#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 4.26 -0.15 -0.89 1.43 -1.26 -5.05 118.68 117.03 3h1c s LEU 2 Ca 0.00 1.38 -0.00 0.00 -1.03 0.00 0.00 54.13 54.48 3h1c s LEU 2 Cb 0.00 -3.37 0.03 0.00 0.03 0.00 0.00 46.19 42.89 3h1c s LEU 2 CO 0.00 -0.33 -0.07 0.20 0.23 0.00 0.00 176.35 176.38 3h1c s ASN 3 N 1.04 2.63 0.50 2.29 0.01 -1.26 -5.08 114.94 115.06 3h1c s ASN 3 Ca 0.44 -0.53 -0.07 0.00 -0.71 0.00 0.00 52.86 51.98 3h1c s ASN 3 Cb -0.18 -0.94 -0.04 0.00 0.41 0.00 0.00 41.25 40.50 3h1c s ASN 3 CO 0.18 -0.14 0.84 -2.16 -1.51 0.00 0.00 177.10 174.31 3h1c s PRO 4 N 1.63 3.59 -0.35 -0.60 0.04 -1.26 -4.57 135.00 133.47 3h1c s PRO 4 Ca 0.03 0.36 -0.04 0.00 0.04 0.00 0.00 61.00 61.38 3h1c s PRO 4 Cb -0.14 -2.31 0.06 0.00 0.04 0.00 0.00 34.50 32.15 3h1c s PRO 4 CO -0.08 -0.26 0.10 0.42 0.04 0.00 0.00 177.00 177.22 3h1c s ILE 5 N -2.78 3.39 -0.06 0.56 -1.09 -0.64 -5.00 121.20 115.58 3h1c s ILE 5 Ca 0.50 -1.48 0.03 0.00 -2.23 0.00 0.00 60.65 57.46 3h1c s ILE 5 Cb -0.10 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 3h1c s ILE 5 CO 0.45 -0.31 -0.12 0.54 -1.23 0.00 0.00 174.94 174.27 3h1c s VAL 6 N 1.28 3.22 -0.04 2.92 0.11 -1.26 -2.34 120.40 124.29 3h1c s VAL 6 Ca -0.00 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 3h1c s VAL 6 Cb -0.21 -2.29 0.03 0.00 -1.53 0.00 0.00 36.38 32.38 3h1c s VAL 6 CO -0.00 0.59 -0.01 -0.60 -3.33 0.00 0.00 175.10 171.74 3h1c s ARG 7 N -0.64 0.50 -0.14 1.54 3.52 -0.66 -5.00 118.95 118.06 3h1c s ARG 7 Ca 0.10 0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.74 3h1c s ARG 7 Cb -0.11 -0.67 -0.00 0.00 -1.56 0.00 0.00 34.95 32.60 3h1c s ARG 7 CO 0.01 -0.15 -0.17 0.15 -0.81 0.00 0.00 175.30 174.33 3h1c s LYS 8 N 1.19 3.18 -0.01 5.12 1.02 -1.26 -1.29 119.74 127.69 3h1c s LYS 8 Ca -0.07 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.10 3h1c s LYS 8 Cb -0.14 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 3h1c s LYS 8 CO -0.02 0.05 0.10 -0.59 -0.92 0.00 0.00 175.35 173.97 3h1c s PHE 9 N 0.71 0.00 -0.02 3.18 -0.71 -0.53 -5.01 117.98 115.61 3h1c s PHE 9 Ca -0.08 -0.00 -0.30 0.00 -1.04 0.00 0.00 56.93 55.51 3h1c s PHE 9 Cb -0.16 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 3h1c s PHE 9 CO 0.01 -0.16 1.06 -0.65 -1.34 0.00 0.00 175.22 174.13 3h1c s GLN 10 N -0.73 4.48 -0.25 1.99 -1.52 -1.26 -1.10 119.66 121.26 3h1c s GLN 10 Ca -0.08 1.51 -0.04 0.00 -1.95 0.00 0.00 55.36 54.81 3h1c s GLN 10 Cb -0.05 -3.47 0.09 0.00 -0.22 0.00 0.00 33.01 29.36 3h1c s GLN 10 CO 0.00 -0.20 0.11 -0.47 -0.25 0.00 0.00 175.29 174.48 3h1c s TYR 11 N 1.39 0.57 0.00 0.91 5.04 -0.26 -4.94 117.35 120.06 3h1c s TYR 11 Ca 0.53 -0.87 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 3h1c s TYR 11 Cb -0.23 -0.98 0.00 0.00 0.35 0.00 0.00 41.96 41.10 3h1c s TYR 11 CO 0.25 -0.74 0.00 0.41 -1.34 0.00 0.00 175.55 174.13 3h1c n GLY 12 N 5.18 1.71 0.01 8.97 0.00 -1.26 -2.65 105.19 117.16 3h1c n GLY 12 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 2.56 -4.45 1.61 1.13 -1.26 -5.06 117.38 111.90 3h1c n GLN 13 Ca 0.00 -1.51 -0.22 0.00 -1.94 0.00 0.00 57.00 53.33 3h1c n GLN 13 Cb 0.00 -1.00 -0.10 0.00 0.11 0.00 0.00 30.24 29.25 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 -1.08 2.07 -0.42 1.08 3.76 -1.08 -5.12 115.29 114.50 3h1c s HIS 14 Ca 0.03 -0.60 -0.01 0.00 -0.15 0.00 0.00 55.06 54.33 3h1c s HIS 14 Cb 0.03 -1.13 0.11 0.00 1.11 0.00 0.00 32.58 32.70 3h1c s HIS 14 CO 0.00 0.41 0.19 0.99 -0.85 0.00 0.00 174.74 175.49 3h1c s THR 15 N -2.85 3.07 0.05 1.30 2.01 -1.26 -1.10 115.64 116.86 3h1c s THR 15 Ca 0.29 -2.24 -0.30 0.00 0.31 0.00 0.00 61.69 59.75 3h1c s THR 15 Cb 0.02 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 3h1c s THR 15 CO 0.13 -0.69 1.17 -0.69 -0.69 0.00 0.00 174.62 173.85 3h1c s VAL 16 N 0.93 4.14 -0.10 3.82 1.01 -0.26 -3.65 120.40 126.29 3h1c s VAL 16 Ca 0.10 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.65 3h1c s VAL 16 Cb -0.22 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3h1c s VAL 16 CO -0.05 0.12 -0.22 -0.89 0.00 0.00 0.00 175.10 174.06 3h1c s THR 17 N 1.08 1.96 -0.14 3.92 2.01 -0.54 -1.45 115.64 122.47 3h1c s THR 17 Ca 0.58 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.64 3h1c s THR 17 Cb -0.28 -1.71 0.02 0.00 0.01 0.00 0.00 72.50 70.54 3h1c s THR 17 CO 0.29 0.54 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.81 3h1c s LEU 18 N 0.48 1.94 -0.06 4.42 1.43 -0.41 -2.34 118.68 124.15 3h1c s LEU 18 Ca -0.16 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 3h1c s LEU 18 Cb -0.17 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 3h1c s LEU 18 CO 0.06 0.02 -0.19 -0.70 0.23 0.00 0.00 176.35 175.77 3h1c s GLU 19 N 1.09 2.07 0.00 1.70 2.12 -0.68 -1.65 118.70 123.36 3h1c s GLU 19 Ca -0.02 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 54.57 3h1c s GLU 19 Cb -0.14 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.51 3h1c s GLU 19 CO -0.06 0.23 0.13 -0.08 -0.54 0.00 0.00 175.26 174.94 3h1c s THR 20 N 0.13 0.08 0.00 -1.70 -1.32 -0.99 0.24 115.64 112.09 3h1c s THR 20 Ca -0.07 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 3h1c s THR 20 Cb -0.13 -0.41 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 3h1c s THR 20 CO 0.04 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 3h1c n GLY 21 N 1.53 1.09 0.06 6.08 0.00 -1.26 -1.62 105.19 111.07 3h1c n GLY 21 Ca -0.22 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.38 -2.74 1.61 0.00 -1.26 -4.80 117.12 110.31 3h1c n MET 22 Ca 0.00 0.48 -0.41 0.00 0.00 0.00 0.00 57.70 57.78 3h1c n MET 22 Cb 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 33.22 31.62 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 -2.06 4.75 -0.61 2.12 -1.94 -1.26 -4.31 119.30 115.99 3h1c s MET 23 Ca -0.13 1.46 -0.14 0.00 -1.71 0.00 0.00 55.69 55.18 3h1c s MET 23 Cb 0.02 -3.34 0.02 0.00 2.01 0.00 0.00 34.83 33.54 3h1c s MET 23 CO 0.19 0.33 0.64 0.00 -0.01 0.00 0.00 175.02 176.17 3h1c n ALA 24 N 2.31 -2.66 0.16 3.03 0.00 -1.26 -4.70 120.51 117.40 3h1c n ALA 24 Ca 0.01 0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.83 3h1c n ALA 24 Cb 0.48 -2.06 0.08 0.00 0.00 0.00 0.00 19.45 17.95 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 1.06 0.00 -0.03 0.00 3.08 -1.87 -3.33 114.38 113.28 3h1c h ARG 25 Ca -0.30 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.58 3h1c h ARG 25 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 3h1c h ARG 25 CO 0.28 0.20 -0.72 0.37 -1.07 0.00 0.00 179.97 179.02 3h1c h GLN 26 N 0.00 0.19 -7.36 0.04 4.15 -1.96 -3.44 115.11 106.73 3h1c h GLN 26 Ca -0.01 -0.17 -0.48 0.00 0.77 0.00 0.00 58.65 58.76 3h1c h GLN 26 Cb 1.18 0.04 0.14 0.00 0.21 0.00 0.00 27.48 29.04 3h1c h GLN 26 CO 0.03 0.83 0.27 0.00 -1.93 0.00 0.00 178.83 178.03 3h1c s ALA 27 N -3.51 1.74 0.16 3.38 0.00 -1.25 -4.96 121.76 117.32 3h1c s ALA 27 Ca -0.03 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.69 3h1c s ALA 27 Cb 0.11 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.12 3h1c s ALA 27 CO 0.81 -2.19 1.70 1.15 0.00 0.00 0.00 175.76 177.23 3h1c h THR 28 N -1.43 1.23 -2.46 0.00 2.02 -1.85 -3.45 112.91 106.97 3h1c h THR 28 Ca -0.49 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 65.88 3h1c h THR 28 Cb 1.28 0.69 -0.22 0.00 -1.74 0.00 0.00 68.15 68.17 3h1c h THR 28 CO 0.56 0.27 -0.07 0.00 0.37 0.00 0.00 175.52 176.66 3h1c s ALA 29 N -5.49 -1.31 -0.14 6.16 0.00 -0.92 -4.63 121.76 115.42 3h1c s ALA 29 Ca -0.13 1.27 -0.05 0.00 0.00 0.00 0.00 51.96 53.05 3h1c s ALA 29 Cb 0.12 -0.55 0.07 0.00 0.00 0.00 0.00 23.12 22.76 3h1c s ALA 29 CO 0.79 -0.28 0.27 0.00 0.00 0.00 0.00 175.76 176.55 3h1c s ALA 30 N -0.27 -0.59 -0.10 0.00 0.00 -1.26 -1.46 121.76 118.07 3h1c s ALA 30 Ca -0.04 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.87 3h1c s ALA 30 Cb -0.03 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.02 3h1c s ALA 30 CO 0.03 -0.70 -0.20 0.08 0.00 0.00 0.00 175.76 174.97 3h1c s VAL 31 N 2.43 1.78 -0.48 0.00 1.01 -0.79 -4.19 120.40 120.17 3h1c s VAL 31 Ca 0.02 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 3h1c s VAL 31 Cb -0.12 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.72 3h1c s VAL 31 CO -0.09 0.50 0.79 -0.32 0.00 0.00 0.00 175.10 175.98 3h1c s MET 32 N 0.60 3.35 -0.20 2.72 1.75 0.14 -2.60 119.30 125.06 3h1c s MET 32 Ca -0.14 -0.24 -0.02 0.00 -1.25 0.00 0.00 55.69 54.04 3h1c s MET 32 Cb -0.17 -3.98 -0.00 0.00 2.84 0.00 0.00 34.83 33.52 3h1c s MET 32 CO 0.04 -1.20 -0.09 0.08 -0.65 0.00 0.00 175.02 173.20 3h1c s VAL 33 N 3.34 3.00 -0.21 10.11 1.01 -1.21 -1.68 120.40 134.75 3h1c s VAL 33 Ca 0.28 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 3h1c s VAL 33 Cb -0.13 -2.33 0.09 0.00 0.00 0.00 0.00 36.38 34.00 3h1c s VAL 33 CO 0.21 0.46 0.48 -0.94 0.00 0.00 0.00 175.10 175.31 3h1c s SER 34 N 1.33 -0.55 -0.31 3.32 1.04 -0.99 -1.12 113.70 116.43 3h1c s SER 34 Ca 0.04 1.11 0.02 0.00 0.48 0.00 0.00 55.95 57.60 3h1c s SER 34 Cb -0.14 1.31 0.08 0.00 0.10 0.00 0.00 66.02 67.37 3h1c s SER 34 CO -0.05 -0.22 -0.00 0.00 0.98 0.00 0.00 173.24 173.95 3h1c s MET 35 N 2.16 1.96 -0.59 4.02 0.23 -1.22 -1.47 119.30 124.39 3h1c s MET 35 Ca -0.06 -1.58 -0.01 0.00 -1.03 0.00 0.00 55.69 53.01 3h1c s MET 35 Cb -0.10 -3.12 -0.01 0.00 -1.53 0.00 0.00 34.83 30.07 3h1c s MET 35 CO -0.15 -0.77 0.55 -0.40 -2.03 0.00 0.00 175.02 172.23 3h1c n ASP 36 N 4.41 -6.25 0.00 -1.18 5.75 -1.24 -4.29 116.55 113.74 3h1c n ASP 36 Ca -0.06 -0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 3h1c n ASP 36 Cb 0.42 -4.23 0.00 0.00 -1.03 0.00 0.00 41.12 36.28 3h1c n ASP 36 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3h1c n ASP 37 N -1.76 0.00 -4.57 -1.12 8.00 -1.26 -4.81 116.55 111.02 3h1c n ASP 37 Ca -0.01 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.16 3h1c n ASP 37 Cb 0.51 -1.99 -0.11 0.00 -0.02 0.00 0.00 41.12 39.52 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 -1.55 3.58 -0.05 -3.53 2.01 -1.26 -3.95 115.64 110.88 3h1c s THR 38 Ca 0.00 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 3h1c s THR 38 Cb 0.00 -2.51 0.03 0.00 0.01 0.00 0.00 72.50 70.03 3h1c s THR 38 CO 0.00 0.48 0.11 0.00 -0.69 0.00 0.00 174.62 174.52 3h1c s ALA 39 N -0.90 -0.17 -0.27 7.40 0.00 0.32 -3.38 121.76 124.76 3h1c s ALA 39 Ca 0.15 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.66 3h1c s ALA 39 Cb -0.11 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.72 3h1c s ALA 39 CO 0.05 -0.13 -0.09 0.08 0.00 0.00 0.00 175.76 175.67 3h1c s VAL 40 N 0.98 2.13 -0.53 0.00 1.01 -0.27 -1.32 120.40 122.39 3h1c s VAL 40 Ca -0.08 -1.67 -0.28 0.00 0.00 0.00 0.00 61.98 59.96 3h1c s VAL 40 Cb -0.10 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3h1c s VAL 40 CO -0.04 -0.09 1.10 0.12 0.00 0.00 0.00 175.10 176.19 3h1c s PHE 41 N 1.11 2.74 -0.16 5.22 5.36 0.87 -3.34 117.98 129.78 3h1c s PHE 41 Ca -0.07 0.44 -0.04 0.00 -0.96 0.00 0.00 56.93 56.30 3h1c s PHE 41 Cb -0.20 -4.36 -0.03 0.00 -0.34 0.00 0.00 43.02 38.09 3h1c s PHE 41 CO -0.05 -1.39 -0.03 0.08 -1.46 0.00 0.00 175.22 172.36 3h1c s VAL 42 N 4.50 3.93 -0.05 3.12 1.01 -1.07 -1.55 120.40 130.30 3h1c s VAL 42 Ca 0.42 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.10 3h1c s VAL 42 Cb -0.08 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 3h1c s VAL 42 CO 0.27 0.49 -0.19 0.42 0.00 0.00 0.00 175.10 176.09 3h1c s THR 43 N 0.34 1.62 -0.17 3.92 -4.23 0.27 -1.88 115.64 115.51 3h1c s THR 43 Ca -0.04 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 3h1c s THR 43 Cb -0.14 -1.39 0.01 0.00 1.34 0.00 0.00 72.50 72.32 3h1c s THR 43 CO 0.03 0.46 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.69 3h1c s VAL 44 N 0.01 2.22 -0.28 2.29 1.01 -0.53 -0.39 120.40 124.73 3h1c s VAL 44 Ca -0.05 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 3h1c s VAL 44 Cb -0.13 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.36 3h1c s VAL 44 CO 0.03 0.53 -0.01 0.54 0.00 0.00 0.00 175.10 176.18 3h1c s VAL 45 N 1.16 3.04 0.21 2.92 0.11 -0.79 -2.18 120.40 124.87 3h1c s VAL 45 Ca 0.01 -1.19 0.04 0.00 -2.93 0.00 0.00 61.98 57.92 3h1c s VAL 45 Cb -0.14 -2.66 -0.03 0.00 -1.53 0.00 0.00 36.38 32.02 3h1c s VAL 45 CO -0.09 0.02 0.31 -0.83 -3.33 0.00 0.00 175.10 171.18 3h1c s GLY 46 N 1.30 1.42 0.01 6.54 0.00 -1.26 -2.74 107.32 112.59 3h1c s GLY 46 Ca -0.03 -1.18 0.04 0.00 0.00 0.00 0.00 44.72 43.56 3h1c s GLY 46 CO -0.02 -1.19 -0.10 1.20 0.00 0.00 0.00 173.10 172.99 3h1c s GLN 47 N -3.67 2.45 -0.07 2.90 -0.21 -1.21 -4.90 119.66 114.95 3h1c s GLN 47 Ca 0.34 -0.78 -0.22 0.00 0.02 0.00 0.00 55.36 54.72 3h1c s GLN 47 Cb -0.10 -2.43 -0.18 0.00 1.00 0.00 0.00 33.01 31.31 3h1c s GLN 47 CO 0.28 0.59 0.86 0.87 -2.12 0.00 0.00 175.29 175.78 3h1c h LYS 48 N 4.58 -0.12 -5.71 2.91 1.79 -2.00 -3.45 116.57 114.57 3h1c h LYS 48 Ca -0.48 0.01 -0.66 0.00 -2.18 0.00 0.00 60.65 57.33 3h1c h LYS 48 Cb 1.16 0.03 -0.21 0.00 -1.58 0.00 0.00 32.23 31.63 3h1c h LYS 48 CO 0.52 0.42 -0.69 -1.59 -1.08 0.00 0.00 179.45 177.03 3h1c s LYS 49 N -3.19 3.18 -0.13 3.15 -2.85 -1.26 -5.07 119.74 113.57 3h1c s LYS 49 Ca -0.14 -0.56 -0.04 0.00 -1.00 0.00 0.00 55.97 54.23 3h1c s LYS 49 Cb -0.00 -2.72 -0.04 0.00 -2.06 0.00 0.00 37.83 33.02 3h1c s LYS 49 CO 0.53 0.45 0.03 0.00 0.10 0.00 0.00 175.35 176.45 3h1c s ALA 50 N -0.22 3.34 0.24 0.59 0.00 -1.26 -4.92 121.76 119.53 3h1c s ALA 50 Ca 0.03 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 3h1c s ALA 50 Cb -0.13 -1.68 -0.14 0.00 0.00 0.00 0.00 23.12 21.16 3h1c s ALA 50 CO 0.03 0.40 0.31 1.17 0.00 0.00 0.00 175.76 177.67 3h1c n LYS 51 N 2.79 0.00 -0.08 0.00 3.00 -1.26 -4.72 118.16 117.90 3h1c n LYS 51 Ca -0.18 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.18 3h1c n LYS 51 Cb 0.53 -0.86 0.40 0.00 0.00 0.00 0.00 35.03 35.10 3h1c n LYS 51 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3h1c h PRO 52 N 0.65 0.61 0.00 1.64 0.13 -2.01 -3.25 132.00 129.77 3h1c h PRO 52 Ca -0.27 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3h1c h PRO 52 Cb 1.24 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3h1c h PRO 52 CO 0.46 0.40 -1.03 0.41 -0.23 0.00 0.00 178.00 178.01 3h1c n GLY 53 N -1.47 -0.49 3.23 1.56 0.00 -1.26 -5.05 105.19 101.70 3h1c n GLY 53 Ca 0.06 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 3h1c n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1c n GLN 54 N -1.58 -0.13 0.00 1.61 6.02 -1.23 -4.93 117.38 117.14 3h1c n GLN 54 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3h1c n GLN 54 Cb 0.29 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.09 3h1c n GLN 54 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3h1c n ASP 55 N 0.97 0.00 -4.62 1.08 2.03 -1.26 -5.06 116.55 109.68 3h1c n ASP 55 Ca 0.03 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.99 3h1c n ASP 55 Cb 0.54 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.84 3h1c n ASP 55 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3h1c s PHE 56 N -0.04 3.19 -0.33 -0.67 -0.12 -1.26 -5.08 117.98 113.68 3h1c s PHE 56 Ca 0.00 0.03 -0.29 0.00 -0.05 0.00 0.00 56.93 56.62 3h1c s PHE 56 Cb 0.00 -1.98 -0.00 0.00 -0.63 0.00 0.00 43.02 40.41 3h1c s PHE 56 CO 0.00 0.21 1.42 0.12 -0.05 0.00 0.00 175.22 176.92 3h1c s PHE 57 N 0.01 2.44 -0.89 3.49 5.36 -1.26 -4.95 117.98 122.18 3h1c s PHE 57 Ca 0.04 0.73 -0.19 0.00 -0.96 0.00 0.00 56.93 56.56 3h1c s PHE 57 Cb -0.13 -4.07 0.13 0.00 -0.34 0.00 0.00 43.02 38.62 3h1c s PHE 57 CO 0.01 -2.08 1.06 -1.25 -1.46 0.00 0.00 175.22 171.51 3h1c s PRO 58 N 4.59 3.54 -0.21 10.12 0.04 -1.26 -4.99 135.00 146.82 3h1c s PRO 58 Ca 0.62 -1.74 -0.04 0.00 0.04 0.00 0.00 61.00 59.88 3h1c s PRO 58 Cb -0.17 -4.80 -0.01 0.00 0.04 0.00 0.00 34.50 29.56 3h1c s PRO 58 CO 0.28 -1.72 -0.04 -1.17 0.04 0.00 0.00 177.00 174.39 3h1c s LEU 59 N 2.56 2.95 -0.11 -3.56 2.96 -1.26 -2.99 118.68 119.23 3h1c s LEU 59 Ca 0.30 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3h1c s LEU 59 Cb -0.07 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.88 3h1c s LEU 59 CO -0.07 0.00 -0.16 0.28 -1.32 0.00 0.00 176.35 175.08 3h1c s THR 60 N 1.35 1.55 -0.21 3.68 -1.32 -1.17 -5.07 115.64 114.46 3h1c s THR 60 Ca 0.04 -0.69 -0.03 0.00 -1.21 0.00 0.00 61.69 59.81 3h1c s THR 60 Cb -0.14 -1.41 -0.00 0.00 -1.51 0.00 0.00 72.50 69.44 3h1c s THR 60 CO -0.02 0.45 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.08 3h1c s VAL 61 N 0.88 3.10 -0.27 5.08 1.01 -1.26 -1.41 120.40 127.53 3h1c s VAL 61 Ca -0.09 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 3h1c s VAL 61 Cb -0.15 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 3h1c s VAL 61 CO -0.00 0.45 0.05 0.20 0.00 0.00 0.00 175.10 175.80 3h1c s ASN 62 N 1.40 4.96 -0.28 3.32 0.01 0.21 -4.86 114.94 119.69 3h1c s ASN 62 Ca 0.05 -0.56 -0.02 0.00 -0.71 0.00 0.00 52.86 51.62 3h1c s ASN 62 Cb -0.14 -1.86 0.04 0.00 0.41 0.00 0.00 41.25 39.70 3h1c s ASN 62 CO -0.05 -0.13 -0.02 -0.47 -1.51 0.00 0.00 177.10 174.93 3h1c s TYR 63 N 1.51 3.17 -0.11 2.20 5.04 -1.26 -0.74 117.35 127.17 3h1c s TYR 63 Ca 0.04 -1.67 -0.01 0.00 -2.44 0.00 0.00 57.07 52.99 3h1c s TYR 63 Cb -0.16 -2.10 0.03 0.00 0.35 0.00 0.00 41.96 40.08 3h1c s TYR 63 CO 0.01 -0.76 -0.02 1.14 -1.34 0.00 0.00 175.55 174.59 3h1c s GLN 64 N 1.30 0.94 -0.22 4.97 -2.07 -0.93 -4.70 119.66 118.96 3h1c s GLN 64 Ca -0.02 -0.14 -0.14 0.00 -1.82 0.00 0.00 55.36 53.23 3h1c s GLN 64 Cb -0.18 -1.43 -0.04 0.00 -1.09 0.00 0.00 33.01 30.27 3h1c s GLN 64 CO -0.02 -0.36 0.33 -1.21 -1.32 0.00 0.00 175.29 172.71 3h1c s GLU 65 N 1.85 4.13 0.11 9.60 2.02 -1.26 -2.51 118.70 132.64 3h1c s GLU 65 Ca 0.04 0.06 -0.22 0.00 0.02 0.00 0.00 54.97 54.86 3h1c s GLU 65 Cb -0.13 -3.55 -0.07 0.00 0.10 0.00 0.00 34.13 30.47 3h1c s GLU 65 CO -0.07 -0.04 0.67 1.03 0.02 0.00 0.00 175.26 176.88 3h1c s ARG 66 N 1.32 4.38 0.42 1.61 1.81 -1.15 -4.95 118.95 122.39 3h1c s ARG 66 Ca 0.15 0.94 0.23 0.00 -1.72 0.00 0.00 55.73 55.34 3h1c s ARG 66 Cb -0.14 -3.26 0.64 0.00 -0.45 0.00 0.00 34.95 31.74 3h1c s ARG 66 CO 0.07 0.59 1.71 1.79 -0.68 0.00 0.00 175.30 178.78 3h1c h THR 67 N 3.47 0.43 0.00 0.02 1.35 -1.89 -3.02 112.91 113.26 3h1c h THR 67 Ca -0.48 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 3h1c h THR 67 Cb 1.21 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 3h1c h THR 67 CO 0.65 0.21 0.00 0.00 -0.25 0.00 0.00 175.52 176.13 3h1c n TYR 68 N -3.24 0.00 -0.16 4.73 4.11 -1.25 -2.36 117.16 118.98 3h1c n TYR 68 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.85 3h1c n TYR 68 Cb 0.51 -0.33 0.09 0.00 -0.00 0.00 0.00 39.34 39.61 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 2.98 0.97 0.00 -3.48 0.00 -1.66 -2.88 119.26 115.18 3h1c h ALA 69 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3h1c h ALA 69 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h1c h ALA 69 CO 0.00 0.63 -0.93 0.00 0.00 0.00 0.00 179.25 