 57.16 3h1c h ASP 271 Cb 0.13 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 3h1c h ASP 271 CO 0.00 1.01 -0.10 0.58 -2.88 0.00 0.00 179.24 177.86 3h1c h VAL 272 N 0.10 1.27 -0.24 2.25 2.07 -1.01 -0.76 116.25 119.93 3h1c h VAL 272 Ca -0.04 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3h1c h VAL 272 Cb 1.52 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 3h1c h VAL 272 CO 0.13 0.40 0.14 0.40 0.02 0.00 0.00 177.57 178.66 3h1c h ILE 273 N 0.59 1.11 -0.35 4.57 5.03 -1.54 -2.04 117.51 124.88 3h1c h ILE 273 Ca 0.10 -0.29 -0.03 0.00 -0.12 0.00 0.00 64.86 64.52 3h1c h ILE 273 Cb 0.62 0.86 -0.01 0.00 -3.03 0.00 0.00 36.82 35.25 3h1c h ILE 273 CO 0.04 0.11 0.09 0.11 -0.68 0.00 0.00 178.15 177.82 3h1c h LYS 274 N 0.29 0.56 -0.29 2.37 1.57 -1.44 -2.40 116.57 117.23 3h1c h LYS 274 Ca 0.09 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 3h1c h LYS 274 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3h1c h LYS 274 CO -0.01 0.60 -0.42 0.77 -0.57 0.00 0.00 179.45 179.82 3h1c h SER 275 N 0.41 0.76 0.30 0.86 0.02 -1.14 -2.88 113.55 111.89 3h1c h SER 275 Ca 0.11 -0.35 -0.20 0.00 -0.84 0.00 0.00 61.79 60.51 3h1c h SER 275 Cb 0.29 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3h1c h SER 275 CO 0.00 1.08 -0.81 -0.08 -1.14 0.00 0.00 176.83 175.89 3h1c h GLU 276 N 0.58 0.39 -0.41 3.45 4.81 -1.38 -2.15 114.58 119.87 3h1c h GLU 276 Ca 0.04 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 58.86 3h1c h GLU 276 Cb 0.97 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3h1c h GLU 276 CO 0.09 1.01 0.03 1.15 -0.73 0.00 0.00 179.01 180.56 3h1c h THR 277 N 0.25 1.25 -0.55 0.32 2.02 -1.44 -1.49 112.91 113.28 3h1c h THR 277 Ca -0.05 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.09 3h1c h THR 277 Cb 1.40 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 3h1c h THR 277 CO 0.14 0.33 0.02 0.40 0.37 0.00 0.00 175.52 176.78 3h1c h ILE 278 N 0.54 1.26 -0.32 3.11 2.04 -1.53 -1.82 117.51 120.79 3h1c h ILE 278 Ca 0.12 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 3h1c h ILE 278 Cb 0.44 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3h1c h ILE 278 CO 0.02 0.39 -0.04 0.00 0.00 0.00 0.00 178.15 178.51 3h1c h ALA 279 N 0.96 1.34 -0.10 1.87 0.00 -1.28 0.47 119.26 122.52 3h1c h ALA 279 Ca 0.16 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3h1c h ALA 279 Cb 0.51 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h1c h ALA 279 CO 0.02 0.45 -0.82 1.15 0.00 0.00 0.00 179.25 180.06 3h1c h THR 280 N 0.48 1.32 0.00 0.00 2.02 -1.16 -2.62 112.91 112.95 3h1c h THR 280 Ca 0.10 -2.10 -0.13 0.00 0.77 0.00 0.00 66.41 65.05 3h1c h THR 280 Cb 0.37 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 3h1c h THR 280 CO 0.02 0.65 -0.61 -0.07 0.37 0.00 0.00 175.52 175.88 3h1c h LEU 281 N 0.42 0.00 -0.61 2.58 3.38 -1.01 -2.32 115.31 117.75 3h1c h LEU 281 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3h1c h LEU 281 Cb 1.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 3h1c h LEU 281 CO 0.16 0.61 -0.53 -0.07 0.09 0.00 0.00 178.44 178.70 3h1c h LEU 282 N 0.00 0.00 -0.68 1.67 3.38 -0.94 -2.82 115.31 115.92 3h1c h LEU 282 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3h1c h LEU 282 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3h1c h LEU 282 CO 0.08 0.53 -0.42 0.00 0.09 0.00 0.00 178.44 178.72 3h1c h ALA 283 N 1.47 0.89 0.37 1.53 0.00 -1.22 -3.30 119.26 119.00 3h1c h ALA 283 Ca -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3h1c h ALA 283 Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3h1c h ALA 283 CO 0.07 0.52 -0.18 0.93 0.00 0.00 0.00 179.25 180.60 3h1c h GLU 284 N 0.00 -0.48 -2.58 0.00 4.39 -1.27 -3.47 114.58 111.17 3h1c h GLU 284 Ca -0.00 0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 3h1c h GLU 284 Cb 1.04 0.11 -0.24 0.00 -0.10 0.00 0.00 28.75 29.56 3h1c h GLU 284 CO 0.05 -0.18 -0.17 0.16 -1.16 0.00 0.00 179.01 177.71 3h1c s ASP 285 N -5.03 -0.51 -0.05 1.42 -4.77 -1.08 -5.05 116.67 101.60 3h1c s ASP 285 Ca -0.11 0.96 0.11 0.00 -3.30 0.00 0.00 52.55 50.21 3h1c s ASP 285 Cb 0.01 0.95 0.40 0.00 -1.09 0.00 0.00 42.92 43.20 3h1c s ASP 285 CO 0.39 -0.17 1.27 -1.84 0.70 0.00 0.00 175.17 175.52 3h1c n GLU 286 N 3.05 2.40 0.01 2.11 0.28 -1.25 -3.88 120.64 123.36 3h1c n GLU 286 Ca -0.15 -1.59 0.12 0.00 -0.16 0.00 0.00 57.16 55.38 3h1c n GLU 286 Cb 0.57 -1.54 0.22 0.00 1.43 0.00 0.00 31.44 32.12 3h1c n GLU 286 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3h1c n THR 287 N 0.59 0.08 -1.62 3.84 -2.24 -1.26 -4.94 114.28 108.72 3h1c n THR 287 Ca 0.14 -0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.54 3h1c n THR 287 Cb 0.50 0.17 0.05 0.00 -2.10 0.00 0.00 70.33 68.96 3h1c n THR 287 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h1c s LEU 288 N -3.29 3.23 0.01 3.22 1.43 -1.25 -5.04 118.68 116.98 3h1c s LEU 288 Ca 0.10 1.79 -0.16 0.00 -1.03 0.00 0.00 54.13 54.83 3h1c s LEU 288 Cb 0.17 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 3h1c s LEU 288 CO 0.71 -1.59 0.45 -0.62 0.23 0.00 0.00 176.35 175.52 3h1c s ASP 289 N -3.23 6.87 0.05 2.29 2.15 -1.26 -5.01 116.67 118.52 3h1c s ASP 289 Ca 0.62 1.03 -0.18 0.00 0.43 0.00 0.00 52.55 54.45 3h1c s ASP 289 Cb -0.17 -2.28 -0.16 0.00 -0.30 0.00 0.00 42.92 40.02 3h1c s ASP 289 CO 0.49 0.31 1.28 -0.08 -0.17 0.00 0.00 175.17 177.00 3h1c h GLU 290 N 4.71 0.52 -0.01 4.34 4.57 -2.00 -3.13 114.58 123.58 3h1c h GLU 290 Ca -0.51 -0.37 -0.14 0.00 -1.18 0.00 0.00 59.36 57.16 3h1c h GLU 290 Cb 1.22 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 3h1c h GLU 290 CO 0.62 0.98 -0.65 -0.91 -1.18 0.00 0.00 179.01 177.88 3h1c h ASN 291 N 0.15 0.05 -0.28 1.04 2.35 -1.99 -3.05 115.58 113.84 3h1c h ASN 291 Ca -0.01 -0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.54 3h1c h ASN 291 Cb 1.01 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.36 3h1c h ASN 291 CO 0.08 0.68 -0.48 -0.08 -1.65 0.00 0.00 177.43 175.99 3h1c h GLU 292 N 0.03 0.82 -0.31 0.81 4.81 -1.99 -2.50 114.58 116.25 3h1c h GLU 292 Ca -0.01 -0.51 -0.15 0.00 -0.13 0.00 0.00 59.36 58.57 3h1c h GLU 292 Cb 1.15 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3h1c h GLU 292 CO 0.09 1.14 -0.39 -0.07 -0.73 0.00 0.00 179.01 179.05 3h1c h LEU 293 N 0.59 0.79 -1.01 1.64 3.38 -1.59 -3.03 115.31 116.07 3h1c h LEU 293 Ca 0.02 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3h1c h LEU 293 Cb 1.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3h1c h LEU 293 CO 0.11 1.09 -0.09 1.23 0.09 0.00 0.00 178.44 180.86 3h1c h GLY 294 N 0.93 0.00 1.47 0.83 0.00 -1.56 -2.94 103.07 101.81 3h1c h GLY 294 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.18 3h1c h GLY 294 CO 0.09 0.00 -0.80 -2.09 0.00 0.00 0.00 176.54 173.74 3h1c h GLU 295 N 0.00 0.51 -0.10 4.80 4.81 -1.32 -2.76 114.58 120.52 3h1c h GLU 295 Ca -0.00 -0.44 -0.20 0.00 -0.13 0.00 0.00 59.36 58.58 3h1c h GLU 295 Cb 0.72 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3h1c h GLU 295 CO 0.01 1.08 -0.77 0.82 -0.73 0.00 0.00 179.01 179.41 3h1c h ILE 296 N 0.33 1.34 -0.69 2.32 2.04 -1.50 -1.99 117.51 119.36 3h1c h ILE 296 Ca -0.05 -2.10 -0.00 0.00 1.00 0.00 0.00 64.86 63.71 3h1c h ILE 296 Cb 1.40 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 39.54 3h1c h ILE 296 CO 0.14 0.64 0.42 -0.07 0.00 0.00 0.00 178.15 179.29 3h1c h LEU 297 N 0.38 0.82 -0.54 1.44 3.38 -1.54 0.17 115.31 119.41 3h1c h LEU 297 Ca -0.05 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 3h1c h LEU 297 Cb 1.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3h1c h LEU 297 CO 0.14 0.62 -0.73 -0.74 0.09 0.00 0.00 178.44 177.83 3h1c h HIS 298 N 0.94 0.01 -0.02 1.13 2.76 -1.44 -2.91 115.15 115.62 3h1c h HIS 298 Ca 0.25 -0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.22 3h1c h HIS 298 Cb -0.05 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 3h1c h HIS 298 CO 0.00 0.73 -0.84 0.00 -1.30 0.00 0.00 177.93 176.53 3h1c h ALA 299 N 1.26 0.54 -0.05 5.26 0.00 -0.50 -2.81 119.26 122.97 3h1c h ALA 299 Ca -0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 3h1c h ALA 299 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3h1c h ALA 299 CO 0.10 0.86 -0.17 0.82 0.00 0.00 0.00 179.25 180.85 3h1c h ILE 300 N 0.16 1.45 0.00 0.00 2.04 -0.75 -2.74 117.51 117.67 3h1c h ILE 300 Ca -0.04 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.21 3h1c h ILE 300 Cb 1.44 2.36 -0.00 0.00 -0.74 0.00 0.00 36.82 39.88 3h1c h ILE 300 CO 0.13 0.44 -0.07 1.05 0.00 0.00 0.00 178.15 179.70 3h1c h GLU 301 N -0.33 0.00 -0.22 2.37 4.11 -1.61 -0.98 114.58 117.93 3h1c h GLU 301 Ca -0.01 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.23 3h1c h GLU 301 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3h1c h GLU 301 CO 0.04 0.07 -0.62 -0.22 0.07 0.00 0.00 179.01 178.35 3h1c h LYS 302 N 0.00 0.76 -0.02 1.06 3.64 -1.48 -3.11 116.57 117.41 3h1c h LYS 302 Ca -0.00 -0.53 -0.12 0.00 -1.27 0.00 0.00 60.65 58.74 3h1c h LYS 302 Cb 0.30 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3h1c h LYS 302 CO 0.01 1.15 -0.54 -0.97 -2.27 0.00 0.00 179.45 176.83 3h1c h ASN 303 N 0.56 0.07 -0.15 4.20 -1.24 -0.89 -2.51 115.58 115.62 3h1c h ASN 303 Ca -0.01 -0.04 -0.06 0.00 0.71 0.00 0.00 56.30 56.90 3h1c h ASN 303 Cb 1.22 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 40.25 3h1c h ASN 303 CO 0.13 0.60 -0.15 0.58 -1.29 0.00 0.00 177.43 177.30 3h1c h VAL 304 N 0.05 1.34 -0.19 2.57 2.07 -1.38 -2.45 116.25 118.26 3h1c h VAL 304 Ca -0.00 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 3h1c h VAL 304 Cb 0.97 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3h1c