#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 1.78 -0.06 4.03 0.05 -1.26 -5.13 118.68 118.09 3h1c s LEU 2 Ca 0.00 -0.34 -0.03 0.00 0.05 0.00 0.00 54.13 53.82 3h1c s LEU 2 Cb 0.00 -0.92 0.04 0.00 -2.05 0.00 0.00 46.19 43.26 3h1c s LEU 2 CO 0.00 0.08 0.11 0.20 -0.55 0.00 0.00 176.35 176.19 3h1c s ASN 3 N 0.41 0.96 0.36 1.48 0.01 -1.26 -5.10 114.94 111.81 3h1c s ASN 3 Ca -0.11 0.20 -0.25 0.00 -0.71 0.00 0.00 52.86 51.98 3h1c s ASN 3 Cb -0.14 0.06 -0.09 0.00 0.41 0.00 0.00 41.25 41.48 3h1c s ASN 3 CO 0.04 -0.25 1.00 -2.16 -1.51 0.00 0.00 177.10 174.22 3h1c s PRO 4 N 2.23 4.38 -0.26 -0.60 0.04 -1.26 -4.62 135.00 134.91 3h1c s PRO 4 Ca 0.04 1.43 -0.10 0.00 0.04 0.00 0.00 61.00 62.41 3h1c s PRO 4 Cb -0.12 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 3h1c s PRO 4 CO -0.04 0.07 0.16 0.42 0.04 0.00 0.00 177.00 177.65 3h1c s ILE 5 N -1.63 5.22 0.02 0.56 -1.09 -0.40 -4.99 121.20 118.90 3h1c s ILE 5 Ca 0.54 0.14 0.08 0.00 -2.23 0.00 0.00 60.65 59.18 3h1c s ILE 5 Cb -0.21 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 3h1c s ILE 5 CO 0.26 0.30 -0.24 0.54 -1.23 0.00 0.00 174.94 174.57 3h1c s VAL 6 N 1.44 1.95 -0.07 2.92 0.11 -1.26 -2.08 120.40 123.41 3h1c s VAL 6 Ca 0.07 -1.22 -0.03 0.00 -2.93 0.00 0.00 61.98 57.88 3h1c s VAL 6 Cb -0.15 -1.65 0.04 0.00 -1.53 0.00 0.00 36.38 33.09 3h1c s VAL 6 CO 0.08 0.39 0.14 -0.60 -3.33 0.00 0.00 175.10 171.78 3h1c s ARG 7 N -0.98 0.07 -0.05 1.54 3.52 -0.44 -5.01 118.95 117.61 3h1c s ARG 7 Ca 0.10 0.39 0.06 0.00 -0.13 0.00 0.00 55.73 56.15 3h1c s ARG 7 Cb -0.09 -0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.08 3h1c s ARG 7 CO 0.01 -0.19 -0.23 0.15 -0.81 0.00 0.00 175.30 174.23 3h1c s LYS 8 N 1.36 2.44 -0.06 5.12 1.02 -1.26 -0.90 119.74 127.46 3h1c s LYS 8 Ca -0.07 -0.87 -0.13 0.00 0.02 0.00 0.00 55.97 54.92 3h1c s LYS 8 Cb -0.12 -2.18 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 3h1c s LYS 8 CO -0.06 0.48 0.31 -0.59 -0.92 0.00 0.00 175.35 174.56 3h1c s PHE 9 N -0.39 -0.24 0.24 3.18 -0.71 -0.90 -5.03 117.98 114.13 3h1c s PHE 9 Ca 0.03 0.48 -0.30 0.00 -1.04 0.00 0.00 56.93 56.11 3h1c s PHE 9 Cb -0.12 0.10 -0.09 0.00 -1.21 0.00 0.00 43.02 41.70 3h1c s PHE 9 CO 0.02 -0.30 1.00 -0.65 -1.34 0.00 0.00 175.22 173.95 3h1c s GLN 10 N -0.74 4.76 -0.30 1.99 -1.52 -1.26 -1.40 119.66 121.18 3h1c s GLN 10 Ca -0.08 1.60 -0.02 0.00 -1.95 0.00 0.00 55.36 54.91 3h1c s GLN 10 Cb -0.04 -3.26 0.12 0.00 -0.22 0.00 0.00 33.01 29.61 3h1c s GLN 10 CO 0.03 0.36 0.22 -0.47 -0.25 0.00 0.00 175.29 175.18 3h1c s TYR 11 N -0.99 -0.02 0.00 0.91 5.04 0.25 -4.92 117.35 117.61 3h1c s TYR 11 Ca 0.43 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 3h1c s TYR 11 Cb -0.28 -0.69 0.00 0.00 0.35 0.00 0.00 41.96 41.35 3h1c s TYR 11 CO 0.35 -0.88 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 3h1c n GLY 12 N 5.14 1.47 0.00 8.97 0.00 -1.26 -1.92 105.19 117.59 3h1c n GLY 12 Ca -0.02 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 2.15 -4.39 1.61 1.13 -1.26 -5.08 117.38 111.54 3h1c n GLN 13 Ca 0.00 -0.12 -0.28 0.00 -1.94 0.00 0.00 57.00 54.66 3h1c n GLN 13 Cb 0.00 -0.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.74 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 -0.34 2.37 -0.22 1.08 3.76 -0.81 -5.12 115.29 116.00 3h1c s HIS 14 Ca 0.00 -0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 54.45 3h1c s HIS 14 Cb 0.00 -1.21 -0.05 0.00 1.11 0.00 0.00 32.58 32.44 3h1c s HIS 14 CO 0.00 0.45 0.24 0.99 -0.85 0.00 0.00 174.74 175.57 3h1c s THR 15 N -1.47 5.31 -0.22 1.30 2.01 -1.26 -0.58 115.64 120.72 3h1c s THR 15 Ca 0.19 0.36 -0.09 0.00 0.31 0.00 0.00 61.69 62.47 3h1c s THR 15 Cb -0.09 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 3h1c s THR 15 CO 0.10 0.32 0.10 -0.69 -0.69 0.00 0.00 174.62 173.76 3h1c s VAL 16 N 1.07 4.86 -0.15 3.82 1.01 -0.50 -3.32 120.40 127.20 3h1c s VAL 16 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 3h1c s VAL 16 Cb -0.14 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 3h1c s VAL 16 CO 0.05 0.38 -0.08 -0.89 0.00 0.00 0.00 175.10 174.55 3h1c s THR 17 N 1.02 3.39 -0.15 3.92 2.01 -0.61 -2.12 115.64 123.09 3h1c s THR 17 Ca 0.05 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 3h1c s THR 17 Cb -0.14 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 3h1c s THR 17 CO 0.04 0.50 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.60 3h1c s LEU 18 N 0.53 2.82 -0.03 4.42 1.43 -0.07 -1.60 118.68 126.17 3h1c s LEU 18 Ca -0.06 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3h1c s LEU 18 Cb -0.15 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3h1c s LEU 18 CO 0.03 0.13 -0.04 -0.70 0.23 0.00 0.00 176.35 176.00 3h1c s GLU 19 N 0.59 0.71 0.10 1.70 2.12 -0.77 -1.33 118.70 121.83 3h1c s GLU 19 Ca -0.06 -0.11 -0.11 0.00 0.36 0.00 0.00 54.97 55.05 3h1c s GLU 19 Cb -0.15 -0.73 0.01 0.00 0.26 0.00 0.00 34.13 33.51 3h1c s GLU 19 CO 0.03 -0.04 0.25 -0.08 -0.54 0.00 0.00 175.26 174.88 3h1c s THR 20 N 0.72 0.12 0.00 -1.70 -1.32 -0.89 0.38 115.64 112.95 3h1c s THR 20 Ca -0.09 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.34 3h1c s THR 20 Cb -0.12 -1.34 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 3h1c s THR 20 CO 0.00 -0.54 0.00 0.61 -2.21 0.00 0.00 174.62 172.48 3h1c n GLY 21 N -0.12 3.24 0.07 6.08 0.00 -1.26 -1.27 105.19 111.93 3h1c n GLY 21 Ca -0.15 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 3h1c n GLY 21 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3h1c h MET 22 N 0.00 0.00 -6.57 1.61 -1.53 -1.92 -3.42 114.93 103.10 3h1c h MET 22 Ca 0.00 0.00 -0.52 0.00 -3.44 0.00 0.00 59.70 55.74 3h1c h MET 22 Cb 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 3h1c h MET 22 CO 0.00 0.67 0.39 -1.64 0.14 0.00 0.00 176.91 176.47 3h1c s MET 23 N -2.08 4.66 -0.98 0.39 -1.94 -1.26 -4.06 119.30 114.03 3h1c s MET 23 Ca -0.16 1.51 -0.11 0.00 -1.71 0.00 0.00 55.69 55.22 3h1c s MET 23 Cb -0.00 -3.36 -0.01 0.00 2.01 0.00 0.00 34.83 33.46 3h1c s MET 23 CO 0.46 0.16 0.75 0.00 -0.01 0.00 0.00 175.02 176.38 3h1c n ALA 24 N 2.81 -2.58 0.21 3.03 0.00 -1.26 -4.59 120.51 118.13 3h1c n ALA 24 Ca 0.03 -0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.41 3h1c n ALA 24 Cb 0.49 -3.09 0.29 0.00 0.00 0.00 0.00 19.45 17.14 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 -1.00 0.00 0.00 0.00 3.08 -1.81 -3.13 114.38 111.52 3h1c h ARG 25 Ca -0.50 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.42 3h1c h ARG 25 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 3h1c h ARG 25 CO 0.42 0.18 -0.60 0.37 -1.07 0.00 0.00 179.97 179.27 3h1c h GLN 26 N 0.00 0.00 -7.50 0.04 4.15 -1.94 -3.45 115.11 106.41 3h1c h GLN 26 Ca -0.00 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.94 3h1c h GLN 26 Cb 0.95 0.00 0.10 0.00 0.21 0.00 0.00 27.48 28.74 3h1c h GLN 26 CO 0.02 0.60 0.38 0.00 -1.93 0.00 0.00 178.83 177.91 3h1c s ALA 27 N -3.00 2.57 0.08 3.38 0.00 -1.18 -5.01 121.76 118.60 3h1c s ALA 27 Ca 0.03 -0.41 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 3h1c s ALA 27 Cb 0.09 -3.03 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 3h1c s ALA 27 CO 0.75 -1.53 1.54 1.15 0.00 0.00 0.00 175.76 177.67 3h1c h THR 28 N -0.94 1.23 -2.34 0.00 2.02 -1.84 -3.46 112.91 107.57 3h1c h THR 28 Ca -0.46 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 65.87 3h1c h THR 28 Cb 1.28 1.35 -0.21 0.00 -1.74 0.00 0.00 68.15 68.83 3h1c h THR 28 CO 0.63 