178.95 3h1c n ALA 70 N -2.48 3.59 -1.21 0.00 0.00 -1.22 -2.86 120.51 116.34 3h1c n ALA 70 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3h1c n ALA 70 Cb 0.33 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.41 0.47 2.93 0.00 0.00 -1.09 -5.07 105.19 103.84 3h1c n GLY 71 Ca 0.03 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.04 0.33 -0.12 1.61 0.52 -1.00 -5.02 118.95 113.23 3h1c s ARG 72 Ca 0.00 -0.13 -0.23 0.00 -0.52 0.00 0.00 55.73 54.84 3h1c s ARG 72 Cb 0.00 -0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.12 3h1c s ARG 72 CO 0.00 0.08 0.71 0.42 0.02 0.00 0.00 175.30 176.53 3h1c s ILE 73 N -0.04 5.00 0.27 1.52 1.01 -1.26 -3.91 121.20 123.79 3h1c s ILE 73 Ca 0.01 1.43 -0.28 0.00 0.00 0.00 0.00 60.65 61.81 3h1c s ILE 73 Cb -0.02 -4.04 -0.15 0.00 0.01 0.00 0.00 42.46 38.26 3h1c s ILE 73 CO -0.00 0.16 0.82 -2.65 0.00 0.00 0.00 174.94 173.27 3h1c n PRO 74 N 4.43 0.85 0.00 2.79 -0.02 -1.26 -4.88 135.00 136.91 3h1c n PRO 74 Ca 0.00 0.30 0.15 0.00 -2.02 0.00 0.00 63.50 61.93 3h1c n PRO 74 Cb 0.50 -1.54 0.82 0.00 -0.02 0.00 0.00 33.50 33.27 3h1c n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1c n GLY 75 N 1.51 -1.08 3.80 -1.23 0.00 -1.26 -4.67 105.19 102.26 3h1c n GLY 75 Ca 0.13 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.29 4.69 0.24 1.61 1.04 -1.26 -4.98 113.70 112.74 3h1c s SER 76 Ca 0.37 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.24 3h1c s SER 76 Cb 0.21 -2.20 0.26 0.00 0.10 0.00 0.00 66.02 64.38 3h1c s SER 76 CO 0.42 -1.86 1.61 0.15 0.98 0.00 0.00 173.24 174.54 3h1c h PHE 77 N -1.01 0.60 0.00 5.02 3.04 -1.96 -2.83 116.94 119.80 3h1c h PHE 77 Ca -0.46 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 61.32 3h1c h PHE 77 Cb 1.25 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.63 3h1c h PHE 77 CO 0.51 0.83 -0.07 1.19 -2.02 0.00 0.00 178.31 178.75 3h1c n PHE 78 N -4.03 0.60 -3.61 0.41 3.01 -1.26 -4.96 117.46 107.62 3h1c n PHE 78 Ca -0.02 0.17 -0.23 0.00 1.01 0.00 0.00 57.45 58.39 3h1c n PHE 78 Cb 0.51 -0.77 0.07 0.00 -0.01 0.00 0.00 39.48 39.28 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 -2.00 -6.83 -3.81 -1.08 5.12 -1.07 -5.01 116.66 101.98 3h1c n ARG 79 Ca 0.06 0.77 -0.11 0.00 -1.93 0.00 0.00 57.85 56.64 3h1c n ARG 79 Cb 0.40 -5.73 -0.08 0.00 -1.16 0.00 0.00 32.46 25.89 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 -6.05 0.76 -0.31 5.56 3.52 -1.26 -4.68 118.95 116.49 3h1c s ARG 80 Ca 0.36 -0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 55.29 3h1c s ARG 80 Cb -0.16 0.32 -0.06 0.00 -1.56 0.00 0.00 34.95 33.48 3h1c s ARG 80 CO 0.76 -0.23 3.09 0.39 -0.81 0.00 0.00 175.30 178.49 3h1c n GLU 81 N 0.54 2.31 0.00 5.12 4.71 -1.26 -4.90 120.64 127.15 3h1c n GLU 81 Ca -0.18 -1.87 0.00 0.00 -0.01 0.00 0.00 57.16 55.10 3h1c n GLU 81 Cb 0.60 -2.11 0.00 0.00 -1.01 0.00 0.00 31.44 28.92 3h1c n GLU 81 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3h1c n GLY 82 N 1.52 -2.30 1.10 0.62 0.00 -1.26 -4.77 105.19 100.10 3h1c n GLY 82 Ca 0.47 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 3h1c n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1c n ARG 83 N 0.00 0.00 -0.38 1.61 1.74 -1.26 -4.88 116.66 113.49 3h1c n ARG 83 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 3h1c n ARG 83 Cb 0.00 -0.33 0.19 0.00 -1.02 0.00 0.00 32.46 31.30 3h1c n ARG 83 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3h1c n PRO 84 N 0.41 -3.33 -1.34 5.56 -0.04 -1.26 -5.09 135.00 129.91 3h1c n PRO 84 Ca 0.04 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 3h1c n PRO 84 Cb 0.12 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3h1c n PRO 84 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3h1c n SER 85 N -4.64 1.42 0.03 3.54 3.41 -1.26 -5.04 113.62 111.09 3h1c n SER 85 Ca 0.10 -0.67 -0.11 0.00 -0.26 0.00 0.00 58.87 57.92 3h1c n SER 85 Cb 0.40 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 3h1c n SER 85 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3h1c h GLU 86 N 0.00 0.49 -0.12 4.33 4.81 -2.01 -3.19 114.58 118.89 3h1c h GLU 86 Ca 0.00 -0.39 -0.10 0.00 -0.13 0.00 0.00 59.36 58.73 3h1c h GLU 86 Cb 0.00 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3h1c h GLU 86 CO 0.00 1.03 -0.32 0.78 -0.73 0.00 0.00 179.01 179.77 3h1c h GLY 87 N 1.13 0.48 2.00 1.92 0.00 -2.01 -3.29 103.07 103.29 3h1c h GLY 87 Ca -0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 3h1c h GLY 87 CO 0.13 0.53 -0.12 0.83 0.00 0.00 0.00 176.54 177.92 3h1c h GLU 88 N 0.02 0.00 0.00 4.80 5.08 -1.87 -2.18 114.58 120.43 3h1c h GLU 88 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3h1c h GLU 88 Cb 0.93 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3h1c h GLU 88 CO 0.07 0.12 -0.61 1.15 -1.00 0.00 0.00 179.01 178.74 3h1c h THR 89 N 0.00 1.41 -0.42 1.13 2.02 -1.62 -2.57 112.91 112.86 3h1c h THR 89 Ca -0.00 -2.09 -0.13 0.00 0.77 0.00 0.00 66.41 64.96 3h1c h THR 89 Cb 0.22 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 3h1c h THR 89 CO 0.02 0.59 -0.23 -0.07 0.37 0.00 0.00 175.52 176.20 3h1c h LEU 90 N 0.00 0.93 -0.44 2.58 3.38 -1.46 -1.78 115.31 118.52 3h1c h LEU 90 Ca -0.01 -0.41 -0.18 0.00 0.09 0.00 0.00 57.88 57.38 3h1c h LEU 90 Cb 1.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3h1c h LEU 90 CO 0.08 1.14 -0.76 0.40 0.09 0.00 0.00 178.44 179.39 3h1c h ILE 91 N 0.73 1.44 -0.79 1.22 5.03 -1.59 -2.06 117.51 121.49 3h1c h ILE 91 Ca 0.09 -2.33 0.01 0.00 -0.12 0.00 0.00 64.86 62.51 3h1c h ILE 91 Cb 0.80 2.26 -0.04 0.00 -3.03 0.00 0.00 36.82 36.81 3h1c h ILE 91 CO 0.07 0.68 0.53 0.00 -0.68 0.00 0.00 178.15 178.75 3h1c h ALA 92 N 1.06 1.45 -0.02 1.87 0.00 -1.28 -1.34 119.26 121.00 3h1c h ALA 92 Ca -0.03 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 3h1c h ALA 92 Cb 1.33 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3h1c h ALA 92 CO 0.12 0.51 -0.82 0.00 0.00 0.00 0.00 179.25 179.06 3h1c h ARG 93 N 1.06 0.23 0.00 0.00 3.08 -1.29 -2.68 114.38 114.78 3h1c h ARG 93 Ca 0.29 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3h1c h ARG 93 Cb -0.10 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3h1c h ARG 93 CO -0.07 0.93 -0.04 1.25 -1.07 0.00 0.00 179.97 180.97 3h1c h LEU 94 N 0.14 0.00 0.05 3.04 5.85 -0.54 -0.82 115.31 123.03 3h1c h LEU 94 Ca -0.04 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.33 3h1c h LEU 94 Cb 1.42 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 3h1c h LEU 94 CO 0.13 0.04 -2.09 -0.38 -0.34 0.00 0.00 178.44 175.80 3h1c n ILE 95 N -3.22 1.63 0.02 4.05 5.41 -0.61 -4.49 119.36 122.15 3h1c n ILE 95 Ca -0.01 -0.69 -0.10 0.00 1.00 0.00 0.00 62.75 62.95 3h1c n ILE 95 Cb 0.25 -1.35 0.04 0.00 -0.71 0.00 0.00 39.64 37.87 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 0.03 0.58 -0.14 4.38 3.58 -1.11 -3.33 116.42 120.41 3h1c h ASP 96 Ca -0.44 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 56.67 3h1c h ASP 96 Cb 2.03 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.90 3h1c h ASP 96 CO 0.04 1.06 0.06 0.03 -2.88 0.00 0.00 179.24 177.54 3h1c h ARG 97 N 0.37 0.20 0.00 0.28 3.08 -1.38 -3.10 114.38 113.83 3h1c h ARG 97 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3h1c h ARG 97 Cb 1.18 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3h1c h ARG 97 CO 0.11 0.29 0.00 -1.00 -1.07 0.00 0.00 179.97 178.30 3h1c h PRO 98 N 0.07 0.00 0.00 0.04 0.13 -1.80 -3.36 132.00 127.08 3h1c h PRO 98 Ca 0.05 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.90 3h1c h PRO 98 Cb 0.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.25 3h1c h PRO 98 CO -0.00 0.00 -1.59 -0.84 -0.23 0.00 0.00 178.00 175.33 3h1c h ILE 99 N 0.00 0.95 -0.32 -3.56 3.07 -1.66 -3.39 117.51 112.60 3h1c h ILE 99 Ca 0.00 -2.77 -0.02 0.00 1.55 0.00 0.00 64.86 63.63 3h1c h ILE 99 Cb 0.82 2.46 -0.01 0.00 -0.27 0.00 0.00 36.82 39.81 3h1c h ILE 99 CO 0.00 0.54 0.13 0.03 -1.05 0.00 0.00 178.15 177.80 3h1c h ARG 100 N 0.00 0.47 0.00 0.16 3.08 -1.68 -2.99 114.38 113.41 3h1c h ARG 100 Ca -0.24 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 3h1c h ARG 100 Cb 1.96 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.93 3h1c h ARG 100 CO 0.08 0.47 -0.02 -1.35 -1.07 0.00 0.00 179.97 178.09 3h1c h PRO 101 N 0.36 0.00 0.00 0.04 0.11 -1.78 -2.17 132.00 128.57 3h1c h PRO 101 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3h1c h PRO 101 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3h1c h PRO 101 CO -0.01 0.02 0.00 -0.07 -0.21 0.00 0.00 178.00 177.73 3h1c h LEU 102 N 0.00 0.00 -9.69 2.35 3.38 -1.74 -3.45 115.31 106.17 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 0.08 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.87 3h1c h LEU 102 CO 0.00 0.00 0.73 -0.36 0.09 0.00 0.00 178.44 178.90 3h1c s PHE 103 N -3.29 3.13 0.64 1.13 0.40 -0.82 -2.68 117.98 116.49 3h1c s PHE 103 Ca 0.06 1.05 -0.18 0.00 -0.60 0.00 0.00 56.93 57.26 3h1c s PHE 103 Cb 0.06 -3.74 -0.02 0.00 0.51 0.00 0.00 43.02 39.84 3h1c s PHE 103 CO 0.63 -2.44 1.27 -1.25 0.70 0.00 0.00 175.22 174.13 3h1c s PRO 104 N 0.01 2.65 -0.22 0.24 0.04 -1.26 -4.92 135.00 131.53 3h1c s PRO 104 Ca 0.60 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 63.35 3h1c s PRO 104 Cb -0.40 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 3h1c s PRO 104 CO 0.39 -1.51 1.57 -2.00 0.04 0.00 0.00 177.00 175.49 3h1c s GLU 105 N -3.38 3.83 0.00 4.56 2.12 -1.26 -2.57 118.70 122.00 3h1c s GLU 105 Ca 0.81 1.62 0.00 0.00 0.36 0.00 0.00 54.97 57.77 3h1c s GLU 105 Cb -0.36 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.03 3h1c s GLU 105 CO 0.38 -1.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.27 3h1c n GLY 106 N 4.57 0.94 3.65 -1.50 0.00 -1.26 -4.91 105.19 106.68 3h1c n GLY 106 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 3.33 0.00 1.61 5.36 -1.06 -4.83 117.98 120.38 3h1c s PHE 107 Ca 0.00 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.05 3h1c s PHE 107 Cb 0.00 -2.99 0.00 0.00 -0.34 0.00 0.00 43.02 39.69 3h1c s PHE 107 CO 0.00 -0.34 0.49 0.28 -1.46 0.00 0.00 175.22 174.18 3h1c n VAL 108 N 5.12 0.06 -2.29 3.12 0.31 -1.26 -4.61 118.33 118.77 3h1c n VAL 108 Ca 0.04 -0.48 -0.41 0.00 -0.01 0.00 0.00 64.34 63.48 3h1c n VAL 108 Cb 0.48 1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 34.44 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 7.00 -0.05 4.52 0.01 -1.26 -4.52 114.94 120.57 3h1c s ASN 109 Ca 0.00 2.44 -0.30 0.00 -0.71 0.00 0.00 52.86 54.29 3h1c s ASN 109 Cb 0.00 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 3h1c s ASN 109 CO 0.00 -0.38 1.25 -0.70 -1.51 0.00 0.00 177.10 175.76 3h1c s GLU 110 N -1.17 4.33 -0.04 -0.60 2.12 -1.26 -4.64 118.70 117.44 3h1c s GLU 110 Ca 0.49 1.73 0.03 0.00 0.36 0.00 0.00 54.97 57.58 3h1c s GLU 110 Cb -0.36 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.46 3h1c s GLU 110 CO 0.44 -0.49 -0.12 0.14 -0.54 0.00 0.00 175.26 174.69 3h1c s VAL 111 N 2.35 1.04 -0.10 3.70 -7.23 -1.16 -3.30 120.40 115.71 3h1c s VAL 111 Ca 0.57 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 60.29 3h1c s VAL 111 Cb -0.26 -0.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.76 3h1c s VAL 111 CO 0.22 0.32 -0.24 -1.58 -0.31 0.00 0.00 175.10 173.51 3h1c s GLN 112 N 0.22 2.96 -0.37 4.82 0.74 -1.11 -3.04 119.66 123.88 3h1c s GLN 112 Ca -0.05 -0.86 -0.06 0.00 0.05 0.00 0.00 55.36 54.44 3h1c s GLN 112 Cb -0.11 -2.25 0.07 0.00 1.10 0.00 0.00 33.01 31.82 3h1c s GLN 112 CO 0.01 0.19 0.16 0.08 -0.55 0.00 0.00 175.29 175.18 3h1c s VAL 113 N 0.32 3.66 -0.42 1.34 1.01 -0.50 -1.88 120.40 123.93 3h1c s VAL 113 Ca -0.18 -1.49 -0.14 0.00 0.00 0.00 0.00 61.98 60.18 3h1c s VAL 113 Cb -0.18 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.01 3h1c s VAL 113 CO 0.08 -0.40 0.30 -0.63 0.00 0.00 0.00 175.10 174.46 3h1c s ILE 114 N 1.32 4.98 -0.32 2.22 1.09 0.47 -0.62 121.20 130.33 3h1c s ILE 114 Ca 0.02 -0.92 -0.05 0.00 -1.10 0.00 0.00 60.65 58.60 3h1c s ILE 114 Cb -0.21 -3.87 0.04 0.00 -1.06 0.00 0.00 42.46 37.36 3h1c s ILE 114 CO 0.00 -0.40 0.07 0.00 -0.10 0.00 0.00 174.94 174.51 3h1c s ALA 115 N 1.61 2.97 -0.12 9.38 0.00 0.08 -0.57 121.76 135.11 3h1c s ALA 115 Ca 0.04 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.27 3h1c s ALA 115 Cb -0.21 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 3h1c s ALA 115 CO 0.07 -1.30 -0.15 -0.08 0.00 0.00 0.00 175.76 174.30 3h1c s THR 116 N 1.36 2.86 -0.21 0.00 -1.32 -0.59 -2.20 115.64 115.54 3h1c s THR 116 Ca -0.03 -0.73 -0.26 0.00 -1.21 0.00 0.00 61.69 59.46 3h1c s THR 116 Cb -0.19 -2.18 -0.01 0.00 -1.51 0.00 0.00 72.50 68.61 3h1c s THR 116 CO 0.02 0.53 0.88 -0.69 -2.21 0.00 0.00 174.62 173.15 3h1c s VAL 117 N 0.31 4.82 -0.15 5.08 1.01 -1.04 -0.09 120.40 130.33 3h1c s VAL 117 Ca -0.12 1.71 0.14 0.00 0.00 0.00 0.00 61.98 63.71 3h1c s VAL 117 Cb -0.16 -4.17 -0.20 0.00 0.00 0.00 0.00 36.38 31.85 3h1c s VAL 117 CO 0.06 -0.06 0.07 0.55 0.00 0.00 0.00 175.10 175.72 3h1c n VAL 118 N 5.06 1.03 -3.90 2.92 3.14 -0.43 -2.95 118.33 123.19 3h1c n VAL 118 Ca 0.07 -0.66 -0.10 0.00 -2.96 0.00 0.00 64.34 60.69 3h1c n VAL 118 Cb 0.48 -0.54 -0.10 0.00 -1.06 0.00 0.00 33.84 32.62 3h1c n VAL 118 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3h1c s SER 119 N -4.90 0.10 -0.04 6.55 1.04 -1.18 -3.98 113.70 111.30 3h1c s SER 119 Ca -0.08 -0.36 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 3h1c s SER 119 Cb 0.05 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.39 3h1c s SER 119 CO 0.65 -0.43 0.10 0.54 0.98 0.00 0.00 173.24 175.09 3h1c s VAL 120 N -1.91 -0.01 -0.17 5.02 0.11 -1.13 -0.52 120.40 121.79 3h1c s VAL 120 Ca -0.11 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 58.90 3h1c s VAL 120 Cb -0.05 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 3h1c s VAL 120 CO -0.01 0.01 0.04 0.21 -3.33 0.00 0.00 175.10 172.01 3h1c s ASN 121 N 0.16 5.44 0.00 3.54 2.47 -1.26 -4.70 114.94 120.58 3h1c s ASN 121 Ca -0.01 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.32 3h1c s ASN 121 Cb -0.02 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 3h1c s ASN 121 CO -0.00 0.19 0.93 -2.65 -3.72 0.00 0.00 177.10 171.84 3h1c n PRO 122 N 3.41 0.00 -0.02 0.43 -0.02 -1.26 -1.57 135.00 135.97 3h1c n PRO 122 Ca -0.17 0.43 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 3h1c n PRO 122 Cb 0.52 -1.52 -0.11 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.43 0.72 -3.92 -0.52 1.13 -1.26 -4.64 117.38 107.46 3h1c n GLN 123 Ca 0.00 -0.11 -0.36 0.00 -1.94 0.00 0.00 57.00 54.60 3h1c n GLN 123 Cb 0.02 -1.35 -0.12 0.00 0.11 0.00 0.00 30.24 28.91 3h1c n GLN 123 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3h1c s VAL 124 N -2.87 4.15 -0.27 5.09 1.01 -0.61 -2.86 120.40 124.05 3h1c s VAL 124 Ca -0.06 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 3h1c s VAL 124 Cb 0.08 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3h1c s VAL 124 CO 0.59 0.39 0.96 0.21 0.00 0.00 0.00 175.10 177.26 3h1c s ASN 125 N 1.25 6.93 0.03 3.32 2.47 -1.26 -4.40 114.94 123.27 3h1c s ASN 125 Ca 0.04 1.11 0.09 0.00 0.42 0.00 0.00 52.86 54.53 3h1c s ASN 125 Cb -0.15 -2.50 0.40 0.00 -1.45 0.00 0.00 41.25 37.56 3h1c s ASN 125 CO 0.02 -0.67 1.29 -0.81 -3.72 0.00 0.00 177.10 173.21 3h1c n PRO 126 N 6.36 0.02 -0.18 0.43 -0.04 -1.26 -3.44 135.00 136.88 3h1c n PRO 126 Ca 0.09 0.38 -0.06 0.00 -0.04 0.00 0.00 63.50 63.88 3h1c n PRO 126 Cb 0.47 -1.54 0.11 0.00 -0.04 0.00 0.00 33.50 32.50 3h1c n PRO 126 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3h1c h ASP 127 N 0.00 0.91 1.37 3.54 2.03 -2.00 -1.04 116.42 121.24 3h1c h ASP 127 Ca 0.00 -0.20 -0.12 0.00 -0.73 0.00 0.00 57.03 55.98 3h1c h ASP 127 Cb 0.14 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.38 3h1c h ASP 127 CO 0.00 0.92 -0.64 0.16 -1.03 0.00 0.00 179.24 178.64 3h1c h ILE 128 N 0.91 0.84 -0.22 4.15 -0.00 -1.97 -3.14 117.51 118.08 3h1c h ILE 128 Ca 0.18 -2.23 -0.17 0.00 -0.00 0.00 0.00 64.86 62.65 3h1c h ILE 128 Cb 0.40 2.38 -0.00 0.00 -0.00 0.00 0.00 36.82 39.60 3h1c h ILE 128 CO 0.01 0.48 -0.56 0.58 -0.00 0.00 0.00 178.15 178.66 3h1c h VAL 129 N 0.00 1.30 -0.07 0.16 2.07 -1.66 -3.07 116.25 114.99 3h1c h VAL 129 Ca -0.03 -1.79 -0.12 0.00 0.82 0.00 0.00 66.70 65.59 3h1c h VAL 129 Cb 1.42 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3h1c h VAL 129 CO 0.06 0.57 -0.49 0.00 0.02 0.00 0.00 177.57 177.73 3h1c h ALA 130 N 0.85 1.04 -0.10 1.67 0.00 -1.24 -2.16 119.26 119.32 3h1c h ALA 130 Ca 0.01 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 3h1c h ALA 130 Cb 1.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3h1c h ALA 130 CO 0.11 0.64 -0.63 0.52 0.00 0.00 0.00 179.25 179.90 3h1c h MET 131 N 0.15 0.35 -0.16 0.00 2.86 -1.54 -2.14 114.93 114.45 3h1c h MET 131 Ca 0.01 -0.25 -0.16 0.00 -2.06 0.00 0.00 59.70 57.23 3h1c h MET 131 Cb 0.92 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 3h1c h MET 131 CO 0.07 0.87 -0.58 0.82 1.06 0.00 0.00 176.91 179.15 3h1c h ILE 132 N 0.26 1.33 -0.69 -1.22 2.04 -1.48 -2.68 117.51 115.07 3h1c h ILE 132 Ca -0.01 -1.85 -0.00 0.00 1.00 0.00 0.00 64.86 64.00 3h1c h ILE 132 Cb 1.16 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 39.04 3h1c h ILE 132 CO 0.10 0.57 0.42 1.23 0.00 0.00 0.00 178.15 180.47 3h1c h GLY 133 N 1.12 0.99 1.87 5.37 0.00 -1.14 -1.16 103.07 110.12 3h1c h GLY 133 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 3h1c h GLY 133 CO 0.11 0.40 -0.73 0.00 0.00 0.00 0.00 176.54 176.31 3h1c h ALA 134 N 1.22 0.75 -0.57 3.60 0.00 -1.45 -2.42 119.26 120.40 3h1c h ALA 134 Ca 0.25 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3h1c h ALA 134 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3h1c h ALA 134 CO -0.05 0.85 0.01 1.03 0.00 0.00 0.00 179.25 181.09 3h1c h SER 135 N 0.08 0.94 0.13 0.00 0.87 -1.10 -1.12 113.55 113.34 3h1c h SER 135 Ca -0.02 -0.25 -0.25 0.00 -1.23 0.00 0.00 61.79 60.05 3h1c h SER 135 Cb 1.29 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 63.01 3h1c h SER 135 CO 0.10 0.99 -0.98 0.00 -0.53 0.00 0.00 176.83 176.41 3h1c h ALA 136 N 1.11 0.24 -0.27 6.23 0.00 -1.24 -3.17 119.26 122.16 3h1c h ALA 136 Ca 0.17 -0.69 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 3h1c h ALA 136 Cb 0.51 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3h1c h ALA 136 CO 0.02 0.74 -0.52 0.00 0.00 0.00 0.00 179.25 179.50 3h1c h ALA 137 N 0.56 0.56 0.00 0.00 0.00 -1.33 -1.97 119.26 117.07 3h1c h ALA 137 Ca -0.10 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 3h1c h ALA 137 Cb 1.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3h1c h ALA 137 CO 0.18 0.68 -0.28 -0.07 0.00 0.00 0.00 179.25 179.77 3h1c h LEU 138 N 0.61 0.00 0.02 0.00 3.38 -1.33 -2.55 115.31 115.45 3h1c h LEU 138 Ca 0.02 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 3h1c h LEU 138 Cb 1.