h VAL 304 CO 0.07 0.39 -0.08 0.58 0.02 0.00 0.00 177.57 178.55 3h1c h VAL 305 N -0.00 1.30 -0.60 2.57 2.07 -1.57 -2.87 116.25 117.16 3h1c h VAL 305 Ca 0.02 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 3h1c h VAL 305 Cb 0.68 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3h1c h VAL 305 CO 0.04 0.34 0.16 0.03 0.02 0.00 0.00 177.57 178.15 3h1c h ARG 306 N 0.09 0.92 -0.15 1.57 3.08 -1.53 -2.67 114.38 115.69 3h1c h ARG 306 Ca 0.04 -0.19 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 3h1c h ARG 306 Cb 0.56 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3h1c h ARG 306 CO 0.03 0.81 -0.57 0.66 -1.07 0.00 0.00 179.97 179.83 3h1c h SER 307 N 0.88 0.54 0.09 7.04 4.64 -1.47 -2.60 113.55 122.67 3h1c h SER 307 Ca 0.19 -0.30 -0.13 0.00 -0.47 0.00 0.00 61.79 61.08 3h1c h SER 307 Cb 0.30 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3h1c h SER 307 CO -0.00 1.00 -0.46 0.03 -0.87 0.00 0.00 176.83 176.53 3h1c h ARG 308 N 0.37 0.44 -0.19 4.77 3.08 -1.37 -2.27 114.38 119.21 3h1c h ARG 308 Ca 0.00 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.67 3h1c h ARG 308 Cb 1.11 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3h1c h ARG 308 CO 0.10 0.81 -0.45 0.28 -1.07 0.00 0.00 179.97 179.65 3h1c h VAL 309 N 0.36 1.33 -0.07 2.04 2.07 -1.46 -1.92 116.25 118.59 3h1c h VAL 309 Ca 0.02 -1.69 -0.11 0.00 0.82 0.00 0.00 66.70 65.75 3h1c h VAL 309 Cb 0.94 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3h1c h VAL 309 CO 0.08 0.52 -0.46 -0.07 0.02 0.00 0.00 177.57 177.66 3h1c h LEU 310 N 0.31 0.18 -0.74 2.57 3.38 -1.46 -3.12 115.31 116.43 3h1c h LEU 310 Ca -0.00 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3h1c h LEU 310 Cb 1.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3h1c h LEU 310 CO 0.10 0.62 -0.43 0.00 0.09 0.00 0.00 178.44 178.82 3h1c h ALA 311 N 1.39 0.92 0.00 1.53 0.00 -1.46 -3.47 119.26 118.16 3h1c h ALA 311 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3h1c h ALA 311 Cb 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3h1c h ALA 311 CO 0.07 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.26 3h1c n GLY 312 N 0.44 0.75 3.77 0.00 0.00 -1.18 -5.10 105.19 103.86 3h1c n GLY 312 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3h1c n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1c s GLU 313 N -0.49 4.41 0.60 1.61 2.02 -0.73 -5.00 118.70 121.12 3h1c s GLU 313 Ca 0.00 1.77 -0.19 0.00 0.02 0.00 0.00 54.97 56.57 3h1c s GLU 313 Cb 0.00 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 3h1c s GLU 313 CO 0.00 0.01 1.15 -2.30 0.02 0.00 0.00 175.26 174.14 3h1c n PRO 314 N 0.67 1.12 0.00 0.39 -0.02 -1.26 -4.33 135.00 131.57 3h1c n PRO 314 Ca 0.01 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3h1c n PRO 314 Cb 0.46 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3h1c n PRO 314 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3h1c n ARG 315 N -1.30 0.04 0.28 -0.52 1.74 -1.08 -4.83 116.66 110.99 3h1c n ARG 315 Ca 0.14 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.39 3h1c n ARG 315 Cb 0.47 0.00 0.77 0.00 -1.02 0.00 0.00 32.46 32.67 3h1c n ARG 315 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3h1c h ILE 316 N -0.88 0.15 0.00 0.55 3.07 -1.88 -2.27 117.51 116.24 3h1c h ILE 316 Ca 0.00 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 65.92 3h1c h ILE 316 Cb 0.00 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 37.97 3h1c h ILE 316 CO 0.00 0.05 -0.27 0.47 -1.05 0.00 0.00 178.15 177.34 3h1c n ASP 317 N -3.21 0.63 -1.78 2.16 8.00 -1.26 -3.65 116.55 117.44 3h1c n ASP 317 Ca -0.01 0.32 -0.05 0.00 0.71 0.00 0.00 54.79 55.77 3h1c n ASP 317 Cb 0.27 -0.31 0.03 0.00 -0.02 0.00 0.00 41.12 41.08 3h1c n ASP 317 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1c n GLY 318 N 1.37 0.22 2.96 0.44 0.00 -0.85 -4.90 105.19 104.42 3h1c n GLY 318 Ca 0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3h1c n GLY 318 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h1c s ARG 319 N -4.21 0.24 0.95 1.61 3.52 -1.26 -4.93 118.95 114.88 3h1c s ARG 319 Ca 0.03 -0.48 -0.14 0.00 -0.13 0.00 0.00 55.73 55.01 3h1c s ARG 319 Cb -0.00 0.08 0.17 0.00 -1.56 0.00 0.00 34.95 33.63 3h1c s ARG 319 CO 0.22 -0.04 1.19 -1.21 -0.81 0.00 0.00 175.30 174.65 3h1c s GLU 320 N -1.14 0.79 0.38 5.12 0.41 -1.26 -2.65 118.70 120.35 3h1c s GLU 320 Ca -0.12 0.03 0.15 0.00 -0.41 0.00 0.00 54.97 54.62 3h1c s GLU 320 Cb -0.08 -1.82 0.76 0.00 -1.78 0.00 0.00 34.13 31.22 3h1c s GLU 320 CO -0.01 -2.39 1.82 1.57 -0.49 0.00 0.00 175.26 175.76 3h1c h LYS 321 N -1.63 0.00 0.00 1.61 2.10 -1.96 -3.23 116.57 113.47 3h1c h LYS 321 Ca -0.47 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.11 3h1c h LYS 321 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 3h1c h LYS 321 CO 0.52 0.37 -1.75 -0.40 -2.00 0.00 0.00 179.45 176.19 3h1c n ASP 322 N -3.90 1.63 -4.73 7.07 5.68 -1.26 -1.76 116.55 119.29 3h1c n ASP 322 Ca -0.01 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.85 3h1c n ASP 322 Cb 0.43 1.43 -0.03 0.00 -1.14 0.00 0.00 41.12 41.82 3h1c n ASP 322 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 3h1c n MET 323 N -2.15 2.75 -4.44 0.11 1.56 -1.22 -4.75 117.12 108.98 3h1c n MET 323 Ca -0.08 0.99 -0.33 0.00 -0.27 0.00 0.00 57.70 58.01 3h1c n MET 323 Cb 0.54 -2.82 -0.10 0.00 2.15 0.00 0.00 33.22 33.00 3h1c n MET 323 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 3h1c s ILE 324 N 0.83 3.85 0.96 1.12 -4.36 -1.26 -4.65 121.20 117.69 3h1c s ILE 324 Ca 0.72 -0.63 -0.11 0.00 -0.26 0.00 0.00 60.65 60.37 3h1c s ILE 324 Cb -0.50 -2.66 0.13 0.00 1.25 0.00 0.00 42.46 40.67 3h1c s ILE 324 CO 0.37 0.45 0.87 0.54 0.24 0.00 0.00 174.94 177.41 3h1c n ARG 325 N 1.70 -0.66 -1.81 0.37 1.74 -1.26 -4.97 116.66 111.76 3h1c n ARG 325 Ca -0.16 -0.14 -0.35 0.00 -0.77 0.00 0.00 57.85 56.43 3h1c n ARG 325 Cb 0.53 -2.18 0.05 0.00 -1.02 0.00 0.00 32.46 29.84 3h1c n ARG 325 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3h1c s GLY 326 N -2.40 2.62 0.02 -0.13 0.00 -1.26 -4.69 107.32 101.47 3h1c s GLY 326 Ca 0.64 0.97 0.07 0.00 0.00 0.00 0.00 44.72 46.40 3h1c s GLY 326 CO 0.62 1.37 -0.21 1.08 0.00 0.00 0.00 173.10 175.95 3h1c s LEU 327 N -4.44 2.11 -0.16 0.66 1.43 -1.26 -0.36 118.68 116.66 3h1c s LEU 327 Ca 0.77 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 3h1c s LEU 327 Cb -0.30 -1.05 0.05 0.00 0.03 0.00 0.00 46.19 44.91 3h1c s LEU 327 CO 0.38 0.21 0.01 -0.62 0.23 0.00 0.00 176.35 176.56 3h1c s ASP 328 N -0.90 2.63 -0.22 2.29 2.15 -0.10 -5.02 116.67 117.50 3h1c s ASP 328 Ca 0.08 -0.65 -0.04 0.00 0.43 0.00 0.00 52.55 52.37 3h1c s ASP 328 Cb -0.09 -0.62 -0.01 0.00 -0.30 0.00 0.00 42.92 41.90 3h1c s ASP 328 CO 0.01 -0.26 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.03 3h1c s VAL 329 N 1.84 3.46 -0.03 1.11 1.01 -1.26 -1.58 120.40 124.95 3h1c s VAL 329 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3h1c s VAL 329 Cb -0.16 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3h1c s VAL 329 CO -0.07 0.41 -0.07 -0.13 0.00 0.00 0.00 175.10 175.24 3h1c s ARG 330 N 1.49 0.82 -0.01 2.72 0.52 -0.38 -4.97 118.95 119.13 3h1c s ARG 330 Ca 0.06 -0.22 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 3h1c s ARG 330 Cb -0.14 -0.79 0.01 0.00 0.52 0.00 0.00 34.95 34.54 3h1c s ARG 330 CO -0.03 0.05 -0.03 0.99 0.02 0.00 0.00 175.30 176.30 3h1c s THR 331 N 0.37 0.32 0.00 0.02 2.01 -1.26 -0.23 115.64 116.88 3h1c s THR 331 Ca -0.05 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.83 3h1c s THR 331 Cb -0.09 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.10 3h1c s THR 331 CO 0.00 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 3h1c n GLY 332 N 3.32 1.14 0.07 4.40 0.00 -1.14 -5.03 105.19 107.95 3h1c n GLY 332 Ca -0.17 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 3h1c n GLY 332 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h1c h VAL 333 N 0.00 1.37 -3.19 1.61 2.07 -1.88 -3.45 116.25 112.79 3h1c h VAL 333 Ca 0.00 -2.02 -0.53 0.00 0.82 0.00 0.00 66.70 64.97 3h1c h VAL 333 Cb 0.39 2.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3h1c h VAL 333 CO 0.00 0.46 0.61 -0.76 0.02 0.00 0.00 177.57 177.91 3h1c s LEU 334 N -8.31 4.38 0.00 2.57 1.43 -1.26 -4.97 118.68 112.53 3h1c s LEU 334 Ca -0.15 2.16 0.12 0.00 -1.03 0.00 0.00 54.13 55.24 3h1c s LEU 334 Cb -0.02 -3.59 0.36 0.00 0.03 0.00 0.00 46.19 42.97 3h1c s LEU 334 CO 0.53 -0.51 1.30 -0.81 0.23 0.00 0.00 176.35 177.08 3h1c n PRO 335 N 3.65 1.91 0.00 1.29 -0.04 -1.26 -4.36 135.00 136.19 3h1c n PRO 335 Ca 0.09 -1.