0.24 -0.01 0.00 0.37 0.00 0.00 175.52 176.75 3h1c s ALA 29 N -5.13 -1.43 -0.17 6.16 0.00 -1.16 -4.68 121.76 115.34 3h1c s ALA 29 Ca -0.14 1.35 -0.05 0.00 0.00 0.00 0.00 51.96 53.12 3h1c s ALA 29 Cb 0.07 -0.53 0.08 0.00 0.00 0.00 0.00 23.12 22.74 3h1c s ALA 29 CO 0.72 -0.30 0.33 0.00 0.00 0.00 0.00 175.76 176.52 3h1c s ALA 30 N -0.36 -0.82 -0.14 0.00 0.00 -1.26 -1.82 121.76 117.37 3h1c s ALA 30 Ca -0.05 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.04 3h1c s ALA 30 Cb -0.03 -1.21 -0.00 0.00 0.00 0.00 0.00 23.12 21.87 3h1c s ALA 30 CO 0.04 -0.77 -0.18 0.08 0.00 0.00 0.00 175.76 174.93 3h1c s VAL 31 N 2.50 2.50 -0.63 0.00 1.01 -0.99 -4.28 120.40 120.50 3h1c s VAL 31 Ca 0.01 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 3h1c s VAL 31 Cb -0.13 -2.03 0.10 0.00 0.00 0.00 0.00 36.38 34.32 3h1c s VAL 31 CO -0.11 0.53 0.81 -0.32 0.00 0.00 0.00 175.10 176.01 3h1c s MET 32 N 0.67 3.10 -0.26 2.72 1.75 0.16 -3.29 119.30 124.14 3h1c s MET 32 Ca -0.09 -1.20 -0.10 0.00 -1.25 0.00 0.00 55.69 53.06 3h1c s MET 32 Cb -0.16 -4.28 -0.04 0.00 2.84 0.00 0.00 34.83 33.18 3h1c s MET 32 CO 0.02 -1.64 0.15 0.08 -0.65 0.00 0.00 175.02 172.97 3h1c s VAL 33 N 3.11 5.05 -0.06 10.11 1.01 -1.25 -1.84 120.40 136.54 3h1c s VAL 33 Ca 0.16 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.27 3h1c s VAL 33 Cb -0.21 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 3h1c s VAL 33 CO 0.07 0.31 -0.23 -0.94 0.00 0.00 0.00 175.10 174.30 3h1c s SER 34 N 1.47 2.84 -0.50 3.32 1.04 -0.63 -2.27 113.70 118.97 3h1c s SER 34 Ca 0.07 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.05 3h1c s SER 34 Cb -0.15 -0.82 0.14 0.00 0.10 0.00 0.00 66.02 65.30 3h1c s SER 34 CO 0.07 0.22 0.30 -0.32 0.98 0.00 0.00 173.24 174.48 3h1c s MET 35 N -0.08 1.58 -0.98 4.02 1.75 0.49 -1.57 119.30 124.51 3h1c s MET 35 Ca -0.05 -2.36 -0.05 0.00 -1.25 0.00 0.00 55.69 51.99 3h1c s MET 35 Cb -0.13 -2.61 -0.05 0.00 2.84 0.00 0.00 34.83 34.87 3h1c s MET 35 CO 0.04 -1.20 0.87 -3.47 -0.65 0.00 0.00 175.02 170.61 3h1c n ASP 36 N 3.13 -6.92 0.00 1.11 2.03 -1.21 -2.89 116.55 111.80 3h1c n ASP 36 Ca 0.12 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.87 3h1c n ASP 36 Cb 0.35 -5.23 0.00 0.00 -0.72 0.00 0.00 41.12 35.52 3h1c n ASP 36 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3h1c n ASP 37 N -2.89 0.00 -4.71 1.67 8.00 -1.26 -4.64 116.55 112.71 3h1c n ASP 37 Ca -0.05 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.09 3h1c n ASP 37 Cb 0.59 -0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.44 5.37 -0.04 -3.53 2.01 -1.14 -3.65 115.64 112.22 3h1c s THR 38 Ca 0.00 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 3h1c s THR 38 Cb 0.00 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 69.06 3h1c s THR 38 CO 0.00 0.43 0.10 0.00 -0.69 0.00 0.00 174.62 174.45 3h1c s ALA 39 N 0.46 -0.24 -0.15 7.40 0.00 0.97 0.19 121.76 130.40 3h1c s ALA 39 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3h1c s ALA 39 Cb -0.11 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.87 3h1c s ALA 39 CO -0.01 -0.05 -0.13 0.08 0.00 0.00 0.00 175.76 175.65 3h1c s VAL 40 N 0.04 1.52 -0.40 0.00 1.01 -0.96 -2.53 120.40 119.08 3h1c s VAL 40 Ca -0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 3h1c s VAL 40 Cb -0.01 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.95 3h1c s VAL 40 CO 0.00 0.43 0.94 0.12 0.00 0.00 0.00 175.10 176.59 3h1c s PHE 41 N 1.51 3.02 -0.09 5.22 5.36 0.85 -3.76 117.98 130.07 3h1c s PHE 41 Ca 0.05 0.65 0.03 0.00 -0.96 0.00 0.00 56.93 56.70 3h1c s PHE 41 Cb -0.13 -3.79 -0.01 0.00 -0.34 0.00 0.00 43.02 38.75 3h1c s PHE 41 CO -0.10 -0.93 -0.18 0.08 -1.46 0.00 0.00 175.22 172.62 3h1c s VAL 42 N 3.62 2.61 0.06 3.12 1.01 -1.21 -0.65 120.40 128.96 3h1c s VAL 42 Ca 0.38 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3h1c s VAL 42 Cb -0.11 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3h1c s VAL 42 CO 0.22 0.55 -0.23 0.42 0.00 0.00 0.00 175.10 176.07 3h1c s THR 43 N 0.03 1.83 -0.12 3.92 -4.23 -0.43 -2.35 115.64 114.29 3h1c s THR 43 Ca -0.07 -1.33 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 3h1c s THR 43 Cb -0.15 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.11 3h1c s THR 43 CO 0.05 0.20 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.50 3h1c s VAL 44 N -0.87 1.48 -0.14 2.29 1.01 -0.75 -1.28 120.40 122.14 3h1c s VAL 44 Ca 0.09 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3h1c s VAL 44 Cb -0.09 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.92 3h1c s VAL 44 CO 0.02 0.44 -0.21 -0.69 0.00 0.00 0.00 175.10 174.66 3h1c s VAL 45 N 1.21 2.14 -0.07 2.92 1.01 -0.63 -3.01 120.40 123.98 3h1c s VAL 45 Ca -0.02 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3h1c s VAL 45 Cb -0.14 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3h1c s VAL 45 CO -0.05 0.55 -0.16 -0.83 0.00 0.00 0.00 175.10 174.60 3h1c s GLY 46 N 0.82 0.95 0.25 4.51 0.00 -1.26 -1.27 107.32 111.31 3h1c s GLY 46 Ca -0.07 -0.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 3h1c s GLY 46 CO -0.02 -0.08 1.13 1.20 0.00 0.00 0.00 173.10 175.33 3h1c s GLN 47 N 0.46 4.59 0.12 2.90 -0.21 -0.97 -4.97 119.66 121.57 3h1c s GLN 47 Ca -0.13 1.83 -0.15 0.00 0.02 0.00 0.00 55.36 56.93 3h1c s GLN 47 Cb -0.15 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 3h1c s GLN 47 CO 0.05 0.11 1.53 0.87 -2.12 0.00 0.00 175.29 175.72 3h1c h LYS 48 N 4.28 0.69 -6.13 2.91 1.79 -2.00 -3.44 116.57 114.67 3h1c h LYS 48 Ca -0.46 -0.25 -0.69 0.00 -2.18 0.00 0.00 60.65 57.07 3h1c h LYS 48 Cb 1.21 -0.04 -0.31 0.00 -1.58 0.00 0.00 32.23 31.51 3h1c h LYS 48 CO 0.69 0.83 -0.88 -1.59 -1.08 0.00 0.00 179.45 177.42 3h1c s LYS 49 N -4.84 2.47 0.80 3.15 -2.85 -1.26 -5.08 119.74 112.14 3h1c s LYS 49 Ca -0.13 -0.91 -0.11 0.00 -1.00 0.00 0.00 55.97 53.83 3h1c s LYS 49 Cb 0.09 -2.14 0.10 0.00 -2.06 0.00 0.00 37.83 33.82 3h1c s LYS 49 CO 0.80 0.42 1.15 0.00 0.10 0.00 0.00 175.35 177.82 3h1c s ALA 50 N -0.25 2.77 0.36 0.59 0.00 -1.26 -4.89 121.76 119.07 3h1c s ALA 50 Ca -0.01 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.79 3h1c s ALA 50 Cb -0.13 -2.77 -0.10 0.00 0.00 0.00 0.00 23.12 20.12 3h1c s ALA 50 CO 0.03 -1.71 1.30 0.15 0.00 0.00 0.00 175.76 175.53 3h1c s LYS 51 N -5.52 4.22 0.49 0.00 -0.14 -1.26 -4.94 119.74 112.58 3h1c s LYS 51 Ca 0.64 2.18 0.14 0.00 -1.36 0.00 0.00 55.97 57.57 3h1c s LYS 51 Cb -0.09 -2.95 1.14 0.00 -1.68 0.00 0.00 37.83 34.25 3h1c s LYS 51 CO 0.48 -0.29 2.09 -1.00 -0.76 0.00 0.00 175.35 175.88 3h1c h PRO 52 N 3.12 0.07 -1.87 -1.68 0.13 -2.01 -3.05 132.00 126.70 3h1c h PRO 52 Ca -0.49 -0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.02 3h1c h PRO 52 Cb 1.23 -0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 3h1c h PRO 52 CO 0.64 0.10 -0.49 0.41 -0.23 0.00 0.00 178.00 178.43 3h1c n GLY 53 N -1.39 5.84 3.55 1.56 0.00 -1.26 -5.04 105.19 108.45 3h1c n GLY 53 Ca -0.02 -2.75 -0.34 0.00 0.00 0.00 0.00 46.02 42.91 3h1c n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h1c s GLN 54 N -3.59 3.25 0.00 1.61 2.00 -1.16 -4.99 119.66 116.78 3h1c s GLN 54 Ca 0.48 -0.52 0.00 0.00 -2.00 0.00 0.00 55.36 53.33 3h1c s GLN 54 Cb 0.35 -2.78 0.00 0.00 0.80 0.00 0.00 33.01 31.38 3h1c s GLN 54 CO -0.18 0.46 0.00 -3.47 -0.50 0.00 0.00 175.29 171.59 3h1c n ASP 55 N 2.87 3.90 -4.99 6.67 2.03 -1.26 -5.02 116.55 120.75 3h1c n ASP 55 Ca -0.18 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 