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3h1c h LEU 138 CO 0.11 0.28 -1.38 0.28 0.09 0.00 0.00 178.44 177.82 3h1c h SER 139 N 0.00 0.06 0.60 -0.43 0.02 -1.50 -3.34 113.55 108.96 3h1c h SER 139 Ca -0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3h1c h SER 139 Cb 0.81 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3h1c h SER 139 CO 0.04 1.07 -0.41 0.18 -1.14 0.00 0.00 176.83 176.57 3h1c n LEU 140 N -3.24 0.41 -0.03 5.07 4.77 -0.75 -4.21 117.00 119.02 3h1c n LEU 140 Ca -0.10 0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3h1c n LEU 140 Cb 1.00 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 3h1c n LEU 140 CO 0.47 0.10 0.34 0.77 -1.33 0.00 0.00 177.39 177.73 3h1c h SER 141 N 0.00 0.88 0.00 -1.43 4.64 -1.57 -3.00 113.55 113.08 3h1c h SER 141 Ca 0.00 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3h1c h SER 141 Cb 0.50 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3h1c h SER 141 CO 0.00 1.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.90 3h1c n GLY 142 N 0.55 2.46 3.72 -0.77 0.00 -1.26 -4.76 105.19 105.12 3h1c n GLY 142 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.62 2.42 -0.55 -0.61 1.01 -1.26 -0.71 121.20 118.87 3h1c s ILE 143 Ca 0.00 0.27 -0.36 0.00 0.00 0.00 0.00 60.65 60.56 3h1c s ILE 143 Cb 0.00 -3.17 -0.16 0.00 0.01 0.00 0.00 42.46 39.14 3h1c s ILE 143 CO 0.00 0.02 2.31 -0.81 0.00 0.00 0.00 174.94 176.46 3h1c n PRO 144 N 4.18 0.51 -3.68 2.79 -0.04 -1.26 -4.90 135.00 132.59 3h1c n PRO 144 Ca 0.15 0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 3h1c n PRO 144 Cb 0.37 -2.06 -0.15 0.00 -0.04 0.00 0.00 33.50 31.63 3h1c n PRO 144 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3h1c s PHE 145 N 7.80 -0.25 -0.31 0.54 5.36 -1.26 -4.46 117.98 125.40 3h1c s PHE 145 Ca 1.18 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 3h1c s PHE 145 Cb -1.07 -0.15 0.27 0.00 -0.34 0.00 0.00 43.02 41.74 3h1c s PHE 145 CO 0.52 -0.27 1.82 0.09 -1.46 0.00 0.00 175.22 175.92 3h1c n ASN 146 N 5.05 5.43 -1.27 6.13 3.02 -1.09 -4.88 115.26 127.65 3h1c n ASN 146 Ca -0.11 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.43 3h1c n ASN 146 Cb 0.50 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 0.03 1.42 3.95 7.41 0.00 -1.26 -4.99 105.19 111.75 3h1c n GLY 147 Ca 0.32 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 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 2.12 2.45 0.20 1.61 0.04 -1.26 -4.97 135.00 135.18 3h1c s PRO 148 Ca 0.00 -0.51 0.07 0.00 0.04 0.00 0.00 61.00 60.60 3h1c s PRO 148 Cb 0.00 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3h1c s PRO 148 CO 0.00 -0.91 0.06 0.96 0.04 0.00 0.00 177.00 177.15 3h1c s ILE 149 N -2.96 3.97 0.00 0.56 -4.36 -1.26 -4.36 121.20 112.78 3h1c s ILE 149 Ca 0.58 -1.43 0.04 0.00 -0.26 0.00 0.00 60.65 59.58 3h1c s ILE 149 Cb -0.10 -3.05 -0.03 0.00 1.25 0.00 0.00 42.46 40.52 3h1c s ILE 149 CO 0.41 -0.20 -0.10 -0.83 0.24 0.00 0.00 174.94 174.46 3h1c s GLY 150 N -3.25 1.68 -0.23 6.27 0.00 -0.76 -4.69 107.32 106.33 3h1c s GLY 150 Ca 0.30 -1.05 -0.06 0.00 0.00 0.00 0.00 44.72 43.91 3h1c s GLY 150 CO 0.21 -0.90 0.04 0.00 0.00 0.00 0.00 173.10 172.45 3h1c s ALA 151 N -0.93 3.09 -0.04 3.20 0.00 -1.26 -3.53 121.76 122.28 3h1c s ALA 151 Ca 0.15 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3h1c s ALA 151 Cb -0.11 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.08 3h1c s ALA 151 CO 0.06 -0.38 -0.07 0.00 0.00 0.00 0.00 175.76 175.37 3h1c s ALA 152 N 1.41 0.80 -0.16 0.00 0.00 -0.98 -4.90 121.76 117.93 3h1c s ALA 152 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3h1c s ALA 152 Cb -0.15 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3h1c s ALA 152 CO 0.02 0.06 -0.18 0.50 0.00 0.00 0.00 175.76 176.17 3h1c s ARG 153 N 0.60 3.11 0.14 0.00 3.52 -1.26 -0.92 118.95 124.14 3h1c s ARG 153 Ca -0.09 -0.79 0.10 0.00 -0.13 0.00 0.00 55.73 54.82 3h1c s ARG 153 Cb -0.12 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 3h1c s ARG 153 CO 0.01 -0.06 -0.24 0.14 -0.81 0.00 0.00 175.30 174.34 3h1c s VAL 154 N 0.98 2.09 0.08 7.11 -7.23 -1.06 0.86 120.40 123.23 3h1c s VAL 154 Ca -0.03 -1.78 0.06 0.00 -1.81 0.00 0.00 61.98 58.43 3h1c s VAL 154 Cb -0.15 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 3h1c s VAL 154 CO -0.04 -0.03 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.72 3h1c s GLY 155 N -2.21 1.02 -0.62 2.32 0.00 0.09 -3.35 107.32 104.56 3h1c s GLY 155 Ca 0.14 -1.10 -0.07 0.00 0.00 0.00 0.00 44.72 43.68 3h1c s GLY 155 CO 0.06 -1.12 0.48 -0.47 0.00 0.00 0.00 173.10 172.06 3h1c s TYR 156 N -1.23 3.51 -0.17 1.90 5.04 -1.23 -0.53 117.35 124.64 3h1c s TYR 156 Ca 0.01 -2.31 -0.01 0.00 -2.44 0.00 0.00 57.07 52.32 3h1c s TYR 156 Cb -0.10 -3.43 -0.01 0.00 0.35 0.00 0.00 41.96 38.77 3h1c s TYR 156 CO 0.03 -0.92 -0.11 0.42 -1.34 0.00 0.00 175.55 173.63 3h1c s ILE 157 N 0.42 3.05 -1.39 3.14 1.01 -0.60 -1.14 121.20 125.70 3h1c s ILE 157 Ca 0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3h1c s ILE 157 Cb -0.19 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 39.97 3h1c s ILE 157 CO -0.04 0.49 0.68 0.59 0.00 0.00 0.00 174.94 176.66 3h1c n ASN 158 N 4.10 -1.63 -3.13 3.58 3.02 -1.26 -1.93 115.26 118.01 3h1c n ASN 158 Ca -0.18 -0.87 -0.23 0.00 -0.03 0.00 0.00 54.58 53.27 3h1c n ASN 158 Cb 0.52 -3.72 0.02 0.00 -0.61 0.00 0.00 39.78 35.99 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 -2.99 -5.42 -3.80 6.41 8.00 -1.26 -4.99 116.55 112.50 3h1c n ASP 159 Ca -0.23 -0.32 -0.13 0.00 0.71 0.00 0.00 54.79 54.83 3h1c n ASP 159 Cb 0.65 -4.40 -0.11 0.00 -0.02 0.00 0.00 41.12 37.24 3h1c n ASP 159 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3h1c s GLN 160 N -5.80 0.40 0.05 -1.24 2.00 -0.81 -5.15 119.66 109.11 3h1c s GLN 160 Ca 0.33 0.11 -0.26 0.00 -2.00 0.00 0.00 55.36 53.54 3h1c s GLN 160 Cb -0.16 0.19 -0.05 0.00 0.80 0.00 0.00 33.01 33.78 3h1c s GLN 160 CO 0.41 -0.08 0.81 0.71 -0.50 0.00 0.00 175.29 176.65 3h1c s TYR 161 N -0.43 3.74 -0.11 1.67 1.51 -1.26 -1.56 117.35 120.90 3h1c s TYR 161 Ca -0.05 1.54 0.02 0.00 -1.01 0.00 0.00 57.07 57.56 3h1c s TYR 161 Cb -0.04 -2.88 0.01 0.00 -0.11 0.00 0.00 41.96 38.94 3h1c s TYR 161 CO 0.01 0.23 -0.16 0.08 -1.11 0.00 0.00 175.55 174.60 3h1c s VAL 162 N 0.07 1.57 0.09 0.71 1.01 0.31 -4.97 120.40 119.20 3h1c s VAL 162 Ca 0.41 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 3h1c s VAL 162 Cb -0.21 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3h1c s VAL 162 CO 0.24 0.46 0.94 -0.22 0.00 0.00 0.00 175.10 176.52 3h1c s LEU 163 N 0.99 4.48 -0.55 3.92 2.96 -1.26 -0.74 118.68 128.48 3h1c s LEU 163 Ca -0.06 1.74 -0.20 0.00 -0.22 0.00 0.00 54.13 55.39 3h1c s LEU 163 Cb -0.15 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.02 3h1c s LEU 163 CO -0.02 -0.08 0.64 0.59 -1.32 0.00 0.00 176.35 176.16 3h1c n ASN 164 N 2.91 -6.36 -4.81 3.68 3.02 0.25 -4.84 115.26 109.11 3h1c n ASN 164 Ca 0.02 -0.11 -0.34 0.00 -0.03 0.00 0.00 54.58 54.12 3h1c n ASN 164 Cb 0.49 -3.18 -0.07 0.00 -0.61 0.00 0.00 39.78 36.42 3h1c n ASN 164 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3h1c s PRO 165 N -3.04 4.33 0.96 3.52 0.04 -1.26 -4.95 135.00 134.59 3h1c s PRO 165 Ca 0.22 1.19 -0.16 0.00 0.04 0.00 0.00 61.00 62.29 3h1c s PRO 165 Cb -0.04 -2.36 0.22 0.00 0.04 0.00 0.00 34.50 32.36 3h1c s PRO 165 CO 0.83 0.05 1.31 0.25 0.04 0.00 0.00 177.00 179.49 3h1c n THR 166 N -0.29 0.00 0.01 1.26 -2.24 -1.26 -4.84 114.28 106.92 3h1c n THR 166 Ca 0.06 -0.99 0.01 0.00 -2.27 0.00 0.00 64.05 60.86 3h1c n THR 166 Cb 0.53 -1.50 0.34 0.00 -2.10 0.00 0.00 70.33 67.60 3h1c n THR 166 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3h1c h GLN 167 N 0.00 0.51 0.00 -0.78 5.75 -1.79 -2.23 115.11 116.58 3h1c h GLN 167 Ca -0.42 -0.09 -0.20 0.00 -0.15 0.00 0.00 58.65 57.79 3h1c h GLN 167 Cb 1.18 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.61 3h1c h GLN 167 CO 0.30 0.49 -0.96 -0.44 -2.65 0.00 0.00 178.83 175.57 3h1c h ASP 168 N 0.50 0.01 1.42 -0.69 3.32 -1.92 -3.30 116.42 115.76 3h1c h ASP 168 Ca 0.12 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3h1c h ASP 168 Cb 0.23 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3h1c h ASP 168 CO -0.00 0.96 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.99 3h1c h GLU 169 N 0.00 0.00 0.00 3.56 5.08 -1.81 -3.21 114.58 118.21 3h1c h GLU 169 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3h1c h GLU 169 Cb 1.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 3h1c h GLU 169 CO 0.13 0.17 -0.37 -0.07 -1.00 0.00 0.00 179.01 177.86 3h1c h LEU 170 N 0.00 0.00 -0.63 1.33 3.38 -1.49 -2.71 115.31 115.19 3h1c h LEU 170 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3h1c h LEU 170 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3h1c h LEU 170 CO 0.02 0.37 -0.44 0.11 0.09 0.00 0.00 178.44 178.60 3h1c h LYS 171 N 0.00 0.57 0.00 1.13 1.57 -1.71 -3.02 116.57 115.11 3h1c h LYS 171 Ca -0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3h1c h LYS 171 Cb 0.91 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3h1c h LYS 171 CO 0.05 0.90 -0.36 0.93 -0.57 0.00 0.00 179.45 180.39 3h1c h GLU 172 N 0.46 0.00 -7.14 3.15 4.39 -1.70 -3.47 114.58 110.27 3h1c h GLU 172 Ca 0.03 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.25 3h1c h GLU 172 Cb 0.95 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.65 3h1c h GLU 172 CO 0.08 0.00 0.38 0.45 -1.16 0.00 0.00 179.01 178.77 3h1c s SER 173 N -5.75 6.06 -0.08 1.42 0.15 -1.03 -4.82 113.70 109.64 3h1c s SER 173 Ca 0.05 1.86 0.21 0.00 0.70 0.00 0.00 55.95 58.76 3h1c s SER 173 Cb 0.07 -2.54 -0.31 0.00 -1.71 0.00 0.00 66.02 61.53 3h1c s SER 173 CO 0.71 -0.98 0.35 1.17 1.20 0.00 0.00 173.24 175.69 3h1c n LYS 174 N -1.56 0.67 -4.58 5.44 3.00 -0.29 -4.93 118.16 115.91 3h1c n LYS 174 Ca 0.09 -0.14 -0.24 0.00 -0.00 0.00 0.00 58.31 58.02 3h1c n LYS 174 Cb 0.53 -1.52 -0.14 0.00 0.00 0.00 0.00 35.03 33.90 3h1c n LYS 174 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3h1c s LEU 175 N -4.83 2.15 -0.22 3.14 0.20 -1.26 -2.13 118.68 115.74 3h1c s LEU 175 Ca -0.09 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.22 3h1c s LEU 175 Cb 0.11 -0.85 0.08 0.00 -0.43 0.00 0.00 46.19 45.10 3h1c s LEU 175 CO 0.88 0.13 0.14 -0.62 -0.29 0.00 0.00 176.35 176.60 3h1c s ASP 176 N -1.05 2.39 0.03 3.68 2.15 -0.88 -3.55 116.67 119.43 3h1c s ASP 176 Ca 0.06 -0.71 0.01 0.00 0.43 0.00 0.00 52.55 52.33 3h1c s ASP 176 Cb -0.08 -0.08 -0.02 0.00 -0.30 0.00 0.00 42.92 42.44 3h1c s ASP 176 CO 0.01 -0.37 -0.05 -1.48 -0.17 0.00 0.00 175.17 173.12 3h1c s LEU 177 N 2.19 2.23 -0.21 -1.34 0.05 -1.21 -2.00 118.68 118.38 3h1c s LEU 177 Ca 0.05 -0.48 -0.02 0.00 0.05 0.00 0.00 54.13 53.74 3h1c s LEU 177 Cb -0.16 -0.01 0.01 0.00 -2.05 0.00 0.00 46.19 43.98 3h1c s LEU 177 CO -0.19 -0.24 -0.09 -0.69 -0.55 0.00 0.00 176.35 174.59 3h1c s VAL 178 N -1.31 2.91 -0.11 1.48 1.01 -0.38 -2.56 120.40 121.43 3h1c s VAL 178 Ca -0.13 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3h1c s VAL 178 Cb -0.09 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3h1c s VAL 178 CO -0.00 0.42 -0.15 0.54 0.00 0.00 0.00 175.10 175.91 3h1c s VAL 179 N 1.40 2.93 0.02 2.92 0.11 -0.09 -1.99 120.40 125.70 3h1c s VAL 179 Ca 0.05 -0.72 0.07 0.00 -2.93 0.00 0.00 61.98 58.45 3h1c s VAL 179 Cb -0.14 -2.21 -0.02 0.00 -1.53 0.00 0.00 36.38 32.48 3h1c s VAL 179 CO -0.06 0.54 -0.20 0.00 -3.33 0.00 0.00 175.10 172.05 3h1c s ALA 180 N 0.19 1.67 -0.14 1.54 0.00 -0.78 -2.31 121.76 121.93 3h1c s ALA 180 Ca -0.09 -0.97 -0.34 0.00 0.00 0.00 0.00 51.96 50.56 3h1c s ALA 180 Cb -0.15 -0.35 0.15 0.00 0.00 0.00 0.00 23.12 22.76 3h1c s ALA 180 CO 0.05 0.38 1.41 0.20 0.00 0.00 0.00 175.76 177.80 3h1c s GLY 181 N -0.95 -0.42 0.00 0.00 0.00 -1.23 -0.60 107.32 104.12 3h1c s GLY 181 Ca 0.07 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.97 3h1c s GLY 181 CO 0.01 0.29 0.00 -1.30 0.00 0.00 0.00 173.10 172.10 3h1c n THR 182 N -0.37 0.00 0.15 0.90 -2.24 0.35 -1.82 114.28 111.25 3h1c n THR 182 Ca -0.06 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.73 3h1c n THR 182 Cb 0.62 -1.67 0.28 0.00 -2.10 0.00 0.00 70.33 67.47 3h1c n THR 182 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3h1c h GLU 183 N 0.00 0.05 0.00 -0.78 4.81 -1.94 -3.35 114.58 113.37 3h1c h GLU 183 Ca 0.00 -0.02 -0.41 0.00 -0.13 0.00 0.00 59.36 58.80 3h1c h GLU 183 Cb 0.00 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 3h1c h GLU 183 CO 0.00 0.48 -2.48 0.00 -0.73 0.00 0.00 179.01 176.29 3h1c n ALA 184 N -2.46 1.35 -2.39 2.92 0.00 -1.26 -5.06 120.51 113.62 3h1c n ALA 184 Ca -0.02 -1.09 -0.11 0.00 0.00 0.00 0.00 53.44 52.22 3h1c n ALA 184 Cb 0.47 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 3h1c n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1c s ALA 185 N -2.52 0.81 0.45 0.00 0.00 -1.26 -4.80 121.76 114.44 3h1c s ALA 185 Ca -0.36 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.29 3h1c s ALA 185 Cb 0.10 0.13 -0.09 0.00 0.00 0.00 0.00 23.12 23.27 3h1c s ALA 185 CO 0.58 -0.18 0.91 0.08 0.00 0.00 0.00 175.76 177.14 3h1c s VAL 186 N -2.94 4.56 0.00 0.00 1.01 -1.26 -0.49 120.40 121.28 3h1c s VAL 186 Ca 0.04 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.18 3h1c s VAL 186 Cb 0.01 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3h1c s VAL 186 CO -0.04 -0.50 0.00 0.18 0.00 0.00 0.00 175.10 174.75 3h1c n LEU 187 N -1.12 1.43 -4.13 3.92 4.77 0.23 -4.76 117.00 117.34 3h1c n LEU 187 Ca 0.06 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 3h1c n LEU 187 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 3h1c n LEU 187 CO 0.43 0.20 -0.39 -0.32 -1.33 0.00 0.00 177.39 175.98 3h1c s MET 188 N -1.69 0.72 -0.19 3.23 0.00 -0.39 -1.57 119.30 119.41 3h1c s MET 188 Ca 0.00 -1.15 -0.14 0.00 0.00 0.00 0.00 55.69 54.41 3h1c s MET 188 Cb 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 34.83 34.69 3h1c s MET 188 CO 0.00 -0.01 0.49 0.08 0.00 0.00 0.00 175.02 175.58 3h1c s VAL 189 N -2.96 -0.01 -0.14 10.11 1.01 -0.82 -1.87 120.40 125.73 3h1c s VAL 189 Ca 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3h1c s VAL 189 Cb 0.01 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.73 3h1c s VAL 189 CO -0.04 0.02 0.06 -0.70 0.00 0.00 0.00 175.10 174.44 3h1c s GLU 190 N 0.96 0.25 0.08 2.72 2.56 -0.84 -1.95 118.70 122.48 3h1c s GLU 190 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.97 54.85 3h1c s GLU 190 Cb -0.06 -1.53 -0.04 0.00 2.00 0.00 0.00 34.13 34.51 3h1c s GLU 190 CO -0.08 -0.55 0.01 -1.54 -0.56 0.00 0.00 175.26 172.54 3h1c s SER 191 N 2.06 0.41 0.08 -1.70 1.04 -0.89 -1.25 113.70 113.45 3h1c s SER 191 Ca 0.02 -1.07 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 3h1c s SER 191 Cb -0.15 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.23 3h1c s SER 191 CO -0.07 -0.66 0.27 -1.83 0.98 0.00 0.00 173.24 171.93 3h1c s GLU 192 N -3.97 0.88 -0.07 4.02 -1.05 -0.85 -3.39 118.70 114.28 3h1c s GLU 192 Ca 0.14 -0.77 -0.29 0.00 -0.15 0.00 0.00 54.97 53.89 3h1c s GLU 192 Cb 0.08 0.37 0.11 0.00 -0.44 0.00 0.00 34.13 34.25 3h1c s GLU 192 CO -0.05 -0.30 0.90 0.00 0.95 0.00 0.00 175.26 176.76 3h1c s ALA 193 N -3.45 -1.86 -1.28 -0.84 0.00 0.32 -2.07 121.76 112.58 3h1c s ALA 193 Ca 0.01 1.27 -0.17 0.00 0.00 0.00 0.00 51.96 53.07 3h1c s ALA 193 Cb 0.02 -0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.17 3h1c s ALA 193 CO -0.09 -0.50 1.68 1.04 0.00 0.00 0.00 175.76 177.88 3h1c n GLN 194 N 0.26 3.24 -3.57 0.00 6.02 -0.91 -4.20 117.38 118.23 3h1c n GLN 194 Ca -0.11 -3.40 -0.24 0.00 -0.01 0.00 0.00 57.00 53.24 3h1c n GLN 194 Cb 0.60 -3.39 0.03 0.00 1.02 0.00 0.00 30.24 28.49 3h1c n GLN 194 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3h1c n LEU 195 N 7.75 -3.50 -4.96 1.08 4.32 -1.18 -4.95 117.00 115.56 3h1c n LEU 195 Ca 0.46 -0.83 -0.24 0.00 -0.02 0.00 0.00 56.01 55.39 3h1c n LEU 195 Cb 0.45 -2.46 -0.02 0.00 -1.62 0.00 0.00 43.42 39.77 3h1c n LEU 195 CO 0.74 0.16 -0.05 -0.76 -1.22 0.00 0.00 177.39 176.25 3h1c s LEU 196 N -5.73 4.31 0.83 2.23 1.43 -1.08 -4.43 118.68 116.25 3h1c s LEU 196 Ca 0.31 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 3h1c s LEU 196 Cb -0.11 -2.92 0.09 0.00 0.03 0.00 0.00 46.19 43.29 3h1c s LEU 196 CO 0.84 -0.03 1.10 -0.55 0.23 0.00 0.00 176.35 177.95 3h1c s SER 197 N -3.62 4.14 0.23 2.29 0.15 -1.26 -0.56 113.70 115.06 3h1c s SER 197 Ca 0.35 1.31 -0.07 0.00 0.70 0.00 0.00 55.95 58.24 3h1c s SER 197 Cb -0.10 -2.02 0.20 0.00 -1.71 0.00 0.00 66.02 62.40 3h1c s SER 197 CO 0.29 -2.20 1.86 -0.33 1.20 0.00 0.00 173.24 174.06 3h1c h GLU 198 N -1.24 1.24 0.00 5.44 3.07 -1.98 -1.48 114.58 119.63 3h1c h GLU 198 Ca -0.48 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 58.13 3h1c h GLU 198 Cb 1.28 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.93 3h1c h GLU 198 CO 0.58 0.90 -0.51 -0.44 -1.40 0.00 0.00 179.01 178.14 3h1c h ASP 199 N 1.25 0.00 0.43 1.42 3.32 -1.98 -2.01 116.42 118.84 3h1c h ASP 199 Ca 0.31 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.11 3h1c h ASP 199 Cb 0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.57 3h1c h ASP 199 CO -0.05 0.51 -1.12 1.56 -1.72 0.00 0.00 179.24 178.42 3h1c h GLN 200 N 0.00 0.38 -0.14 3.56 4.20 -1.85 -1.78 115.11 119.49 3h1c h GLN 200 Ca -0.01 -0.51 -0.16 0.00 0.06 0.00 0.00 58.65 58.03 3h1c h GLN 200 Cb 0.93 0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.88 3h1c h GLN 200 CO 0.07 1.19 -0.54 0.52 -0.67 0.00 0.00 178.83 179.40 3h1c h MET 201 N 0.17 0.62 -0.06 1.46 2.86 -1.23 -3.04 114.93 115.70 3h1c h MET 201 Ca -0.12 -0.47 -0.18 0.00 -2.06 0.00 0.00 59.70 56.86 3h1c h MET 201 Cb 1.79 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.54 3h1c h MET 201 CO 0.19 1.09 -0.74 1.25 1.06 0.00 0.00 176.91 179.77 3h1c h LEU 202 N 0.27 0.44 -1.52 1.22 6.46 -1.48 -3.22 115.31 117.48 3h1c h LEU 202 Ca -0.03 -0.29 -0.03 0.00 -0.12 0.00 0.00 57.88 57.41 3h1c h LEU 202 Cb 1.17 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 3h1c h LEU 202 CO 0.11 1.03 0.03 1.23 -0.62 0.00 0.00 178.44 180.23 3h1c h GLY 203 N 1.35 0.36 2.00 3.75 0.00 -1.37 -2.24 103.07 106.93 3h1c h GLY 203 Ca -0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 3h1c h GLY 203 CO 0.12 0.17 -0.69 0.00 0.00 0.00 0.00 176.54 176.15 3h1c h ALA 204 N 1.71 0.84 -0.26 3.60 0.00 -1.54 -1.57 119.26 122.03 3h1c h ALA 204 Ca 0.08 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 3h1c h ALA 204 Cb 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h1c h ALA 204 CO 0.00 0.86 -0.34 0.28 0.00 0.00 0.00 179.25 180.05 3h1c h VAL 205 N 0.00 1.31 -0.38 0.00 2.07 -1.44 -1.98 116.25 115.82 3h1c h VAL 205 Ca -0.01 -1.53 -0.14 0.00 0.82 0.00 0.00 66.70 65.84 3h1c h VAL 205 Cb 1.24 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3h1c h VAL 205 CO 0.09 0.49 -0.31 0.58 0.02 0.00 0.00 177.57 178.44 3h1c h VAL 206 N 0.41 1.28 -0.71 2.57 2.07 -1.43 -2.05 116.25 118.40 3h1c h VAL 206 Ca 0.03 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 3h1c h VAL 206 Cb 0.93 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3h1c h VAL 206 CO 0.08 0.49 0.38 0.15 0.02 0.00 0.00 177.57 178.69 3h1c h PHE 207 N 0.69 0.98 -0.32 1.57 3.57 -1.30 -1.73 116.94 120.41 3h1c h PHE 207 Ca 0.07 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 3h1c h PHE 207 Cb 0.89 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3h1c h PHE 207 CO 0.06 0.70 -0.29 0.78 -2.23 0.00 0.00 178.31 177.33 3h1c h GLY 208 N 0.98 0.72 1.78 2.40 0.00 -1.33 -2.30 103.07 105.32 3h1c h GLY 208 Ca 0.25 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3h1c h GLY 208 CO -0.04 0.59 -0.29 0.84 0.00 0.00 0.00 176.54 177.65 3h1c h HIS 209 N 0.57 0.29 0.09 5.60 -0.00 -1.07 -2.07 115.15 118.56 3h1c h HIS 209 Ca 0.07 -0.06 -0.26 0.00 -0.00 0.00 0.00 60.37 60.13 3h1c h HIS 209 Cb 0.79 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.13 3h1c h HIS 209 CO 0.04 0.52 -1.17 0.93 -0.00 0.00 0.00 177.93 178.25 3h1c h GLU 210 N 0.23 0.21 0.00 5.26 5.08 -1.23 -3.34 114.58 120.78 3h1c h GLU 210 Ca 0.03 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 57.90 3h1c h GLU 210 Cb 0.63 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3h1c h GLU 210 CO 0.05 1.16 -0.70 1.96 -1.00 0.00 0.00 179.01 180.48 3h1c h GLN 211 N 0.06 0.00 0.00 2.33 1.08 -1.31 -3.23 115.11 114.03 3h1c h GLN 211 Ca -0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3h1c h GLN 211 Cb 1.