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 3h1c n PRO 335 Cb 0.45 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 3h1c n PRO 335 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h1c n ARG 336 N 0.65 0.00 -3.38 0.54 5.12 -1.26 -5.11 116.66 113.22 3h1c n ARG 336 Ca 0.13 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.70 3h1c n ARG 336 Cb 0.33 -0.21 -0.06 0.00 -1.16 0.00 0.00 32.46 31.37 3h1c n ARG 336 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3h1c s THR 337 N 0.00 4.88 0.34 0.55 -1.32 -1.26 -4.98 115.64 113.85 3h1c s THR 337 Ca 0.00 0.79 0.08 0.00 -1.21 0.00 0.00 61.69 61.35 3h1c s THR 337 Cb 0.00 -3.73 0.32 0.00 -1.51 0.00 0.00 72.50 67.58 3h1c s THR 337 CO 0.00 0.25 1.86 0.45 -2.21 0.00 0.00 174.62 174.97 3h1c h HIS 338 N 3.59 0.89 -3.18 9.09 3.86 -1.95 -3.41 115.15 124.02 3h1c h HIS 338 Ca -0.49 0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 58.55 3h1c h HIS 338 Cb 1.19 -0.28 -0.29 0.00 1.06 0.00 0.00 27.41 29.10 3h1c h HIS 338 CO 0.65 0.32 -0.52 0.20 0.86 0.00 0.00 177.93 179.45 3h1c s GLY 339 N -3.64 -0.11 -0.01 2.45 0.00 0.57 -2.93 107.32 103.65 3h1c s GLY 339 Ca -0.10 0.73 0.01 0.00 0.00 0.00 0.00 44.72 45.36 3h1c s GLY 339 CO 0.79 0.87 -0.01 -1.35 0.00 0.00 0.00 173.10 173.40 3h1c s SER 340 N 0.77 0.26 -0.11 1.64 1.04 -1.26 -1.69 113.70 114.35 3h1c s SER 340 Ca -0.05 -0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 3h1c s SER 340 Cb -0.07 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.01 3h1c s SER 340 CO -0.04 -0.01 0.28 0.00 0.98 0.00 0.00 173.24 174.45 3h1c s ALA 341 N 0.26 -0.69 -0.23 5.32 0.00 -0.48 -2.88 121.76 123.05 3h1c s ALA 341 Ca -0.02 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.77 3h1c s ALA 341 Cb -0.04 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.65 3h1c s ALA 341 CO -0.01 -0.14 -0.08 -1.17 0.00 0.00 0.00 175.76 174.37 3h1c s LEU 342 N 0.25 2.71 -0.08 0.00 2.96 0.69 -1.55 118.68 123.65 3h1c s LEU 342 Ca -0.01 -1.17 0.03 0.00 -0.22 0.00 0.00 54.13 52.77 3h1c s LEU 342 Cb -0.03 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 3h1c s LEU 342 CO -0.00 -0.21 -0.18 0.12 -1.32 0.00 0.00 176.35 174.76 3h1c s PHE 343 N 1.33 2.64 -0.03 5.38 5.36 -1.05 -1.25 117.98 130.36 3h1c s PHE 343 Ca -0.06 -0.57 0.01 0.00 -0.96 0.00 0.00 56.93 55.36 3h1c s PHE 343 Cb -0.19 -1.70 0.02 0.00 -0.34 0.00 0.00 43.02 40.82 3h1c s PHE 343 CO -0.06 -0.12 -0.03 0.99 -1.46 0.00 0.00 175.22 174.53 3h1c s THR 344 N -0.11 0.41 -0.27 0.12 2.01 -0.61 -1.28 115.64 115.89 3h1c s THR 344 Ca -0.03 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 3h1c s THR 344 Cb -0.14 -0.44 0.08 0.00 0.01 0.00 0.00 72.50 72.02 3h1c s THR 344 CO 0.04 0.18 0.06 -0.60 -0.69 0.00 0.00 174.62 173.61 3h1c s ARG 345 N 0.75 0.89 1.67 4.92 3.52 -0.23 -0.92 118.95 129.56 3h1c s ARG 345 Ca -0.09 -0.96 0.00 0.00 -0.13 0.00 0.00 55.73 54.55 3h1c s ARG 345 Cb -0.12 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 3h1c s ARG 345 CO -0.00 -0.85 0.00 0.41 -0.81 0.00 0.00 175.30 174.05 3h1c n GLY 346 N 4.83 1.55 0.55 8.12 0.00 0.51 -2.35 105.19 118.39 3h1c n GLY 346 Ca -0.05 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3h1c n GLY 346 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h1c n GLU 347 N 0.00 0.00 -5.00 1.61 -0.00 -1.26 -4.92 120.64 111.07 3h1c n GLU 347 Ca 0.00 -1.02 -0.32 0.00 -0.00 0.00 0.00 57.16 55.81 3h1c n GLU 347 Cb 0.00 -0.46 -0.14 0.00 -0.00 0.00 0.00 31.44 30.83 3h1c n GLU 347 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 3h1c s THR 348 N 0.00 2.76 -0.01 3.84 -1.32 -0.99 -4.42 115.64 115.51 3h1c s THR 348 Ca 0.02 -0.83 0.01 0.00 -1.21 0.00 0.00 61.69 59.68 3h1c s THR 348 Cb 0.02 -2.06 -0.00 0.00 -1.51 0.00 0.00 72.50 68.94 3h1c s THR 348 CO -0.01 0.58 -0.05 -1.58 -2.21 0.00 0.00 174.62 171.35 3h1c s GLN 349 N -0.51 0.44 -0.10 7.08 0.74 0.11 -1.06 119.66 126.35 3h1c s GLN 349 Ca 0.07 -0.17 -0.02 0.00 0.05 0.00 0.00 55.36 55.29 3h1c s GLN 349 Cb -0.11 -0.43 0.04 0.00 1.10 0.00 0.00 33.01 33.60 3h1c s GLN 349 CO 0.01 0.09 0.02 0.00 -0.55 0.00 0.00 175.29 174.86 3h1c s ALA 350 N -0.00 0.71 -0.49 1.58 0.00 -0.41 -2.47 121.76 120.68 3h1c s ALA 350 Ca 0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 51.96 51.51 3h1c s ALA 350 Cb -0.03 -0.84 0.04 0.00 0.00 0.00 0.00 23.12 22.28 3h1c s ALA 350 CO -0.00 -0.65 0.78 -1.17 0.00 0.00 0.00 175.76 174.71 3h1c s LEU 351 N 1.98 4.39 -0.15 0.00 2.96 0.18 -2.52 118.68 125.53 3h1c s LEU 351 Ca 0.04 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3h1c s LEU 351 Cb -0.13 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 3h1c s LEU 351 CO -0.06 -0.99 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.26 3h1c s VAL 352 N 3.29 4.01 0.20 1.68 1.01 -0.59 -0.11 120.40 129.88 3h1c s VAL 352 Ca 0.26 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.01 3h1c s VAL 352 Cb -0.14 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3h1c s VAL 352 CO 0.19 0.50 -0.11 0.42 0.00 0.00 0.00 175.10 176.10 3h1c s THR 353 N 0.21 3.09 -0.03 3.92 -4.23 0.45 -1.38 115.64 117.66 3h1c s THR 353 Ca -0.01 -1.76 -0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3h1c s THR 353 Cb -0.14 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.19 3h1c s THR 353 CO 0.03 -0.15 0.02 0.00 -0.54 0.00 0.00 174.62 173.98 3h1c s ALA 354 N -1.80 0.18 0.03 3.99 0.00 -0.68 -1.88 121.76 121.60 3h1c s ALA 354 Ca 0.25 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.52 3h1c s ALA 354 Cb -0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3h1c s ALA 354 CO 0.15 -0.13 -0.19 0.95 0.00 0.00 0.00 175.76 176.54 3h1c s THR 355 N 1.15 1.50 0.01 0.00 -4.23 -0.09 -0.31 115.64 113.67 3h1c s THR 355 Ca -0.08 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 3h1c s THR 355 Cb -0.13 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.37 3h1c s THR 355 CO -0.03 0.20 0.13 -0.76 -0.54 0.00 0.00 174.62 173.62 3h1c s LEU 356 N -1.02 4.11 0.30 4.79 1.43 -1.26 -1.41 118.68 125.61 3h1c s LEU 356 Ca 0.06 0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 53.28 3h1c s LEU 356 Cb -0.08 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.67 3h1c s LEU 356 CO 0.01 0.25 0.53 -0.83 0.23 0.00 0.00 176.35 176.55 3h1c s GLY 357 N -1.94 0.79 0.83 -3.19 0.00 -0.21 -5.00 107.32 98.60 3h1c s GLY 357 Ca 0.26 -1.04 -0.12 0.00 0.00 0.00 0.00 44.72 43.82 3h1c s GLY 357 CO 0.18 -0.68 1.15 -0.51 0.00 0.00 0.00 173.10 173.24 3h1c s THR 358 N -3.44 2.25 0.44 0.90 -4.23 -1.26 -1.98 115.64 108.32 3h1c s THR 358 Ca 0.24 0.08 0.36 0.00 -1.18 0.00 0.00 61.69 61.18 3h1c s THR 358 Cb -0.01 -2.98 0.38 0.00 1.34 0.00 0.00 72.50 71.23 3h1c s THR 358 CO 0.13 -0.11 2.17 0.00 -0.54 0.00 0.00 174.62 176.28 3h1c h ALA 359 N -1.16 1.12 0.00 3.99 0.00 -1.96 -1.97 119.26 119.29 3h1c h ALA 359 Ca -0.47 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 3h1c h ALA 359 Cb 1.32 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3h1c h ALA 359 CO 0.64 0.05 -0.54 -0.09 0.00 0.00 0.00 179.25 179.31 3h1c h ARG 360 N 0.00 0.00 0.00 0.00 2.43 -1.98 -3.16 114.38 111.67 3h1c h ARG 360 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h1c h ARG 360 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3h1c h ARG 360 CO 0.01 0.54 0.00 -0.25 -1.51 0.00 0.00 179.97 178.75 3h1c n ASP 361 N -3.83 0.00 -4.78 -3.80 8.00 -0.74 -4.84 116.55 106.57 3h1c n ASP 361 Ca -0.01 -1.20 -0.36 0.00 0.71 0.00 0.00 54.79 53.93 3h1c n ASP 361 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 3h1c n ASP 361 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1c s ALA 362 N -2.00 2.91 -0.03 2.24 0.00 -1.20 -5.00 121.76 118.69 3h1c s ALA 362 Ca 0.19 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 3h1c s ALA 362 Cb 0.09 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 3h1c s ALA 362 CO 0.15 -0.53 1.11 -1.14 0.00 0.00 0.00 175.76 175.36 3h1c s GLN 363 N -2.90 4.43 -0.72 0.00 0.74 -1.10 -4.90 119.66 115.21 3h1c s GLN 363 Ca 0.65 1.58 -0.17 0.00 0.05 0.00 0.00 55.36 57.48 3h1c s GLN 363 Cb -0.24 -3.49 0.15 0.00 1.10 0.00 0.00 33.01 30.54 3h1c s GLN 363 CO 0.29 -0.29 0.76 0.08 -0.55 0.00 0.00 175.29 175.57 3h1c s VAL 364 N 1.66 5.15 -0.38 1.34 1.01 -1.26 -1.65 120.40 126.27 3h1c s VAL 364 Ca 0.54 -1.69 -0.15 0.00 0.00 0.00 0.00 61.98 60.69 3h1c s VAL 364 Cb -0.24 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.64 3h1c s VAL 364 CO 0.24 -1.11 0.30 -0.22 0.00 0.00 0.00 175.10 174.31 3h1c s LEU 365 N 1.63 4.83 -0.90 3.92 0.20 -0.95 -5.00 118.68 122.41 3h1c s LEU 365 Ca 0.16 -0.65 -0.22 0.00 0.69 0.00 0.00 54.13 54.10 3h1c s LEU 365 Cb -0.17 -2.19 0.08 0.00 -0.43 0.00 0.00 46.19 43.48 3h1c s LEU 365 CO -0.02 -0.38 1.23 -0.62 -0.29 0.00 0.00 176.35 176.27 3h1c s ASP 366 N 1.71 6.46 0.80 3.68 2.15 -1.26 -2.32 116.67 127.89 3h1c s ASP 366 Ca 0.07 -1.50 -0.11 0.00 0.43 0.00 0.00 52.55 51.44 3h1c s ASP 366 Cb -0.18 -2.48 0.09 0.00 -0.30 0.00 0.00 42.92 40.05 3h1c s ASP 366 CO 0.11 -1.36 1.15 -1.61 -0.17 0.00 0.00 175.17 173.29 3h1c s GLU 367 N 4.02 1.87 0.23 4.34 2.02 -1.13 -4.97 118.70 125.09 3h1c s GLU 367 Ca 0.36 -0.05 -0.01 0.00 0.02 0.00 0.00 54.97 55.29 3h1c s GLU 367 Cb -0.05 -2.00 0.23 0.00 0.10 0.00 0.00 34.13 32.41 3h1c s GLU 367 CO -0.04 -1.60 1.59 1.25 0.02 0.00 0.00 175.26 176.49 3h1c h LEU 368 N -1.00 0.55 -0.24 1.80 5.85 -1.98 -3.16 115.31 117.12 3h1c h LEU 368 Ca -0.45 -0.25 -0.20 0.00 0.84 0.00 0.00 57.88 57.81 3h1c h LEU 368 Cb 1.32 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3h1c h LEU 368 CO 0.61 0.91 -0.66 0.24 -0.34 0.00 0.00 178.44 179.20 3h1c h MET 369 N 0.42 0.83 0.00 1.25 2.86 -1.95 -3.44 114.93 114.90 3h1c h MET 369 Ca 0.03 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 3h1c h MET 369 Cb 0.92 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3h1c h MET 369 CO 0.08 1.22 0.00 0.41 1.06 0.00 0.00 176.91 179.68 3h1c n GLY 370 N 0.52 1.33 3.70 8.32 0.00 -1.20 -4.87 105.19 113.00 3h1c n GLY 370 Ca -0.06 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3h1c n GLY 370 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h1c s GLU 371 N -2.00 4.39 -0.01 1.61 2.12 -1.26 -2.82 118.70 120.73 3h1c s GLU 371 Ca 0.00 1.70 0.01 0.00 0.36 0.00 0.00 54.97 57.04 3h1c s GLU 371 Cb 0.00 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.91 3h1c s GLU 371 CO 0.00 -0.37 -0.04 0.50 -0.54 0.00 0.00 175.26 174.82 3h1c s ARG 372 N 1.77 0.37 -0.04 4.30 3.52 -0.98 -4.97 118.95 122.92 3h1c s ARG 372 Ca 0.57 -0.12 -0.13 0.00 -0.13 0.00 0.00 55.73 55.92 3h1c s ARG 372 Cb -0.26 -0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 32.69 3h1c s ARG 372 CO 0.25 