54.94 3h1c n ASP 55 Cb 0.53 0.26 -0.00 0.00 -0.72 0.00 0.00 41.12 41.19 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 -1.84 3.10 -0.37 -0.67 -0.12 -1.26 -4.99 117.98 111.83 3h1c s PHE 56 Ca 0.00 -0.22 -0.18 0.00 -0.05 0.00 0.00 56.93 56.48 3h1c s PHE 56 Cb 0.00 -2.02 0.00 0.00 -0.63 0.00 0.00 43.02 40.37 3h1c s PHE 56 CO 0.00 -0.04 0.53 0.12 -0.05 0.00 0.00 175.22 175.78 3h1c s PHE 57 N -2.19 3.16 -0.65 3.49 5.36 -1.26 -4.78 117.98 121.11 3h1c s PHE 57 Ca 0.46 0.10 -0.22 0.00 -0.96 0.00 0.00 56.93 56.30 3h1c s PHE 57 Cb -0.10 -2.98 0.08 0.00 -0.34 0.00 0.00 43.02 39.68 3h1c s PHE 57 CO 0.31 -0.60 0.93 -1.25 -1.46 0.00 0.00 175.22 173.16 3h1c s PRO 58 N 2.43 3.11 -0.22 10.12 0.04 -1.26 -5.01 135.00 144.21 3h1c s PRO 58 Ca 0.19 -0.91 -0.03 0.00 0.04 0.00 0.00 61.00 60.28 3h1c s PRO 58 Cb -0.15 -4.24 -0.00 0.00 0.04 0.00 0.00 34.50 30.14 3h1c s PRO 58 CO 0.14 -1.78 -0.06 -1.17 0.04 0.00 0.00 177.00 174.17 3h1c s LEU 59 N 3.87 2.82 -0.14 -3.56 2.96 -1.26 -3.08 118.68 120.28 3h1c s LEU 59 Ca 0.21 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3h1c s LEU 59 Cb -0.18 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.83 3h1c s LEU 59 CO 0.09 -0.03 -0.14 0.28 -1.32 0.00 0.00 176.35 175.23 3h1c s THR 60 N 1.45 1.56 -0.21 3.68 -1.32 -1.17 -5.08 115.64 114.55 3h1c s THR 60 Ca 0.05 -0.63 -0.01 0.00 -1.21 0.00 0.00 61.69 59.89 3h1c s THR 60 Cb -0.14 -1.46 0.02 0.00 -1.51 0.00 0.00 72.50 69.41 3h1c s THR 60 CO -0.05 0.46 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.00 3h1c s VAL 61 N 1.41 2.55 -0.30 5.08 1.01 -1.26 -1.56 120.40 127.32 3h1c s VAL 61 Ca 0.03 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 3h1c s VAL 61 Cb -0.13 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.11 3h1c s VAL 61 CO -0.09 0.40 0.06 0.20 0.00 0.00 0.00 175.10 175.67 3h1c s ASN 62 N 1.33 5.03 -0.28 3.32 0.01 0.27 -4.90 114.94 119.72 3h1c s ASN 62 Ca 0.03 -0.97 -0.05 0.00 -0.71 0.00 0.00 52.86 51.16 3h1c s ASN 62 Cb -0.14 -1.82 0.02 0.00 0.41 0.00 0.00 41.25 39.71 3h1c s ASN 62 CO -0.08 -0.24 0.04 -0.47 -1.51 0.00 0.00 177.10 174.83 3h1c s TYR 63 N 1.40 3.13 -0.10 2.20 5.04 -1.26 -0.68 117.35 127.08 3h1c s TYR 63 Ca -0.00 -1.20 0.02 0.00 -2.44 0.00 0.00 57.07 53.44 3h1c s TYR 63 Cb -0.18 -2.19 0.01 0.00 0.35 0.00 0.00 41.96 39.95 3h1c s TYR 63 CO 0.01 -0.64 -0.15 1.14 -1.34 0.00 0.00 175.55 174.57 3h1c s GLN 64 N 1.43 2.17 -0.23 4.97 -2.07 -0.58 -4.72 119.66 120.65 3h1c s GLN 64 Ca 0.01 -0.55 -0.18 0.00 -1.82 0.00 0.00 55.36 52.83 3h1c s GLN 64 Cb -0.17 -1.84 -0.03 0.00 -1.09 0.00 0.00 33.01 29.88 3h1c s GLN 64 CO 0.00 -0.05 0.52 -1.21 -1.32 0.00 0.00 175.29 173.23 3h1c s GLU 65 N 0.95 4.13 -0.02 9.60 2.02 -1.26 -2.19 118.70 131.94 3h1c s GLU 65 Ca -0.07 0.37 -0.10 0.00 0.02 0.00 0.00 54.97 55.19 3h1c s GLU 65 Cb -0.15 -3.60 -0.05 0.00 0.10 0.00 0.00 34.13 30.43 3h1c s GLU 65 CO -0.01 -0.24 0.29 1.03 0.02 0.00 0.00 175.26 176.35 3h1c s ARG 66 N 1.94 3.67 0.39 1.61 0.52 -1.18 -4.96 118.95 120.94 3h1c s ARG 66 Ca 0.23 0.09 0.20 0.00 -0.52 0.00 0.00 55.73 55.73 3h1c s ARG 66 Cb -0.15 -3.15 0.73 0.00 0.52 0.00 0.00 34.95 32.89 3h1c s ARG 66 CO 0.09 0.69 1.75 1.79 0.02 0.00 0.00 175.30 179.64 3h1c h THR 67 N 3.51 0.78 0.00 0.02 1.35 -1.88 -2.88 112.91 113.81 3h1c h THR 67 Ca -0.52 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 3h1c h THR 67 Cb 1.21 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 3h1c h THR 67 CO 0.62 0.33 0.00 0.00 -0.25 0.00 0.00 175.52 176.22 3h1c n TYR 68 N -3.48 0.00 -0.05 4.73 4.11 -1.26 -2.69 117.16 118.53 3h1c n TYR 68 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.83 3h1c n TYR 68 Cb 0.49 -0.21 0.11 0.00 -0.00 0.00 0.00 39.34 39.73 3h1c n TYR 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3h1c h ALA 69 N 3.17 0.90 0.00 -3.48 0.00 -1.64 -2.93 119.26 115.29 3h1c h ALA 69 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3h1c h ALA 69 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h1c h ALA 69 CO 0.00 0.62 -0.81 0.00 0.00 0.00 0.00 179.25 179.06 3h1c n ALA 70 N -2.50 3.58 -1.54 0.00 0.00 -1.12 -2.24 120.51 116.69 3h1c n ALA 70 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3h1c n ALA 70 Cb 0.46 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 1.43 0.86 3.28 0.00 0.00 -1.11 -5.06 105.19 104.59 3h1c n GLY 71 Ca 0.03 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 3h1c n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h1c s ARG 72 N -3.10 0.63 -0.13 1.61 3.52 -1.09 -5.01 118.95 115.38 3h1c s ARG 72 Ca 0.00 0.11 -0.24 0.00 -0.13 0.00 0.00 55.73 55.47 3h1c s ARG 72 Cb 0.00 0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.66 3h1c s ARG 72 CO 0.00 -0.15 0.76 0.42 -0.81 0.00 0.00 175.30 175.52 3h1c s ILE 73 N -0.78 4.96 0.60 4.11 1.01 -1.26 -3.98 121.20 125.86 3h1c s ILE 73 Ca -0.09 1.52 -0.19 0.00 0.00 0.00 0.00 60.65 61.90 3h1c s ILE 73 Cb -0.04 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3h1c s ILE 73 CO 0.03 0.13 1.05 -0.81 0.00 0.00 0.00 174.94 175.35 3h1c n PRO 74 N 4.60 1.01 -0.14 2.79 -0.04 -1.26 -4.91 135.00 137.05 3h1c n PRO 74 Ca 0.02 0.39 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 3h1c n PRO 74 Cb 0.50 -2.26 0.10 0.00 -0.04 0.00 0.00 33.50 31.80 3h1c n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h1c n GLY 75 N 1.18 0.46 3.83 0.55 0.00 -1.26 -4.69 105.19 105.26 3h1c n GLY 75 Ca 0.14 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3h1c n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h1c s SER 76 N -0.79 4.80 0.15 1.61 0.15 -1.26 -4.98 113.70 113.37 3h1c s SER 76 Ca 0.14 1.26 -0.09 0.00 0.70 0.00 0.00 55.95 57.96 3h1c s SER 76 Cb 0.08 -2.01 -0.02 0.00 -1.71 0.00 0.00 66.02 62.36 3h1c s SER 76 CO 0.08 -1.77 1.44 0.15 1.20 0.00 0.00 173.24 174.34 3h1c h PHE 77 N -0.95 1.00 0.00 3.44 3.57 -1.96 -3.00 116.94 119.04 3h1c h PHE 77 Ca -0.46 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 60.69 3h1c h PHE 77 Cb 1.26 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.81 3h1c h PHE 77 CO 0.48 1.15 -0.24 1.19 -2.23 0.00 0.00 178.31 178.66 3h1c n PHE 78 N -4.00 0.58 -3.54 0.41 3.72 -1.26 -4.97 117.46 108.40 3h1c n PHE 78 Ca -0.04 0.17 -0.22 0.00 -0.05 0.00 0.00 57.45 57.31 3h1c n PHE 78 Cb 0.61 -0.72 0.05 0.00 -0.94 0.00 0.00 39.48 38.49 3h1c n PHE 78 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3h1c n ARG 79 N -2.02 -3.40 -3.72 -1.08 1.74 -1.13 -5.02 116.66 102.03 3h1c n ARG 79 Ca 0.05 0.67 -0.13 0.00 -0.77 0.00 0.00 57.85 57.67 3h1c n ARG 79 Cb 0.41 -5.17 -0.07 0.00 -1.02 0.00 0.00 32.46 26.61 3h1c n ARG 79 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3h1c s ARG 80 N -5.47 0.81 -0.49 5.56 3.52 -1.26 -4.80 118.95 116.82 3h1c s ARG 80 Ca 0.25 -0.31 -0.28 0.00 -0.13 0.00 0.00 55.73 55.26 3h1c s ARG 80 Cb -0.06 0.36 -0.00 0.00 -1.56 0.00 0.00 34.95 33.69 3h1c s ARG 80 CO 0.80 -0.25 1.60 -1.21 -0.81 0.00 0.00 175.30 175.42 3h1c s GLU 81 N -2.03 3.22 0.00 5.12 8.01 -1.26 -4.91 118.70 126.85 3h1c s GLU 81 Ca -0.08 0.80 0.00 0.00 0.01 0.00 0.00 54.97 55.70 3h1c s GLU 81 Cb -0.02 -4.18 0.00 0.00 -4.31 0.00 0.00 34.13 25.62 3h1c s GLU 81 CO 0.00 -2.01 0.00 0.41 0.01 0.00 0.00 175.26 173.67 3h1c n GLY 82 N 5.36 0.55 3.77 -1.39 0.00 -1.26 -5.05 105.19 107.16 3h1c n GLY 82 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3h1c n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1c s ARG 83 N 3.51 