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 3h1c h GLN 211 CO 0.18 0.70 0.00 0.00 -0.95 0.00 0.00 178.83 178.76 3h1c n GLN 212 N -3.28 0.93 0.11 1.46 10.64 -0.79 -3.91 117.38 122.53 3h1c n GLN 212 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 3h1c n GLN 212 Cb 0.81 -1.50 0.30 0.00 -0.86 0.00 0.00 30.24 28.99 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 0.22 0.00 2.61 1.08 -1.70 -2.66 115.11 114.67 3h1c h GLN 213 Ca 0.00 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.07 3h1c h GLN 213 Cb 0.02 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 3h1c h GLN 213 CO 0.00 0.50 -0.25 -0.24 -0.95 0.00 0.00 178.83 177.89 3h1c h VAL 214 N 0.20 0.66 -0.08 -0.54 3.04 -1.84 -1.50 116.25 116.20 3h1c h VAL 214 Ca 0.03 -1.15 -0.08 0.00 -1.01 0.00 0.00 66.70 64.48 3h1c h VAL 214 Cb 0.63 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 3h1c h VAL 214 CO 0.05 0.25 -0.27 0.58 -1.01 0.00 0.00 177.57 177.17 3h1c h VAL 215 N 0.00 1.42 -0.65 1.51 2.07 -1.74 -2.99 116.25 115.87 3h1c h VAL 215 Ca -0.00 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.82 3h1c h VAL 215 Cb 0.73 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 3h1c h VAL 215 CO 0.03 0.47 0.19 0.40 0.02 0.00 0.00 177.57 178.69 3h1c h ILE 216 N -0.17 1.24 0.00 4.57 2.04 -1.35 -2.70 117.51 121.14 3h1c h ILE 216 Ca -0.01 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 64.92 3h1c h ILE 216 Cb 0.90 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3h1c h ILE 216 CO 0.06 0.33 -0.38 1.56 0.00 0.00 0.00 178.15 179.71 3h1c h GLN 217 N 0.96 0.00 0.00 2.37 4.20 -1.35 -2.68 115.11 118.62 3h1c h GLN 217 Ca 0.21 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.76 3h1c h GLN 217 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3h1c h GLN 217 CO -0.01 0.38 -0.84 -0.91 -0.67 0.00 0.00 178.83 176.79 3h1c h ASN 218 N 0.00 0.00 -0.16 1.46 2.35 -1.35 -3.09 115.58 114.80 3h1c h ASN 218 Ca -0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3h1c h ASN 218 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3h1c h ASN 218 CO 0.05 0.73 -0.35 0.40 -1.65 0.00 0.00 177.43 176.62 3h1c h ILE 219 N 0.00 1.35 -0.65 2.81 2.04 -1.38 -2.67 117.51 119.02 3h1c h ILE 219 Ca -0.03 -1.61 0.01 0.00 1.00 0.00 0.00 64.86 64.22 3h1c h ILE 219 Cb 1.59 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.62 3h1c h ILE 219 CO 0.09 0.49 0.43 0.78 0.00 0.00 0.00 178.15 179.93 3h1c h ASN 220 N 0.14 0.74 1.08 1.72 2.35 -1.57 -0.82 115.58 119.22 3h1c h ASN 220 Ca 0.00 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 3h1c h ASN 220 Cb 0.95 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 3h1c h ASN 220 CO 0.08 0.54 -0.49 -0.33 -1.65 0.00 0.00 177.43 175.57 3h1c h GLU 221 N 0.88 0.00 0.02 0.81 4.39 -1.58 -2.53 114.58 116.57 3h1c h GLU 221 Ca 0.24 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.71 3h1c h GLU 221 Cb -0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3h1c h GLU 221 CO -0.05 0.49 -0.99 1.25 -1.16 0.00 0.00 179.01 178.55 3h1c h LEU 222 N 0.00 0.48 -0.63 1.33 6.46 -0.98 -2.13 115.31 119.84 3h1c h LEU 222 Ca -0.00 -0.41 -0.13 0.00 -0.12 0.00 0.00 57.88 57.22 3h1c h LEU 222 Cb 1.17 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 3h1c h LEU 222 CO 0.06 1.22 -0.34 0.58 -0.62 0.00 0.00 178.44 179.35 3h1c h VAL 223 N 0.19 1.28 0.00 1.05 2.07 -1.19 -1.00 116.25 118.66 3h1c h VAL 223 Ca -0.09 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 65.87 3h1c h VAL 223 Cb 1.64 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 3h1c h VAL 223 CO 0.17 0.48 -0.37 0.50 0.02 0.00 0.00 177.57 178.37 3h1c h LYS 224 N 0.59 0.00 0.00 1.57 3.64 -1.43 -2.80 116.57 118.14 3h1c h LYS 224 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3h1c h LYS 224 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3h1c h LYS 224 CO 0.07 0.37 -0.12 1.49 -2.27 0.00 0.00 179.45 178.99 3h1c h GLU 225 N 0.00 0.00 -2.17 1.90 4.81 -1.16 -3.44 114.58 114.51 3h1c h GLU 225 Ca -0.00 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.65 3h1c h GLU 225 Cb 0.67 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 29.66 3h1c h GLU 225 CO 0.05 0.00 -1.03 0.00 -0.73 0.00 0.00 179.01 177.29 3h1c n ALA 226 N -2.95 2.66 -2.56 2.92 0.00 -0.40 -5.10 120.51 115.09 3h1c n ALA 226 Ca -0.02 -3.34 -0.23 0.00 0.00 0.00 0.00 53.44 49.85 3h1c n ALA 226 Cb 0.06 -0.79 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 3h1c n ALA 226 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h1c s GLY 227 N -0.72 1.06 0.28 0.00 0.00 -1.05 -4.77 107.32 102.11 3h1c s GLY 227 Ca 0.34 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 3h1c s GLY 227 CO -0.14 -1.03 1.20 0.54 0.00 0.00 0.00 173.10 173.67 3h1c s LYS 228 N -1.44 4.50 0.59 2.90 1.02 -1.13 -4.99 119.74 121.18 3h1c s LYS 228 Ca 0.05 1.99 -0.19 0.00 0.02 0.00 0.00 55.97 57.83 3h1c s LYS 228 Cb -0.09 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 3h1c s LYS 228 CO 0.02 -0.01 1.14 -2.30 -0.92 0.00 0.00 175.35 173.29 3h1c n PRO 229 N 1.30 1.17 -1.94 -1.68 -0.02 -1.26 -4.19 135.00 128.39 3h1c n PRO 229 Ca 0.00 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.54 3h1c n PRO 229 Cb 0.43 -2.35 0.02 0.00 -0.02 0.00 0.00 33.50 31.58 3h1c n PRO 229 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3h1c s ARG 230 N -2.90 3.57 0.43 -0.52 0.52 -1.26 -4.52 118.95 114.26 3h1c s ARG 230 Ca 0.76 2.17 -0.25 0.00 -0.52 0.00 0.00 55.73 57.89 3h1c s ARG 230 Cb -0.42 -2.49 -0.08 0.00 0.52 0.00 0.00 34.95 32.48 3h1c s ARG 230 CO 0.46 -0.83 1.33 -1.58 0.02 0.00 0.00 175.30 174.70 3h1c s TRP 231 N -1.31 2.71 -1.36 -0.53 0.52 0.11 -4.92 118.94 114.16 3h1c s TRP 231 Ca 0.64 1.38 -0.17 0.00 0.02 0.00 0.00 56.10 57.98 3h1c s TRP 231 Cb -0.38 -3.72 0.06 0.00 -1.15 0.00 0.00 33.47 28.27 3h1c s TRP 231 CO 0.47 -2.30 1.93 -3.47 0.02 0.00 0.00 176.95 173.61 3h1c n ASP 232 N -0.05 4.50 -4.05 2.95 2.03 -1.26 -4.91 116.55 115.76 3h1c n ASP 232 Ca 0.05 -2.89 -0.23 0.00 0.52 0.00 0.00 54.79 52.24 3h1c n ASP 232 Cb 0.43 -1.71 -0.16 0.00 -0.72 0.00 0.00 41.12 38.96 3h1c n ASP 232 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3h1c s TRP 233 N 3.88 1.34 -0.00 -0.67 -0.00 -1.26 -5.14 118.94 117.08 3h1c s TRP 233 Ca 0.51 -0.40 0.03 0.00 -0.00 0.00 0.00 56.10 56.24 3h1c s TRP 233 Cb 0.08 -0.95 -0.01 0.00 -0.00 0.00 0.00 33.47 32.60 3h1c s TRP 233 CO 0.01 -0.17 -0.09 -0.65 -0.00 0.00 0.00 176.95 176.06 3h1c s GLN 234 N 0.30 0.68 0.79 5.86 -0.21 -1.26 -5.10 119.66 120.72 3h1c s GLN 234 Ca -0.07 -0.32 -0.14 0.00 0.02 0.00 0.00 55.36 54.85 3h1c s GLN 234 Cb -0.12 -0.66 0.07 0.00 1.00 0.00 0.00 33.01 33.31 3h1c s GLN 234 CO 0.02 0.18 1.22 -1.25 -2.12 0.00 0.00 175.29 173.34 3h1c s PRO 235 N -0.24 1.74 -0.01 2.91 0.04 -1.26 -4.88 135.00 133.29 3h1c s PRO 235 Ca 0.03 1.80 -0.36 0.00 0.04 0.00 0.00 61.00 62.50 3h1c s PRO 235 Cb -0.03 -1.78 -0.15 0.00 0.04 0.00 0.00 34.50 32.58 3h1c s PRO 235 CO -0.00 -2.15 1.60 -1.91 0.04 0.00 0.00 177.00 174.58 3h1c n GLU 236 N -3.14 1.61 -1.66 4.56 4.07 -1.26 -4.86 120.64 119.96 3h1c n GLU 236 Ca 0.14 0.59 -0.47 0.00 -0.06 0.00 0.00 57.16 57.36 3h1c n GLU 236 Cb 0.50 -2.31 -0.04 0.00 -0.06 0.00 0.00 31.44 29.53 3h1c n GLU 236 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3h1c n PRO 237 N 4.23 2.03 -1.99 5.31 -0.02 -1.26 -4.85 135.00 138.45 3h1c n PRO 237 Ca 0.21 0.73 -0.36 0.00 -2.02 0.00 0.00 63.50 62.06 3h1c n PRO 237 Cb 0.22 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 3h1c n PRO 237 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3h1c s VAL 238 N 0.88 3.33 -0.86 -1.45 -7.23 -1.26 -4.92 120.40 108.88 3h1c s VAL 238 Ca 0.79 0.10 -0.25 0.00 -1.81 0.00 0.00 61.98 60.82 3h1c s VAL 238 Cb -0.71 -3.84 0.04 0.00 0.56 0.00 0.00 36.38 32.43 3h1c s VAL 238 CO 0.39 -0.81 1.33 0.21 -0.31 0.00 0.00 175.10 175.91 3h1c s ASN 239 N 8.54 6.32 0.39 4.85 2.47 -1.26 -4.85 114.94 131.40 3h1c s ASN 239 Ca 0.71 -0.95 0.21 0.00 0.42 0.00 0.00 52.86 53.25 3h1c s ASN 239 Cb -0.12 -2.55 0.66 0.00 -1.45 0.00 0.00 41.25 37.79 3h1c s ASN 239 CO 0.18 -1.66 1.72 -0.08 -3.72 0.00 0.00 177.10 173.54 3h1c h GLU 240 N 9.87 0.00 -0.20 0.43 4.81 -2.00 -2.97 114.58 124.53 3h1c h GLU 240 Ca -0.07 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 3h1c h GLU 240 Cb 1.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3h1c h GLU 240 CO 1.33 0.30 -0.36 0.00 -0.73 0.00 0.00 179.01 179.55 3h1c h ALA 241 N 1.70 1.01 0.16 2.92 0.00 -2.01 -2.75 119.26 120.30 3h1c h ALA 241 Ca -0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 54.91 54.19 3h1c h ALA 241 Cb 0.93 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.64 3h1c h ALA 241 CO 0.04 0.60 -1.33 1.25 0.00 0.00 0.00 179.25 179.81 3h1c h LEU 242 N 0.37 0.88 -1.30 0.00 5.85 -1.96 -3.30 115.31 115.85 3h1c h LEU 242 Ca 0.04 -0.85 -0.03 0.00 0.84 0.00 0.00 57.88 57.88 3h1c h LEU 242 Cb 0.80 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3h1c h LEU 242 CO 0.06 1.65 0.14 0.78 -0.34 0.00 0.00 178.44 180.74 3h1c h ASN 243 N 0.24 0.57 0.61 1.25 4.21 -1.49 -2.46 115.58 118.51 3h1c h ASN 243 Ca -0.21 -0.07 -0.12 0.00 1.21 0.00 0.00 56.30 57.11 3h1c h ASN 243 Cb 2.00 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 39.04 3h1c h ASN 243 CO 0.25 0.54 -0.57 0.00 -1.29 0.00 0.00 177.43 176.36 3h1c h ALA 244 N 1.55 1.03 -0.04 -0.83 0.00 -1.61 -2.22 119.26 117.13 3h1c h ALA 244 Ca 0.15 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 3h1c h ALA 244 Cb 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h1c h ALA 244 CO -0.01 0.72 -0.80 0.00 0.00 0.00 0.00 179.25 179.15 3h1c h ARG 245 N 0.00 0.35 0.07 0.00 3.08 -1.53 -2.87 114.38 113.49 3h1c h ARG 245 Ca -0.01 -0.32 -0.17 0.00 0.07 0.00 0.00 59.98 59.55 3h1c h ARG 245 Cb 1.03 0.08 0.02 0.00 0.08 0.00 0.00 29.97 31.18 3h1c h ARG 245 CO 0.07 0.99 -0.69 0.28 -1.07 0.00 0.00 179.97 179.55 3h1c h VAL 246 N 0.22 1.48 -0.33 2.04 2.07 -1.46 -3.35 116.25 116.93 3h1c h VAL 246 Ca -0.04 -2.31 -0.07 0.00 0.82 0.00 0.00 66.70 65.09 3h1c h VAL 246 Cb 1.40 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 34.07 3h1c h VAL 246 CO 0.13 0.66 -0.10 0.00 0.02 0.00 0.00 177.57 178.28 3h1c h ALA 247 N 0.20 1.20 0.00 1.67 0.00 -1.50 0.18 119.26 121.01 3h1c h ALA 247 Ca -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3h1c h ALA 247 Cb 1.47 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3h1c h ALA 247 CO 0.13 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3h1c n ALA 248 N -2.48 2.44 0.00 0.00 0.00 -1.08 -2.69 120.51 116.69 3h1c n ALA 248 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3h1c n ALA 248 Cb 0.32 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.50 0.32 -0.09 0.00 7.94 -0.92 -4.96 117.00 118.79 3h1c n LEU 249 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 3h1c n LEU 249 Cb 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 3h1c n LEU 249 CO 0.00 0.05 -1.10 0.00 -1.11 0.00 0.00 177.39 175.23 3h1c n ALA 250 N -1.25 1.68 -0.29 1.96 0.00 0.58 -4.58 120.51 118.60 3h1c n ALA 250 Ca 0.00 -0.75 0.16 0.00 0.00 0.00 0.00 53.44 52.85 3h1c n ALA 250 Cb 0.11 0.15 0.42 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.22 0.56 -0.36 0.00 4.81 -1.64 0.21 114.58 117.94 3h1c h GLU 251 Ca -0.42 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.72 3h1c h GLU 251 Cb 1.55 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 3h1c h GLU 251 CO -0.14 0.37 0.00 0.00 -0.73 0.00 0.00 179.01 178.52 3h1c h ALA 252 N 1.62 0.48 0.00 2.92 0.00 -1.83 -2.03 119.26 120.41 3h1c h ALA 252 Ca 0.51 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 3h1c h ALA 252 Cb 1.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3h1c h ALA 252 CO -0.25 0.24 -0.88 0.00 0.00 0.00 0.00 179.25 178.36 3h1c h ARG 253 N 0.44 0.00 0.00 0.00 3.08 -1.46 -3.24 114.38 113.20 3h1c h ARG 253 Ca 0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3h1c h ARG 253 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3h1c h ARG 253 CO 0.02 0.88 -0.42 -0.07 -1.07 0.00 0.00 179.97 179.31 3h1c h LEU 254 N 0.00 0.00 -0.75 3.04 3.38 -0.66 -2.49 115.31 117.82 3h1c h LEU 254 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3h1c h LEU 254 Cb 1.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 3h1c h LEU 254 CO 0.11 0.42 -0.32 -1.28 0.09 0.00 0.00 178.44 177.46 3h1c h SER 255 N 0.00 0.60 1.16 -0.43 0.87 -1.39 -2.86 113.55 111.51 3h1c h SER 255 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3h1c h SER 255 Cb 1.07 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 3h1c h SER 255 CO 0.05 0.88 -0.47 0.44 -0.53 0.00 0.00 176.83 177.21 3h1c h ASP 256 N 0.49 0.00 0.08 6.23 3.32 -1.62 -3.33 116.42 121.60 3h1c h ASP 256 Ca 0.06 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 56.82 3h1c h ASP 256 Cb 0.80 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 3h1c h ASP 256 CO 0.07 0.05 -0.66 0.00 -1.72 0.00 0.00 179.24 176.98 3h1c h ALA 257 N 2.37 0.58 -0.59 3.45 0.00 -1.23 -3.21 119.26 120.63 3h1c h ALA 257 Ca 0.00 -0.57 -0.45 0.00 0.00 0.00 0.00 54.91 53.89 3h1c h ALA 257 Cb 0.82 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.37 3h1c h ALA 257 CO 0.00 0.72 0.51 0.66 0.00 0.00 0.00 179.25 181.13 3h1c n TYR 258 N -3.91 1.87 0.00 0.00 4.01 -1.12 -4.08 117.16 113.93 3h1c n TYR 258 Ca -0.04 -2.13 0.00 0.00 -0.16 0.00 0.00 57.90 55.57 3h1c n TYR 258 Cb 0.67 -1.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.53 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 0.29 1.75 -2.26 -0.72 0.63 -1.21 -4.69 116.66 110.46 3h1c n ARG 259 Ca 0.42 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 57.02 3h1c n ARG 259 Cb 0.56 -0.88 -0.01 0.00 0.45 0.00 0.00 32.46 32.58 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 -1.76 4.14 -0.12 5.15 -5.25 -1.26 -4.72 121.20 117.38 3h1c s ILE 260 Ca 0.00 1.05 -0.26 0.00 -0.99 0.00 0.00 60.65 60.45 3h1c s ILE 260 Cb 0.00 -3.54 -0.23 0.00 2.95 0.00 0.00 42.46 41.64 3h1c s ILE 260 CO 0.00 -0.56 0.78 0.71 -1.79 0.00 0.00 174.94 174.08 3h1c h THR 261 N 0.78 1.60 -2.96 8.37 1.35 -1.90 -3.43 112.91 116.71 3h1c h THR 261 Ca -0.47 -2.08 -0.52 0.00 -0.55 0.00 0.00 66.41 62.79 3h1c h THR 261 Cb 1.20 2.96 0.05 0.00 -1.73 0.00 0.00 68.15 70.63 3h1c h THR 261 CO 0.59 0.52 0.89 -0.62 -0.25 0.00 0.00 175.52 176.65 3h1c s ASP 262 N -6.09 6.53 0.11 5.36 2.15 -1.26 -4.80 116.67 118.67 3h1c s ASP 262 Ca -0.17 2.72 -0.13 0.00 0.43 0.00 0.00 52.55 55.40 3h1c s ASP 262 Cb -0.02 -2.61 -0.09 0.00 -0.30 0.00 0.00 42.92 39.90 3h1c s ASP 262 CO 0.63 -0.84 1.40 0.50 -0.17 0.00 0.00 175.17 176.69 3h1c h LYS 263 N 6.22 0.82 -0.00 4.34 3.64 -1.98 -0.55 116.57 129.06 3h1c h LYS 263 Ca -0.44 -0.51 -0.05 0.00 -1.27 0.00 0.00 60.65 58.39 3h1c h LYS 263 Cb 1.21 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3h1c h LYS 263 CO 0.88 1.14 -0.23 1.96 -2.27 0.00 0.00 179.45 180.93 3h1c h GLN 264 N 0.58 0.00 0.00 1.90 4.20 -1.98 0.12 115.11 119.93 3h1c h GLN 264 Ca 0.02 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 3h1c h GLN 264 Cb 1.09 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 3h1c h GLN 264 CO 0.11 0.23 -0.83 0.93 -0.67 0.00 0.00 178.83 178.60 3h1c h GLU 265 N 0.00 0.00 -0.00 1.46 5.08 -1.94 -3.17 114.58 116.01 3h1c h GLU 265 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3h1c h GLU 265 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3h1c h GLU 265 CO 0.03 0.44 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.32 3h1c h ARG 266 N 0.00 0.05 0.00 2.33 2.43 -0.24 -2.69 114.38 116.26 3h1c h ARG 266 Ca -0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3h1c h ARG 266 Cb 1.46 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 3h1c h ARG 266 CO 0.06 0.81 0.00 0.66 -1.51 0.00 0.00 179.97 179.99 3h1c n TYR 267 N -4.66 0.00 -0.02 2.20 4.01 0.34 -1.19 117.16 117.84 3h1c n TYR 267 Ca -0.09 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.43 3h1c n TYR 267 Cb 0.41 -0.43 -0.13 0.00 -0.31 0.00 0.00 39.34 38.88 3h1c n TYR 267 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h1c h ALA 268 N 2.83 0.28 -0.22 -0.72 0.00 -1.61 -3.29 119.26 116.54 3h1c h ALA 268 Ca 0.00 -1.21 -0.19 0.00 0.00 0.00 0.00 54.91 53.50 3h1c h ALA 268 Cb 0.31 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3h1c h ALA 268 CO 0.00 0.95 -0.61 0.37 0.00 0.00 0.00 179.25 179.96 3h1c h GLN 269 N -0.34 0.80 0.00 0.00 5.75 -1.34 -2.82 115.11 117.16 3h1c h GLN 269 Ca -0.35 -0.57 -0.03 0.00 -0.15 0.00 0.00 58.65 57.54 3h1c h GLN 269 Cb 1.74 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 30.38 3h1c h GLN 269 CO 0.01 1.19 -0.15 -0.24 -2.65 0.00 0.00 178.83 176.99 3h1c h VAL 270 N 0.55 0.42 0.04 2.39 3.04 -1.36 -2.65 116.25 118.68 3h1c h VAL 270 Ca -0.01 -0.87 -0.24 0.00 -1.01 0.00 0.00 66.70 64.57 3h1c h VAL 270 Cb 1.23 1.63 -0.02 0.00 -2.01 0.00 0.00 31.29 32.12 3h1c h VAL 270 CO 0.13 0.15 -1.14 -0.78 -1.01 0.00 0.00 177.57 174.92 3h1c h ASP 271 N 0.00 0.12 -0.21 3.17 3.58 -1.61 -2.43 116.42 119.05 3h1c h ASP 271 Ca -0.00 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 3h1c h ASP 271 Cb 0.62 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 3h1c h ASP 271 CO 0.02 1.11 0.04 0.58 -2.88 0.00 0.00 179.24 178.11 3h1c h VAL 272 N 0.02 1.22 -0.25 2.25 2.07 -1.22 -1.63 116.25 118.71 3h1c h VAL 272 Ca -0.07 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 3h1c h VAL 272 Cb 1.85 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 3h1c h VAL 272 CO 0.15 0.22 -0.17 0.40 0.02 0.00 0.00 177.57 178.19 3h1c h ILE 273 N 0.15 1.24 -0.07 4.57 2.04 -1.57 0.24 117.51 124.11 3h1c h ILE 273 Ca 0.06 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3h1c h ILE 273 Cb 0.30 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3h1c h ILE 273 CO 0.00 0.34 0.00 0.29 0.00 0.00 0.00 178.15 178.79 3h1c n LYS 274 N -4.18 1.23 0.00 2.37 5.02 -0.91 -2.68 118.16 119.01 3h1c n LYS 274 Ca 0.00 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 3h1c n LYS 274 Cb 0.34 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3h1c n LYS 274 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3h1c n SER 275 N -0.38 3.93 0.08 4.39 7.64 -0.63 -4.59 113.62 124.05 3h1c n SER 275 Ca 0.12 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.98 3h1c n SER 275 Cb 0.13 0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 63.70 3h1c n SER 275 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3h1c h GLU 276 N 0.00 0.00 -0.01 1.43 5.08 -0.60 -2.98 114.58 117.50 3h1c h GLU 276 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3h1c h GLU 276 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 3h1c h GLU 276 CO 0.00 0.56 -0.49 1.15 -1.00 0.00 0.00 179.01 179.23 3h1c h THR 277 N 0.00 1.45 -0.49 1.13 2.02 -1.73 -2.65 112.91 112.64 3h1c h THR 277 Ca -0.08 -2.01 -0.10 0.00 0.77 0.00 0.00 66.41 64.99 3h1c h THR 277 Cb 1.59 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 70.59 3h1c h THR 277 CO 0.08 0.58 -0.07 0.40 0.37 0.00 0.00 175.52 176.88 3h1c h ILE 278 N -0.20 1.27 -0.43 3.11 2.04 -1.81 -1.78 117.51 119.72 3h1c h ILE 278 Ca -0.06 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.56 3h1c h ILE 278 Cb 1.21 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3h1c h ILE 278 CO 0.10 0.41 -0.00 0.00 0.00 0.00 0.00 178.15 178.66 3h1c h ALA 279 N 0.91 1.20 -0.19 1.87 0.00 -1.62 0.10 119.26 121.54 3h1c h ALA 279 Ca 0.13 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 3h1c h ALA 279 Cb 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3h1c h ALA 279 CO 0.04 0.52 -0.68 1.15 0.00 0.00 0.00 179.25 180.29 3h1c h THR 280 N 0.65 1.30 -0.08 0.00 2.02 -1.40 -2.24 112.91 113.15 3h1c h THR 280 Ca 0.13 -1.90 -0.13 0.00 0.77 0.00 0.00 66.41 65.28 3h1c h THR 280 Cb 0.41 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 3h1c h THR 280 CO 0.02 0.60 -0.51 -0.07 0.37 0.00 0.00 175.52 175.93 3h1c h LEU 281 N 0.53 0.24 -0.67 2.58 3.38 -1.03 -0.59 115.31 119.74 3h1c h LEU 281 Ca -0.02 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 3h1c h LEU 281 Cb 1.