0.05 0.35 0.95 -0.81 0.00 0.00 175.30 176.09 3h1c s THR 373 N 0.14 5.15 -0.17 4.11 -4.23 -1.26 -2.23 115.64 117.14 3h1c s THR 373 Ca -0.01 0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 3h1c s THR 373 Cb -0.04 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.13 3h1c s THR 373 CO -0.00 0.56 -0.08 -0.62 -0.54 0.00 0.00 174.62 173.94 3h1c s ASP 374 N -0.89 4.27 -0.21 3.99 2.15 -0.66 -5.00 116.67 120.33 3h1c s ASP 374 Ca 0.22 -0.32 -0.18 0.00 0.43 0.00 0.00 52.55 52.70 3h1c s ASP 374 Cb -0.15 -1.69 -0.19 0.00 -0.30 0.00 0.00 42.92 40.58 3h1c s ASP 374 CO 0.11 0.09 0.16 0.41 -0.17 0.00 0.00 175.17 175.77 3h1c n THR 375 N 4.04 1.57 -3.38 1.71 -1.04 -1.26 -2.72 114.28 113.20 3h1c n THR 375 Ca -0.18 -0.16 -0.38 0.00 -2.04 0.00 0.00 64.05 61.29 3h1c n THR 375 Cb 0.52 -1.97 -0.06 0.00 -1.82 0.00 0.00 70.33 66.99 3h1c n THR 375 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3h1c s PHE 376 N -2.41 3.47 -0.03 -1.42 5.36 -1.26 -2.96 117.98 118.73 3h1c s PHE 376 Ca -0.29 0.77 0.05 0.00 -0.96 0.00 0.00 56.93 56.50 3h1c s PHE 376 Cb 0.07 -2.50 -0.01 0.00 -0.34 0.00 0.00 43.02 40.24 3h1c s PHE 376 CO 0.60 0.15 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.81 3h1c s LEU 377 N 0.74 1.99 -0.06 6.12 1.43 -0.77 -5.03 118.68 123.09 3h1c s LEU 377 Ca 0.22 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3h1c s LEU 377 Cb -0.14 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 45.05 3h1c s LEU 377 CO 0.08 0.20 -0.11 0.12 0.23 0.00 0.00 176.35 176.87 3h1c s PHE 378 N -0.21 1.39 -0.08 0.29 5.36 -1.26 -0.33 117.98 123.14 3h1c s PHE 378 Ca 0.01 -0.51 0.03 0.00 -0.96 0.00 0.00 56.93 55.51 3h1c s PHE 378 Cb -0.10 -1.03 0.00 0.00 -0.34 0.00 0.00 43.02 41.55 3h1c s PHE 378 CO 0.01 -0.27 -0.19 -1.01 -1.46 0.00 0.00 175.22 172.30 3h1c s HIS 379 N 0.70 2.06 -0.22 10.12 3.76 0.64 -4.74 115.29 127.62 3h1c s HIS 379 Ca -0.14 -0.80 -0.04 0.00 -0.15 0.00 0.00 55.06 53.93 3h1c s HIS 379 Cb -0.16 -1.42 -0.01 0.00 1.11 0.00 0.00 32.58 32.11 3h1c s HIS 379 CO 0.03 -0.34 -0.03 -0.47 -0.85 0.00 0.00 174.74 173.08 3h1c s TYR 380 N 0.43 2.97 -0.14 1.40 5.04 -1.26 -0.73 117.35 125.07 3h1c s TYR 380 Ca -0.16 -0.85 0.01 0.00 -2.44 0.00 0.00 57.07 53.63 3h1c s TYR 380 Cb -0.17 -2.11 -0.00 0.00 0.35 0.00 0.00 41.96 40.03 3h1c s TYR 380 CO 0.06 -0.50 -0.17 -0.80 -1.34 0.00 0.00 175.55 172.80 3h1c s ASN 381 N 1.44 3.61 -0.58 4.32 0.01 -0.88 -4.77 114.94 118.08 3h1c s ASN 381 Ca 0.05 -0.46 0.04 0.00 -0.71 0.00 0.00 52.86 51.79 3h1c s ASN 381 Cb -0.14 -1.54 0.14 0.00 0.41 0.00 0.00 41.25 40.12 3h1c s ASN 381 CO -0.02 0.12 0.34 0.12 -1.51 0.00 0.00 177.10 176.15 3h1c s PHE 382 N 0.60 3.25 0.64 2.20 5.36 -1.26 -3.48 117.98 125.29 3h1c s PHE 382 Ca -0.10 -3.20 -0.13 0.00 -0.96 0.00 0.00 56.93 52.54 3h1c s PHE 382 Cb -0.16 -2.72 -0.02 0.00 -0.34 0.00 0.00 43.02 39.78 3h1c s PHE 382 CO 0.03 -0.67 1.05 -2.14 -1.46 0.00 0.00 175.22 172.03 3h1c s PRO 383 N -0.69 3.20 0.54 10.12 0.02 -1.26 -4.97 135.00 141.96 3h1c s PRO 383 Ca 0.20 1.03 0.33 0.00 0.02 0.00 0.00 61.00 62.59 3h1c s PRO 383 Cb -0.18 -2.02 1.34 0.00 0.02 0.00 0.00 34.50 33.66 3h1c s PRO 383 CO -0.06 -0.89 1.97 -1.35 -0.33 0.00 0.00 177.00 176.33 3h1c h PRO 384 N -0.14 0.00 0.00 5.54 0.11 -1.89 -2.80 132.00 132.82 3h1c h PRO 384 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h1c h PRO 384 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3h1c h PRO 384 CO 0.58 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.85 3h1c n TYR 385 N -3.05 0.00 0.32 0.65 4.11 -1.26 -2.01 117.16 115.92 3h1c n TYR 385 Ca 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.02 3h1c n TYR 385 Cb 0.31 0.00 0.04 0.00 -0.00 0.00 0.00 39.34 39.68 3h1c n TYR 385 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 3h1c n SER 386 N -0.63 0.70 -0.08 9.48 3.41 -1.06 -4.14 113.62 121.30 3h1c n SER 386 Ca 0.06 0.13 0.02 0.00 -0.26 0.00 0.00 58.87 58.82 3h1c n SER 386 Cb 0.03 0.56 0.03 0.00 -0.26 0.00 0.00 64.21 64.56 3h1c n SER 386 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3h1c n VAL 387 N -2.34 0.77 -2.86 -3.33 0.24 -1.17 -0.82 118.33 108.82 3h1c n VAL 387 Ca 0.01 -0.85 -0.07 0.00 -2.04 0.00 0.00 64.34 61.39 3h1c n VAL 387 Cb 0.50 0.48 0.03 0.00 -1.47 0.00 0.00 33.84 33.38 3h1c n VAL 387 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h1c n GLY 388 N -0.49 -0.89 1.91 7.63 0.00 -1.19 -5.04 105.19 107.12 3h1c n GLY 388 Ca 0.03 0.39 -0.04 0.00 0.00 0.00 0.00 46.02 46.41 3h1c n GLY 388 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h1c n GLU 389 N -2.38 0.50 -4.38 1.61 0.28 -0.85 -5.05 120.64 110.37 3h1c n GLU 389 Ca -0.03 -1.02 -0.25 0.00 -0.16 0.00 0.00 57.16 55.69 3h1c n GLU 389 Cb 0.56 1.29 -0.10 0.00 1.43 0.00 0.00 31.44 34.62 3h1c n GLU 389 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3h1c s THR 390 N -2.48 2.78 -0.24 3.84 -4.23 -1.26 -4.06 115.64 109.99 3h1c s THR 390 Ca 0.09 -2.03 -0.34 0.00 -1.18 0.00 0.00 61.69 58.23 3h1c s THR 390 Cb -0.02 -2.41 0.16 0.00 1.34 0.00 0.00 72.50 71.57 3h1c s THR 390 CO 0.05 -0.24 1.28 -0.83 -0.54 0.00 0.00 174.62 174.34 3h1c s GLY 391 N -3.12 -0.16 -0.29 3.99 0.00 -1.26 -4.96 107.32 101.51 3h1c s GLY 391 Ca 0.26 2.04 -0.29 0.00 0.00 0.00 0.00 44.72 46.74 3h1c s GLY 391 CO 0.14 0.75 1.27 1.06 0.00 0.00 0.00 173.10 176.33 3h1c s MET 392 N -1.85 3.97 0.28 2.90 -1.94 -1.26 -4.87 119.30 116.53 3h1c s MET 392 Ca 0.09 1.27 0.03 0.00 -1.71 0.00 0.00 55.69 55.37 3h1c s MET 392 Cb -0.01 -3.85 -0.03 0.00 2.01 0.00 0.00 34.83 32.95 3h1c s MET 392 CO -0.05 -1.05 0.44 0.14 -0.01 0.00 0.00 175.02 174.49 3h1c s VAL 393 N 4.20 5.19 0.00 -6.03 -7.23 -1.26 -4.79 120.40 110.48 3h1c s VAL 393 Ca 0.55 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 3h1c s VAL 393 Cb -0.17 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 32.92 3h1c s VAL 393 CO 0.21 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 3h1c n GLY 394 N -1.54 2.12 3.71 2.32 0.00 -1.26 -5.08 105.19 105.46 3h1c n GLY 394 Ca -0.07 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 3h1c n GLY 394 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h1c s SER 395 N -1.19 7.20 0.07 1.61 0.15 -1.26 -5.00 113.70 115.28 3h1c s SER 395 Ca 0.00 1.84 -0.31 0.00 0.70 0.00 0.00 55.95 58.18 3h1c s SER 395 Cb 0.00 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.67 3h1c s SER 395 CO 0.00 -0.39 1.42 -2.16 1.20 0.00 0.00 173.24 173.32 3h1c s PRO 396 N 1.13 4.29 0.76 5.44 0.04 -1.26 -5.03 135.00 140.38 3h1c s PRO 396 Ca 0.55 2.07 -0.09 0.00 0.04 0.00 0.00 61.00 63.57 3h1c s PRO 396 Cb -0.25 -3.40 0.08 0.00 0.04 0.00 0.00 34.50 30.97 3h1c s PRO 396 CO 0.28 -0.52 1.10 0.15 0.04 0.00 0.00 177.00 178.05 3h1c s LYS 397 N 1.71 2.02 0.50 4.56 1.02 -1.26 -4.90 119.74 123.39 3h1c s LYS 397 Ca 0.65 -0.11 0.23 0.00 0.02 0.00 0.00 55.97 56.76 3h1c s LYS 397 Cb -0.35 -2.06 1.31 0.00 -0.52 0.00 0.00 37.83 36.21 3h1c s LYS 397 CO 0.29 -1.46 2.06 0.00 -0.92 0.00 0.00 175.35 175.32 3h1c h ARG 398 N -0.85 0.00 -0.04 1.68 3.08 -1.99 -2.18 114.38 114.08 3h1c h ARG 398 Ca -0.45 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.37 3h1c h ARG 398 Cb 1.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.38 3h1c h ARG 398 CO 0.62 0.14 -0.92 0.07 -1.07 0.00 0.00 179.97 178.81 3h1c h ARG 399 N 0.00 0.57 -0.34 0.04 -0.00 -1.98 -2.40 114.38 110.27 3h1c h ARG 399 Ca -0.00 -0.56 -0.14 0.00 -0.00 0.00 0.00 59.98 59.28 3h1c h ARG 399 Cb 0.30 0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 30.41 3h1c h ARG 399 CO 0.02 1.18 -0.35 0.93 -0.00 0.00 0.00 179.97 181.75 3h1c h GLU 400 N 0.34 0.79 -0.10 0.08 5.08 -1.75 -1.00 114.58 118.01 3h1c h GLU 400 Ca -0.08 -0.39 -0.19 0.00 -1.00 0.00 0.00 59.36 57.69 3h1c h GLU 400 Cb 1.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 3h1c h GLU 400 CO 0.17 1.02 -0.74 0.82 -1.00 0.00 0.00 179.01 179.28 3h1c h ILE 401 N 0.65 1.35 -0.61 3.13 2.04 -1.51 -1.77 117.51 120.79 3h1c h ILE 401 Ca 0.06 -2.08 -0.09 0.00 1.00 0.00 0.00 64.86 63.75 3h1c h ILE 401 Cb 0.90 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 3h1c h ILE 401 CO 0.08 0.64 0.02 1.23 0.00 0.00 0.00 178.15 180.12 3h1c h GLY 402 N 1.07 1.14 1.33 5.37 0.00 -1.31 -2.79 103.07 107.88 3h1c h GLY 402 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.48 3h1c h GLY 402 CO 0.13 0.75 -0.29 1.42 0.00 0.00 0.00 176.54 178.56 3h1c n HIS 403 N -4.19 0.00 -0.03 5.60 8.25 -0.39 -3.13 115.22 121.33 3h1c n HIS 403 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 3h1c n HIS 403 Cb 0.34 -0.33 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 3h1c n HIS 403 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3h1c h GLY 404 N 5.00 0.00 2.00 -1.41 0.00 -1.05 -3.05 103.07 104.56 3h1c h GLY 404 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 3h1c h GLY 404 CO 0.00 0.00 -0.58 -0.09 0.00 0.00 0.00 176.54 175.87 3h1c h ARG 405 N -0.65 0.00 -0.46 4.80 9.65 -1.67 -2.96 114.38 123.10 3h1c h ARG 405 Ca -0.00 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 3h1c h ARG 405 Cb 0.65 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.18 3h1c h ARG 405 CO 0.00 0.58 0.16 1.25 2.80 0.00 0.00 179.97 184.77 3h1c h LEU 406 N 0.00 0.17 -0.40 3.80 6.46 -1.60 0.34 115.31 124.08 3h1c h LEU 406 Ca -0.01 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 3h1c h LEU 406 Cb 1.15 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 3h1c h LEU 406 CO 0.08 0.13 -0.45 0.00 -0.62 0.00 0.00 178.44 177.58 3h1c h ALA 407 N 1.30 0.80 -0.09 1.25 0.00 -1.56 -3.21 119.26 117.74 3h1c h ALA 407 Ca 0.22 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 