4.36 0.33 1.61 1.81 -1.26 -4.97 118.95 124.34 3h1c s ARG 83 Ca 0.00 2.12 -0.29 0.00 -1.72 0.00 0.00 55.73 55.84 3h1c s ARG 83 Cb 0.00 -3.05 -0.11 0.00 -0.45 0.00 0.00 34.95 31.34 3h1c s ARG 83 CO 0.00 -0.15 1.51 -1.25 -0.68 0.00 0.00 175.30 174.74 3h1c s PRO 84 N -1.79 4.14 0.97 3.54 0.04 -1.26 -5.01 135.00 135.62 3h1c s PRO 84 Ca 0.49 2.53 -0.16 0.00 0.04 0.00 0.00 61.00 63.91 3h1c s PRO 84 Cb -0.38 -3.00 0.19 0.00 0.04 0.00 0.00 34.50 31.35 3h1c s PRO 84 CO 0.50 -0.54 1.26 0.45 0.04 0.00 0.00 177.00 178.70 3h1c s SER 85 N 0.11 3.05 0.27 6.66 0.15 -1.26 -4.83 113.70 117.85 3h1c s SER 85 Ca 0.57 0.45 -0.04 0.00 0.70 0.00 0.00 55.95 57.63 3h1c s SER 85 Cb -0.46 -0.64 0.35 0.00 -1.71 0.00 0.00 66.02 63.56 3h1c s SER 85 CO 0.55 -2.79 1.93 -0.08 1.20 0.00 0.00 173.24 174.06 3h1c h GLU 86 N -1.67 1.18 -0.12 5.44 4.81 -2.00 -1.90 114.58 120.32 3h1c h GLU 86 Ca -0.45 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 58.64 3h1c h GLU 86 Cb 1.27 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 3h1c h GLU 86 CO 0.44 0.80 -0.11 0.78 -0.73 0.00 0.00 179.01 180.19 3h1c h GLY 87 N 1.21 0.30 1.80 1.92 0.00 -2.00 -3.06 103.07 103.24 3h1c h GLY 87 Ca 0.32 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3h1c h GLY 87 CO -0.06 0.28 0.08 0.83 0.00 0.00 0.00 176.54 177.66 3h1c h GLU 88 N -0.11 0.03 -0.02 4.80 5.08 -1.84 -1.41 114.58 121.11 3h1c h GLU 88 Ca 0.02 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.19 3h1c h GLU 88 Cb 0.62 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3h1c h GLU 88 CO 0.03 0.02 -0.80 1.15 -1.00 0.00 0.00 179.01 178.41 3h1c h THR 89 N 0.03 1.46 -0.10 1.13 2.02 -1.37 -3.02 112.91 113.06 3h1c h THR 89 Ca 0.05 -2.43 -0.05 0.00 0.77 0.00 0.00 66.41 64.74 3h1c h THR 89 Cb 0.17 2.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3h1c h THR 89 CO -0.00 0.71 -0.15 -0.07 0.37 0.00 0.00 175.52 176.38 3h1c h LEU 90 N 0.13 0.31 -1.24 2.58 3.38 -1.16 -2.89 115.31 116.42 3h1c h LEU 90 Ca -0.03 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 57.35 3h1c h LEU 90 Cb 1.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3h1c h LEU 90 CO 0.12 0.77 -0.20 0.40 0.09 0.00 0.00 178.44 179.63 3h1c h ILE 91 N -0.15 1.22 -0.62 1.22 5.03 -1.60 -2.31 117.51 120.30 3h1c h ILE 91 Ca 0.01 -1.00 0.04 0.00 -0.12 0.00 0.00 64.86 63.79 3h1c h ILE 91 Cb 0.70 1.32 -0.04 0.00 -3.03 0.00 0.00 36.82 35.77 3h1c h ILE 91 CO 0.03 0.31 0.41 0.00 -0.68 0.00 0.00 178.15 178.22 3h1c h ALA 92 N 1.55 1.69 -0.02 1.87 0.00 -1.47 -1.56 119.26 121.33 3h1c h ALA 92 Ca 0.05 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3h1c h ALA 92 Cb 0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h1c h ALA 92 CO 0.03 0.23 -0.84 -0.09 0.00 0.00 0.00 179.25 178.59 3h1c h ARG 93 N 0.71 0.27 0.00 0.00 2.43 -1.22 -1.97 114.38 114.60 3h1c h ARG 93 Ca 0.25 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3h1c h ARG 93 Cb 0.12 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3h1c h ARG 93 CO -0.07 0.96 0.00 1.28 -1.51 0.00 0.00 179.97 180.63 3h1c n LEU 94 N -3.72 0.00 -0.09 3.80 4.32 -0.63 -0.75 117.00 119.92 3h1c n LEU 94 Ca -0.04 0.41 -0.13 0.00 -0.02 0.00 0.00 56.01 56.23 3h1c n LEU 94 Cb 0.78 -0.41 -0.09 0.00 -1.62 0.00 0.00 43.42 42.08 3h1c n LEU 94 CO 0.48 -0.25 -1.11 -0.38 -1.22 0.00 0.00 177.39 174.91 3h1c n ILE 95 N -1.41 1.08 -0.03 -0.08 5.41 -0.94 -4.60 119.36 118.79 3h1c n ILE 95 Ca 0.04 -0.41 -0.17 0.00 1.00 0.00 0.00 62.75 63.21 3h1c n ILE 95 Cb 0.12 -1.16 -0.07 0.00 -0.71 0.00 0.00 39.64 37.81 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 0.00 0.82 -0.28 4.38 3.58 -1.07 -3.33 116.42 120.52 3h1c h ASP 96 Ca -0.42 -0.62 -0.09 0.00 0.42 0.00 0.00 57.03 56.32 3h1c h ASP 96 Cb 1.65 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.45 3h1c h ASP 96 CO -0.06 1.31 -0.16 -0.09 -2.88 0.00 0.00 179.24 177.36 3h1c h ARG 97 N 0.39 0.61 0.00 0.28 2.43 -1.21 -2.89 114.38 113.99 3h1c h ARG 97 Ca -0.04 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 3h1c h ARG 97 Cb 1.28 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3h1c h ARG 97 CO 0.13 0.86 -0.34 -1.00 -1.51 0.00 0.00 179.97 178.11 3h1c h PRO 98 N 0.35 0.00 0.00 0.20 0.13 -1.78 -3.26 132.00 127.63 3h1c h PRO 98 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3h1c h PRO 98 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3h1c h PRO 98 CO 0.05 0.34 -0.90 -0.84 -0.23 0.00 0.00 178.00 176.42 3h1c h ILE 99 N 0.00 0.00 -0.34 -3.56 3.07 -1.66 -3.40 117.51 111.62 3h1c h ILE 99 Ca -0.00 -0.91 -0.00 0.00 1.55 0.00 0.00 64.86 65.50 3h1c h ILE 99 Cb 0.84 1.44 -0.02 0.00 -0.27 0.00 0.00 36.82 38.81 3h1c h ILE 99 CO 0.04 0.00 0.21 -0.09 -1.05 0.00 0.00 178.15 177.26 3h1c h ARG 100 N 0.00 0.46 0.00 0.16 2.43 -1.55 -2.55 114.38 113.32 3h1c h ARG 100 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3h1c h ARG 100 Cb 0.95 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3h1c h ARG 100 CO 0.00 0.34 0.00 -1.35 -1.51 0.00 0.00 179.97 177.45 3h1c h PRO 101 N 0.45 0.00 0.00 0.20 0.11 -1.77 -3.18 132.00 127.81 3h1c h PRO 101 Ca 0.12 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 3h1c h PRO 101 Cb -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3h1c h PRO 101 CO -0.02 0.00 -0.34 -0.07 -0.21 0.00 0.00 178.00 177.36 3h1c h LEU 102 N 0.00 0.00 -9.79 2.35 3.38 -1.67 -3.44 115.31 106.14 3h1c h LEU 102 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3h1c h LEU 102 Cb 0.53 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.33 3h1c h LEU 102 CO 0.00 0.34 0.60 -0.36 0.09 0.00 0.00 178.44 179.11 3h1c s PHE 103 N -3.72 3.25 0.63 1.13 0.40 -1.20 -3.40 117.98 115.06 3h1c s PHE 103 Ca -0.00 1.41 -0.17 0.00 -0.60 0.00 0.00 56.93 57.56 3h1c s PHE 103 Cb 0.11 -3.56 -0.02 0.00 0.51 0.00 0.00 43.02 40.07 3h1c s PHE 103 CO 0.68 -1.56 1.18 -1.25 0.70 0.00 0.00 175.22 174.97 3h1c s PRO 104 N -1.11 2.82 0.01 0.24 0.04 -1.26 -4.96 135.00 130.77 3h1c s PRO 104 Ca 0.51 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 3h1c s PRO 104 Cb -0.37 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 3h1c s PRO 104 CO 0.45 -1.30 1.30 -2.00 0.04 0.00 0.00 177.00 175.49 3h1c s GLU 105 N -3.57 4.34 0.00 4.56 2.12 -1.26 -2.99 118.70 121.90 3h1c s GLU 105 Ca 0.75 1.85 0.00 0.00 0.36 0.00 0.00 54.97 57.92 3h1c s GLU 105 Cb -0.28 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.62 3h1c s GLU 105 CO 0.36 -0.46 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 3h1c n GLY 106 N 3.46 1.22 3.68 -1.50 0.00 -1.26 -4.95 105.19 105.84 3h1c n GLY 106 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.08 3.00 0.00 1.61 5.36 -1.16 -4.89 117.98 119.82 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 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.20 3h1c s PHE 107 CO 0.00 -1.60 0.26 1.33 -1.46 0.00 0.00 175.22 173.75 3h1c n VAL 108 N 4.95 0.00 -2.18 3.12 0.24 -1.26 -4.52 118.33 118.68 3h1c n VAL 108 Ca 0.12 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.34 61.55 3h1c n VAL 108 Cb 0.45 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 3h1c n VAL 108 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3h1c s ASN 109 N -0.41 6.85 0.01 -1.34 0.01 -1.26 -4.57 114.94 114.24 3h1c s ASN 109 Ca 0.00 2.57 -0.30 0.00 -0.71 0.00 0.00 52.86 54.42 3h1c s ASN 109 Cb 0.00 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 3h1c s ASN 109 CO 0.00 -0.50 1.22 -0.70 -1.51 0.00 0.00 177.10 