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3h1c h LEU 281 CO 0.14 0.71 -0.60 -0.07 0.09 0.00 0.00 178.44 178.71 3h1c h LEU 282 N 0.18 0.23 -0.47 1.67 3.38 -0.81 0.20 115.31 119.68 3h1c h LEU 282 Ca 0.01 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 3h1c h LEU 282 Cb 0.96 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3h1c h LEU 282 CO 0.08 0.78 -0.75 0.00 0.09 0.00 0.00 178.44 178.64 3h1c h ALA 283 N 1.22 0.71 0.07 1.53 0.00 -1.20 -2.98 119.26 118.60 3h1c h ALA 283 Ca -0.01 -0.66 -0.21 0.00 0.00 0.00 0.00 54.91 54.04 3h1c h ALA 283 Cb 1.10 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.82 3h1c h ALA 283 CO 0.09 0.87 -0.85 0.93 0.00 0.00 0.00 179.25 180.29 3h1c h GLU 284 N 0.08 0.45 -2.93 0.00 5.08 -1.01 -3.44 114.58 112.81 3h1c h GLU 284 Ca -0.02 -0.58 -0.39 0.00 -1.00 0.00 0.00 59.36 57.37 3h1c h GLU 284 Cb 1.33 0.19 -0.39 0.00 0.50 0.00 0.00 28.75 30.38 3h1c h GLU 284 CO 0.11 1.23 -0.70 0.34 -1.00 0.00 0.00 179.01 178.98 3h1c s ASP 285 N -7.01 1.79 0.41 1.42 2.15 0.68 -5.04 116.67 111.07 3h1c s ASP 285 Ca -0.12 -0.34 0.22 0.00 0.43 0.00 0.00 52.55 52.74 3h1c s ASP 285 Cb 0.03 0.00 0.78 0.00 -0.30 0.00 0.00 42.92 43.44 3h1c s ASP 285 CO 0.86 -0.32 1.77 -0.33 -0.17 0.00 0.00 175.17 176.97 3h1c h GLU 286 N 8.39 0.00 -3.68 4.34 5.08 -1.75 -3.35 114.58 123.60 3h1c h GLU 286 Ca -0.15 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.41 3h1c h GLU 286 Cb 1.14 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.12 3h1c h GLU 286 CO 0.26 0.27 0.37 0.99 -1.00 0.00 0.00 179.01 179.90 3h1c s THR 287 N -3.57 5.86 0.02 1.13 2.01 -1.26 -4.99 115.64 114.85 3h1c s THR 287 Ca 0.01 -3.11 -0.02 0.00 0.31 0.00 0.00 61.69 58.88 3h1c s THR 287 Cb 0.10 -4.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.02 3h1c s THR 287 CO 0.66 -1.15 0.01 -0.76 -0.69 0.00 0.00 174.62 172.68 3h1c s LEU 288 N -0.75 2.12 -0.13 4.42 1.43 -1.26 -5.13 118.68 119.38 3h1c s LEU 288 Ca 0.27 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 3h1c s LEU 288 Cb -0.10 0.25 -0.02 0.00 0.03 0.00 0.00 46.19 46.35 3h1c s LEU 288 CO -0.08 -0.37 1.26 -0.62 0.23 0.00 0.00 176.35 176.77 3h1c s ASP 289 N -1.70 6.96 0.16 2.29 2.15 -1.26 -4.93 116.67 120.35 3h1c s ASP 289 Ca -0.12 1.75 -0.07 0.00 0.43 0.00 0.00 52.55 54.54 3h1c s ASP 289 Cb -0.07 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.04 3h1c s ASP 289 CO -0.02 -0.72 1.48 -0.08 -0.17 0.00 0.00 175.17 175.66 3h1c h GLU 290 N 8.04 0.74 0.00 4.34 4.57 -2.00 -3.08 114.58 127.19 3h1c h GLU 290 Ca -0.29 -0.44 -0.08 0.00 -1.18 0.00 0.00 59.36 57.37 3h1c h GLU 290 Cb 1.12 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 3h1c h GLU 290 CO 0.94 1.06 -0.38 -0.91 -1.18 0.00 0.00 179.01 178.54 3h1c h ASN 291 N 0.58 0.00 0.00 1.04 2.35 -1.93 -3.25 115.58 114.37 3h1c h ASN 291 Ca 0.03 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.51 3h1c h ASN 291 Cb 1.07 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.46 3h1c h ASN 291 CO 0.10 0.38 -1.02 -0.08 -1.65 0.00 0.00 177.43 175.17 3h1c h GLU 292 N 0.00 0.69 -0.94 0.81 4.81 -1.96 -3.14 114.58 114.85 3h1c h GLU 292 Ca -0.00 -0.74 0.02 0.00 -0.13 0.00 0.00 59.36 58.50 3h1c h GLU 292 Cb 0.97 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 3h1c h GLU 292 CO 0.05 1.32 0.62 -0.07 -0.73 0.00 0.00 179.01 180.20 3h1c h LEU 293 N 0.36 1.06 -0.85 1.64 3.38 -1.57 -1.81 115.31 117.52 3h1c h LEU 293 Ca -0.13 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3h1c h LEU 293 Cb 1.68 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 3h1c h LEU 293 CO 0.20 0.76 -0.30 1.23 0.09 0.00 0.00 178.44 180.42 3h1c h GLY 294 N 1.25 0.00 1.17 0.83 0.00 -1.65 -2.74 103.07 101.93 3h1c h GLY 294 Ca 0.35 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.47 3h1c h GLY 294 CO -0.08 0.00 -0.71 -2.09 0.00 0.00 0.00 176.54 173.66 3h1c h GLU 295 N 0.00 0.82 -0.39 4.80 4.81 -1.29 -1.55 114.58 121.78 3h1c h GLU 295 Ca -0.00 -0.63 -0.14 0.00 -0.13 0.00 0.00 59.36 58.46 3h1c h GLU 295 Cb 0.90 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3h1c h GLU 295 CO 0.04 1.24 -0.29 0.82 -0.73 0.00 0.00 179.01 180.10 3h1c h ILE 296 N 0.58 1.28 -0.47 2.32 5.03 -1.47 -2.42 117.51 122.36 3h1c h ILE 296 Ca -0.03 -1.45 -0.03 0.00 -0.12 0.00 0.00 64.86 63.23 3h1c h ILE 296 Cb 1.34 1.34 -0.02 0.00 -3.03 0.00 0.00 36.82 36.44 3h1c h ILE 296 CO 0.15 0.48 0.15 -0.07 -0.68 0.00 0.00 178.15 178.19 3h1c h LEU 297 N 0.70 0.62 -0.91 1.44 3.38 -1.49 -1.20 115.31 117.85 3h1c h LEU 297 Ca 0.08 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3h1c h LEU 297 Cb 0.86 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3h1c h LEU 297 CO 0.08 0.59 -0.37 -0.74 0.09 0.00 0.00 178.44 178.09 3h1c h HIS 298 N 0.67 0.40 -0.12 1.13 2.76 -1.20 -1.34 115.15 117.45 3h1c h HIS 298 Ca 0.16 -0.10 -0.15 0.00 -2.20 0.00 0.00 60.37 58.08 3h1c h HIS 298 Cb 0.19 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3h1c h HIS 298 CO 0.01 0.67 -0.56 0.00 -1.30 0.00 0.00 177.93 176.75 3h1c h ALA 299 N 1.32 0.82 -0.23 5.26 0.00 -0.86 -1.80 119.26 123.77 3h1c h ALA 299 Ca 0.03 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 3h1c h ALA 299 Cb 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3h1c h ALA 299 CO 0.06 0.70 -0.54 0.82 0.00 0.00 0.00 179.25 180.29 3h1c h ILE 300 N 0.27 1.29 -0.67 0.00 2.04 -1.11 -1.58 117.51 117.76 3h1c h ILE 300 Ca 0.00 -1.75 0.01 0.00 1.00 0.00 0.00 64.86 64.13 3h1c h ILE 300 Cb 1.07 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 3h1c h ILE 300 CO 0.09 0.56 0.44 -0.33 0.00 0.00 0.00 178.15 178.91 3h1c h GLU 301 N 0.51 0.87 -0.04 2.37 5.08 -1.18 -2.38 114.58 119.81 3h1c h GLU 301 Ca -0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3h1c h GLU 301 Cb 1.15 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3h1c h GLU 301 CO 0.12 0.58 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.23 3h1c h LYS 302 N 0.90 0.24 -0.27 2.33 3.64 -1.27 -3.30 116.57 118.84 3h1c h LYS 302 Ca 0.25 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3h1c h LYS 302 Cb -0.09 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3h1c h LYS 302 CO -0.06 0.87 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.89 3h1c h ASN 303 N -0.33 0.44 -0.52 4.20 -1.24 -1.15 -2.35 115.58 114.64 3h1c h ASN 303 Ca -0.02 -0.12 -0.11 0.00 0.71 0.00 0.00 56.30 56.76 3h1c h ASN 303 Cb 0.93 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.85 3h1c h ASN 303 CO 0.05 0.62 -0.11 0.58 -1.29 0.00 0.00 177.43 177.28 3h1c h VAL 304 N 0.42 1.27 0.03 2.57 2.07 -1.57 -2.76 116.25 118.28 3h1c h VAL 304 Ca 0.08 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 3h1c h VAL 304 Cb 0.50 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3h1c h VAL 304 CO 0.03 0.44 -0.01 0.58 0.02 0.00 0.00 177.57 178.63 3h1c h VAL 305 N 0.87 1.33 0.00 2.57 2.07 -1.58 -3.26 116.25 118.25 3h1c h VAL 305 Ca 0.13 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 3h1c h VAL 305 Cb 0.68 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 3h1c h VAL 305 CO 0.05 0.30 -0.36 0.03 0.02 0.00 0.00 177.57 177.60 3h1c h ARG 306 N -0.55 0.00 -0.11 1.57 3.08 -1.50 -3.06 114.38 113.81 3h1c h ARG 306 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 3h1c h ARG 306 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3h1c h ARG 306 CO 0.01 0.36 -0.69 0.77 -1.07 0.00 0.00 179.97 179.35 3h1c h SER 307 N 0.00 0.56 0.15 7.04 0.02 -1.59 -2.48 113.55 117.24 3h1c h SER 307 Ca -0.00 -0.35 -0.18 0.00 -0.84 0.00 0.00 61.79 60.42 3h1c h SER 307 Cb 0.80 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 3h1c h SER 307 CO 0.05 1.08 -0.68 0.03 -1.14 0.00 0.00 176.83 176.17 3h1c h ARG 308 N 0.33 0.48 -0.26 3.45 3.08 -1.58 -2.09 114.38 117.79 3h1c h ARG 308 Ca -0.02 -0.37 -0.17 0.00 0.07 0.00 0.00 59.98 59.49 3h1c h ARG 308 Cb 1.26 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.38 3h1c h ARG 308 CO 0.12 0.99 -0.52 0.28 -1.07 0.00 0.00 179.97 179.78 3h1c h VAL 309 N 0.34 1.29 -0.18 2.04 2.07 -1.57 -0.64 116.25 119.61 3h1c h VAL 309 Ca -0.02 -1.72 -0.19 0.00 0.82 0.00 0.00 66.70 65.59 3h1c h VAL 309 Cb 1.25 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3h1c h VAL 309 CO 0.12 0.55 -0.64 0.25 0.02 0.00 0.00 177.57 177.87 3h1c h LEU 310 N 0.59 0.76 -0.39 2.57 6.46 -1.43 -3.29 115.31 120.57 3h1c h LEU 310 Ca 0.02 -0.45 -0.18 0.00 -0.12 0.00 0.00 57.88 57.16 3h1c h LEU 310 Cb 1.09 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.80 3h1c h LEU 310 CO 0.11 1.21 -0.58 0.00 -0.62 0.00 0.00 178.44 178.56 3h1c h ALA 311 N 0.80 0.56 0.00 1.25 0.00 -1.43 -3.48 119.26 116.96 3h1c h ALA 311 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3h1c h ALA 311 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3h1c h ALA 311 CO 0.13 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.48 3h1c n GLY 312 N 0.36 0.18 3.79 0.00 0.00 -1.11 -5.11 105.19 103.28 3h1c n GLY 312 Ca -0.04 0.00 -0.35 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 0.00 3.69 0.82 1.61 2.02 -0.26 -5.01 118.70 121.56 3h1c s GLU 313 Ca 0.00 1.50 -0.13 0.00 0.02 0.00 0.00 54.97 56.36 3h1c s GLU 313 Cb 0.00 -2.14 0.08 0.00 0.10 0.00 0.00 34.13 32.17 3h1c s GLU 313 CO 0.00 -0.55 1.11 -0.35 0.02 0.00 0.00 175.26 175.49 3h1c n PRO 314 N -0.94 0.09 -0.85 0.39 -0.04 -1.26 -4.27 135.00 128.11 3h1c n PRO 314 Ca 0.09 0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 3h1c n PRO 314 Cb 0.51 -2.36 0.17 0.00 -0.04 0.00 0.00 33.50 31.78 3h1c n PRO 314 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h1c n ARG 315 N -3.14 -2.16 -0.10 0.54 1.74 -0.64 -4.82 116.66 108.09 3h1c n ARG 315 Ca 0.13 -1.25 -0.06 0.00 -0.77 0.00 0.00 57.85 55.89 3h1c n ARG 315 Cb 0.51 -1.09 0.01 0.00 -1.02 0.00 0.00 32.46 30.86 3h1c n ARG 315 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3h1c h ILE 316 N -2.18 0.88 -0.27 0.55 2.04 -1.90 -2.11 117.51 114.53 3h1c h ILE 316 Ca -0.29 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3h1c h ILE 316 Cb 0.86 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3h1c h ILE 316 CO 0.19 0.04 0.00 -0.90 0.00 0.00 0.00 178.15 177.48 3h1c n ASP 317 N -5.05 2.40 -0.52 1.72 5.75 -1.26 -4.33 116.55 115.26 3h1c n ASP 317 Ca 0.01 -2.22 -0.05 0.00 -0.01 0.00 0.00 54.79 52.51 3h1c n ASP 317 Cb 0.13 -0.42 -0.01 0.00 -1.03 0.00 0.00 41.12 39.79 3h1c n ASP 317 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1c n GLY 318 N 0.57 0.34 3.98 6.12 0.00 -0.79 -4.87 105.19 110.53 3h1c n GLY 318 Ca 0.11 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 3h1c n GLY 318 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1c s ARG 319 N -3.71 2.69 0.00 1.61 0.52 -1.26 -4.82 118.95 113.98 3h1c s ARG 319 Ca 0.00 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 3h1c s ARG 319 Cb 0.00 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.90 3h1c s ARG 319 CO 0.00 -0.54 0.00 0.39 0.02 0.00 0.00 175.30 175.17 3h1c n GLU 320 N -2.18 1.03 0.04 3.54 -0.58 -1.26 -1.62 120.64 119.61 3h1c n GLU 320 Ca 0.07 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.61 3h1c n GLU 320 Cb 0.59 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.35 3h1c n GLU 320 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3h1c h LYS 321 N 0.00 0.57 -0.00 3.49 3.64 -1.95 -3.40 116.57 118.92 3h1c h LYS 321 Ca 0.00 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 3h1c h LYS 321 Cb 0.00 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3h1c h LYS 321 CO 0.00 1.26 -0.01 -0.40 -2.27 0.00 0.00 179.45 178.03 3h1c n ASP 322 N -3.99 0.85 -4.83 4.20 5.75 -1.26 -3.08 116.55 114.18 3h1c n ASP 322 Ca -0.11 -0.92 -0.32 0.00 -0.01 0.00 0.00 54.79 53.42 3h1c n ASP 322 Cb 0.82 0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 41.11 3h1c n ASP 322 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h1c s MET 323 N -0.30 3.85 0.44 0.11 0.23 -1.26 -4.75 119.30 117.62 3h1c s MET 323 Ca 0.01 1.01 0.07 0.00 -1.03 0.00 0.00 55.69 55.75 3h1c s MET 323 Cb 0.01 -2.12 -0.03 0.00 -1.53 0.00 0.00 34.83 31.16 3h1c s MET 323 CO 0.02 -0.36 0.27 0.96 -2.03 0.00 0.00 175.02 173.88 3h1c s ILE 324 N -2.57 2.29 0.92 3.16 -4.36 -1.26 -4.68 121.20 114.70 3h1c s ILE 324 Ca 0.60 -1.56 -0.12 0.00 -0.26 0.00 0.00 60.65 59.31 3h1c s ILE 324 Cb -0.11 -2.85 0.14 0.00 1.25 0.00 0.00 42.46 40.89 3h1c s ILE 324 CO 0.31 0.00 1.13 -0.13 0.24 0.00 0.00 174.94 176.49 3h1c s ARG 325 N -4.03 1.10 0.17 0.37 0.52 -1.26 -5.00 118.95 110.83 3h1c s ARG 325 Ca 0.41 0.37 -0.31 0.00 -0.52 0.00 0.00 55.73 55.68 3h1c s ARG 325 Cb 0.01 -1.83 -0.09 0.00 0.52 0.00 0.00 34.95 33.56 3h1c s ARG 325 CO 0.24 -2.24 1.39 0.20 0.02 0.00 0.00 175.30 174.91 3h1c s GLY 326 N -3.91 2.15 -0.00 -3.53 0.00 -1.26 -4.64 107.32 96.12 3h1c s GLY 326 Ca 0.64 1.18 -0.02 0.00 0.00 0.00 0.00 44.72 46.51 3h1c s GLY 326 CO 0.54 2.27 0.18 1.08 0.00 0.00 0.00 173.10 177.17 3h1c s LEU 327 N 0.46 4.33 -0.12 0.66 1.43 -1.26 0.61 118.68 124.79 3h1c s LEU 327 Ca 0.62 0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 54.00 3h1c s LEU 327 Cb -0.38 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.26 3h1c s LEU 327 CO 0.35 0.25 0.07 -0.62 0.23 0.00 0.00 176.35 176.64 3h1c s ASP 328 N -1.99 1.95 -0.22 2.29 2.15 0.95 -4.99 116.67 116.81 3h1c s ASP 328 Ca 0.28 -0.37 -0.04 0.00 0.43 0.00 0.00 52.55 52.84 3h1c s ASP 328 Cb -0.13 -0.24 -0.01 0.00 -0.30 0.00 0.00 42.92 42.24 3h1c s ASP 328 CO 0.19 -0.31 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.18 3h1c s VAL 329 N 2.12 3.57 -0.04 1.11 1.01 -1.26 -0.76 120.40 126.15 3h1c s VAL 329 Ca 0.03 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3h1c s VAL 329 Cb -0.15 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.61 3h1c s VAL 329 CO -0.07 0.41 -0.09 -0.13 0.00 0.00 0.00 175.10 175.23 3h1c s ARG 330 N 1.45 1.15 -0.03 2.72 0.52 -1.09 -5.03 118.95 118.64 3h1c s ARG 330 Ca 0.05 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 3h1c s ARG 330 Cb -0.14 -1.04 0.00 0.00 0.52 0.00 0.00 34.95 34.29 3h1c s ARG 330 CO -0.02 0.03 -0.10 0.99 0.02 0.00 0.00 175.30 176.23 3h1c s THR 331 N 0.56 0.84 0.00 0.02 2.01 -1.26 -0.76 115.64 117.04 3h1c s THR 331 Ca -0.09 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.51 3h1c s THR 331 Cb -0.13 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.65 3h1c s THR 331 CO 0.01 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 3h1c n GLY 332 N 3.23 1.00 0.13 4.40 0.00 -1.19 -5.01 105.19 107.76 3h1c n GLY 332 Ca -0.18 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 1.33 -3.14 1.61 2.07 -1.87 -3.45 116.25 112.79 3h1c h VAL 333 Ca 0.00 -1.19 -0.67 0.00 0.82 0.00 0.00 66.70 65.65 3h1c h VAL 333 Cb 0.52 1.79 -0.12 0.00 -1.52 0.00 0.00 31.29 31.96 3h1c h VAL 333 CO 0.00 0.35 -0.59 -0.76 0.02 0.00 0.00 177.57 176.59 3h1c s LEU 334 N -9.20 3.80 -0.11 2.57 1.43 -1.26 -5.05 118.68 110.86 3h1c s LEU 334 Ca -0.14 0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 52.88 3h1c s LEU 334 Cb 0.05 -1.98 -0.24 0.00 0.03 0.00 0.00 46.19 44.05 3h1c s LEU 334 CO 0.74 0.35 0.88 1.55 0.23 0.00 0.00 176.35 180.11 3h1c h PRO 335 N 4.83 -0.00 -1.71 1.29 0.13 -2.00 -3.39 132.00 131.15 3h1c h PRO 335 Ca -0.51 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.90 3h1c h PRO 335 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 3h1c h PRO 335 CO 0.57 0.84 0.75 0.54 -0.23 0.00 0.00 178.00 180.47 3h1c n ARG 336 N -4.68 2.85 -4.03 0.86 5.12 -1.26 -4.93 116.66 110.59 3h1c n ARG 336 Ca -0.09 -3.62 -0.07 0.00 -1.93 0.00 0.00 57.85 52.13 3h1c n ARG 336 Cb 0.41 -2.27 -0.09 0.00 -1.16 0.00 0.00 32.46 29.35 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 -5.07 0.20 -0.01 0.55 -1.32 -1.26 -5.09 115.64 103.64 3h1c s THR 337 Ca 0.54 -1.66 -0.25 0.00 -1.21 0.00 0.00 61.69 59.12 3h1c s THR 337 Cb 0.45 -1.47 -0.18 0.00 -1.51 0.00 0.00 72.50 69.79 3h1c s THR 337 CO -0.30 -0.92 1.21 0.45 -2.21 0.00 0.00 174.62 172.85 3h1c h HIS 338 N 3.07 -0.20 -4.26 9.09 -0.00 -1.92 -3.45 115.15 117.47 3h1c h HIS 338 Ca -0.34 -0.00 -0.69 0.00 -0.00 0.00 0.00 60.37 59.33 3h1c h HIS 338 Cb 1.15 0.07 -0.26 0.00 -0.00 0.00 0.00 27.41 28.37 3h1c h HIS 338 