3h1c h ALA 407 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3h1c h ALA 407 CO -0.22 0.56 -0.60 -0.22 0.00 0.00 0.00 179.25 178.77 3h1c h LYS 408 N 0.00 0.32 0.00 0.00 3.64 -1.18 -3.01 116.57 116.34 3h1c h LYS 408 Ca -0.00 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3h1c h LYS 408 Cb 1.18 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3h1c h LYS 408 CO 0.06 0.82 0.00 0.54 -2.27 0.00 0.00 179.45 178.60 3h1c n ARG 409 N -3.89 0.20 0.00 1.90 1.74 0.04 -1.97 116.66 114.68 3h1c n ARG 409 Ca -0.03 0.36 0.11 0.00 -0.77 0.00 0.00 57.85 57.52 3h1c n ARG 409 Cb 0.62 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 3h1c n ARG 409 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h1c n GLY 410 N 0.36 -1.08 0.02 -0.13 0.00 -1.14 -4.30 105.19 98.92 3h1c n GLY 410 Ca 0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 46.02 45.53 3h1c n GLY 410 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1c n VAL 411 N -1.59 0.30 -0.19 1.61 0.31 -1.16 -4.67 118.33 112.93 3h1c n VAL 411 Ca 0.04 -0.28 0.06 0.00 -0.01 0.00 0.00 64.34 64.15 3h1c n VAL 411 Cb 0.36 -0.27 0.34 0.00 -0.91 0.00 0.00 33.84 33.36 3h1c n VAL 411 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3h1c h LEU 412 N 0.00 0.69 -0.59 7.52 5.85 -1.60 0.17 115.31 127.34 3h1c h LEU 412 Ca -0.12 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 3h1c h LEU 412 Cb 0.99 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3h1c h LEU 412 CO 0.01 0.44 -0.29 0.00 -0.34 0.00 0.00 178.44 178.26 3h1c h ALA 413 N 1.60 0.78 0.00 1.25 0.00 -1.82 -3.03 119.26 118.03 3h1c h ALA 413 Ca 0.32 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 3h1c h ALA 413 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3h1c h ALA 413 CO -0.11 0.65 -0.82 0.28 0.00 0.00 0.00 179.25 179.25 3h1c h VAL 414 N 0.69 1.55 -2.46 0.00 2.07 -1.62 -3.46 116.25 113.02 3h1c h VAL 414 Ca 0.08 -2.69 -0.55 0.00 0.82 0.00 0.00 66.70 64.36 3h1c h VAL 414 Cb 0.83 2.47 0.06 0.00 -1.52 0.00 0.00 31.29 33.12 3h1c h VAL 414 CO 0.07 0.77 0.91 0.80 0.02 0.00 0.00 177.57 180.15 3h1c n MET 415 N -3.62 2.47 -1.06 1.57 0.00 0.52 -2.77 117.12 114.23 3h1c n MET 415 Ca -0.02 0.89 -0.32 0.00 0.00 0.00 0.00 57.70 58.25 3h1c n MET 415 Cb 0.78 -2.70 0.13 0.00 0.00 0.00 0.00 33.22 31.42 3h1c n MET 415 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3h1c s PRO 416 N 1.11 1.64 0.92 2.12 0.04 -1.26 -4.96 135.00 134.61 3h1c s PRO 416 Ca 0.77 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 3h1c s PRO 416 Cb -0.59 -1.80 0.14 0.00 0.04 0.00 0.00 34.50 32.30 3h1c s PRO 416 CO 0.35 -2.17 1.13 0.16 0.04 0.00 0.00 177.00 176.51 3h1c s ASP 417 N -2.58 3.38 0.26 6.66 -4.77 -1.26 -4.86 116.67 113.50 3h1c s ASP 417 Ca 0.68 1.02 0.03 0.00 -3.30 0.00 0.00 52.55 50.98 3h1c s ASP 417 Cb -0.24 -1.62 0.35 0.00 -1.09 0.00 0.00 42.92 40.32 3h1c s ASP 417 CO 0.53 -2.64 1.65 -0.03 0.70 0.00 0.00 175.17 175.39 3h1c h MET 418 N -1.55 0.39 -0.25 2.11 1.85 -1.96 -2.08 114.93 113.43 3h1c h MET 418 Ca -0.51 -0.19 -0.11 0.00 -0.61 0.00 0.00 59.70 58.28 3h1c h MET 418 Cb 1.33 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.34 3h1c h MET 418 CO 0.61 0.73 -0.29 -0.44 -0.40 0.00 0.00 176.91 177.12 3h1c h ASP 419 N 0.33 0.52 0.19 1.39 3.32 -2.00 -2.92 116.42 117.24 3h1c h ASP 419 Ca 0.03 -0.19 -0.33 0.00 0.02 0.00 0.00 57.03 56.56 3h1c h ASP 419 Cb 0.85 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.27 3h1c h ASP 419 CO 0.07 0.79 -1.59 0.50 -1.72 0.00 0.00 179.24 177.29 3h1c h LYS 420 N 0.44 0.40 -2.99 3.56 3.64 -1.94 -3.43 116.57 116.24 3h1c h LYS 420 Ca 0.06 -0.68 -0.58 0.00 -1.27 0.00 0.00 60.65 58.18 3h1c h LYS 420 Cb 0.74 0.25 -0.40 0.00 -0.41 0.00 0.00 32.23 32.41 3h1c h LYS 420 CO 0.06 1.32 -0.78 0.12 -2.27 0.00 0.00 179.45 177.90 3h1c s PHE 421 N -2.56 1.27 -0.39 1.91 5.36 -0.79 -5.02 117.98 117.76 3h1c s PHE 421 Ca -0.15 -1.75 -0.01 0.00 -0.96 0.00 0.00 56.93 54.05 3h1c s PHE 421 Cb 0.05 -1.40 0.24 0.00 -0.34 0.00 0.00 43.02 41.57 3h1c s PHE 421 CO 0.86 -0.83 2.10 -0.35 -1.46 0.00 0.00 175.22 175.54 3h1c n PRO 422 N 4.32 2.01 -5.19 10.12 -0.04 -1.11 -4.39 135.00 140.73 3h1c n PRO 422 Ca 0.04 -1.93 -0.32 0.00 -0.04 0.00 0.00 63.50 61.25 3h1c n PRO 422 Cb 0.38 -1.78 -0.16 0.00 -0.04 0.00 0.00 33.50 31.91 3h1c n PRO 422 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3h1c s TYR 423 N -2.14 2.48 -0.14 0.54 1.51 -1.26 -4.59 117.35 113.76 3h1c s TYR 423 Ca 0.39 -0.61 -0.29 0.00 -1.01 0.00 0.00 57.07 55.55 3h1c s TYR 423 Cb 0.30 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 3h1c s TYR 423 CO -0.03 -0.14 1.19 0.95 -1.11 0.00 0.00 175.55 176.41 3h1c s THR 424 N -0.26 4.37 -0.22 -0.71 -4.23 -0.84 -4.87 115.64 108.88 3h1c s THR 424 Ca -0.00 1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 62.13 3h1c s THR 424 Cb -0.13 -4.07 -0.01 0.00 1.34 0.00 0.00 72.50 69.63 3h1c s THR 424 CO 0.03 -0.09 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.30 3h1c s VAL 425 N 2.94 3.54 -0.19 2.29 1.01 -1.15 -1.05 120.40 127.79 3h1c s VAL 425 Ca 0.53 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 3h1c s VAL 425 Cb -0.21 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3h1c s VAL 425 CO 0.16 0.42 0.05 -0.60 0.00 0.00 0.00 175.10 175.13 3h1c s ARG 426 N 1.38 3.89 -0.20 2.72 3.52 -0.50 -1.85 118.95 127.91 3h1c s ARG 426 Ca 0.05 -0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 3h1c s ARG 426 Cb -0.14 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.06 3h1c s ARG 426 CO -0.01 0.19 -0.13 0.08 -0.81 0.00 0.00 175.30 174.61 3h1c s VAL 427 N 0.58 2.53 -0.18 7.11 1.01 0.56 -0.91 120.40 131.09 3h1c s VAL 427 Ca 0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3h1c s VAL 427 Cb -0.13 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 3h1c s VAL 427 CO 0.01 0.44 -0.09 -0.69 0.00 0.00 0.00 175.10 174.77 3h1c s VAL 428 N 1.34 3.13 -0.33 2.92 1.01 -0.79 -0.26 120.40 127.42 3h1c s VAL 428 Ca 0.04 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 3h1c s VAL 428 Cb -0.14 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.89 3h1c s VAL 428 CO -0.09 0.47 0.12 -0.55 0.00 0.00 0.00 175.10 175.06 3h1c s SER 429 N 1.04 5.37 -0.11 3.32 0.15 0.09 -0.42 113.70 123.15 3h1c s SER 429 Ca -0.00 -0.91 -0.10 0.00 0.70 0.00 0.00 55.95 55.64 3h1c s SER 429 Cb -0.15 -1.92 -0.05 0.00 -1.71 0.00 0.00 66.02 62.20 3h1c s SER 429 CO -0.01 -0.28 0.21 -1.61 1.20 0.00 0.00 173.24 172.74 3h1c s GLU 430 N 1.49 3.74 -0.26 5.44 0.41 0.84 -2.07 118.70 128.29 3h1c s GLU 430 Ca 0.01 -0.01 -0.05 0.00 -0.41 0.00 0.00 54.97 54.51 3h1c s GLU 430 Cb -0.18 -3.26 0.01 0.00 -1.78 0.00 0.00 34.13 28.91 3h1c s GLU 430 CO 0.04 0.63 0.01 0.42 -0.49 0.00 0.00 175.26 175.87 3h1c s ILE 431 N -0.66 3.54 -0.09 -1.63 1.01 -1.23 0.51 121.20 122.65 3h1c s ILE 431 Ca 0.16 -0.69 0.15 0.00 0.00 0.00 0.00 60.65 60.27 3h1c s ILE 431 Cb -0.13 -2.75 -0.21 0.00 0.01 0.00 0.00 42.46 39.38 3h1c s ILE 431 CO 0.05 0.22 0.61 0.35 0.00 0.00 0.00 174.94 176.17 3h1c n THR 432 N 4.80 1.39 -3.75 2.92 -2.24 -1.05 -4.46 114.28 111.89 3h1c n THR 432 Ca -0.16 -0.77 -0.13 0.00 -2.27 0.00 0.00 64.05 60.72 3h1c n THR 432 Cb 0.49 -0.82 -0.13 0.00 -2.10 0.00 0.00 70.33 67.76 3h1c n THR 432 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3h1c s GLU 433 N -2.71 0.17 -0.11 -0.78 4.04 -1.03 -4.16 118.70 114.12 3h1c s GLU 433 Ca -0.05 0.43 -0.02 0.00 0.04 0.00 0.00 54.97 55.37 3h1c s GLU 433 Cb 0.08 -0.11 0.03 0.00 0.02 0.00 0.00 34.13 34.16 3h1c s GLU 433 CO 0.82 -0.14 -0.00 0.45 -1.84 0.00 0.00 175.26 174.55 3h1c s SER 434 N 1.04 1.97 0.02 0.83 0.15 -0.00 0.10 113.70 117.80 3h1c s SER 434 Ca -0.08 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.29 3h1c s SER 434 Cb -0.09 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 3h1c s SER 434 CO -0.06 -0.21 0.00 -3.20 1.20 0.00 0.00 173.24 170.97 3h1c n ASN 435 N 5.10 0.11 0.00 5.45 5.15 -1.26 -4.66 115.26 125.15 3h1c n ASN 435 Ca -0.08 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 3h1c n ASN 435 Cb 0.49 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 3h1c n ASN 435 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h1c n GLY 436 N 3.23 0.41 3.55 8.20 0.00 -1.26 -1.91 105.19 117.41 3h1c n GLY 436 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3h1c n GLY 436 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h1c s SER 437 N -0.64 6.45 -0.16 1.61 0.15 -1.25 -4.80 113.70 115.05 3h1c s SER 437 Ca 0.00 -0.02 0.13 0.00 0.70 0.00 0.00 55.95 56.76 3h1c s SER 437 Cb 0.00 -2.47 -0.24 0.00 -1.71 0.00 0.00 66.02 61.61 3h1c s SER 437 CO 0.00 -1.18 0.20 -1.54 1.20 0.00 0.00 173.24 171.92 3h1c n SER 438 N 7.48 0.57 -0.23 5.45 3.41 -1.26 -3.61 113.62 125.42 3h1c n SER 438 Ca 0.05 0.10 -0.07 0.00 -0.26 0.00 0.00 58.87 58.70 3h1c n SER 438 Cb 0.48 0.46 0.04 0.00 -0.26 0.00 0.00 64.21 64.93 3h1c n SER 438 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3h1c h SER 439 N 0.00 0.86 1.56 4.04 0.02 -1.94 -1.34 113.55 116.76 3h1c h SER 439 Ca -0.48 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.29 3h1c h SER 439 Cb 2.14 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 64.45 3h1c h SER 439 CO 0.03 0.77 -0.15 0.24 -1.14 0.00 0.00 176.83 176.59 3h1c h MET 440 N 0.89 0.00 0.00 3.45 2.86 -1.90 -2.86 114.93 117.37 3h1c h MET 440 Ca 0.22 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.77 3h1c h MET 440 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3h1c h MET 440 CO -0.02 0.15 -0.42 0.00 1.06 0.00 0.00 176.91 177.67 3h1c h ALA 441 N 1.85 1.09 -0.03 6.32 0.00 -1.48 -2.66 119.26 124.35 