175.61 3h1c s GLU 110 N -1.25 4.39 -0.00 -0.60 2.12 -1.26 -4.65 118.70 117.44 3h1c s GLU 110 Ca 0.51 1.75 0.05 0.00 0.36 0.00 0.00 54.97 57.64 3h1c s GLU 110 Cb -0.38 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 3h1c s GLU 110 CO 0.47 -0.35 -0.15 0.14 -0.54 0.00 0.00 175.26 174.83 3h1c s VAL 111 N 1.60 1.20 -0.07 3.70 -7.23 -1.18 -2.30 120.40 116.12 3h1c s VAL 111 Ca 0.58 -0.70 0.03 0.00 -1.81 0.00 0.00 61.98 60.08 3h1c s VAL 111 Cb -0.28 -1.01 0.01 0.00 0.56 0.00 0.00 36.38 35.66 3h1c s VAL 111 CO 0.26 0.30 -0.14 -1.58 -0.31 0.00 0.00 175.10 173.63 3h1c s GLN 112 N -0.46 1.90 -0.26 4.82 0.74 -0.40 -3.05 119.66 122.95 3h1c s GLN 112 Ca 0.05 -0.48 -0.03 0.00 0.05 0.00 0.00 55.36 54.96 3h1c s GLN 112 Cb -0.06 -1.54 0.03 0.00 1.10 0.00 0.00 33.01 32.54 3h1c s GLN 112 CO -0.00 0.05 -0.03 0.08 -0.55 0.00 0.00 175.29 174.84 3h1c s VAL 113 N 0.60 3.08 -0.31 1.34 1.01 -0.60 -1.60 120.40 123.92 3h1c s VAL 113 Ca -0.15 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.77 3h1c s VAL 113 Cb -0.16 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.66 3h1c s VAL 113 CO 0.04 0.14 0.05 -0.63 0.00 0.00 0.00 175.10 174.70 3h1c s ILE 114 N 1.35 3.44 -0.24 2.22 1.01 -0.40 -0.56 121.20 128.01 3h1c s ILE 114 Ca -0.00 -1.17 -0.08 0.00 0.00 0.00 0.00 60.65 59.40 3h1c s ILE 114 Cb -0.17 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3h1c s ILE 114 CO -0.03 -0.10 0.09 0.00 0.00 0.00 0.00 174.94 174.90 3h1c s ALA 115 N 1.35 3.25 -0.17 9.38 0.00 0.14 -1.32 121.76 134.40 3h1c s ALA 115 Ca -0.02 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3h1c s ALA 115 Cb -0.19 -2.11 0.02 0.00 0.00 0.00 0.00 23.12 20.84 3h1c s ALA 115 CO 0.01 -0.39 -0.18 0.95 0.00 0.00 0.00 175.76 176.15 3h1c s THR 116 N 1.43 1.92 -0.24 0.00 -4.23 0.17 -1.52 115.64 113.17 3h1c s THR 116 Ca 0.06 -0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 59.40 3h1c s THR 116 Cb -0.15 -1.76 -0.00 0.00 1.34 0.00 0.00 72.50 71.93 3h1c s THR 116 CO 0.04 0.49 1.23 -0.69 -0.54 0.00 0.00 174.62 175.16 3h1c s VAL 117 N 1.34 4.30 -0.05 2.29 1.01 -0.93 -0.11 120.40 128.25 3h1c s VAL 117 Ca 0.04 1.53 0.07 0.00 0.00 0.00 0.00 61.98 63.62 3h1c s VAL 117 Cb -0.13 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 3h1c s VAL 117 CO -0.12 -0.30 0.06 0.55 0.00 0.00 0.00 175.10 175.29 3h1c n VAL 118 N 5.72 0.36 -3.76 2.92 3.14 -1.05 -3.07 118.33 122.59 3h1c n VAL 118 Ca 0.14 -0.27 -0.13 0.00 -2.96 0.00 0.00 64.34 61.12 3h1c n VAL 118 Cb 0.46 -0.51 -0.10 0.00 -1.06 0.00 0.00 33.84 32.63 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 -3.61 -0.28 -0.05 6.55 1.04 -1.15 -3.98 113.70 112.22 3h1c s SER 119 Ca -0.03 0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.76 3h1c s SER 119 Cb 0.03 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3h1c s SER 119 CO 0.30 -0.26 0.15 0.54 0.98 0.00 0.00 173.24 174.95 3h1c s VAL 120 N -0.47 0.01 -0.21 5.02 0.11 -0.95 -0.02 120.40 123.89 3h1c s VAL 120 Ca -0.06 -0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 58.83 3h1c s VAL 120 Cb -0.04 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 3h1c s VAL 120 CO 0.02 -0.06 -0.02 0.21 -3.33 0.00 0.00 175.10 171.92 3h1c s ASN 121 N -0.16 4.60 0.63 3.54 2.47 -1.26 -4.71 114.94 120.04 3h1c s ASN 121 Ca -0.02 -0.29 0.23 0.00 0.42 0.00 0.00 52.86 53.20 3h1c s ASN 121 Cb -0.02 -1.79 1.11 0.00 -1.45 0.00 0.00 41.25 39.10 3h1c s ASN 121 CO 0.00 0.02 1.59 -0.65 -3.72 0.00 0.00 177.10 174.34 3h1c h PRO 122 N 7.81 0.00 0.21 0.43 0.11 -1.96 0.12 132.00 138.73 3h1c h PRO 122 Ca -0.38 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.40 3h1c h PRO 122 Cb 1.17 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.31 3h1c h PRO 122 CO 0.60 0.00 -1.53 1.96 -0.21 0.00 0.00 178.00 178.82 3h1c h GLN 123 N 0.00 0.45 -5.18 1.05 1.08 -1.97 -3.41 115.11 107.14 3h1c h GLN 123 Ca 0.20 -0.78 -0.62 0.00 -1.45 0.00 0.00 58.65 56.00 3h1c h GLN 123 Cb 1.65 0.29 -0.14 0.00 -0.05 0.00 0.00 27.48 29.23 3h1c h GLN 123 CO -0.00 1.37 -0.33 0.08 -0.95 0.00 0.00 178.83 179.00 3h1c s VAL 124 N -2.57 5.24 -0.05 -0.54 1.01 0.03 -2.83 120.40 120.69 3h1c s VAL 124 Ca -0.13 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 3h1c s VAL 124 Cb 0.04 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3h1c s VAL 124 CO 0.89 0.24 1.07 0.21 0.00 0.00 0.00 175.10 177.52 3h1c s ASN 125 N 1.35 7.20 0.00 3.32 3.84 -1.26 -4.39 114.94 125.00 3h1c s ASN 125 Ca 0.13 1.68 0.05 0.00 0.21 0.00 0.00 52.86 54.94 3h1c s ASN 125 Cb -0.15 -2.56 0.30 0.00 -0.55 0.00 0.00 41.25 38.29 3h1c s ASN 125 CO 0.08 -0.45 0.84 -0.81 -2.79 0.00 0.00 177.10 173.98 3h1c n PRO 126 N 4.71 0.59 -0.03 0.43 -0.04 -1.26 -3.84 135.00 135.57 3h1c n PRO 126 Ca 0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 3h1c n PRO 126 Cb 0.48 -1.13 -0.11 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.24 1.78 3.54 2.03 -2.00 -2.71 116.42 119.30 3h1c h ASP 127 Ca 0.00 -0.73 0.00 0.00 -0.73 0.00 0.00 57.03 55.57 3h1c h ASP 127 Cb 0.00 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.43 3h1c h ASP 127 CO 0.00 0.93 0.00 0.40 -1.03 0.00 0.00 179.24 179.54 3h1c h ILE 128 N -0.44 0.00 -0.13 4.15 2.04 -1.98 -2.87 117.51 118.27 3h1c h ILE 128 Ca -0.02 -0.82 -0.20 0.00 1.00 0.00 0.00 64.86 64.82 3h1c h ILE 128 Cb 0.95 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 3h1c h ILE 128 CO 0.05 0.00 -0.71 0.58 0.00 0.00 0.00 178.15 178.07 3h1c h VAL 129 N 0.00 1.33 -0.02 1.67 2.07 -1.73 -2.83 116.25 116.74 3h1c h VAL 129 Ca 0.00 -2.01 -0.14 0.00 0.82 0.00 0.00 66.70 65.38 3h1c h VAL 129 Cb 0.89 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 3h1c h VAL 129 CO 0.00 0.62 -0.63 0.00 0.02 0.00 0.00 177.57 177.58 3h1c h ALA 130 N 0.79 0.92 -0.28 1.67 0.00 -1.42 -1.10 119.26 119.84 3h1c h ALA 130 Ca -0.03 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 3h1c h ALA 130 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3h1c h ALA 130 CO 0.14 0.77 -0.41 0.52 0.00 0.00 0.00 179.25 180.26 3h1c h MET 131 N 0.05 0.67 -0.03 0.00 2.07 -1.49 -1.48 114.93 114.72 3h1c h MET 131 Ca -0.01 -0.35 -0.17 0.00 -2.07 0.00 0.00 59.70 57.11 3h1c h MET 131 Cb 1.12 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.85 3h1c h MET 131 CO 0.09 0.96 -0.73 0.82 1.07 0.00 0.00 176.91 179.12 3h1c h ILE 132 N 0.54 1.45 -0.70 -1.22 2.04 -1.48 -2.58 117.51 115.56 3h1c h ILE 132 Ca 0.04 -2.30 0.03 0.00 1.00 0.00 0.00 64.86 63.63 3h1c h ILE 132 Cb 0.94 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 39.21 3h1c h ILE 132 CO 0.09 0.67 0.44 1.23 0.00 0.00 0.00 178.15 180.58 3h1c h GLY 133 N 1.72 1.01 1.90 5.37 0.00 -0.79 -0.77 103.07 111.51 3h1c h GLY 133 Ca -0.02 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 3h1c h GLY 133 CO 0.11 0.28 -0.89 0.00 0.00 0.00 0.00 176.54 176.05 3h1c h ALA 134 N 1.30 0.53 -0.40 3.60 0.00 -1.33 -2.84 119.26 120.12 3h1c h ALA 134 Ca 0.28 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3h1c h ALA 134 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3h1c h ALA 134 CO -0.11 1.01 0.14 1.03 0.00 0.00 0.00 179.25 181.33 3h1c h SER 135 N 0.04 0.56 0.41 0.00 0.87 -1.02 -0.72 113.55 113.70 3h1c h SER 135 Ca -0.03 -0.19 -0.17 0.00 -1.23 0.00 0.00 61.79 60.17 3h1c h SER 135 Cb 1.54 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 3h1c h SER 135 CO 0.12 0.59 -0.74 0.00 -0.53 0.00 0.00 176.83 176.28 3h1c h ALA 136 N 0.99 0.66 -0.29 6.23 0.00 -1.25 -2.94 119.26 122.66 3h1c h ALA 136 Ca 0.13 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 3h1c h ALA 136 Cb 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h1c h ALA 136 CO -0.01 0.80 -0.46 0.00 0.00 0.00 0.00 179.25 179.58 3h1c h ALA 137 N 1.04 0.45 0.00 0.00 0.00 -1.35 -2.04 119.26 117.37 3h1c h ALA 137 Ca -0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 3h1c h ALA 137 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3h1c h ALA 137 CO 0.12 0.61 -0.38 -0.07 0.00 0.00 0.00 179.25 179.53 3h1c h LEU 138 N 0.61 0.00 0.00 0.00 3.38 -1.21 -1.82 115.31 116.27 3h1c h LEU 138 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 3h1c h LEU 138 Cb 1.