CO 0.51 0.18 -0.82 0.20 -0.00 0.00 0.00 177.93 178.00 3h1c s GLY 339 N -2.95 1.43 -0.03 2.45 0.00 -0.38 -3.33 107.32 104.51 3h1c s GLY 339 Ca -0.14 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 3h1c s GLY 339 CO 0.58 -0.87 0.05 -0.56 0.00 0.00 0.00 173.10 172.30 3h1c s SER 340 N -0.76 -0.02 -0.15 1.64 0.01 -1.26 -2.87 113.70 110.30 3h1c s SER 340 Ca 0.11 0.10 -0.19 0.00 1.31 0.00 0.00 55.95 57.28 3h1c s SER 340 Cb -0.10 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.23 3h1c s SER 340 CO 0.00 -0.08 0.51 0.00 0.41 0.00 0.00 173.24 174.09 3h1c s ALA 341 N 0.57 -1.28 -0.41 1.44 0.00 -0.41 -3.14 121.76 118.52 3h1c s ALA 341 Ca -0.05 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.22 3h1c s ALA 341 Cb -0.06 -0.59 0.16 0.00 0.00 0.00 0.00 23.12 22.62 3h1c s ALA 341 CO -0.02 -0.27 0.30 -1.17 0.00 0.00 0.00 175.76 174.60 3h1c s LEU 342 N -0.18 1.51 -0.14 0.00 2.96 0.06 -1.68 118.68 121.22 3h1c s LEU 342 Ca -0.04 -2.80 -0.22 0.00 -0.22 0.00 0.00 54.13 50.85 3h1c s LEU 342 Cb -0.03 -0.52 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 3h1c s LEU 342 CO 0.03 -0.22 0.66 0.12 -1.32 0.00 0.00 176.35 175.63 3h1c s PHE 343 N 0.32 3.47 -0.10 5.38 5.36 -1.21 -2.69 117.98 128.51 3h1c s PHE 343 Ca 0.27 1.08 0.01 0.00 -0.96 0.00 0.00 56.93 57.33 3h1c s PHE 343 Cb -0.07 -2.80 0.02 0.00 -0.34 0.00 0.00 43.02 39.83 3h1c s PHE 343 CO -0.12 -0.06 -0.13 0.99 -1.46 0.00 0.00 175.22 174.44 3h1c s THR 344 N 1.42 1.34 -0.43 0.12 2.01 0.06 -2.17 115.64 118.00 3h1c s THR 344 Ca 0.33 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.82 3h1c s THR 344 Cb -0.16 -1.24 0.11 0.00 0.01 0.00 0.00 72.50 71.22 3h1c s THR 344 CO 0.13 0.41 0.15 -0.60 -0.69 0.00 0.00 174.62 174.02 3h1c s ARG 345 N 1.03 1.72 1.73 4.92 3.52 -0.01 -0.03 118.95 131.83 3h1c s ARG 345 Ca -0.07 -2.25 0.00 0.00 -0.13 0.00 0.00 55.73 53.29 3h1c s ARG 345 Cb -0.15 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 3h1c s ARG 345 CO -0.01 -1.02 0.00 0.41 -0.81 0.00 0.00 175.30 173.86 3h1c n GLY 346 N 3.69 1.29 0.01 8.12 0.00 0.20 -2.11 105.19 116.39 3h1c n GLY 346 Ca 0.04 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.40 3h1c n GLY 346 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h1c n GLU 347 N 0.00 1.22 -2.75 1.61 1.02 -1.26 -4.92 120.64 115.56 3h1c n GLU 347 Ca 0.00 -0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 3h1c n GLU 347 Cb 0.00 -1.10 -0.05 0.00 -0.02 0.00 0.00 31.44 30.28 3h1c n GLU 347 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3h1c s THR 348 N -2.22 4.61 0.06 2.62 -4.23 -0.90 -4.27 115.64 111.31 3h1c s THR 348 Ca -0.02 1.04 -0.27 0.00 -1.18 0.00 0.00 61.69 61.27 3h1c s THR 348 Cb 0.02 -3.68 0.09 0.00 1.34 0.00 0.00 72.50 70.27 3h1c s THR 348 CO 0.16 -0.48 0.77 0.00 -0.54 0.00 0.00 174.62 174.53 3h1c s GLN 349 N -3.64 1.01 -0.19 3.99 -2.07 -1.09 -0.83 119.66 116.84 3h1c s GLN 349 Ca 0.56 -0.34 -0.07 0.00 -1.82 0.00 0.00 55.36 53.69 3h1c s GLN 349 Cb -0.10 0.47 0.08 0.00 -1.09 0.00 0.00 33.01 32.37 3h1c s GLN 349 CO 0.25 -0.43 0.41 0.00 -1.32 0.00 0.00 175.29 174.20 3h1c s ALA 350 N -3.25 -1.10 -0.68 2.60 0.00 -0.92 -2.71 121.76 115.71 3h1c s ALA 350 Ca 0.03 1.48 -0.25 0.00 0.00 0.00 0.00 51.96 53.22 3h1c s ALA 350 Cb -0.01 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.95 3h1c s ALA 350 CO -0.10 -0.62 1.13 -1.17 0.00 0.00 0.00 175.76 175.01 3h1c s LEU 351 N 2.27 3.70 -0.17 0.00 2.96 0.83 -3.31 118.68 124.96 3h1c s LEU 351 Ca -0.04 -0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 3h1c s LEU 351 Cb -0.11 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 3h1c s LEU 351 CO -0.13 -1.61 0.03 -0.69 -1.32 0.00 0.00 176.35 172.64 3h1c s VAL 352 N 4.91 4.49 0.10 1.68 1.01 -0.68 -0.52 120.40 131.39 3h1c s VAL 352 Ca 0.31 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.24 3h1c s VAL 352 Cb -0.11 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3h1c s VAL 352 CO 0.15 0.48 -0.23 0.42 0.00 0.00 0.00 175.10 175.91 3h1c s THR 353 N 0.31 1.90 -0.02 3.92 -4.23 0.45 -1.29 115.64 116.68 3h1c s THR 353 Ca 0.01 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 59.05 3h1c s THR 353 Cb -0.13 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 3h1c s THR 353 CO 0.01 0.06 -0.24 0.00 -0.54 0.00 0.00 174.62 173.90 3h1c s ALA 354 N -1.05 2.25 -0.05 3.99 0.00 -1.14 -1.10 121.76 124.66 3h1c s ALA 354 Ca 0.09 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.95 3h1c s ALA 354 Cb -0.10 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3h1c s ALA 354 CO 0.04 0.53 -0.08 0.99 0.00 0.00 0.00 175.76 177.25 3h1c s THR 355 N -0.65 0.78 0.08 0.00 2.01 0.16 -1.25 115.64 116.76 3h1c s THR 355 Ca 0.10 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 61.78 3h1c s THR 355 Cb -0.10 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 3h1c s THR 355 CO -0.00 0.28 0.32 -0.76 -0.69 0.00 0.00 174.62 173.76 3h1c s LEU 356 N 0.79 4.32 0.34 4.42 1.43 -1.26 -0.89 118.68 127.84 3h1c s LEU 356 Ca -0.13 0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 3h1c s LEU 356 Cb -0.15 -3.01 0.03 0.00 0.03 0.00 0.00 46.19 43.09 3h1c s LEU 356 CO 0.02 0.15 0.67 -0.83 0.23 0.00 0.00 176.35 176.59 3h1c s GLY 357 N -2.14 0.51 0.67 -3.19 0.00 0.07 -4.98 107.32 98.25 3h1c s GLY 357 Ca 0.35 -0.82 -0.04 0.00 0.00 0.00 0.00 44.72 44.21 3h1c s GLY 357 CO 0.22 -0.44 0.94 -0.51 0.00 0.00 0.00 173.10 173.31 3h1c s THR 358 N -3.04 2.38 0.46 0.90 -4.23 -1.26 -1.76 115.64 109.08 3h1c s THR 358 Ca 0.18 -0.44 0.40 0.00 -1.18 0.00 0.00 61.69 60.66 3h1c s THR 358 Cb -0.04 -2.94 0.42 0.00 1.34 0.00 0.00 72.50 71.28 3h1c s THR 358 CO 0.12 0.00 2.22 0.00 -0.54 0.00 0.00 174.62 176.42 3h1c h ALA 359 N -0.41 1.03 0.00 3.99 0.00 -1.96 -1.55 119.26 120.37 3h1c h ALA 359 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3h1c h ALA 359 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3h1c h ALA 359 CO 0.54 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3h1c h ARG 360 N 0.00 0.00 -0.63 0.00 3.08 -2.02 -3.07 114.38 111.74 3h1c h ARG 360 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h1c h ARG 360 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3h1c h ARG 360 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 3h1c n ASP 361 N -2.40 3.94 -4.77 7.04 8.00 -0.58 -4.93 116.55 122.84 3h1c n ASP 361 Ca 0.04 -2.36 -0.39 0.00 0.71 0.00 0.00 54.79 52.79 3h1c n ASP 361 Cb 0.37 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.79 3.45 0.02 2.24 0.00 -1.16 -4.97 121.76 119.56 3h1c s ALA 362 Ca 0.41 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 3h1c s ALA 362 Cb 0.27 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 3h1c s ALA 362 CO 0.20 0.27 1.08 -1.14 0.00 0.00 0.00 175.76 176.17 3h1c s GLN 363 N -0.98 4.50 -0.49 0.00 0.74 -1.20 -4.89 119.66 117.33 3h1c s GLN 363 Ca 0.35 1.58 -0.18 0.00 0.05 0.00 0.00 55.36 57.16 3h1c s GLN 363 Cb -0.22 -3.41 0.06 0.00 1.10 0.00 0.00 33.01 30.53 3h1c s GLN 363 CO 0.25 -0.15 0.58 0.08 -0.55 0.00 0.00 175.29 175.50 3h1c s VAL 364 N 1.07 4.94 -0.23 1.34 1.01 -1.26 -1.35 120.40 125.92 3h1c s VAL 364 Ca 0.55 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3h1c s VAL 364 Cb -0.25 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.89 3h1c s VAL 364 CO 0.28 -0.74 1.10 -0.76 0.00 0.00 0.00 175.10 174.99 3h1c s LEU 365 N 2.45 4.09 -1.34 3.92 1.43 0.00 -4.95 118.68 124.28 3h1c s LEU 365 Ca 0.13 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.52 3h1c s LEU 365 Cb -0.20 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.61 3h1c s LEU 365 CO 0.11 -0.73 2.01 -0.67 0.23 0.00 0.00 176.35 177.30 3h1c n ASP 366 N 6.50 4.70 -4.85 2.29 2.03 -1.26 -2.98 116.55 122.98 3h1c n ASP 366 Ca 0.13 -3.02 -0.32 0.00 0.52 0.00 0.00 54.79 52.10 3h1c n ASP 366 Cb 0.46 -1.54 -0.04 0.00 -0.72 0.00 0.00 41.12 39.29 3h1c n ASP 366 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3h1c s GLU 367 N 1.32 3.92 0.04 -0.67 2.56 -1.26 -5.01 118.70 119.60 3h1c s GLU 367 Ca 0.42 0.86 -0.20 0.00 0.00 0.00 0.00 54.97 56.05 3h1c s GLU 367 Cb 0.11 -2.19 -0.15 0.00 2.00 0.00 0.00 34.13 33.90 3h1c s GLU 367 CO -0.03 -0.21 1.33 1.25 -0.56 0.00 0.00 175.26 177.03 3h1c h LEU 368 N 1.03 0.38 -0.41 2.70 5.85 -1.99 -3.32 115.31 119.55 3h1c h LEU 368 Ca -0.47 -0.50 -0.17 0.00 0.84 0.00 0.00 57.88 57.58 3h1c h LEU 368 Cb 1.18 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3h1c h LEU 368 CO 0.62 0.81 -0.54 0.24 -0.34 0.00 0.00 178.44 179.22 3h1c h MET 369 N -0.03 0.72 -1.40 1.25 2.86 -1.95 -3.46 114.93 112.92 3h1c h MET 369 Ca 0.02 -0.45 0.12 0.00 -2.06 0.00 0.00 59.70 57.33 3h1c h MET 369 Cb 0.71 0.05 -0.27 0.00 0.06 0.00 0.00 31.60 32.15 3h1c h MET 369 CO 0.04 1.08 0.65 0.20 1.06 0.00 0.00 176.91 179.93 3h1c s GLY 370 N -4.04 -0.06 -0.01 8.32 0.00 -1.25 -4.79 107.32 105.50 3h1c s GLY 370 Ca -0.09 2.64 -0.30 0.00 0.00 0.00 0.00 44.72 46.96 3h1c s GLY 370 CO 0.87 1.46 1.45 1.85 0.00 0.00 0.00 173.10 178.72 3h1c s GLU 371 N -0.47 4.26 0.05 2.90 2.12 -1.26 -4.24 118.70 122.06 3h1c s GLU 371 Ca 0.03 2.01 0.01 0.00 0.36 0.00 0.00 54.97 57.39 3h1c s GLU 371 Cb -0.03 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 3h1c s GLU 371 CO -0.06 -0.63 -0.06 -0.98 -0.54 0.00 0.00 175.26 173.00 3h1c s ARG 372 N 2.64 0.54 0.12 4.30 1.70 -1.16 -5.02 118.95 122.07 3h1c s ARG 372 Ca 0.65 -0.88 0.08 0.00 -0.47 0.00 0.00 55.73 55.12 3h1c s ARG 372 Cb -0.32 -0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 33.88 3h1c s ARG 372 CO 0.27 -0.00 -0.13 -0.08 -1.08 0.00 0.00 175.30 174.27 3h1c s THR 373 N -2.06 3.13 -0.18 4.99 -1.32 -1.26 -0.82 115.64 118.12 3h1c s THR 373 Ca -0.06 -1.40 -0.02 0.00 -1.21 0.00 0.00 61.69 59.00 3h1c s THR 373 Cb -0.05 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.47 3h1c s THR 373 CO -0.02 0.09 -0.10 -1.81 -2.21 0.00 0.00 174.62 170.57 3h1c s ASP 374 N -2.23 4.03 -0.13 8.08 1.11 -0.45 -4.95 116.67 122.13 3h1c s ASP 374 Ca 0.20 -0.40 -0.20 0.00 0.18 0.00 0.00 52.55 52.33 3h1c s ASP 374 Cb -0.11 -1.66 -0.26 0.00 1.07 0.00 0.00 42.92 41.97 3h1c s ASP 374 CO 0.12 0.05 0.56 0.74 1.18 0.00 0.00 175.17 177.82 3h1c h THR 375 N 5.62 1.19 -3.30 -1.27 2.02 -1.94 -3.18 112.91 112.05 3h1c h THR 375 Ca -0.36 -2.36 -0.58 0.00 0.77 0.00 0.00 66.41 63.88 3h1c h THR 375 Cb 1.18 2.78 -0.09 0.00 -1.74 0.00 0.00 68.15 70.28 3h1c h THR 375 CO 0.59 0.60 -0.21 0.12 0.37 0.00 0.00 175.52 176.99 3h1c s PHE 376 N -2.40 3.50 -0.05 3.16 5.36 -1.26 -2.40 117.98 123.89 3h1c s PHE 376 Ca -0.21 0.78 0.03 0.00 -0.96 0.00 0.00 56.93 56.56 3h1c s PHE 376 Cb 0.03 -2.46 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 3h1c s PHE 376 CO 0.72 0.21 -0.12 -0.51 -1.46 0.00 0.00 175.22 174.07 3h1c s LEU 377 N 0.51 1.70 -0.07 6.12 1.43 -0.60 -5.02 118.68 122.76 3h1c s LEU 377 Ca 0.22 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3h1c s LEU 377 Cb -0.14 -0.74 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 3h1c s LEU 377 CO 0.08 0.06 -0.21 0.12 0.23 0.00 0.00 176.35 176.62 3h1c s PHE 378 N 0.45 2.17 -0.07 0.29 5.36 -1.26 -0.24 117.98 124.68 3h1c s PHE 378 Ca -0.09 -0.73 0.02 0.00 -0.96 0.00 0.00 56.93 55.17 3h1c s PHE 378 Cb -0.13 -1.45 0.01 0.00 -0.34 0.00 0.00 43.02 41.11 3h1c s PHE 378 CO 0.02 -0.26 -0.13 -1.01 -1.46 0.00 0.00 175.22 172.38 3h1c s HIS 379 N 0.10 1.60 -0.11 10.12 3.76 0.11 -4.78 115.29 126.09 3h1c s HIS 379 Ca -0.09 -0.62 -0.00 0.00 -0.15 0.00 0.00 55.06 54.20 3h1c s HIS 379 Cb -0.14 -1.16 -0.02 0.00 1.11 0.00 0.00 32.58 32.36 3h1c s HIS 379 CO 0.05 -0.31 -0.11 -0.47 -0.85 0.00 0.00 174.74 173.05 3h1c s TYR 380 N 0.69 2.85 -0.09 1.40 5.04 -1.26 -0.97 117.35 125.00 3h1c s TYR 380 Ca -0.14 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 3h1c s TYR 380 Cb -0.16 -1.81 0.02 0.00 0.35 0.00 0.00 41.96 40.36 3h1c s TYR 380 CO 0.04 -0.05 -0.08 -0.80 -1.34 0.00 0.00 175.55 173.32 3h1c s ASN 381 N 0.03 1.92 -0.58 4.32 0.01 -0.99 -4.78 114.94 114.88 3h1c s ASN 381 Ca -0.03 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 51.86 3h1c s ASN 381 Cb -0.14 -0.78 0.15 0.00 0.41 0.00 0.00 41.25 40.88 3h1c s ASN 381 CO 0.04 -0.07 0.35 0.12 -1.51 0.00 0.00 177.10 176.03 3h1c s PHE 382 N 1.35 3.30 0.60 2.20 5.36 -1.26 -2.49 117.98 127.03 3h1c s PHE 382 Ca -0.02 -3.02 -0.13 0.00 -0.96 0.00 0.00 56.93 52.81 3h1c s PHE 382 Cb -0.14 -2.97 -0.05 0.00 -0.34 0.00 0.00 43.02 39.53 3h1c s PHE 382 CO -0.04 -0.77 1.02 -2.14 -1.46 0.00 0.00 175.22 171.84 3h1c s PRO 383 N -0.31 3.62 0.57 10.12 0.02 -1.26 -4.98 135.00 142.77 3h1c s PRO 383 Ca 0.18 0.84 0.35 0.00 0.02 0.00 0.00 61.00 62.39 3h1c s PRO 383 Cb -0.22 -2.08 1.59 0.00 0.02 0.00 0.00 34.50 33.80 3h1c s PRO 383 CO -0.02 -0.55 2.07 -1.00 -0.33 0.00 0.00 177.00 177.17 3h1c h PRO 384 N -0.02 0.00 0.00 5.54 0.13 -1.91 -3.08 132.00 132.66 3h1c h PRO 384 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3h1c h PRO 384 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3h1c h PRO 384 CO 0.61 0.02 -0.09 0.10 -0.23 0.00 0.00 178.00 178.41 3h1c h TYR 385 N 0.00 0.00 -4.06 1.56 -0.00 -1.94 -2.45 116.97 110.08 3h1c h TYR 385 Ca -0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 58.73 58.25 3h1c h TYR 385 Cb 0.40 0.00 0.04 0.00 -0.00 0.00 0.00 36.73 37.17 3h1c h TYR 385 CO 0.00 0.09 0.41 -1.54 -0.00 0.00 0.00 178.16 177.11 3h1c s SER 386 N -5.87 6.25 0.00 0.10 1.04 -1.17 -3.15 113.70 110.91 3h1c s SER 386 Ca -0.00 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.45 3h1c s SER 386 Cb 0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.65 3h1c s SER 386 CO 0.57 -0.84 0.00 0.52 0.98 0.00 0.00 173.24 174.46 3h1c n VAL 387 N -0.89 0.00 -2.69 5.02 0.31 -1.26 -4.04 118.33 114.77 3h1c n VAL 387 Ca 0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.32 3h1c n VAL 387 Cb 0.51 -0.58 0.05 0.00 -0.91 0.00 0.00 33.84 32.92 3h1c n VAL 387 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h1c n GLY 388 N -1.43 -0.45 3.30 2.92 0.00 -1.19 -5.05 105.19 103.28 3h1c n GLY 388 Ca 0.00 0.28 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 3h1c n GLY 388 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1c s GLU 389 N -4.00 1.70 -0.06 1.61 2.02 -0.92 -5.07 118.70 113.99 3h1c s GLU 389 Ca 0.29 -1.98 0.05 0.00 0.02 0.00 0.00 54.97 53.34 3h1c s GLU 389 Cb -0.04 0.22 -0.00 0.00 0.10 0.00 0.00 34.13 34.41 3h1c s GLU 389 CO 0.50 -0.60 -0.20 0.95 0.02 0.00 0.00 175.26 175.93 3h1c s THR 390 N -3.52 1.69 0.22 3.63 -4.23 -1.26 -4.02 115.64 108.16 3h1c s THR 390 Ca 0.39 -0.85 -0.14 0.00 -1.18 0.00 0.00 61.69 59.91 3h1c s THR 390 Cb 0.03 -1.45 0.01 0.00 1.34 0.00 0.00 72.50 72.42 3h1c s THR 390 CO 0.24 0.48 0.47 -0.83 -0.54 0.00 0.00 174.62 174.44 3h1c s GLY 391 N 0.07 0.29 -1.18 3.99 0.00 -1.26 -5.07 107.32 104.16 3h1c s GLY 391 Ca -0.07 -0.64 -0.19 0.00 0.00 0.00 0.00 44.72 43.82 3h1c s GLY 391 CO 0.04 -0.52 1.56 1.06 0.00 0.00 0.00 173.10 175.24 3h1c s MET 392 N -3.96 3.87 -0.40 2.90 -1.94 -1.26 -4.90 119.30 113.61 3h1c s MET 392 Ca 0.17 -1.85 -0.28 0.00 -1.71 0.00 0.00 55.69 52.02 3h1c s MET 392 Cb -0.00 -5.36 -0.03 0.00 2.01 0.00 0.00 34.83 31.45 3h1c s MET 392 CO 0.04 -2.12 1.91 0.54 -0.01 0.00 0.00 175.02 175.38 3h1c s VAL 393 N 3.85 3.36 -0.00 -6.03 0.11 -1.26 -4.69 120.40 115.74 3h1c s VAL 393 Ca 0.48 0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 59.85 3h1c s VAL 393 Cb 0.01 -3.59 -0.00 0.00 -1.53 0.00 0.00 36.38 31.27 3h1c s VAL 393 CO 0.01 -0.45 -0.02 0.61 -3.33 0.00 0.00 175.10 171.92 3h1c n GLY 394 N 5.58 -0.14 3.79 6.54 0.00 -1.26 -5.14 105.19 114.55 3h1c n GLY 394 Ca 0.24 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 3h1c n GLY 394 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1c s SER 395 N -4.77 -0.17 0.01 1.61 0.01 -1.26 -5.12 113.70 104.02 3h1c s SER 395 Ca -0.01 -0.76 -0.14 0.00 1.31 0.00 0.00 55.95 56.35 3h1c s SER 395 Cb 0.00 0.71 -0.07 0.00 0.21 0.00 0.00 66.02 66.87 3h1c s SER 395 CO 0.02 -1.34 0.36 -0.81 0.41 0.00 0.00 173.24 171.88 3h1c n PRO 396 N -0.45 0.00 0.00 12.44 -0.04 -1.26 -4.94 135.00 140.74 3h1c n PRO 396 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3h1c n PRO 396 Cb 0.60 -0.52 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 3h1c n PRO 396 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3h1c n LYS 397 N 0.52 2.53 -0.07 0.54 5.02 -1.26 -5.01 118.16 120.44 3h1c n LYS 397 Ca 0.07 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.16 3h1c n LYS 397 Cb 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.93 3h1c n LYS 397 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h1c n ARG 398 N 0.00 0.69 0.08 1.97 1.74 -1.26 -4.06 116.66 115.82 3h1c n ARG 398 Ca 0.00 0.24 0.04 0.00 -0.77 0.00 0.00 57.85 57.36 3h1c n ARG 398 Cb 0.00 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 29.80 3h1c n ARG 398 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h1c h ARG 399 N -0.13 0.00 0.00 5.56 3.08 -1.99 -3.17 114.38 117.74 3h1c h ARG 399 Ca -0.51 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.51 3h1c h ARG 399 Cb 1.89 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.94 3h1c h ARG 399 CO -0.05 0.23 -0.14 0.93 -1.07 0.00 0.00 179.97 179.88 3h1c h GLU 400 N 0.00 0.00 0.07 0.04 5.08 -1.89 0.82 114.58 118.70 3h1c h GLU 400 Ca -0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3h1c h GLU 400 Cb 1.