3h1c h ALA 441 Ca -0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 3h1c h ALA 441 Cb 0.97 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3h1c h ALA 441 CO 0.02 0.52 -0.76 0.77 0.00 0.00 0.00 179.25 179.80 3h1c h SER 442 N 0.00 0.30 -0.50 0.00 0.02 -1.04 -2.75 113.55 109.59 3h1c h SER 442 Ca -0.00 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.62 3h1c h SER 442 Cb 0.86 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 3h1c h SER 442 CO 0.05 0.95 -0.11 0.58 -1.14 0.00 0.00 176.83 177.17 3h1c h VAL 443 N 0.16 1.27 -0.68 2.27 2.07 -1.38 0.18 116.25 120.14 3h1c h VAL 443 Ca -0.03 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 3h1c h VAL 443 Cb 1.34 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 3h1c h VAL 443 CO 0.12 0.44 0.19 0.00 0.02 0.00 0.00 177.57 178.34 3h1c h GLY 445 N 1.01 0.00 0.94 0.00 0.00 -1.33 -3.25 103.07 100.44 3h1c h GLY 445 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 3h1c h GLY 445 CO -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.35 3h1c h ALA 446 N 1.86 0.44 -0.25 3.60 0.00 -0.69 -2.08 119.26 122.14 3h1c h ALA 446 Ca -0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 3h1c h ALA 446 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3h1c h ALA 446 CO 0.02 0.36 -0.25 1.03 0.00 0.00 0.00 179.25 180.42 3h1c h SER 447 N 0.42 0.47 0.57 0.00 0.87 -1.58 -1.68 113.55 112.63 3h1c h SER 447 Ca 0.06 -0.16 -0.16 0.00 -1.23 0.00 0.00 61.79 60.30 3h1c h SER 447 Cb 0.72 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3h1c h SER 447 CO 0.05 0.72 -0.73 -0.07 -0.53 0.00 0.00 176.83 176.27 3h1c h LEU 448 N 0.42 0.15 -0.32 2.23 3.38 -1.58 -2.78 115.31 116.81 3h1c h LEU 448 Ca 0.06 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 3h1c h LEU 448 Cb 0.66 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3h1c h LEU 448 CO 0.05 0.83 -0.85 0.00 0.09 0.00 0.00 178.44 178.56 3h1c h ALA 449 N 1.17 0.54 -0.03 1.53 0.00 -1.15 -2.88 119.26 118.43 3h1c h ALA 449 Ca -0.02 -0.70 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 3h1c h ALA 449 Cb 1.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3h1c h ALA 449 CO 0.11 0.88 -0.59 -0.07 0.00 0.00 0.00 179.25 179.57 3h1c h LEU 450 N 0.13 0.11 -0.69 0.00 3.38 -1.31 -2.30 115.31 114.63 3h1c h LEU 450 Ca -0.04 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 3h1c h LEU 450 Cb 1.46 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 3h1c h LEU 450 CO 0.13 0.67 -0.58 0.24 0.09 0.00 0.00 178.44 179.00 3h1c h MET 451 N 0.07 0.23 -0.08 1.13 2.86 -1.50 -0.11 114.93 117.54 3h1c h MET 451 Ca -0.01 -0.15 -0.17 0.00 -2.06 0.00 0.00 59.70 57.31 3h1c h MET 451 Cb 1.06 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 3h1c h MET 451 CO 0.08 0.75 -0.69 0.22 1.06 0.00 0.00 176.91 178.33 3h1c h ASP 452 N 0.18 0.41 0.66 1.22 3.58 -1.36 -3.12 116.42 117.98 3h1c h ASP 452 Ca -0.00 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3h1c h ASP 452 Cb 1.07 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.00 3h1c h ASP 452 CO 0.09 0.97 -0.10 0.00 -2.88 0.00 0.00 179.24 177.32 3h1c n ALA 453 N -2.49 2.66 -1.96 -0.78 0.00 -0.88 -4.68 120.51 112.37 3h1c n ALA 453 Ca -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.21 3h1c n ALA 453 Cb 0.68 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.74 3h1c n ALA 453 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1c n GLY 454 N 1.40 0.37 3.64 0.00 0.00 -0.95 -4.93 105.19 104.71 3h1c n GLY 454 Ca 0.10 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3h1c n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1c s VAL 455 N -2.01 4.90 -1.14 1.61 1.01 -0.10 -4.97 120.40 119.71 3h1c s VAL 455 Ca 0.00 1.40 -0.23 0.00 0.00 0.00 0.00 61.98 63.14 3h1c s VAL 455 Cb 0.00 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 3h1c s VAL 455 CO 0.00 -0.03 1.96 -2.16 0.00 0.00 0.00 175.10 174.87 3h1c s PRO 456 N 2.66 2.38 0.56 2.72 0.04 -1.26 -4.62 135.00 137.48 3h1c s PRO 456 Ca 0.32 -0.97 -0.14 0.00 0.04 0.00 0.00 61.00 60.24 3h1c s PRO 456 Cb -0.15 -5.19 -0.06 0.00 0.04 0.00 0.00 34.50 29.13 3h1c s PRO 456 CO 0.08 -4.05 1.01 0.96 0.04 0.00 0.00 177.00 175.04 3h1c s ILE 457 N 11.48 4.54 -0.00 0.56 -5.25 -1.26 -4.37 121.20 126.89 3h1c s ILE 457 Ca 0.70 1.06 -0.17 0.00 -0.99 0.00 0.00 60.65 61.25 3h1c s ILE 457 Cb -0.02 -3.74 -0.09 0.00 2.95 0.00 0.00 42.46 41.55 3h1c s ILE 457 CO 0.12 -0.85 0.85 0.50 -1.79 0.00 0.00 174.94 173.77 3h1c h LYS 458 N 0.40 -0.59 -2.76 0.37 1.63 -1.89 -3.47 116.57 110.27 3h1c h LYS 458 Ca -0.46 0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.26 3h1c h LYS 458 Cb 1.19 0.13 -0.24 0.00 -0.60 0.00 0.00 32.23 32.72 3h1c h LYS 458 CO 0.61 -0.39 -0.23 0.00 -3.45 0.00 0.00 179.45 175.99 3h1c s ALA 459 N -4.20 -1.01 0.21 5.00 0.00 -1.26 -5.14 121.76 115.36 3h1c s ALA 459 Ca -0.09 1.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 3h1c s ALA 459 Cb 0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 23.12 22.37 3h1c s ALA 459 CO 0.27 -0.20 1.10 0.00 0.00 0.00 0.00 175.76 176.93 3h1c n ALA 460 N 2.72 -0.64 -3.26 0.00 0.00 -1.26 -4.84 120.51 113.22 3h1c n ALA 460 Ca -0.14 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 3h1c n ALA 460 Cb 0.57 -2.02 -0.16 0.00 0.00 0.00 0.00 19.45 17.84 3h1c n ALA 460 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h1c s VAL 461 N -0.47 2.41 0.27 0.00 0.11 -1.26 -4.02 120.40 117.43 3h1c s VAL 461 Ca 0.68 -0.89 0.07 0.00 -2.93 0.00 0.00 61.98 58.91 3h1c s VAL 461 Cb -0.80 -1.97 -0.06 0.00 -1.53 0.00 0.00 36.38 32.02 3h1c s VAL 461 CO 0.54 0.54 -0.07 0.00 -3.33 0.00 0.00 175.10 172.79 3h1c s ALA 462 N 0.46 2.29 0.01 1.54 0.00 -0.65 -4.18 121.76 121.24 3h1c s ALA 462 Ca -0.14 -1.87 -0.01 0.00 0.00 0.00 0.00 51.96 49.94 3h1c s ALA 462 Cb -0.17 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3h1c s ALA 462 CO 0.06 -0.06 -0.00 0.20 0.00 0.00 0.00 175.76 175.95 3h1c s GLY 463 N -3.42 0.18 0.20 0.00 0.00 -1.26 -1.34 107.32 101.67 3h1c s GLY 463 Ca 0.29 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 44.59 3h1c s GLY 463 CO 0.11 -0.50 0.04 -0.42 0.00 0.00 0.00 173.10 172.33 3h1c s ILE 464 N -1.21 0.56 -0.02 0.90 1.09 0.13 -4.69 121.20 117.96 3h1c s ILE 464 Ca -0.13 -1.98 0.01 0.00 -1.10 0.00 0.00 60.65 57.45 3h1c s ILE 464 Cb -0.08 -2.28 0.01 0.00 -1.06 0.00 0.00 42.46 39.05 3h1c s ILE 464 CO -0.01 -0.32 -0.04 0.00 -0.10 0.00 0.00 174.94 174.48 3h1c s ALA 465 N -3.74 0.52 0.14 9.38 0.00 -1.26 -0.41 121.76 126.38 3h1c s ALA 465 Ca 0.29 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.22 3h1c s ALA 465 Cb 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3h1c s ALA 465 CO 0.07 0.05 -0.10 -1.64 0.00 0.00 0.00 175.76 174.13 3h1c s MET 466 N 0.42 2.07 0.13 0.00 -1.94 0.68 -1.88 119.30 118.78 3h1c s MET 466 Ca -0.05 -1.13 0.06 0.00 -1.71 0.00 0.00 55.69 52.86 3h1c s MET 466 Cb -0.09 -2.23 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 3h1c s MET 466 CO -0.00 0.48 -0.14 0.20 -0.01 0.00 0.00 175.02 175.54 3h1c s GLY 467 N -2.45 1.10 -0.01 -0.03 0.00 -0.90 0.16 107.32 105.20 3h1c s GLY 467 Ca 0.22 -1.33 0.04 0.00 0.00 0.00 0.00 44.72 43.65 3h1c s GLY 467 CO 0.14 -1.39 -0.13 -2.27 0.00 0.00 0.00 173.10 169.45 3h1c s LEU 468 N -2.55 2.03 -0.29 0.66 2.96 -1.25 -0.88 118.68 119.36 3h1c s LEU 468 Ca 0.10 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3h1c s LEU 468 Cb -0.04 -0.65 0.06 0.00 0.50 0.00 0.00 46.19 46.06 3h1c s LEU 468 CO 0.03 0.15 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.48 3h1c s VAL 469 N -0.33 2.57 -0.09 1.68 1.01 -1.08 -1.96 120.40 122.19 3h1c s VAL 469 Ca 0.05 -1.58 0.04 0.00 0.00 0.00 0.00 61.98 60.48 3h1c s VAL 469 Cb -0.05 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3h1c s VAL 469 CO -0.00 -0.12 -0.22 -0.75 0.00 0.00 0.00 175.10 174.01 3h1c s LYS 470 N 1.16 2.86 -0.23 2.72 2.20 -1.26 -2.56 119.74 124.64 3h1c s LYS 470 Ca -0.06 -0.82 -0.04 0.00 -0.36 0.00 0.00 55.97 54.70 3h1c s LYS 470 Cb -0.20 -2.18 0.08 0.00 -1.51 0.00 0.00 37.83 34.02 3h1c s LYS 470 CO -0.03 0.16 0.09 -2.00 -0.36 0.00 0.00 175.35 173.21 3h1c s GLU 471 N 0.37 0.28 1.24 4.03 2.56 -0.92 -5.00 118.70 121.27 3h1c s GLU 471 Ca -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 54.97 54.40 3h1c s GLU 471 Cb -0.18 -1.70 0.00 0.00 2.00 0.00 0.00 34.13 34.26 3h1c s GLU 471 CO 0.08 -0.80 0.00 0.41 -0.56 0.00 0.00 175.26 174.39 3h1c n GLY 472 N 5.18 2.17 0.00 -1.50 0.00 -1.26 -2.98 105.19 106.80 3h1c n GLY 472 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3h1c n GLY 472 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h1c n ASP 473 N 5.35 0.41 -4.73 1.61 5.75 -1.26 -5.08 116.55 118.60 3h1c n ASP 473 Ca 0.00 -0.01 -0.41 0.00 -0.01 0.00 0.00 54.79 54.36 3h1c n ASP 473 Cb 0.00 0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 3h1c n ASP 473 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3h1c s ASN 474 N -0.18 7.12 0.01 -1.12 0.02 -1.16 -5.04 114.94 114.59 3h1c s ASN 474 Ca 0.00 2.15 0.01 0.00 -1.02 0.00 0.00 52.86 54.00 3h1c s ASN 474 Cb 0.00 -2.60 -0.01 0.00 0.02 0.00 0.00 41.25 38.66 3h1c s ASN 474 CO 0.00 -0.36 -0.03 -0.72 0.02 0.00 0.00 177.10 176.01 3h1c s TYR 475 N 0.17 0.28 -0.08 2.20 1.13 -1.26 -2.16 117.35 117.63 3h1c s TYR 475 Ca 0.53 -0.30 0.01 0.00 -1.41 0.00 0.00 57.07 55.91 3h1c s TYR 475 Cb -0.31 -0.18 0.02 0.00 -1.10 0.00 0.00 41.96 40.38 3h1c s TYR 475 CO 0.34 -0.09 -0.09 0.08 -2.51 0.00 0.00 175.55 173.29 3h1c s VAL 476 N -0.80 0.96 -0.21 -3.49 1.01 -1.06 -5.01 120.40 111.80 3h1c s VAL 476 Ca -0.07 -0.