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3h1c h LEU 138 CO 0.11 0.38 -0.86 0.28 0.09 0.00 0.00 178.44 178.43 3h1c h SER 139 N 0.00 0.00 0.17 -0.43 0.02 -1.45 -3.31 113.55 108.55 3h1c h SER 139 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h1c h SER 139 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 3h1c h SER 139 CO 0.05 0.82 -0.71 0.18 -1.14 0.00 0.00 176.83 176.03 3h1c n LEU 140 N -3.29 0.99 -0.02 5.07 4.77 -0.77 -4.39 117.00 119.35 3h1c n LEU 140 Ca -0.00 -0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 55.45 3h1c n LEU 140 Cb 0.87 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.79 3h1c n LEU 140 CO 0.45 0.22 0.33 0.77 -1.33 0.00 0.00 177.39 177.83 3h1c h SER 141 N 0.43 0.71 0.00 -1.43 4.64 -1.42 -3.21 113.55 113.28 3h1c h SER 141 Ca 0.00 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3h1c h SER 141 Cb 0.53 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3h1c h SER 141 CO 0.00 1.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.81 3h1c n GLY 142 N 0.73 1.82 3.66 -0.77 0.00 -1.26 -4.83 105.19 104.54 3h1c n GLY 142 Ca -0.08 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.46 3h1c n GLY 142 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h1c n ILE 143 N -0.21 0.14 -1.33 -0.61 -0.00 -1.26 -0.14 119.36 115.95 3h1c n ILE 143 Ca 0.00 -0.03 -0.55 0.00 -0.00 0.00 0.00 62.75 62.18 3h1c n ILE 143 Cb 0.00 -1.53 -0.12 0.00 -0.00 0.00 0.00 39.64 37.99 3h1c n ILE 143 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3h1c n PRO 144 N 4.13 0.13 -3.59 0.38 -0.02 -1.26 -4.90 135.00 129.87 3h1c n PRO 144 Ca 0.19 0.03 -0.26 0.00 -2.02 0.00 0.00 63.50 61.43 3h1c n PRO 144 Cb 0.27 -1.63 -0.16 0.00 -0.02 0.00 0.00 33.50 31.96 3h1c n PRO 144 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3h1c s PHE 145 N 6.85 0.19 -1.24 6.00 5.36 -1.26 -4.48 117.98 129.40 3h1c s PHE 145 Ca 1.22 -0.41 -0.21 0.00 -0.96 0.00 0.00 56.93 56.58 3h1c s PHE 145 Cb -1.36 -0.72 -0.02 0.00 -0.34 0.00 0.00 43.02 40.58 3h1c s PHE 145 CO 0.60 -0.59 1.85 0.09 -1.46 0.00 0.00 175.22 175.71 3h1c n ASN 146 N 5.28 3.91 0.00 6.13 3.02 -1.22 -4.75 115.26 127.63 3h1c n ASN 146 Ca -0.07 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 3h1c n ASN 146 Cb 0.47 -1.74 0.00 0.00 -0.61 0.00 0.00 39.78 37.90 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 5.59 -2.83 3.74 7.41 0.00 -1.26 -5.00 105.19 112.85 3h1c n GLY 147 Ca 0.47 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 3h1c n GLY 147 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h1c s PRO 148 N -5.42 1.76 -0.05 1.61 0.02 -1.26 -4.94 135.00 126.73 3h1c s PRO 148 Ca 0.00 1.07 0.05 0.00 0.02 0.00 0.00 61.00 62.13 3h1c s PRO 148 Cb 0.00 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 3h1c s PRO 148 CO 0.00 -1.96 -0.18 -1.50 -0.33 0.00 0.00 177.00 173.03 3h1c s ILE 149 N -2.89 2.70 0.17 2.83 2.07 -1.26 -3.92 121.20 120.90 3h1c s ILE 149 Ca 0.62 -0.86 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 3h1c s ILE 149 Cb -0.18 -2.03 -0.04 0.00 0.13 0.00 0.00 42.46 40.35 3h1c s ILE 149 CO 0.57 0.58 0.33 -0.83 -1.91 0.00 0.00 174.94 173.68 3h1c s GLY 150 N -0.59 1.73 -0.04 1.50 0.00 0.18 -4.81 107.32 105.28 3h1c s GLY 150 Ca 0.09 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.87 3h1c s GLY 150 CO 0.01 -0.93 -0.06 0.00 0.00 0.00 0.00 173.10 172.12 3h1c s ALA 151 N -1.81 0.71 -0.09 3.20 0.00 -1.26 -2.94 121.76 119.58 3h1c s ALA 151 Ca 0.36 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 52.11 3h1c s ALA 151 Cb -0.11 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.64 3h1c s ALA 151 CO 0.29 0.03 0.27 0.00 0.00 0.00 0.00 175.76 176.35 3h1c s ALA 152 N 0.75 -0.68 -0.13 0.00 0.00 -1.04 -4.85 121.76 115.81 3h1c s ALA 152 Ca -0.11 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 3h1c s ALA 152 Cb -0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3h1c s ALA 152 CO 0.01 -0.15 -0.08 0.50 0.00 0.00 0.00 175.76 176.04 3h1c s ARG 153 N -0.11 3.45 -0.09 0.00 3.52 -1.26 -1.84 118.95 122.62 3h1c s ARG 153 Ca -0.02 -0.59 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 3h1c s ARG 153 Cb -0.03 -2.76 -0.01 0.00 -1.56 0.00 0.00 34.95 30.59 3h1c s ARG 153 CO 0.01 0.28 -0.20 0.08 -0.81 0.00 0.00 175.30 174.66 3h1c s VAL 154 N 0.22 2.48 0.49 7.11 1.01 0.14 0.60 120.40 132.44 3h1c s VAL 154 Ca -0.05 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.10 3h1c s VAL 154 Cb -0.15 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.32 3h1c s VAL 154 CO 0.04 0.55 0.50 0.61 0.00 0.00 0.00 175.10 176.80 3h1c n GLY 155 N 3.27 2.43 2.72 4.51 0.00 0.63 -1.13 105.19 117.62 3h1c n GLY 155 Ca -0.18 -2.25 -0.17 0.00 0.00 0.00 0.00 46.02 43.41 3h1c n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h1c s TYR 156 N -2.28 -0.24 -0.15 1.61 5.04 -1.24 -2.83 117.35 117.27 3h1c s TYR 156 Ca 0.38 -1.00 -0.03 0.00 -2.44 0.00 0.00 57.07 53.98 3h1c s TYR 156 Cb -0.03 -0.41 -0.03 0.00 0.35 0.00 0.00 41.96 41.85 3h1c s TYR 156 CO 0.24 -0.98 -0.04 0.42 -1.34 0.00 0.00 175.55 173.85 3h1c s ILE 157 N 1.20 3.84 -1.21 3.14 1.01 -0.67 -2.25 121.20 126.25 3h1c s ILE 157 Ca 0.20 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 3h1c s ILE 157 Cb -0.12 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.70 3h1c s ILE 157 CO -0.05 0.50 0.35 0.59 0.00 0.00 0.00 174.94 176.33 3h1c n ASN 158 N 3.50 -1.74 -3.67 3.58 3.02 -1.26 -1.69 115.26 117.01 3h1c n ASN 158 Ca -0.17 -1.16 -0.24 0.00 -0.03 0.00 0.00 54.58 52.98 3h1c n ASN 158 Cb 0.52 -1.41 0.06 0.00 -0.61 0.00 0.00 39.78 38.34 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 -2.11 -3.93 -3.71 6.41 8.00 -1.26 -5.01 116.55 114.94 3h1c n ASP 159 Ca -0.18 -0.68 -0.13 0.00 0.71 0.00 0.00 54.79 54.51 3h1c n ASP 159 Cb 0.55 -4.54 -0.09 0.00 -0.02 0.00 0.00 41.12 37.02 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 -6.12 0.54 0.11 -1.24 2.00 -0.68 -5.15 119.66 109.11 3h1c s GLN 160 Ca 0.36 0.68 -0.30 0.00 -2.00 0.00 0.00 55.36 54.10 3h1c s GLN 160 Cb -0.17 0.24 -0.06 0.00 0.80 0.00 0.00 33.01 33.82 3h1c s GLN 160 CO 0.77 -0.08 0.98 0.71 -0.50 0.00 0.00 175.29 177.18 3h1c s TYR 161 N 0.38 3.77 -0.09 1.67 1.51 -1.26 -1.67 117.35 121.65 3h1c s TYR 161 Ca -0.01 1.76 0.02 0.00 -1.01 0.00 0.00 57.07 57.83 3h1c s TYR 161 Cb -0.04 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 38.73 3h1c s TYR 161 CO -0.01 0.07 -0.15 0.08 -1.11 0.00 0.00 175.55 174.42 3h1c s VAL 162 N 0.08 1.44 -0.12 0.71 1.01 -1.13 -4.95 120.40 117.44 3h1c s VAL 162 Ca 0.48 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3h1c s VAL 162 Cb -0.24 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3h1c s VAL 162 CO 0.30 0.43 1.10 -0.22 0.00 0.00 0.00 175.10 176.71 3h1c s LEU 163 N 0.82 4.22 -0.49 3.92 2.96 -1.26 -0.27 118.68 128.58 3h1c s LEU 163 Ca -0.10 1.60 -0.19 0.00 -0.22 0.00 0.00 54.13 55.22 3h1c s LEU 163 Cb -0.16 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.01 3h1c s LEU 163 CO 0.01 -0.56 0.63 0.59 -1.32 0.00 0.00 176.35 175.70 3h1c n ASN 164 N 5.47 -7.22 -4.74 3.68 3.02 0.20 -4.84 115.26 110.84 3h1c n ASN 164 Ca 0.11 0.24 -0.40 0.00 -0.03 0.00 0.00 54.58 54.49 3h1c n ASN 164 Cb 0.47 -4.32 -0.05 0.00 -0.61 0.00 0.00 39.78 35.27 3h1c n ASN 164 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3h1c s PRO 165 N -2.72 4.76 0.91 3.52 0.02 -1.26 -5.00 135.00 135.23 3h1c s PRO 165 Ca 0.24 1.54 -0.13 0.00 0.02 0.00 0.00 61.00 62.68 3h1c s PRO 165 Cb -0.05 -3.30 0.14 0.00 0.02 0.00 0.00 34.50 31.31 3h1c s PRO 165 CO 0.80 0.35 1.16 0.95 -0.33 0.00 0.00 177.00 179.93 3h1c s THR 166 N -0.76 1.98 0.27 0.99 -4.23 -1.26 -4.68 115.64 107.96 3h1c s THR 166 Ca 0.44 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.94 3h1c s THR 166 Cb -0.26 -2.80 0.27 0.00 1.34 0.00 0.00 72.50 71.05 3h1c s THR 166 CO 0.33 0.00 1.84 -0.61 -0.54 0.00 0.00 174.62 175.63 3h1c h GLN 167 N -1.48 0.95 0.00 3.99 5.75 -1.75 0.36 115.11 122.92 3h1c h GLN 167 Ca -0.49 -0.06 -0.14 0.00 -0.15 0.00 0.00 58.65 57.81 3h1c h GLN 167 Cb 1.32 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 3h1c h GLN 167 CO 0.60 0.63 -0.66 -0.44 -2.65 0.00 0.00 178.83 176.31 3h1c h ASP 168 N 0.98 0.00 1.25 -0.69 3.32 -1.91 -3.27 116.42 116.10 3h1c h ASP 168 Ca 0.47 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.42 3h1c h ASP 168 Cb 0.42 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3h1c h ASP 168 CO -0.25 0.66 -0.79 -0.33 -1.72 0.00 0.00 179.24 176.81 3h1c h GLU 169 N 0.00 0.00 0.00 3.56 5.08 -1.53 -3.31 114.58 118.38 3h1c h GLU 169 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3h1c h GLU 169 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3h1c h GLU 169 CO 0.09 0.30 -0.26 1.25 -1.00 0.00 0.00 179.01 179.39 3h1c h LEU 170 N 0.00 0.00 -1.17 1.33 6.46 -0.40 -3.13 115.31 118.40 3h1c h LEU 170 Ca -0.05 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 3h1c h LEU 170 Cb 1.34 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.24 3h1c h LEU 170 CO 0.04 0.26 0.17 0.50 -0.62 0.00 0.00 178.44 178.79 3h1c h LYS 171 N 0.00 0.75 0.00 1.25 3.64 -1.66 -2.28 116.57 118.28 3h1c h LYS 171 Ca -0.00 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.19 3h1c h LYS 171 Cb 0.87 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3h1c h LYS 171 CO 0.03 0.65 -0.37 0.93 -2.27 0.00 0.00 179.45 178.41 3h1c h GLU 172 N 0.74 0.00 -6.99 1.90 4.39 -1.75 -3.46 114.58 109.40 3h1c h GLU 172 Ca 0.17 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.39 3h1c h GLU 172 Cb 0.20 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3h1c h GLU 172 CO -0.01 0.29 0.42 0.45 -1.16 0.00 0.00 179.01 179.00 3h1c s SER 173 N -6.30 6.53 -0.16 1.42 0.15 -0.86 -4.80 113.70 109.69 3h1c s SER 173 Ca 0.05 2.08 0.14 0.00 0.70 0.00 0.00 55.95 58.92 3h1c s SER 173 Cb 0.07 -2.58 -0.24 0.00 -1.71 0.00 0.00 66.02 61.55 3h1c s SER 173 CO 0.72 -0.65 0.21 0.29 1.20 0.00 0.00 173.24 175.01 3h1c n LYS 174 N -0.35 0.67 -5.07 5.44 4.01 -0.95 -4.92 118.16 116.98 3h1c n LYS 174 Ca 0.06 0.09 -0.32 0.00 -0.51 0.00 0.00 58.31 57.64 3h1c n LYS 174 Cb 0.50 -1.60 -0.15 0.00 -0.51 0.00 0.00 35.03 33.27 3h1c n LYS 174 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3h1c s LEU 175 N -5.79 2.38 -0.66 -0.35 2.96 -1.26 -3.10 118.68 112.85 3h1c s LEU 175 Ca -0.11 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 3h1c s LEU 175 Cb 0.07 -1.47 0.16 0.00 0.50 0.00 0.00 46.19 45.45 3h1c s LEU 175 CO 0.81 0.27 0.45 -0.62 -1.32 0.00 0.00 176.35 175.93 3h1c s ASP 176 N -0.28 4.84 -0.23 3.68 2.15 -0.09 -3.66 116.67 123.08 3h1c s ASP 176 Ca 0.01 -3.48 -0.18 0.00 0.43 0.00 0.00 52.55 49.33 3h1c s ASP 176 Cb -0.13 -1.69 -0.03 0.00 -0.30 0.00 0.00 42.92 40.77 3h1c s ASP 176 CO 0.03 -0.17 0.50 -0.22 -0.17 0.00 0.00 175.17 175.14 3h1c s LEU 177 N -0.95 4.10 -0.18 -1.34 2.96 -0.28 -2.99 118.68 120.00 3h1c s LEU 177 Ca 0.22 0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 54.69 3h1c s LEU 177 Cb -0.13 -2.66 -0.00 0.00 0.50 0.00 0.00 46.19 43.90 3h1c s LEU 177 CO -0.10 -0.22 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.90 3h1c s VAL 178 N 1.94 2.79 -0.02 1.68 1.01 -0.78 0.23 120.40 127.25 3h1c s VAL 178 Ca 0.22 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3h1c s VAL 178 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3h1c s VAL 178 CO 0.09 0.49 -0.14 0.54 0.00 0.00 0.00 175.10 176.08 3h1c s VAL 179 N 1.05 1.14 0.01 2.92 0.11 -0.77 -1.12 120.40 123.74 3h1c s VAL 179 Ca -0.01 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.49 3h1c s VAL 179 Cb -0.15 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 3h1c s VAL 179 CO -0.03 0.33 -0.12 0.00 -3.33 0.00 0.00 175.10 171.94 3h1c s ALA 180 N -0.19 1.03 -0.24 1.54 0.00 0.22 -2.50 121.76 121.62 3h1c s ALA 180 Ca 0.03 -0.61 -0.36 0.00 0.00 0.00 0.00 51.96 51.01 3h1c s ALA 180 Cb -0.07 -0.22 0.15 0.00 0.00 0.00 0.00 23.12 22.98 3h1c s ALA 180 CO 0.00 0.23 1.29 0.20 0.00 0.00 0.00 175.76 177.48 3h1c s GLY 181 N -0.57 -0.23 0.71 0.00 0.00 -1.15 -0.28 107.32 105.80 3h1c s GLY 181 Ca 0.03 1.83 -0.12 0.00 0.00 0.00 0.00 44.72 46.46 3h1c s GLY 181 CO 0.00 0.63 0.91 -0.37 0.00 0.00 0.00 173.10 174.26 3h1c n THR 182 N 0.00 0.00 -0.11 0.90 5.66 0.05 -0.65 114.28 120.13 3h1c n THR 182 Ca 0.02 -0.64 0.01 0.00 -3.05 0.00 0.00 64.05 60.40 3h1c n THR 182 Cb 0.57 -1.59 0.31 0.00 -1.55 0.00 0.00 70.33 68.07 3h1c n THR 182 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3h1c h GLU 183 N 0.00 0.77 0.01 1.09 4.81 -1.93 -3.26 114.58 116.08 3h1c h GLU 183 Ca -0.30 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3h1c h GLU 183 Cb 0.83 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3h1c h GLU 183 CO 0.21 0.55 -0.00 0.00 -0.73 0.00 0.00 179.01 179.03 3h1c h ALA 184 N 1.58 -0.01 -2.82 2.92 0.00 -1.94 -3.50 119.26 115.50 3h1c h ALA 184 Ca 0.21 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3h1c h ALA 184 Cb -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 3h1c h ALA 184 CO -0.04 -0.03 -0.20 0.00 0.00 0.00 0.00 179.25 178.98 3h1c s ALA 185 N -2.44 0.20 0.57 0.00 0.00 -1.23 -5.06 121.76 113.80 3h1c s ALA 185 Ca -0.14 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 3h1c s ALA 185 Cb -0.02 1.13 -0.05 0.00 0.00 0.00 0.00 23.12 24.18 3h1c s ALA 185 CO 0.52 -0.80 1.06 0.08 0.00 0.00 0.00 175.76 176.61 3h1c s VAL 186 N -3.77 3.78 0.00 0.00 1.01 -1.26 -0.77 120.40 119.38 3h1c s VAL 186 Ca 0.27 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.15 3h1c s VAL 186 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3h1c s VAL 186 CO 0.12 -0.44 0.00 0.18 0.00 0.00 0.00 175.10 174.96 3h1c n LEU 187 N -1.81 1.07 -3.79 3.92 4.77 0.62 -4.79 117.00 116.99 3h1c n LEU 187 Ca 0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 3h1c n LEU 187 Cb 0.53 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 3h1c n LEU 187 CO 0.46 0.18 -0.23 -0.04 -1.33 0.00 0.00 177.39 176.42 3h1c s MET 188 N -1.41 0.12 -0.03 3.23 1.00 0.57 -2.29 119.30 120.48 3h1c s MET 188 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 55.69 55.97 3h1c s MET 188 Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 34.83 34.80 3h1c s MET 188 CO 0.00 -0.09 -0.06 0.08 0.00 