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.62 3h1c h GLU 400 CO 0.03 0.14 -0.46 0.82 -1.00 0.00 0.00 179.01 178.54 3h1c h ILE 401 N 0.00 1.62 -0.68 3.13 2.04 -1.70 -3.06 117.51 118.86 3h1c h ILE 401 Ca -0.00 -2.41 -0.07 0.00 1.00 0.00 0.00 64.86 63.37 3h1c h ILE 401 Cb 0.31 3.23 -0.03 0.00 -0.74 0.00 0.00 36.82 39.59 3h1c h ILE 401 CO 0.02 0.66 0.13 1.23 0.00 0.00 0.00 178.15 180.19 3h1c h GLY 402 N -0.61 1.19 2.00 5.37 0.00 -1.47 -2.46 103.07 107.08 3h1c h GLY 402 Ca -0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.46 3h1c h GLY 402 CO 0.09 0.71 -0.09 0.45 0.00 0.00 0.00 176.54 177.70 3h1c h HIS 403 N 1.04 0.00 -0.15 5.60 3.86 -1.00 -1.99 115.15 122.50 3h1c h HIS 403 Ca 0.21 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.30 3h1c h HIS 403 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 3h1c h HIS 403 CO 0.03 0.09 -0.35 0.78 0.86 0.00 0.00 177.93 179.34 3h1c h GLY 404 N 3.00 0.56 2.00 2.45 0.00 -1.36 -2.67 103.07 107.06 3h1c h GLY 404 Ca -0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 47.33 46.52 3h1c h GLY 404 CO 0.01 0.61 -0.59 -0.09 0.00 0.00 0.00 176.54 176.48 3h1c h ARG 405 N 0.14 0.00 -0.22 4.80 9.65 -1.46 -2.07 114.38 125.22 3h1c h ARG 405 Ca -0.00 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3h1c h ARG 405 Cb 0.96 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.52 3h1c h ARG 405 CO 0.08 0.59 0.10 1.25 2.80 0.00 0.00 179.97 184.79 3h1c h LEU 406 N 0.00 0.14 -0.47 3.80 6.46 -1.34 -0.15 115.31 123.74 3h1c h LEU 406 Ca -0.01 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.69 3h1c h LEU 406 Cb 1.14 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.05 3h1c h LEU 406 CO 0.08 0.11 -0.37 0.00 -0.62 0.00 0.00 178.44 177.64 3h1c h ALA 407 N 1.12 0.84 -0.41 1.25 0.00 -1.46 -3.07 119.26 117.54 3h1c h ALA 407 Ca 0.09 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3h1c h ALA 407 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3h1c h ALA 407 CO -0.07 0.46 -0.21 -0.22 0.00 0.00 0.00 179.25 179.21 3h1c h LYS 408 N 0.00 0.86 0.00 0.00 3.64 -0.98 -3.08 116.57 117.02 3h1c h LYS 408 Ca -0.00 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 58.94 3h1c h LYS 408 Cb 1.10 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3h1c h LYS 408 CO 0.05 1.03 -0.25 0.00 -2.27 0.00 0.00 179.45 178.01 3h1c h ARG 409 N 0.68 0.00 0.00 1.90 3.08 -1.01 0.21 114.38 119.23 3h1c h ARG 409 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3h1c h ARG 409 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3h1c h ARG 409 CO 0.06 0.25 0.00 0.41 -1.07 0.00 0.00 179.97 179.62 3h1c n GLY 410 N -0.08 -1.63 0.00 0.04 0.00 -1.16 -3.81 105.19 98.55 3h1c n GLY 410 Ca -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.03 0.03 -0.32 1.61 0.31 -1.05 -4.75 118.33 112.13 3h1c n VAL 411 Ca 0.06 -0.12 0.06 0.00 -0.01 0.00 0.00 64.34 64.33 3h1c n VAL 411 Cb 0.40 0.25 0.22 0.00 -0.91 0.00 0.00 33.84 33.80 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 0.70 -0.87 7.52 5.85 -1.06 -0.29 115.31 127.15 3h1c h LEU 412 Ca -0.01 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 3h1c h LEU 412 Cb 0.34 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3h1c h LEU 412 CO 0.00 0.34 -0.54 0.00 -0.34 0.00 0.00 178.44 177.90 3h1c h ALA 413 N 1.53 1.06 0.02 1.25 0.00 -1.85 -3.09 119.26 118.18 3h1c h ALA 413 Ca 0.46 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3h1c h ALA 413 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3h1c h ALA 413 CO -0.31 0.68 -0.95 0.28 0.00 0.00 0.00 179.25 178.96 3h1c h VAL 414 N 0.04 1.56 -2.66 0.00 2.07 -1.50 -3.47 116.25 112.30 3h1c h VAL 414 Ca -0.00 -2.90 -0.52 0.00 0.82 0.00 0.00 66.70 64.09 3h1c h VAL 414 Cb 0.97 2.63 0.06 0.00 -1.52 0.00 0.00 31.29 33.43 3h1c h VAL 414 CO 0.07 0.84 1.01 -0.32 0.02 0.00 0.00 177.57 179.20 3h1c s MET 415 N -3.00 4.13 0.72 1.57 0.00 -0.25 -2.88 119.30 119.59 3h1c s MET 415 Ca -0.02 2.59 -0.13 0.00 0.00 0.00 0.00 55.69 58.13 3h1c s MET 415 Cb 0.10 -3.13 0.03 0.00 0.00 0.00 0.00 34.83 31.83 3h1c s MET 415 CO 0.83 -0.75 1.12 -1.25 0.00 0.00 0.00 175.02 174.97 3h1c s PRO 416 N 1.33 2.44 0.91 4.11 0.04 -1.26 -4.96 135.00 137.61 3h1c s PRO 416 Ca 0.75 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 3h1c s PRO 416 Cb -0.49 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.29 3h1c s PRO 416 CO 0.32 -1.53 1.19 0.16 0.04 0.00 0.00 177.00 177.18 3h1c s ASP 417 N -2.75 3.59 0.37 6.66 -4.77 -1.26 -4.90 116.67 113.62 3h1c s ASP 417 Ca 0.66 0.74 0.16 0.00 -3.30 0.00 0.00 52.55 50.82 3h1c s ASP 417 Cb -0.21 -1.16 0.73 0.00 -1.09 0.00 0.00 42.92 41.20 3h1c s ASP 417 CO 0.47 -2.47 1.78 0.24 0.70 0.00 0.00 175.17 175.89 3h1c h MET 418 N -1.45 0.00 -0.43 2.11 2.86 -1.97 -2.41 114.93 113.64 3h1c h MET 418 Ca -0.47 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.08 3h1c h MET 418 Cb 1.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.96 3h1c h MET 418 CO 0.57 0.38 -0.08 -0.44 1.06 0.00 0.00 176.91 178.40 3h1c h ASP 419 N 0.00 0.82 0.68 1.22 3.32 -2.00 -2.87 116.42 117.59 3h1c h ASP 419 Ca -0.00 -0.35 -0.26 0.00 0.02 0.00 0.00 57.03 56.43 3h1c h ASP 419 Cb 0.79 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 3h1c h ASP 419 CO 0.05 0.98 -1.40 0.11 -1.72 0.00 0.00 179.24 177.26 3h1c h LYS 420 N 0.65 0.04 -2.59 3.56 1.57 -1.96 -3.43 116.57 114.41 3h1c h LYS 420 Ca 0.11 -0.07 -0.50 0.00 -1.87 0.00 0.00 60.65 58.32 3h1c h LYS 420 Cb 0.61 0.03 -0.38 0.00 0.08 0.00 0.00 32.23 32.57 3h1c h LYS 420 CO 0.04 0.80 -0.77 0.12 -0.57 0.00 0.00 179.45 179.07 3h1c s PHE 421 N -2.65 0.26 -1.25 -1.35 5.36 -0.91 -5.06 117.98 112.38 3h1c s PHE 421 Ca -0.03 -0.95 -0.06 0.00 -0.96 0.00 0.00 56.93 54.93 3h1c s PHE 421 Cb 0.09 -0.81 0.18 0.00 -0.34 0.00 0.00 43.02 42.14 3h1c s PHE 421 CO 0.83 -0.85 2.04 -0.35 -1.46 0.00 0.00 175.22 175.42 3h1c n PRO 422 N 4.91 4.31 -3.88 10.12 -0.04 -1.09 -4.13 135.00 145.21 3h1c n PRO 422 Ca -0.00 -3.73 -0.12 0.00 -0.04 0.00 0.00 63.50 59.61 3h1c n PRO 422 Cb 0.42 -2.71 -0.13 0.00 -0.04 0.00 0.00 33.50 31.03 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 -1.10 0.01 -0.18 0.54 1.51 -1.26 -4.85 117.35 112.01 3h1c s TYR 423 Ca 0.44 -0.01 -0.25 0.00 -1.01 0.00 0.00 57.07 56.25 3h1c s TYR 423 Cb 0.14 -0.02 -0.01 0.00 -0.11 0.00 0.00 41.96 41.96 3h1c s TYR 423 CO -0.04 -0.04 0.81 0.95 -1.11 0.00 0.00 175.55 176.12 3h1c s THR 424 N -0.21 4.89 -0.14 -0.71 -4.23 -0.72 -4.90 115.64 109.61 3h1c s THR 424 Ca -0.02 1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 62.05 3h1c s THR 424 Cb -0.02 -4.11 -0.01 0.00 1.34 0.00 0.00 72.50 69.70 3h1c s THR 424 CO -0.00 0.02 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.29 3h1c s VAL 425 N 2.22 3.11 -0.21 2.29 1.01 -1.01 -0.75 120.40 127.06 3h1c s VAL 425 Ca 0.37 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 3h1c s VAL 425 Cb -0.16 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3h1c s VAL 425 CO 0.11 0.51 -0.06 -0.60 0.00 0.00 0.00 175.10 175.07 3h1c s ARG 426 N 0.50 3.37 -0.22 2.72 3.52 -0.06 -1.56 118.95 127.21 3h1c s ARG 426 Ca -0.08 -0.64 -0.04 0.00 -0.13 0.00 0.00 55.73 54.84 3h1c s ARG 426 Cb -0.16 -2.95 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 3h1c s ARG 426 CO 0.04 -0.15 -0.03 0.08 -0.81 0.00 0.00 175.30 174.43 3h1c s VAL 427 N 1.33 3.43 -0.15 7.11 1.01 0.66 -0.67 120.40 133.12 3h1c s VAL 427 Ca 0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 3h1c s VAL 427 Cb -0.14 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3h1c s VAL 427 CO -0.03 0.40 -0.13 -0.69 0.00 0.00 0.00 175.10 174.65 3h1c s VAL 428 N 1.48 2.86 -0.17 2.92 1.01 -0.25 -0.71 120.40 127.54 3h1c s VAL 428 Ca 0.06 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 3h1c s VAL 428 Cb -0.14 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3h1c s VAL 428 CO -0.03 0.51 -0.02 -0.55 0.00 0.00 0.00 175.10 175.01 3h1c s SER 429 N 0.74 4.90 -0.32 3.32 0.15 -0.14 -0.42 113.70 121.93 3h1c s SER 429 Ca -0.06 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 3h1c s SER 429 Cb -0.15 -1.81 0.06 0.00 -1.71 0.00 0.00 66.02 62.40 3h1c s SER 429 CO 0.01 0.14 0.04 -1.61 1.20 0.00 0.00 173.24 173.02 3h1c s GLU 430 N 0.52 2.38 0.02 5.44 0.41 0.32 -2.34 118.70 125.45 3h1c s GLU 430 Ca -0.02 -1.34 -0.30 0.00 -0.41 0.00 0.00 54.97 52.90 3h1c s GLU 430 Cb -0.14 -3.26 -0.05 0.00 -1.78 0.00 0.00 34.13 28.90 3h1c s GLU 430 CO 0.02 -0.69 1.23 0.42 -0.49 0.00 0.00 175.26 175.75 3h1c s ILE 431 N 1.25 4.04 -0.09 -1.63 -1.09 -1.04 -0.12 121.20 122.52 3h1c s ILE 431 Ca -0.03 1.44 0.02 0.00 -2.23 0.00 0.00 60.65 59.85 3h1c s ILE 431 Cb -0.20 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.69 3h1c s ILE 431 CO -0.01 0.07 -0.05 0.41 -1.23 0.00 0.00 174.94 174.12 3h1c n THR 432 N 4.19 0.54 -4.24 2.92 -1.04 -1.10 -4.50 114.28 111.05 3h1c n THR 432 Ca 0.10 -0.24 -0.17 0.00 -2.04 0.00 0.00 64.05 61.70 3h1c n THR 432 Cb 0.46 -0.83 -0.13 0.00 -1.82 0.00 0.00 70.33 68.01 3h1c n THR 432 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3h1c s GLU 433 N -2.19 0.69 -0.12 -2.82 2.02 -1.24 -4.02 118.70 111.03 3h1c s GLU 433 Ca -0.10 -0.57 -0.04 0.00 0.02 0.00 0.00 54.97 54.28 3h1c s GLU 433 Cb 0.03 -0.63 0.05 0.00 0.10 0.00 0.00 34.13 33.68 3h1c s GLU 433 CO 0.24 0.15 0.11 0.45 0.02 0.00 0.00 175.26 176.24 3h1c s SER 434 N -0.90 1.59 -0.46 -0.19 0.15 -1.26 -2.69 113.70 109.93 3h1c s SER 434 Ca -0.01 -0.19 0.06 0.00 0.70 0.00 0.00 55.95 56.51 3h1c s SER 434 Cb -0.07 -0.05 0.29 0.00 -1.71 0.00 0.00 66.02 64.49 3h1c s SER 434 CO 0.00 -0.30 1.01 -3.20 1.20 0.00 0.00 173.24 171.95 3h1c n ASN 435 N 5.30 -2.31 0.00 5.45 5.15 -1.26 -4.42 115.26 123.16 3h1c n ASN 435 Ca -0.05 -3.51 0.00 0.00 -0.60 0.00 0.00 54.58 50.42 3h1c n ASN 435 Cb 0.50 1.71 0.00 0.00 -0.53 0.00 0.00 39.78 41.45 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 0.82 0.56 3.63 8.20 0.00 -1.26 -3.29 105.19 113.85 3h1c n GLY 436 Ca 0.08 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.00 6.77 -0.05 1.61 0.15 -1.25 -4.81 113.70 112.12 3h1c s SER 437 Ca 0.00 1.19 0.12 0.00 0.70 0.00 0.00 55.95 57.96 3h1c s SER 437 Cb 0.00 -2.54 -0.18 0.00 -1.71 0.00 0.00 66.02 61.59 3h1c s SER 437 CO 0.00 -1.00 0.20 -0.24 1.20 0.00 0.00 173.24 173.40 3h1c n SER 438 N 7.31 2.12 -0.02 5.45 2.88 -1.26 -4.11 113.62 125.99 3h1c n SER 438 Ca 0.14 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.52 3h1c n SER 438 Cb 0.47 1.31 -0.10 0.00 -0.75 0.00 0.00 64.21 65.14 3h1c n SER 438 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3h1c h SER 439 N 0.00 0.53 1.60 -3.46 0.02 -1.92 -3.23 113.55 107.09 3h1c h SER 439 Ca -0.11 -0.69 -0.02 0.00 -0.84 0.00 0.00 61.79 60.14 3h1c h SER 439 Cb 0.96 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3h1c h SER 439 CO 0.01 1.14 -0.08 0.24 -1.14 0.00 0.00 176.83 176.99 3h1c h MET 440 N -0.04 0.00 0.00 3.45 2.86 -1.89 -2.76 114.93 116.55 3h1c h MET 440 Ca -0.05 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 3h1c h MET 440 Cb 1.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 3h1c h MET 440 CO 0.10 0.08 -0.39 0.00 1.06 0.00 0.00 176.91 177.76 3h1c h ALA 441 N 1.92 1.24 -0.00 6.32 0.00 -1.71 -2.62 119.26 124.40 3h1c h ALA 441 Ca -0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 3h1c h ALA 441 Cb 0.91 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3h1c h ALA 441 CO 0.01 0.49 -0.85 0.77 0.00 0.00 0.00 179.25 179.67 3h1c h SER 442 N 0.00 0.24 -0.47 0.00 0.02 -1.51 -2.88 113.55 108.95 3h1c h SER 442 Ca -0.00 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 3h1c h SER 442 Cb 0.75 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3h1c h SER 442 CO 0.05 0.98 0.02 0.58 -1.14 0.00 0.00 176.83 177.32 3h1c h VAL 443 N 0.11 1.26 -0.61 2.27 2.07 -1.37 0.73 116.25 120.70 3h1c h VAL 443 Ca -0.04 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 3h1c h VAL 443 Cb 1.47 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3h1c h VAL 443 CO 0.13 0.35 0.10 0.00 0.02 0.00 0.00 177.57 178.18 3h1c h GLY 445 N 0.92 0.00 1.07 0.00 0.00 -1.35 -3.17 103.07 100.53 3h1c h GLY 445 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.43 3h1c h GLY 445 CO 0.01 0.00 0.04 0.00 0.00 0.00 0.00 176.54 176.59 3h1c h ALA 446 N 1.52 0.83 -0.11 3.60 0.00 -0.73 -0.99 119.26 123.38 3h1c h ALA 446 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3h1c h ALA 446 Cb 1.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3h1c h ALA 446 CO 0.06 0.64 -0.47 1.03 0.00 0.00 0.00 179.25 180.51 3h1c h SER 447 N 0.97 0.29 0.60 0.00 0.87 -1.56 -1.82 113.55 112.89 3h1c h SER 447 Ca 0.18 -0.13 -0.18 0.00 -1.23 0.00 0.00 61.79 60.43 3h1c h SER 447 Cb 0.51 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3h1c h SER 447 CO 0.02 0.72 -0.81 -0.07 -0.53 0.00 0.00 176.83 176.16 3h1c h LEU 448 N 0.22 0.19 -0.16 2.23 3.38 -1.49 -2.90 115.31 116.78 3h1c h LEU 448 Ca 0.01 -0.15 -0.23 0.00 0.09 0.00 0.00 57.88 57.61 3h1c h LEU 448 Cb 0.91 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3h1c h LEU 448 CO 0.07 0.92 -0.95 0.00 0.09 0.00 0.00 178.44 178.57 3h1c h ALA 449 N 1.07 0.35 -0.08 1.53 0.00 -1.07 -2.94 119.26 118.12 3h1c h ALA 449 Ca -0.03 -0.71 -0.13 0.00 0.00 0.00 0.00 54.91 54.04 3h1c h ALA 449 Cb 1.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3h1c h ALA 449 CO 0.12 0.82 -0.53 -0.07 0.00 0.00 0.00 179.25 179.59 3h1c h LEU 450 N 0.23 0.24 -0.85 0.00 3.38 -1.38 -1.70 115.31 115.22 3h1c h LEU 450 Ca -0.08 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 3h1c h LEU 450 Cb 1.59 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 3h1c h LEU 450 CO 0.17 0.72 -0.55 0.24 0.09 0.00 0.00 178.44 179.11 3h1c h MET 451 N 0.17 0.07 -0.02 1.13 2.86 -1.56 -1.76 114.93 115.82 3h1c h MET 451 Ca 0.00 -0.05 -0.19 0.00 -2.06 0.00 0.00 59.70 57.41 3h1c h MET 451 Cb 0.99 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 3h1c h MET 451 CO 0.08 0.60 -0.82 0.22 1.06 0.00 0.00 176.91 178.06 3h1c h ASP 452 N 0.06 0.31 0.54 1.22 3.58 -1.31 -3.25 116.42 117.57 3h1c h ASP 452 Ca -0.00 -0.23 -0.13 0.00 0.42 0.00 0.00 57.03 57.08 3h1c h ASP 452 Cb 0.98 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 3h1c h ASP 452 CO 0.08 1.00 -0.61 0.00 -2.88 0.00 0.00 179.24 176.82 3h1c h ALA 453 N 0.99 0.94 0.00 -0.78 0.00 -1.21 -3.43 119.26 115.76 3h1c h ALA 453 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3h1c h ALA 453 Cb 1.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3h1c h ALA 453 CO 0.13 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.55 3h1c n GLY 454 N 0.25 1.26 3.64 0.00 0.00 -1.00 -4.89 105.19 104.46 3h1c n GLY 454 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 4.78 -1.16 1.61 1.01 -0.70 -4.97 120.40 118.98 3h1c s VAL 455 Ca 0.00 1.64 -0.21 0.00 0.00 0.00 0.00 61.98 63.41 3h1c s VAL 455 Cb 0.00 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 3h1c s VAL 455 CO 0.00 -0.13 1.91 -0.81 0.00 0.00 0.00 175.10 176.06 3h1c n PRO 456 N 6.14 2.01 -1.74 2.72 -0.04 -1.26 -4.60 135.00 138.23 3h1c n PRO 456 Ca 0.07 -2.55 -0.31 0.00 -0.04 0.00 0.00 63.50 60.67 3h1c n PRO 456 Cb 0.47 -3.52 0.05 0.00 -0.04 0.00 0.00 33.50 30.46 3h1c n PRO 456 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3h1c s ILE 457 N 8.06 3.85 0.01 0.52 -5.25 -1.26 -4.53 121.20 122.59 3h1c s ILE 457 Ca 0.62 0.60 -0.16 0.00 -0.99 0.00 0.00 60.65 60.72 3h1c s ILE 457 Cb 0.04 -3.48 -0.09 0.00 2.95 0.00 0.00 42.46 41.88 3h1c s ILE 457 CO 0.11 -0.78 0.92 0.11 -1.79 0.00 0.00 174.94 173.50 3h1c h LYS 458 N -0.67 -0.56 -3.29 0.37 1.57 -1.90 -3.48 116.57 108.61 3h1c h LYS 458 Ca -0.45 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.28 3h1c h LYS 458 Cb 1.23 0.13 -0.16 0.00 0.08 0.00 0.00 32.23 33.50 3h1c h LYS 458 CO 0.61 -0.37 -0.21 0.00 -0.57 0.00 0.00 179.45 178.91 3h1c s ALA 459 N -4.17 -0.74 0.44 3.86 0.00 -1.26 -5.15 121.76 114.73 3h1c s ALA 459 Ca -0.08 0.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.64 3h1c s ALA 459 Cb 0.01 0.37 -0.09 0.00 0.00 0.00 0.00 23.12 23.41 3h1c s ALA 459 CO 0.25 -0.45 1.35 0.00 0.00 0.00 0.00 175.76 176.92 3h1c n ALA 460 N 0.44 1.67 -3.54 0.00 0.00 -1.26 -4.97 120.51 112.85 3h1c n ALA 460 Ca -0.18 0.25 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 3h1c n ALA 460 Cb 0.60 -2.33 -0.16 0.00 0.00 0.00 0.00 19.45 17.55 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 -1.20 0.84 0.30 0.00 0.11 -1.26 -4.27 120.40 114.91 3h1c s VAL 461 Ca 0.62 -0.30 0.05 0.00 -2.93 0.00 0.00 61.98 59.42 3h1c s VAL 461 Cb -0.47 -0.80 -0.06 0.00 -1.53 0.00 0.00 36.38 33.52 3h1c s VAL 461 CO 0.57 0.29 -0.01 0.00 -3.33 0.00 0.00 175.10 172.62 3h1c s ALA 462 N 0.78 2.36 0.00 1.54 0.00 -0.84 -4.15 121.76 121.45 3h1c s ALA 462 Ca -0.13 -1.97 -0.03 0.00 0.00 0.00 0.00 51.96 49.83 3h1c s ALA 462 Cb -0.15 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3h1c s ALA 462 CO 0.02 -0.16 0.06 0.20 0.00 0.00 0.00 175.76 175.87 3h1c s GLY 463 N -3.46 0.09 0.14 0.00 0.00 -1.26 -1.76 107.32 101.08 3h1c s GLY 463 Ca 0.32 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.85 3h1c s GLY 463 CO 0.13 -0.29 -0.03 -0.42 0.00 0.00 0.00 173.10 172.49 3h1c s ILE 464 N -1.02 0.71 -0.04 0.90 -1.09 -0.19 -4.68 121.20 115.79 3h1c s ILE 464 Ca -0.11 -1.97 0.05 0.00 -2.23 0.00 0.00 60.65 56.39 3h1c s ILE 464 Cb -0.07 -1.95 -0.01 0.00 -1.58 0.00 0.00 42.46 38.86 3h1c s ILE 464 CO 0.00 -0.63 -0.20 0.00 -1.23 0.00 0.00 174.94 172.88 3h1c s ALA 465 N -3.63 1.71 0.02 9.38 0.00 -1.26 -1.19 121.76 126.79 3h1c s ALA 465 Ca 0.19 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.39 3h1c s ALA 465 Cb 0.06 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3h1c s ALA 465 CO 0.01 0.36 -0.19 -1.64 0.00 0.00 0.00 175.76 174.29 3h1c s MET 466 N -0.19 2.12 0.41 0.00 1.00 0.15 -1.72 119.30 121.07 3h1c s MET 466 Ca 0.01 -0.94 0.07 0.00 0.00 0.00 0.00 55.69 54.83 3h1c s MET 466 Cb -0.11 -2.19 -0.05 0.00 0.00 0.00 0.00 34.83 32.48 3h1c s MET 466 CO 0.01 0.55 0.18 0.20 0.00 0.00 0.00 175.02 175.97 3h1c s GLY 467 N -1.24 2.34 -0.13 -0.03 0.00 -0.95 -0.32 107.32 107.00 3h1c s GLY 467 Ca 0.13 -2.11 -0.10 0.00 0.00 0.00 0.00 44.72 42.64 3h1c s GLY 467 CO 0.04 -1.91 0.33 -2.27 0.00 0.00 0.00 173.10 169.28 3h1c s LEU 468 N -3.90 0.57 -0.19 0.66 2.96 -1.24 -1.09 118.68 116.45 3h1c s LEU 468 Ca 0.41 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 55.01 3h1c s LEU 468 Cb 0.04 1.11 0.03 0.00 0.50 0.00 0.00 46.19 47.87 3h1c s LEU 468 CO 0.23 -0.13 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.28 3h1c s VAL 469 N 0.50 1.90 -0.03 1.68 1.01 -1.10 -2.38 120.40 121.98 3h1c s VAL 469 Ca -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3h1c s VAL 469 Cb -0.04 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3h1c s VAL 469 CO -0.03 0.33 -0.09 -0.75 0.00 0.00 0.00 175.10 174.56 3h1c s LYS 470 N 1.31 1.05 -0.24 2.72 2.20 -1.26 -2.39 119.74 123.13 3h1c s LYS 470 Ca 0.01 -0.30 -0.04 0.00 -0.36 0.00 0.00 55.97 55.28 3h1c s LYS 470 Cb -0.15 -0.97 0.09 0.00 -1.51 0.00 0.00 37.83 35.29 3h1c s LYS 470 CO -0.10 0.08 0.14 -2.00 -0.36 0.00 0.00 175.35 173.11 3h1c s GLU 471 N 0.34 0.16 2.60 4.03 2.56 -0.94 -5.02 118.70 122.43 3h1c s GLU 471 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.97 54.66 3h1c s GLU 471 Cb -0.10 -1.35 0.00 0.00 2.00 0.00 0.00 34.13 34.67 3h1c s GLU 471 CO 0.01 -0.86 0.00 0.41 -0.56 0.00 0.00 175.26 174.26 3h1c n GLY 472 N 5.27 2.19 0.00 -1.50 0.00 -1.26 -2.98 105.19 106.91 3h1c n GLY 472 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 6.27 0.09 -4.71 1.61 5.75 -1.26 -5.06 116.55 119.24 3h1c n ASP 473 Ca 0.00 -0.45 -0.41 0.00 -0.01 0.00 0.00 54.79 53.91 3h1c n ASP 473 Cb 0.00 0.15 -0.04 0.00 -1.03 0.00 0.00 41.12 40.20 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 -0.15 7.23 0.00 -1.12 0.02 -1.16 -5.05 114.94 114.72 3h1c s ASN 474 Ca 0.00 1.49 -0.02 0.00 -1.02 0.00 0.00 52.86 53.32 3h1c s ASN 474 Cb 0.00 -2.52 -0.01 0.00 0.02 0.00 0.00 41.25 38.75 3h1c s ASN 474 CO 0.00 -0.23 0.02 -0.72 0.02 0.00 0.00 177.10 176.20 3h1c s TYR 475 N 1.03 0.11 -0.09 2.20 1.13 -1.26 -2.21 117.35 118.26 3h1c s TYR 475 Ca 0.47 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.90 3h1c s TYR 475 Cb -0.20 -0.09 0.02 0.00 -1.10 0.00 0.00 41.96 40.59 3h1c s TYR 475 CO 0.24 -0.15 -0.09 0.08 -2.51 0.00 0.00 175.55 173.13 3h1c s VAL 476 N -0.92 