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 3h1c s VAL 476 Cb -0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3h1c s VAL 476 CO -0.00 0.33 0.48 -0.69 0.00 0.00 0.00 175.10 175.22 3h1c s VAL 477 N 1.13 5.13 -0.12 2.92 1.01 -1.26 -2.63 120.40 126.56 3h1c s VAL 477 Ca -0.06 0.86 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 3h1c s VAL 477 Cb -0.14 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3h1c s VAL 477 CO -0.01 0.18 -0.01 -0.76 0.00 0.00 0.00 175.10 174.50 3h1c s LEU 478 N 1.65 3.48 -0.17 3.92 1.02 -0.06 -4.60 118.68 123.92 3h1c s LEU 478 Ca 0.22 0.03 -0.10 0.00 0.02 0.00 0.00 54.13 54.30 3h1c s LEU 478 Cb -0.15 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.19 3h1c s LEU 478 CO 0.09 0.27 0.17 -0.44 0.02 0.00 0.00 176.35 176.46 3h1c s SER 479 N -0.25 6.30 -0.59 2.29 0.01 -0.72 -2.11 113.70 118.63 3h1c s SER 479 Ca 0.06 0.35 -0.16 0.00 1.31 0.00 0.00 55.95 57.50 3h1c s SER 479 Cb -0.12 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.02 3h1c s SER 479 CO 0.02 0.22 0.64 -0.67 0.41 0.00 0.00 173.24 173.86 3h1c n ASP 480 N 3.16 -6.60 -4.83 2.44 2.03 -0.79 -4.78 116.55 107.18 3h1c n ASP 480 Ca -0.16 -0.10 -0.32 0.00 0.52 0.00 0.00 54.79 54.73 3h1c n ASP 480 Cb 0.53 -3.57 -0.02 0.00 -0.72 0.00 0.00 41.12 37.34 3h1c n ASP 480 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3h1c s ILE 481 N -2.46 4.33 0.00 5.18 -4.36 -1.22 -4.85 121.20 117.82 3h1c s ILE 481 Ca 0.18 1.08 0.00 0.00 -0.26 0.00 0.00 60.65 61.65 3h1c s ILE 481 Cb -0.03 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 40.05 3h1c s ILE 481 CO 0.82 -0.68 0.00 0.18 0.24 0.00 0.00 174.94 175.51 3h1c n LEU 482 N -1.84 0.00 -0.11 0.37 4.32 -1.26 -3.85 117.00 114.63 3h1c n LEU 482 Ca 0.07 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.93 3h1c n LEU 482 Cb 0.54 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.31 3h1c n LEU 482 CO 0.48 -0.41 0.58 1.23 -1.22 0.00 0.00 177.39 178.05 3h1c h GLY 483 N 0.00 0.88 1.31 -0.72 0.00 -1.69 -2.83 103.07 100.01 3h1c h GLY 483 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 47.33 46.34 3h1c h GLY 483 CO 0.00 0.79 -0.25 -0.55 0.00 0.00 0.00 176.54 176.53 3h1c h ASP 484 N 0.59 0.81 1.51 0.19 3.32 -1.95 -1.63 116.42 119.25 3h1c h ASP 484 Ca 0.06 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3h1c h ASP 484 Cb 0.87 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3h1c h ASP 484 CO 0.08 1.02 0.00 -0.33 -1.72 0.00 0.00 179.24 178.29 3h1c h GLU 485 N 0.68 0.00 0.16 3.56 5.08 -1.94 -1.93 114.58 120.20 3h1c h GLU 485 Ca 0.09 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.10 3h1c h GLU 485 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3h1c h GLU 485 CO 0.06 0.00 -1.79 0.22 -1.00 0.00 0.00 179.01 176.50 3h1c h ASP 486 N 0.00 0.54 -0.08 1.42 3.58 -1.29 -2.90 116.42 117.69 3h1c h ASP 486 Ca 0.00 -0.89 -0.16 0.00 0.42 0.00 0.00 57.03 56.40 3h1c h ASP 486 Cb 0.75 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.64 3h1c h ASP 486 CO 0.00 1.76 -0.58 0.45 -2.88 0.00 0.00 179.24 177.99 3h1c h HIS 487 N 0.09 0.74 -0.02 0.28 3.86 -1.31 -3.29 115.15 115.51 3h1c h HIS 487 Ca -0.35 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.51 3h1c h HIS 487 Cb 2.08 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 30.44 3h1c h HIS 487 CO 0.09 1.14 -0.06 1.28 0.86 0.00 0.00 177.93 181.24 3h1c n LEU 488 N -4.18 1.64 0.00 2.43 4.77 -0.73 -4.89 117.00 116.04 3h1c n LEU 488 Ca -0.09 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3h1c n LEU 488 Cb 0.65 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3h1c n LEU 488 CO 0.48 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3h1c n GLY 489 N 1.24 0.88 0.00 -0.72 0.00 -1.10 -4.89 105.19 100.59 3h1c n GLY 489 Ca 0.17 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3h1c n GLY 489 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1c n ASP 490 N 0.00 3.65 -3.73 1.61 8.00 -0.83 -5.02 116.55 120.23 3h1c n ASP 490 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3h1c n ASP 490 Cb 0.00 0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 41.23 3h1c n ASP 490 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1c s MET 491 N -1.81 0.76 -0.30 -1.24 0.23 -1.26 -0.90 119.30 114.78 3h1c s MET 491 Ca 0.00 -0.26 -0.06 0.00 -1.03 0.00 0.00 55.69 54.34 3h1c s MET 491 Cb 0.00 0.34 0.02 0.00 -1.53 0.00 0.00 34.83 33.65 3h1c s MET 491 CO 0.00 -0.23 0.07 0.34 -2.03 0.00 0.00 175.02 173.17 3h1c s ASP 492 N -1.58 5.05 -0.75 -1.18 2.15 -1.22 -3.84 116.67 115.30 3h1c s ASP 492 Ca -0.10 -0.81 -0.03 0.00 0.43 0.00 0.00 52.55 52.04 3h1c s ASP 492 Cb -0.03 -1.85 0.19 0.00 -0.30 0.00 0.00 42.92 40.93 3h1c s ASP 492 CO 0.02 -0.21 0.60 0.12 -0.17 0.00 0.00 175.17 175.53 3h1c s PHE 493 N 1.46 3.62 -0.09 -5.34 5.36 0.12 -2.87 117.98 120.24 3h1c s PHE 493 Ca 0.01 -2.85 -0.26 0.00 -0.96 0.00 0.00 56.93 52.88 3h1c s PHE 493 Cb -0.18 -3.22 -0.03 0.00 -0.34 0.00 0.00 43.02 39.26 3h1c s PHE 493 CO 0.02 -0.79 0.83 0.15 -1.46 0.00 0.00 175.22 173.96 3h1c s LYS 494 N -0.65 4.41 -0.03 10.12 1.02 0.44 -0.23 119.74 134.82 3h1c s LYS 494 Ca 0.22 1.07 0.02 0.00 0.02 0.00 0.00 55.97 57.30 3h1c s LYS 494 Cb -0.14 -3.50 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 3h1c s LYS 494 CO -0.08 -0.13 -0.09 0.08 -0.92 0.00 0.00 175.35 174.22 3h1c s VAL 495 N 1.41 0.79 -0.08 3.17 1.01 0.46 -0.44 120.40 126.71 3h1c s VAL 495 Ca 0.41 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 3h1c s VAL 495 Cb -0.18 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.53 3h1c s VAL 495 CO 0.18 0.25 0.21 0.00 0.00 0.00 0.00 175.10 175.74 3h1c s ALA 496 N 0.25 -0.48 0.02 5.51 0.00 0.52 0.19 121.76 127.77 3h1c s ALA 496 Ca -0.04 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 3h1c s ALA 496 Cb -0.09 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.62 3h1c s ALA 496 CO 0.01 -0.14 0.75 0.41 0.00 0.00 0.00 175.76 176.79 3h1c n GLY 497 N 3.61 0.50 0.41 0.00 0.00 -0.45 0.07 105.19 109.34 3h1c n GLY 497 Ca -0.19 -0.99 -0.03 0.00 0.00 0.00 0.00 46.02 44.81 3h1c n GLY 497 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h1c n SER 498 N -0.80 0.12 0.17 1.61 3.41 -0.06 -1.63 113.62 116.44 3h1c n SER 498 Ca 0.02 -1.11 0.03 0.00 -0.26 0.00 0.00 58.87 57.55 3h1c n SER 498 Cb 0.36 -0.08 0.30 0.00 -0.26 0.00 0.00 64.21 64.53 3h1c n SER 498 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3h1c h ARG 499 N 0.00 0.00 0.10 4.33 2.43 -1.90 -3.31 114.38 116.02 3h1c h ARG 499 Ca -0.04 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.90 3h1c h ARG 499 Cb 0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3h1c h ARG 499 CO 0.04 0.44 -1.17 -0.44 -1.51 0.00 0.00 179.97 177.33 3h1c h ASP 500 N 0.00 0.33 -1.08 -3.80 3.32 -1.94 -3.50 116.42 109.74 3h1c h ASP 500 Ca -0.00 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.20 3h1c h ASP 500 Cb 0.91 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3h1c h ASP 500 CO 0.06 1.51 0.00 0.61 -1.72 0.00 0.00 179.24 179.70 3h1c n GLY 501 N 1.69 3.35 3.53 2.75 0.00 -1.25 -4.79 105.19 110.48 3h1c n GLY 501 Ca -0.22 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 3h1c n GLY 501 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1c s ILE 502 N -2.34 3.81 -0.22 -0.61 1.01 0.75 -0.88 121.20 122.72 3h1c s ILE 502 Ca 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.32 3h1c s ILE 502 Cb 0.00 -2.62 -0.19 0.00 0.01 0.00 0.00 42.46 39.66 3h1c s ILE 502 CO 0.00 0.54 -0.10 -1.54 0.00 0.00 0.00 174.94 173.85 3h1c n SER 503 N 2.96 1.41 -3.87 3.58 3.41 0.21 -2.28 113.62 119.03 3h1c n SER 503 Ca -0.18 -0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.24 3h1c n SER 503 Cb 0.53 0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 64.53 3h1c n SER 503 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1c s ALA 504 N -2.47 -0.12 -0.21 7.33 0.00 0.11 -0.11 121.76 126.30 3h1c s ALA 504 Ca -0.23 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 3h1c s ALA 504 Cb 0.07 -0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.25 3h1c s ALA 504 CO 0.64 -0.06 0.25 -1.17 0.00 0.00 0.00 175.76 175.42 3h1c s LEU 505 N -0.30 -0.19 -0.08 0.00 2.96 -1.26 -0.36 118.68 119.46 3h1c s LEU 505 Ca -0.03 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3h1c s LEU 505 Cb -0.02 0.49 -0.02 0.00 0.50 0.00 0.00 46.19 47.14 3h1c s LEU 505 CO 0.00 -0.32 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.01 3h1c s GLN 506 N 2.36 2.84 -0.02 1.98 0.74 0.42 -2.79 119.66 125.19 3h1c s GLN 506 Ca 0.08 -0.65 0.01 0.00 0.05 0.00 0.00 55.36 54.85 3h1c s GLN 506 Cb -0.16 -2.52 0.02 0.00 1.10 0.00 0.00 33.01 31.45 3h1c s GLN 506 CO -0.13 0.51 -0.02 1.41 -0.55 0.00 0.00 175.29 176.50 3h1c s MET 507 N -0.42 0.43 -0.35 1.67 -2.45 0.43 -0.42 119.30 118.19 3h1c s MET 507 Ca 0.05 -0.04 0.01 0.00 -1.25 0.00 0.00 55.69 54.46 3h1c s MET 507 Cb -0.12 -0.51 0.14 0.00 1.25 0.00 0.00 34.83 35.59 3h1c s MET 507 CO 0.02 -0.05 0.29 0.16 1.05 0.00 0.00 175.02 176.49 3h1c s ASP 508 N 0.62 2.07 -0.00 1.11 -4.77 -1.14 -0.14 116.67 114.42 3h1c s ASP 508 Ca -0.07 -1.65 -0.24 0.00 -3.30 0.00 0.00 52.55 47.30 3h1c s ASP 508 Cb -0.10 0.14 -0.05 0.00 -1.09 0.00 0.00 42.92 41.82 3h1c s ASP 508 CO -0.01 -0.31 0.72 -0.63 0.70 0.00 0.00 175.17 175.64 3h1c s ILE 509 N 1.50 4.87 -1.32 2.11 1.09 0.68 -3.44 121.20 126.68 3h1c s ILE 509 Ca 0.15 1.52 0.26 0.00 -1.10 0.00 0.00 60.65 61.48 3h1c s ILE 509 Cb -0.18 -4.07 0.14 0.00 -1.06 0.00 0.00 42.46 37.29 3h1c s ILE 509 CO -0.09 0.33 1.51 0.29 -0.10 0.00 0.00 174.94 176.88 3h1c n LYS 510 N 3.14 0.36 -4.25 2.79 5.02 -0.08 -4.83 118.16 120.31 3h1c n LYS 510 Ca -0.03 -0.20 -0.17 0.00 -2.02 0.00 0.00 58.31 55.89 3h1c n LYS 510 Cb 0.51 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.89 3h1c n LYS 510 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3h1c s ILE 511 N -2.78 0.76 -0.85 -0.18 -4.36 -1.25 -4.77 121.20 107.77 3h1c s ILE 511 Ca 0.17 -0.75 -0.10 0.00 -0.26 0.00 0.00 60.65 59.70 3h1c s ILE 511 Cb 0.18 -0.70 -0.08 0.00 1.25 0.00 0.00 42.46 43.11 3h1c s ILE 511 CO 0.61 -0.03 2.02 -0.62 0.24 0.00 0.00 174.94 177.16 3h1c n GLU 512 N 2.18 1.85 0.00 0.37 4.71 -1.26 -4.11 120.64 124.37 3h1c n GLU 512 Ca -0.17 -1.55 0.00 0.00 -0.01 0.00 0.00 57.16 55.43 3h1c n GLU 512 Cb 0.56 -2.58 0.00 0.00 -1.01 0.00 0.00 31.44 28.41 3h1c n GLU 512 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3h1c n GLY 513 N 4.00 0.48 3.18 0.62 0.00 -1.26 -4.91 105.19 107.30 3h1c n GLY 513 Ca 0.45 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.88 3h1c n GLY 513 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h1c n ILE 514 N -0.34 0.00 -3.84 -0.61 -0.00 -1.26 -4.89 119.36 108.41 3h1c n ILE 514 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.54 3h1c n ILE 514 Cb 0.00 -0.46 -0.03 0.00 -0.00 0.00 0.00 39.64 39.15 3h1c n ILE 514 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 3h1c s THR 515 N 4.63 4.39 0.01 1.39 2.01 -1.26 -4.47 115.64 122.33 3h1c s THR 515 Ca 1.07 -1.17 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 3h1c s THR 515 Cb -1.39 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 67.60 3h1c s THR 515 CO 0.66 -0.26 0.90 0.50 -0.69 0.00 0.00 174.62 175.74 3h1c h LYS 516 N 1.19 -0.17 -0.67 4.92 3.64 -1.99 -2.03 116.57 121.46 3h1c h LYS 516 Ca -0.48 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 3h1c h LYS 516 Cb 1.24 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.06 3h1c h LYS 516 CO 0.58 -0.11 0.43 1.05 -2.27 0.00 0.00 179.45 179.13 3h1c h GLU 517 N -0.20 0.83 -0.96 1.90 9.09 -1.99 -1.00 114.58 122.25 3h1c h GLU 517 Ca -0.02 -0.05 0.19 0.00 0.05 0.00 0.00 59.36 59.53 3h1c h GLU 517 Cb 0.13 -0.19 -0.09 0.00 -1.65 0.00 0.00 28.75 26.96 3h1c h GLU 517 CO 0.03 0.55 0.61 -0.84 0.05 0.00 0.00 179.01 179.40 3h1c h ILE 518 N 0.85 0.72 0.00 -1.06 3.07 -2.00 0.46 117.51 119.56 3h1c h ILE 518 Ca 0.26 -0.22 -0.09 0.00 1.55 0.00 0.00 64.86 66.37 3h1c h ILE 518 Cb -0.02 0.03 -0.01 0.00 -0.27 0.00 0.00 36.82 36.55 3h1c h ILE 518 CO -0.09 0.12 -0.41 -0.03 -1.05 0.00 0.00 178.15 176.69 3h1c h MET 519 N 0.64 0.00 -0.33 0.16 4.05 -0.42 -2.53 114.93 116.50 3h1c h MET 519 Ca 0.52 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.78 3h1c h MET 519 Cb 0.96 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.76 3h1c h MET 519 CO -0.27 0.41 -0.40 0.37 0.23 0.00 0.00 176.91 177.24 3h1c h GLN 520 N 0.00 0.85 -0.71 0.39 5.75 0.27 -2.19 115.11 119.48 3h1c h GLN 520 Ca -0.00 -0.48 -0.02 0.00 -0.15 0.00 0.00 58.65 57.99 3h1c h GLN 520 Cb 0.86 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.41 3h1c h GLN 520 CO 0.05 1.12 0.35 0.28 -2.65 0.00 0.00 178.83 177.98 3h1c h VAL 521 N 0.64 1.23 -0.02 2.39 2.07 -0.91 0.19 116.25 121.83 3h1c h VAL 521 Ca 0.04 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 3h1c h VAL 521 Cb 1.00 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3h1c h VAL 521 CO 0.10 0.27 -0.52 0.00 0.02 0.00 0.00 177.57 177.44 3h1c h ALA 522 N 1.17 1.10 0.06 1.67 0.00 -1.47 -1.39 119.26 120.40 3h1c h ALA 522 Ca 0.24 -0.47 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 3h1c h ALA 522 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3h1c h ALA 522 CO -0.03 0.65 -1.26 1.25 0.00 0.00 0.00 179.25 179.86 3h1c h LEU 523 N 0.05 0.19 -0.34 0.00 5.85 -1.03 -2.77 115.31 117.26 3h1c h LEU 523 Ca -0.00 -0.23 -0.19 0.00 0.84 0.00 0.00 57.88 58.30 3h1c h LEU 523 Cb 0.93 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3h1c h LEU 523 CO 0.07 1.19 -0.83 -1.13 -0.34 0.00 0.00 178.44 177.40 3h1c h ASN 524 N 0.03 0.25 1.22 1.25 -1.24 -0.60 -3.04 115.58 113.45 3h1c h ASN 524 Ca -0.13 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 56.66 3h1c h ASN 524 Cb 1.90 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 40.87 3h1c h ASN 524 CO 0.15 0.97 -0.16 -0.61 -1.29 0.00 0.00 177.43 176.50 3h1c h GLN 525 N 0.12 0.00 -0.04 6.67 4.15 -1.33 -2.91 115.11 121.77 3h1c h GLN 525 Ca -0.04 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 3h1c h GLN 525 Cb 1.44 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.12 3h1c h GLN 525 CO 0.13 0.16 -0.60 0.00 -1.93 0.00 0.00 178.83 176.59 3h1c h ALA 526 N 1.84 0.92 -0.49 3.38 0.00 -1.38 -2.72 119.26 120.81 3h1c h ALA 526 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3h1c h ALA 526 Cb 0.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3h1c h ALA 526 CO 0.02 0.73 0.19 -0.22 0.00 0.00 0.00 179.25 179.97 3h1c h LYS 527 N 0.10 0.74 -0.21 0.00 3.64 -1.42 -1.66 116.57 117.76 3h1c h LYS 527 Ca -0.01 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 3h1c h LYS 527 Cb 1.08 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3h1c h LYS 527 CO 0.09 0.67 -0.11 0.78 -2.27 0.00 0.00 179.45 178.61 3h1c h GLY 528 N 0.66 0.48 2.00 5.01 0.00 -1.59 -2.67 103.07 106.96 3h1c h GLY 528 Ca 0.16 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3h1c h GLY 528 CO -0.01 0.40 -0.29 0.00 0.00 0.00 0.00 176.54 176.64 3h1c h ALA 529 N 0.70 1.40 -0.03 3.60 0.00 -1.47 -2.62 119.26 120.84 3h1c h ALA 529 Ca 0.05 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 3h1c h ALA 529 Cb 0.60 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h1c h ALA 529 CO 0.03 0.36 -0.70 -0.09 0.00 0.00 0.00 179.25 178.84 3h1c h ARG 530 N 0.00 0.53 0.00 0.00 2.43 -1.30 -3.20 114.38 112.84 3h1c h ARG 530 Ca -0.00 -0.53 -0.04 0.00 -0.81 0.00 0.00 59.98 58.59 3h1c h ARG 530 Cb 0.55 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3h1c h ARG 530 CO 0.04 1.16 -0.20 -0.07 -1.51 0.00 0.00 179.97 179.39 3h1c h LEU 531 N 0.10 0.00 -0.43 3.80 4.07 -1.32 0.21 115.31 121.74 3h1c h LEU 531 Ca -0.08 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.72 3h1c h LEU 531 Cb 1.38 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.12 3h1c h LEU 531 CO 0.14 0.20 -0.40 -0.74 -1.08 0.00 0.00 178.44 176.56 3h1c h HIS 532 N 0.00 1.06 -0.13 1.13 2.76 -1.53 -1.61 115.15 116.83 3h1c h HIS 532 Ca -0.00 -0.32 -0.21 0.00 -2.20 0.00 0.00 60.37 57.63 3h1c h HIS 532 Cb 0.48 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 29.23 3h1c h HIS 532 CO 0.00 1.13 -0.75 0.82 -1.30 0.00 0.00 177.93 177.83 3h1c h ILE 533 N 0.72 1.30 -0.17 6.26 2.04 -1.45 -3.19 117.51 123.01 3h1c h ILE 533 Ca 0.06 -1.97 -0.03 0.00 1.00 0.00 0.00 64.86 63.92 3h1c h ILE 533 Cb 0.99 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 3h1c h ILE 533 CO 0.10 0.62 -0.02 -0.07 0.00 0.00 0.00 178.15 178.77 3h1c h LEU 534 N 0.44 0.23 -0.65 1.44 3.38 -0.97 -0.43 115.31 118.75 3h1c h LEU 534 Ca -0.06 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3h1c h LEU 534 Cb 1.39 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3h1c h LEU 534 CO 0.15 0.29 0.02 1.23 0.09 0.00 0.00 178.44 180.23 3h1c h GLY 535 N 0.55 1.16 1.80 0.83 0.00 -1.31 -1.34 103.07 104.77 3h1c h GLY 535 Ca 0.06 -0.83 -0.20 0.00 0.00 0.00 0.00 47.33 46.36 3h1c h GLY 535 CO 0.01 0.77 -0.87 -2.08 0.00 0.00 0.00 176.54 174.36 3h1c h VAL 536 N 0.99 1.50 -0.10 4.60 2.07 -1.45 -2.98 116.25 120.89 3h1c h VAL 536 Ca 0.18 -2.64 -0.08 0.00 0.82 0.00 0.00 66.70 64.97 3h1c h VAL 536 Cb 0.53 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3h1c h VAL 536 CO 0.03 0.77 -0.32 0.24 0.02 0.00 0.00 177.57 178.30 3h1c h MET 537 N 0.10 0.19 0.00 1.57 2.07 -0.96 -2.68 114.93 115.22 3h1c h MET 537 Ca -0.04 -0.07 -0.01 0.00 -2.07 0.00 0.00 59.70 57.50 3h1c h MET 537 Cb 1.50 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 31.22 3h1c h MET 537 CO 0.13 0.50 -0.07 0.93 1.07 0.00 0.00 176.91 179.47 3h1c h GLU 538 N 0.17 0.00 -0.01 1.72 5.08 -1.22 -3.23 114.58 117.09 3h1c h GLU 538 Ca 0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3h1c h GLU 538 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3h1c h GLU 538 CO 0.05 0.07 -0.49 1.96 -1.00 0.00 0.00 179.01 179.60 3h1c h GLN 539 N 0.00 0.02 0.00 2.33 4.20 -1.32 -3.37 115.11 116.98 3h1c h GLN 539 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3h1c h GLN 539 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3h1c h GLN 539 CO 0.01 0.51 0.00 0.00 -0.67 0.00 0.00 178.83 178.68 3h1c n ALA 540 N -2.45 -0.03 -2.37 3.87 0.00 -1.22 -4.94 120.51 113.37 3h1c n ALA 540 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 3h1c n ALA 540 Cb 0.51 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.80 3h1c n ALA 540 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3h1c s ILE 541 N -0.78 1.94 -0.25 0.00 2.07 -1.23 -5.04 121.20 117.91 3h1c s ILE 541 Ca 0.00 -1.05 0.01 0.00 -1.41 0.00 0.00 60.65 58.20 3h1c s ILE 541 Cb 0.00 -1.61 -0.16 0.00 0.13 0.00 0.00 42.46 40.82 3h1c s ILE 541 CO 0.00 0.55 -0.23 0.59 -1.91 0.00 0.00 174.94 173.94 3h1c n ASN 542 N 2.51 2.06 -3.81 4.50 3.02 -1.26 -4.39 115.26 117.89 3h1c n ASN 542 Ca -0.16 -0.10 -0.12 0.00 -0.03 0.00 0.00 54.58 54.16 3h1c n ASN 542 Cb 0.52 -0.42 -0.12 0.00 -0.61 0.00 0.00 39.78 39.15 3h1c n ASN 542 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1c s ALA 543 N -2.50 -0.47 -2.00 5.41 0.00 -1.26 -5.03 121.76 115.91 3h1c s ALA 543 Ca -0.34 0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.15 3h1c s ALA 543 Cb 0.09 -0.25 0.47 0.00 0.00 0.00 0.00 23.12 23.43 3h1c s ALA 543 CO 0.57 -0.11 0.92 -2.30 0.00 0.00 0.00 175.76 174.83