1.03 -0.12 -3.49 1.01 -1.01 -5.01 120.40 111.89 3h1c s VAL 476 Ca -0.10 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 3h1c s VAL 476 Cb -0.06 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3h1c s VAL 476 CO -0.00 0.36 0.53 -0.69 0.00 0.00 0.00 175.10 175.30 3h1c s VAL 477 N 1.35 5.14 0.05 2.92 1.01 -1.26 -2.70 120.40 126.91 3h1c s VAL 477 Ca -0.02 1.06 0.01 0.00 0.00 0.00 0.00 61.98 63.03 3h1c s VAL 477 Cb -0.14 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3h1c s VAL 477 CO -0.04 0.28 0.13 -0.76 0.00 0.00 0.00 175.10 174.71 3h1c s LEU 478 N 0.86 4.06 -0.10 3.92 1.02 -0.25 -4.68 118.68 123.51 3h1c s LEU 478 Ca 0.28 0.15 0.03 0.00 0.02 0.00 0.00 54.13 54.61 3h1c s LEU 478 Cb -0.16 -2.62 -0.00 0.00 0.02 0.00 0.00 46.19 43.43 3h1c s LEU 478 CO 0.12 0.20 -0.22 -0.44 0.02 0.00 0.00 176.35 176.03 3h1c s SER 479 N -2.28 3.28 -0.62 2.29 0.01 -1.18 -2.23 113.70 112.98 3h1c s SER 479 Ca 0.30 -0.51 -0.11 0.00 1.31 0.00 0.00 55.95 56.94 3h1c s SER 479 Cb -0.12 -1.43 0.02 0.00 0.21 0.00 0.00 66.02 64.69 3h1c s SER 479 CO 0.22 0.17 0.65 -0.67 0.41 0.00 0.00 173.24 174.01 3h1c n ASP 480 N 3.49 -6.85 -4.80 2.44 2.03 -0.70 -4.65 116.55 107.52 3h1c n ASP 480 Ca -0.19 -0.10 -0.33 0.00 0.52 0.00 0.00 54.79 54.69 3h1c n ASP 480 Cb 0.53 -3.97 -0.01 0.00 -0.72 0.00 0.00 41.12 36.95 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 -2.63 3.77 0.71 5.18 -4.36 -1.22 -4.81 121.20 117.85 3h1c s ILE 481 Ca 0.14 0.96 -0.09 0.00 -0.26 0.00 0.00 60.65 61.40 3h1c s ILE 481 Cb -0.03 -3.41 0.16 0.00 1.25 0.00 0.00 42.46 40.43 3h1c s ILE 481 CO 0.81 -0.38 0.97 0.18 0.24 0.00 0.00 174.94 176.76 3h1c n LEU 482 N -1.55 0.00 -0.14 0.37 4.32 -1.26 -3.92 117.00 114.81 3h1c n LEU 482 Ca 0.09 -1.35 -0.09 0.00 -0.02 0.00 0.00 56.01 54.64 3h1c n LEU 482 Cb 0.53 -0.71 0.05 0.00 -1.62 0.00 0.00 43.42 41.66 3h1c n LEU 482 CO 0.44 -1.13 0.72 1.23 -1.22 0.00 0.00 177.39 177.43 3h1c h GLY 483 N -1.08 1.00 2.00 -0.72 0.00 -1.86 -2.63 103.07 99.78 3h1c h GLY 483 Ca -0.32 -0.83 -0.09 0.00 0.00 0.00 0.00 47.33 46.09 3h1c h GLY 483 CO 0.26 0.76 -0.41 -0.55 0.00 0.00 0.00 176.54 176.60 3h1c h ASP 484 N 0.81 0.00 0.58 0.19 3.32 -1.95 -1.93 116.42 117.44 3h1c h ASP 484 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h1c h ASP 484 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3h1c h ASP 484 CO 0.05 0.41 -0.23 -0.62 -1.72 0.00 0.00 179.24 177.14 3h1c n GLU 485 N -3.65 0.26 -0.12 3.56 1.02 -1.16 -2.63 120.64 117.93 3h1c n GLU 485 Ca -0.01 -0.10 -0.18 0.00 -0.02 0.00 0.00 57.16 56.85 3h1c n GLU 485 Cb 0.51 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.30 3h1c n GLU 485 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3h1c n ASP 486 N -1.28 1.91 0.01 1.62 2.03 -1.00 -3.11 116.55 116.73 3h1c n ASP 486 Ca 0.09 -0.10 -0.15 0.00 0.52 0.00 0.00 54.79 55.15 3h1c n ASP 486 Cb 0.32 -0.39 -0.04 0.00 -0.72 0.00 0.00 41.12 40.29 3h1c n ASP 486 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 3h1c h HIS 487 N 0.01 0.88 -0.02 -0.67 3.86 -1.47 -3.22 115.15 114.51 3h1c h HIS 487 Ca -0.56 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.25 3h1c h HIS 487 Cb 1.93 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 30.26 3h1c h HIS 487 CO 0.03 1.21 -0.22 1.28 0.86 0.00 0.00 177.93 181.09 3h1c n LEU 488 N -3.89 2.07 -4.89 2.43 4.77 -1.08 -4.97 117.00 111.44 3h1c n LEU 488 Ca -0.07 -0.71 -0.30 0.00 -0.03 0.00 0.00 56.01 54.91 3h1c n LEU 488 Cb 0.75 -0.02 0.21 0.00 -2.33 0.00 0.00 43.42 42.02 3h1c n LEU 488 CO 0.52 0.36 0.86 -0.83 -1.33 0.00 0.00 177.39 176.97 3h1c s GLY 489 N -2.26 1.79 -0.11 -0.72 0.00 -1.18 -4.95 107.32 99.89 3h1c s GLY 489 Ca 0.25 -1.26 0.10 0.00 0.00 0.00 0.00 44.72 43.81 3h1c s GLY 489 CO 0.44 -0.43 0.06 1.22 0.00 0.00 0.00 173.10 174.39 3h1c n ASP 490 N -3.97 2.15 -3.82 1.64 9.92 -1.00 -4.97 116.55 116.50 3h1c n ASP 490 Ca 0.16 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.29 3h1c n ASP 490 Cb 0.59 0.85 -0.14 0.00 -0.64 0.00 0.00 41.12 41.79 3h1c n ASP 490 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 3h1c s MET 491 N -2.33 0.10 -0.40 -1.24 1.75 -1.25 -1.51 119.30 114.41 3h1c s MET 491 Ca -0.06 0.18 -0.05 0.00 -1.25 0.00 0.00 55.69 54.52 3h1c s MET 491 Cb 0.04 -0.01 0.10 0.00 2.84 0.00 0.00 34.83 37.79 3h1c s MET 491 CO 0.48 -0.05 0.21 0.34 -0.65 0.00 0.00 175.02 175.34 3h1c s ASP 492 N 0.34 5.34 -0.60 1.11 2.15 -0.62 -3.67 116.67 120.72 3h1c s ASP 492 Ca -0.02 -1.83 -0.10 0.00 0.43 0.00 0.00 52.55 51.03 3h1c s ASP 492 Cb -0.04 -1.87 0.15 0.00 -0.30 0.00 0.00 42.92 40.87 3h1c s ASP 492 CO -0.01 -0.53 0.49 0.12 -0.17 0.00 0.00 175.17 175.07 3h1c s PHE 493 N 1.23 3.48 -0.19 -5.34 5.36 0.57 -0.92 117.98 122.18 3h1c s PHE 493 Ca 0.05 -1.99 -0.17 0.00 -0.96 0.00 0.00 56.93 53.87 3h1c s PHE 493 Cb -0.23 -3.56 -0.04 0.00 -0.34 0.00 0.00 43.02 38.85 3h1c s PHE 493 CO -0.02 -0.97 0.44 0.15 -1.46 0.00 0.00 175.22 173.36 3h1c s LYS 494 N 0.83 4.20 -0.05 10.12 1.02 0.12 0.29 119.74 136.27 3h1c s LYS 494 Ca 0.10 0.29 0.04 0.00 0.02 0.00 0.00 55.97 56.42 3h1c s LYS 494 Cb -0.22 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 3h1c s LYS 494 CO -0.03 -0.03 -0.16 0.08 -0.92 0.00 0.00 175.35 174.29 3h1c s VAL 495 N 1.28 1.34 -0.03 3.17 1.01 -0.33 -0.40 120.40 126.43 3h1c s VAL 495 Ca 0.21 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3h1c s VAL 495 Cb -0.15 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3h1c s VAL 495 CO 0.09 0.39 -0.01 0.00 0.00 0.00 0.00 175.10 175.57 3h1c s ALA 496 N 0.23 0.37 -0.09 5.51 0.00 0.87 -1.03 121.76 127.63 3h1c s ALA 496 Ca -0.07 0.09 -0.31 0.00 0.00 0.00 0.00 51.96 51.66 3h1c s ALA 496 Cb -0.13 -0.30 0.11 0.00 0.00 0.00 0.00 23.12 22.80 3h1c s ALA 496 CO 0.03 -0.03 1.38 0.20 0.00 0.00 0.00 175.76 177.33 3h1c s GLY 497 N 0.83 -0.25 0.00 0.00 0.00 -0.72 -0.07 107.32 107.11 3h1c s GLY 497 Ca -0.09 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3h1c s GLY 497 CO -0.01 6.05 0.00 -1.14 0.00 0.00 0.00 173.10 178.00 3h1c n SER 498 N -0.94 0.00 0.08 1.64 3.41 -0.14 -1.98 113.62 115.70 3h1c n SER 498 Ca 0.04 -0.59 -0.05 0.00 -0.26 0.00 0.00 58.87 58.02 3h1c n SER 498 Cb 0.59 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.66 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 0.25 -0.83 4.33 2.43 -1.96 -3.32 114.38 115.28 3h1c h ARG 499 Ca 0.00 -0.17 -0.54 0.00 -0.81 0.00 0.00 59.98 58.46 3h1c h ARG 499 Cb 0.00 0.02 -0.43 0.00 -0.42 0.00 0.00 29.97 29.15 3h1c h ARG 499 CO 0.00 0.77 -0.82 -0.40 -1.51 0.00 0.00 179.97 178.01 3h1c n ASP 500 N -3.89 4.79 0.00 -3.80 5.75 -1.26 -5.04 116.55 113.10 3h1c n ASP 500 Ca -0.02 -3.69 0.00 0.00 -0.01 0.00 0.00 54.79 51.07 3h1c n ASP 500 Cb 0.61 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 3h1c n ASP 500 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1c n GLY 501 N -0.68 1.78 3.29 6.12 0.00 -1.25 -4.78 105.19 109.67 3h1c n GLY 501 Ca 0.42 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 2.96 -0.11 -0.61 1.01 0.28 -0.96 121.20 121.77 3h1c s ILE 502 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 3h1c s ILE 502 Cb 0.00 -2.29 -0.27 0.00 0.01 0.00 0.00 42.46 39.91 3h1c s ILE 502 CO 0.00 0.49 0.48 0.77 0.00 0.00 0.00 174.94 176.67 3h1c h SER 503 N 7.51 0.43 -4.45 3.58 4.64 -0.65 -2.84 113.55 121.77 3h1c h SER 503 Ca -0.36 -0.89 -0.16 0.00 -0.47 0.00 0.00 61.79 59.92 3h1c h SER 503 Cb 1.18 -0.14 -0.23 0.00 -0.31 0.00 0.00 62.40 62.90 3h1c h SER 503 CO 0.59 1.76 -0.47 0.00 -0.87 0.00 0.00 176.83 177.84 3h1c s ALA 504 N -2.53 -0.45 -0.02 5.18 0.00 0.51 -0.52 121.76 123.94 3h1c s ALA 504 Ca -0.21 0.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 3h1c s ALA 504 Cb 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3h1c s ALA 504 CO 0.78 -0.16 0.02 -1.17 0.00 0.00 0.00 175.76 175.23 3h1c s LEU 505 N -0.71 1.29 -0.03 0.00 2.96 -1.22 -0.09 118.68 120.88 3h1c s LEU 505 Ca -0.08 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3h1c s LEU 505 Cb -0.05 -0.05 0.02 0.00 0.50 0.00 0.00 46.19 46.61 3h1c s LEU 505 CO 0.01 -0.10 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.34 3h1c s GLN 506 N 0.83 0.46 -0.16 1.98 0.74 0.46 -2.10 119.66 121.88 3h1c s GLN 506 Ca -0.07 -0.05 0.01 0.00 0.05 0.00 0.00 55.36 55.31 3h1c s GLN 506 Cb -0.10 -0.54 0.02 0.00 1.10 0.00 0.00 33.01 33.49 3h1c s GLN 506 CO -0.02 -0.05 -0.18 -1.64 -0.55 0.00 0.00 175.29 172.85 3h1c s MET 507 N 0.64 2.70 -0.60 1.67 -1.94 -0.82 0.11 119.30 121.05 3h1c s MET 507 Ca -0.07 -0.72 0.03 0.00 -1.71 0.00 0.00 55.69 53.22 3h1c s MET 507 Cb -0.10 -2.33 0.15 0.00 2.01 0.00 0.00 34.83 34.55 3h1c s MET 507 CO -0.01 -0.17 0.37 -0.51 -0.01 0.00 0.00 175.02 174.70 3h1c s ASP 508 N 1.23 4.65 -0.12 3.03 1.01 -0.09 -1.94 116.67 124.44 3h1c s ASP 508 Ca 0.02 -3.28 -0.17 0.00 0.71 0.00 0.00 52.55 49.83 3h1c s ASP 508 Cb -0.14 -1.68 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 3h1c s ASP 508 CO -0.09 -0.20 0.43 -0.63 0.21 0.00 0.00 175.17 174.89 3h1c s ILE 509 N -0.66 5.21 -0.11 0.77 1.01 -0.61 -1.59 121.20 125.22 3h1c s ILE 509 Ca 0.20 0.85 0.20 0.00 0.00 0.00 0.00 60.65 61.90 3h1c s ILE 509 Cb -0.18 -3.77 -0.29 0.00 0.01 0.00 0.00 42.46 38.23 3h1c s ILE 509 CO -0.06 0.35 0.34 0.29 0.00 0.00 0.00 174.94 175.86 3h1c n LYS 510 N 3.55 0.67 -2.83 2.79 5.02 -0.57 -4.83 118.16 121.96 3h1c n LYS 510 Ca -0.09 -0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 55.87 3h1c n LYS 510 Cb 0.52 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 34.00 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 -3.05 4.08 -0.91 -0.18 -4.36 -1.23 -4.78 121.20 110.77 3h1c s ILE 511 Ca -0.08 -0.30 0.17 0.00 -0.26 0.00 0.00 60.65 60.18 3h1c s ILE 511 Cb 0.10 -3.54 0.74 0.00 1.25 0.00 0.00 42.46 41.02 3h1c s ILE 511 CO 0.87 -0.44 1.65 -0.62 0.24 0.00 0.00 174.94 176.64 3h1c n GLU 512 N -2.20 4.02 -3.89 0.37 1.02 -1.26 -4.81 120.64 113.88 3h1c n GLU 512 Ca 0.02 -2.90 -0.30 0.00 -0.02 0.00 0.00 57.16 53.96 3h1c n GLU 512 Cb 0.57 -2.00 -0.15 0.00 -0.02 0.00 0.00 31.44 29.85 3h1c n GLU 512 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3h1c s GLY 513 N -0.85 1.51 -0.07 0.62 0.00 -1.26 -4.62 107.32 102.66 3h1c s GLY 513 Ca 0.51 -2.04 0.01 0.00 0.00 0.00 0.00 44.72 43.20 3h1c s GLY 513 CO 0.22 1.22 -0.08 -0.42 0.00 0.00 0.00 173.10 174.04 3h1c s ILE 514 N 1.25 0.87 0.37 0.90 -1.09 -1.26 -5.04 121.20 117.20 3h1c s ILE 514 Ca 0.09 -0.29 0.09 0.00 -2.23 0.00 0.00 60.65 58.30 3h1c s ILE 514 Cb -0.18 -0.85 -0.07 0.00 -1.58 0.00 0.00 42.46 39.77 3h1c s ILE 514 CO -0.15 0.31 -0.05 0.42 -1.23 0.00 0.00 174.94 174.24 3h1c s THR 515 N 1.02 2.17 0.20 2.92 -4.23 -1.26 -4.60 115.64 111.86 3h1c s THR 515 Ca -0.09 -2.12 0.22 0.00 -1.18 0.00 0.00 61.69 58.53 3h1c s THR 515 Cb -0.15 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.12 3h1c s THR 515 CO -0.00 -0.13 1.84 0.50 -0.54 0.00 0.00 174.62 176.29 3h1c h LYS 516 N 1.91 0.00 -0.07 3.99 3.64 -2.00 -3.12 116.57 120.92 3h1c h LYS 516 Ca -0.43 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 3h1c h LYS 516 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3h1c h LYS 516 CO 0.74 0.26 -0.14 0.93 -2.27 0.00 0.00 179.45 178.97 3h1c h GLU 517 N 0.00 0.22 0.00 1.90 3.07 -1.99 -2.88 114.58 114.89 3h1c h GLU 517 Ca -0.00 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 58.65 3h1c h GLU 517 Cb 0.72 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 3h1c h GLU 517 CO 0.03 0.73 -0.30 -0.84 -1.40 0.00 0.00 179.01 177.23 3h1c h ILE 518 N -0.26 0.75 0.00 3.13 3.07 -1.98 -2.19 117.51 120.02 3h1c h ILE 518 Ca 0.00 -1.31 -0.18 0.00 1.55 0.00 0.00 64.86 64.92 3h1c h ILE 518 Cb 0.72 1.83 -0.03 0.00 -0.27 0.00 0.00 36.82 39.08 3h1c h ILE 518 CO 0.03 0.30 -0.85 0.24 -1.05 0.00 0.00 178.15 176.82 3h1c h MET 519 N 0.00 0.00 -0.09 0.16 2.86 -1.62 -2.89 114.93 113.34 3h1c h MET 519 Ca -0.00 -0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 3h1c h MET 519 Cb 0.81 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.48 3h1c h MET 519 CO 0.04 0.85 -0.60 0.37 1.06 0.00 0.00 176.91 178.62 3h1c h GLN 520 N 0.00 0.57 -0.46 1.72 4.15 -1.23 -2.55 115.11 117.33 3h1c h GLN 520 Ca -0.01 -0.49 -0.11 0.00 0.77 0.00 0.00 58.65 58.80 3h1c h GLN 520 Cb 1.50 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 29.28 3h1c h GLN 520 CO 0.11 1.12 -0.17 0.28 -1.93 0.00 0.00 178.83 178.24 3h1c h VAL 521 N 0.19 1.27 -0.31 2.39 2.07 -1.51 -1.22 116.25 119.13 3h1c h VAL 521 Ca -0.05 -1.30 -0.10 0.00 0.82 0.00 0.00 66.70 66.07 3h1c h VAL 521 Cb 1.25 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3h1c h VAL 521 CO 0.12 0.44 -0.23 0.00 0.02 0.00 0.00 177.57 177.93 3h1c h ALA 522 N 1.02 1.02 0.20 1.67 0.00 -1.56 -1.91 119.26 119.71 3h1c h ALA 522 Ca 0.11 -0.35 -0.31 0.00 0.00 0.00 0.00 54.91 54.36 3h1c h ALA 522 Cb 0.70 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.38 3h1c h ALA 522 CO 0.05 0.58 -1.40 1.25 0.00 0.00 0.00 179.25 179.74 3h1c h LEU 523 N 0.53 0.66 -0.56 0.00 5.85 -1.36 -2.91 115.31 117.53 3h1c h LEU 523 Ca 0.08 -0.72 -0.16 0.00 0.84 0.00 0.00 57.88 57.92 3h1c h LEU 523 Cb 0.68 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3h1c h LEU 523 CO 0.05 1.57 -0.67 -1.13 -0.34 0.00 0.00 178.44 177.91 3h1c h ASN 524 N 0.12 0.27 0.92 1.25 -1.24 -1.23 -2.61 115.58 113.05 3h1c h ASN 524 Ca -0.21 -0.17 -0.13 0.00 0.71 0.00 0.00 56.30 56.50 3h1c h ASN 524 Cb 2.09 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 41.04 3h1c h ASN 524 CO 0.24 0.86 -0.61 -0.61 -1.29 0.00 0.00 177.43 176.02 3h1c h GLN 525 N 0.16 0.00 0.00 6.67 4.15 -1.46 -3.06 115.11 121.57 3h1c h GLN 525 Ca -0.02 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 3h1c h GLN 525 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 3h1c h GLN 525 CO 0.10 0.61 -0.51 0.00 -1.93 0.00 0.00 178.83 177.10 3h1c h ALA 526 N 1.39 1.10 -0.89 3.38 0.00 -1.37 -2.96 119.26 119.91 3h1c h ALA 526 Ca -0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3h1c h ALA 526 Cb 1.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3h1c h ALA 526 CO 0.08 0.64 0.48 -0.22 0.00 0.00 0.00 179.25 180.23 3h1c h LYS 527 N 0.00 1.24 -0.37 0.00 3.64 -1.36 0.11 116.57 119.83 3h1c h LYS 527 Ca -0.01 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.11 3h1c h LYS 527 Cb 0.94 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3h1c h LYS 527 CO 0.07 0.92 -0.22 0.78 -2.27 0.00 0.00 179.45 178.72 3h1c h GLY 528 N 1.25 0.87 2.00 5.01 0.00 -1.61 -2.74 103.07 107.86 3h1c h GLY 528 Ca 0.31 -0.81 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 3h1c h GLY 528 CO -0.05 0.73 -0.31 0.00 0.00 0.00 0.00 176.54 176.92 3h1c h ALA 529 N 0.79 1.13 -0.04 3.60 0.00 -1.32 -2.78 119.26 120.64 3h1c h ALA 529 Ca 0.08 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3h1c h ALA 529 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3h1c h ALA 529 CO 0.06 0.39 -0.22 -0.09 0.00 0.00 0.00 179.25 179.39 3h1c h ARG 530 N 0.00 0.21 0.00 0.00 2.43 -0.73 -3.23 114.38 113.06 3h1c h ARG 530 Ca -0.00 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3h1c h ARG 530 Cb 0.72 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3h1c h ARG 530 CO 0.04 0.84 -0.27 -0.07 -1.51 0.00 0.00 179.97 179.00 3h1c h LEU 531 N -0.36 0.00 -0.43 3.80 4.07 -1.47 -2.16 115.31 118.77 3h1c h LEU 531 Ca -0.02 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.82 3h1c h LEU 531 Cb 0.89 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 3h1c h LEU 531 CO 0.04 0.27 -0.21 -0.74 -1.08 0.00 0.00 178.44 176.73 3h1c h HIS 532 N 0.00 1.03 -0.36 1.13 -0.00 -1.58 -1.41 115.15 113.97 3h1c h HIS 532 Ca -0.00 -0.26 -0.15 0.00 -0.00 0.00 0.00 60.37 59.96 3h1c h HIS 532 Cb 0.65 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 3h1c h HIS 532 CO 0.00 1.05 -0.38 0.82 -0.00 0.00 0.00 177.93 179.42 3h1c h ILE 533 N 0.72 1.28 -0.45 6.26 2.04 -1.53 -3.12 117.51 122.71 3h1c h ILE 533 Ca 0.09 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.38 3h1c h ILE 533 Cb 0.78 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3h1c h ILE 533 CO 0.06 0.51 0.15 -0.07 0.00 0.00 0.00 178.15 178.81 3h1c h LEU 534 N 0.70 0.59 -1.05 1.44 3.38 -1.30 -1.89 115.31 117.18 3h1c h LEU 534 Ca 0.06 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3h1c h LEU 534 Cb 0.95 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3h1c h LEU 534 CO 0.09 0.56 0.03 1.23 0.09 0.00 0.00 178.44 180.44 3h1c h GLY 535 N 0.82 0.76 1.80 0.83 0.00 -1.20 0.12 103.07 106.20 3h1c h GLY 535 Ca 0.15 -0.47 -0.20 0.00 0.00 0.00 0.00 47.33 46.82 3h1c h GLY 535 CO -0.01 0.44 -0.88 -2.08 0.00 0.00 0.00 176.54 174.01 3h1c h VAL 536 N 0.67 1.51 -0.14 4.60 2.07 -1.48 -2.34 116.25 121.13 3h1c h VAL 536 Ca 0.14 -2.66 -0.12 0.00 0.82 0.00 0.00 66.70 64.88 3h1c h VAL 536 Cb 0.37 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3h1c h VAL 536 CO 0.01 0.77 -0.44 0.24 0.02 0.00 0.00 177.57 178.17 3h1c h MET 537 N 0.09 0.34 0.00 1.57 2.07 -0.97 -2.78 114.93 115.26 3h1c h MET 537 Ca -0.04 -0.18 -0.04 0.00 -2.07 0.00 0.00 59.70 57.37 3h1c h MET 537 Cb 1.51 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.24 3h1c h MET 537 CO 0.13 0.72 -0.19 0.93 1.07 0.00 0.00 176.91 179.57 3h1c h GLU 538 N 0.28 0.00 0.00 1.72 5.08 -0.74 -2.72 114.58 118.20 3h1c h GLU 538 Ca 0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3h1c h GLU 538 Cb 0.89 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3h1c h GLU 538 CO 0.07 0.19 -0.53 0.37 -1.00 0.00 0.00 179.01 178.11 3h1c h GLN 539 N 0.00 0.00 0.00 2.33 4.15 -1.14 -3.35 115.11 117.10 3h1c h GLN 539 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3h1c h GLN 539 Cb 0.93 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.62 3h1c h GLN 539 CO 0.03 0.53 -0.42 0.00 -1.93 0.00 0.00 178.83 177.04 3h1c h ALA 540 N 1.47 0.02 -3.92 3.38 0.00 -1.51 -3.48 119.26 115.21 3h1c h ALA 540 Ca -0.01 -0.43 -0.68 0.00 0.00 0.00 0.00 54.91 53.79 3h1c h ALA 540 Cb 1.02 0.39 -0.26 0.00 0.00 0.00 0.00 17.79 18.94 3h1c h ALA 540 CO 0.07 0.39 -0.81 0.42 0.00 0.00 0.00 179.25 179.32 3h1c s ILE 541 N -2.08 2.74 -0.07 0.00 1.01 -1.03 -5.02 121.20 116.76 3h1c s ILE 541 Ca -0.12 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3h1c s ILE 541 Cb 0.02 -2.07 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 3h1c s ILE 541 CO 0.20 0.57 -0.04 0.59 0.00 0.00 0.00 174.94 176.26 3h1c n ASN 542 N 2.73 3.43 -3.92 3.58 3.02 -1.26 -4.16 115.26 118.69 3h1c n ASN 542 Ca -0.17 -0.03 -0.14 0.00 -0.03 0.00 0.00 54.58 54.20 3h1c n ASN 542 Cb 0.52 0.12 -0.14 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.15 0.26 -2.00 5.41 0.00 -1.26 -5.10 121.76 116.93 3h1c s ALA 543 Ca -0.08 -0.13 0.12 0.00 0.00 0.00 0.00 51.96 51.87 3h1c s ALA 543 Cb 0.02 -0.08 0.72 0.00 0.00 0.00 0.00 23.12 23.78 3h1c s ALA 543 CO 0.20 0.06 1.15 -2.30 0.00 0.00 0.00 175.76 174.87