0.00 0.00 175.02 174.95 3h1c s VAL 189 N 0.57 0.59 -0.11 -6.03 1.01 -0.73 0.72 120.40 116.42 3h1c s VAL 189 Ca -0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 3h1c s VAL 189 Cb -0.06 -0.57 0.06 0.00 0.00 0.00 0.00 36.38 35.81 3h1c s VAL 189 CO -0.03 0.21 0.15 -0.70 0.00 0.00 0.00 175.10 174.74 3h1c s GLU 190 N 0.53 0.05 0.09 2.72 2.56 -0.28 -1.43 118.70 122.95 3h1c s GLU 190 Ca -0.07 0.40 -0.13 0.00 0.00 0.00 0.00 54.97 55.17 3h1c s GLU 190 Cb -0.11 -0.67 0.02 0.00 2.00 0.00 0.00 34.13 35.37 3h1c s GLU 190 CO 0.00 -0.42 0.30 -1.54 -0.56 0.00 0.00 175.26 173.04 3h1c s SER 191 N 2.27 -0.08 0.01 -1.70 1.04 -0.77 -1.87 113.70 112.60 3h1c s SER 191 Ca 0.04 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.09 3h1c s SER 191 Cb -0.13 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 3h1c s SER 191 CO -0.07 -0.74 -0.06 -1.83 0.98 0.00 0.00 173.24 171.51 3h1c s GLU 192 N -3.48 0.49 0.23 4.02 -1.05 -1.16 -2.99 118.70 114.76 3h1c s GLU 192 Ca 0.01 -0.35 -0.12 0.00 -0.15 0.00 0.00 54.97 54.37 3h1c s GLU 192 Cb 0.02 -0.42 -0.00 0.00 -0.44 0.00 0.00 34.13 33.29 3h1c s GLU 192 CO -0.09 0.11 0.44 0.00 0.95 0.00 0.00 175.26 176.66 3h1c s ALA 193 N -0.45 -0.18 0.00 -0.84 0.00 0.57 -0.91 121.76 119.95 3h1c s ALA 193 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3h1c s ALA 193 Cb -0.04 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.13 3h1c s ALA 193 CO -0.00 -0.81 0.12 1.04 0.00 0.00 0.00 175.76 176.11 3h1c n GLN 194 N -0.35 0.00 -3.22 0.00 6.02 -1.18 -4.36 117.38 114.29 3h1c n GLN 194 Ca -0.03 0.20 -0.01 0.00 -0.01 0.00 0.00 57.00 57.15 3h1c n GLN 194 Cb 0.62 -0.79 -0.02 0.00 1.02 0.00 0.00 30.24 31.07 3h1c n GLN 194 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3h1c s LEU 195 N -2.21 -1.30 0.17 1.08 1.02 -1.26 -4.34 118.68 111.85 3h1c s LEU 195 Ca 0.00 -0.35 0.09 0.00 0.02 0.00 0.00 54.13 53.89 3h1c s LEU 195 Cb 0.00 1.70 -0.04 0.00 0.02 0.00 0.00 46.19 47.86 3h1c s LEU 195 CO 0.00 -0.27 -0.18 -0.76 0.02 0.00 0.00 176.35 175.15 3h1c s LEU 196 N 2.38 2.45 0.87 1.79 1.43 -1.25 -4.83 118.68 121.53 3h1c s LEU 196 Ca 0.12 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 3h1c s LEU 196 Cb -0.09 -0.85 0.11 0.00 0.03 0.00 0.00 46.19 45.39 3h1c s LEU 196 CO -0.20 -0.03 1.10 -0.44 0.23 0.00 0.00 176.35 177.00 3h1c s SER 197 N -2.75 3.79 0.33 2.29 0.01 -1.26 -2.88 113.70 113.22 3h1c s SER 197 Ca 0.17 1.38 0.04 0.00 1.31 0.00 0.00 55.95 58.86 3h1c s SER 197 Cb -0.05 -2.08 0.57 0.00 0.21 0.00 0.00 66.02 64.67 3h1c s SER 197 CO 0.07 -2.42 1.83 -0.33 0.41 0.00 0.00 173.24 172.80 3h1c h GLU 198 N -1.40 0.47 -0.00 12.44 5.08 -1.98 0.10 114.58 129.29 3h1c h GLU 198 Ca -0.49 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 57.59 3h1c h GLU 198 Cb 1.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3h1c h GLU 198 CO 0.57 0.57 -0.75 -0.44 -1.00 0.00 0.00 179.01 177.96 3h1c h ASP 199 N 0.44 0.02 0.45 1.42 3.32 -1.98 -2.62 116.42 117.47 3h1c h ASP 199 Ca 0.09 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.86 3h1c h ASP 199 Cb 0.44 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.99 3h1c h ASP 199 CO 0.02 0.76 -1.17 1.56 -1.72 0.00 0.00 179.24 178.70 3h1c h GLN 200 N 0.01 0.38 -0.05 3.56 4.20 -1.79 -1.53 115.11 119.89 3h1c h GLN 200 Ca -0.01 -0.54 -0.20 0.00 0.06 0.00 0.00 58.65 57.96 3h1c h GLN 200 Cb 1.33 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 29.29 3h1c h GLN 200 CO 0.10 1.22 -0.81 1.98 -0.67 0.00 0.00 178.83 180.65 3h1c h MET 201 N 0.15 0.43 0.01 1.46 4.05 -0.88 -3.02 114.93 117.13 3h1c h MET 201 Ca -0.13 -0.39 -0.22 0.00 -0.28 0.00 0.00 59.70 58.67 3h1c h MET 201 Cb 1.86 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.75 3h1c h MET 201 CO 0.20 1.04 -0.95 1.25 0.23 0.00 0.00 176.91 178.68 3h1c h LEU 202 N 0.28 0.49 -1.71 3.39 6.46 -1.56 -3.29 115.31 119.38 3h1c h LEU 202 Ca -0.05 -0.40 -0.03 0.00 -0.12 0.00 0.00 57.88 57.27 3h1c h LEU 202 Cb 1.41 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.18 3h1c h LEU 202 CO 0.14 1.21 -0.17 1.23 -0.62 0.00 0.00 178.44 180.23 3h1c h GLY 203 N 1.32 0.00 1.85 3.75 0.00 -1.27 -2.31 103.07 106.41 3h1c h GLY 203 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 3h1c h GLY 203 CO 0.16 0.00 -0.61 0.00 0.00 0.00 0.00 176.54 176.09 3h1c h ALA 204 N 1.83 0.89 -0.21 3.60 0.00 -1.59 -2.10 119.26 121.68 3h1c h ALA 204 Ca -0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 3h1c h ALA 204 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h1c h ALA 204 CO 0.02 0.74 -0.37 0.28 0.00 0.00 0.00 179.25 179.93 3h1c h VAL 205 N 0.12 1.33 -0.34 0.00 2.07 -1.52 -2.60 116.25 115.30 3h1c h VAL 205 Ca -0.01 -1.59 -0.14 0.00 0.82 0.00 0.00 66.70 65.78 3h1c h VAL 205 Cb 1.11 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 3h1c h VAL 205 CO 0.09 0.49 -0.36 0.58 0.02 0.00 0.00 177.57 178.40 3h1c h VAL 206 N 0.30 1.28 -0.63 2.57 2.07 -1.50 -1.91 116.25 118.43 3h1c h VAL 206 Ca 0.01 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 65.98 3h1c h VAL 206 Cb 0.96 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 3h1c h VAL 206 CO 0.08 0.50 0.27 0.15 0.02 0.00 0.00 177.57 178.59 3h1c h PHE 207 N 0.65 0.93 -0.21 1.57 3.57 -1.41 -1.89 116.94 120.16 3h1c h PHE 207 Ca 0.06 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 3h1c h PHE 207 Cb 0.91 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3h1c h PHE 207 CO 0.05 0.73 -0.53 0.78 -2.23 0.00 0.00 178.31 177.10 3h1c h GLY 208 N 0.87 0.67 1.96 2.40 0.00 -1.40 -2.36 103.07 105.21 3h1c h GLY 208 Ca 0.21 -0.77 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 3h1c h GLY 208 CO -0.02 0.69 -0.42 0.84 0.00 0.00 0.00 176.54 177.64 3h1c h HIS 209 N 0.48 0.06 0.00 5.60 -0.00 -1.23 -2.25 115.15 117.80 3h1c h HIS 209 Ca 0.01 -0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 60.19 3h1c h HIS 209 Cb 1.09 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.46 3h1c h HIS 209 CO 0.05 0.46 -1.03 1.49 -0.00 0.00 0.00 177.93 178.90 3h1c h GLU 210 N 0.04 0.00 0.00 5.26 4.81 -1.30 -3.33 114.58 120.07 3h1c h GLU 210 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3h1c h GLU 210 Cb 0.76 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3h1c h GLU 210 CO 0.06 0.58 -0.59 1.96 -0.73 0.00 0.00 179.01 180.29 3h1c h GLN 211 N 0.00 0.00 -0.03 1.92 1.08 -1.33 -3.28 115.11 113.47 3h1c h GLN 211 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3h1c h GLN 211 Cb 1.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.06 3h1c h GLN 211 CO 0.08 0.21 0.00 1.04 -0.95 0.00 0.00 178.83 179.21 3h1c n GLN 212 N -3.03 1.36 0.21 1.46 1.13 -0.85 -4.01 117.38 113.65 3h1c n GLN 212 Ca 0.00 -0.53 0.08 0.00 -1.94 0.00 0.00 57.00 54.61 3h1c n GLN 212 Cb 0.65 -1.45 0.46 0.00 0.11 0.00 0.00 30.24 30.02 3h1c n GLN 212 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3h1c h GLN 213 N 1.23 0.00 0.00 -1.09 1.08 -1.68 -2.72 115.11 111.93 3h1c h GLN 213 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 3h1c h GLN 213 Cb 0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3h1c h GLN 213 CO 0.00 0.28 -0.42 -0.24 -0.95 0.00 0.00 178.83 177.50 3h1c h VAL 214 N 0.00 0.98 -0.29 -0.54 3.04 -1.84 -3.02 116.25 114.59 3h1c h VAL 214 Ca -0.00 -1.64 -0.18 0.00 -1.01 0.00 0.00 66.70 63.86 3h1c h VAL 214 Cb 0.68 1.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 3h1c h VAL 214 CO 0.04 0.41 -0.52 0.58 -1.01 0.00 0.00 177.57 177.07 3h1c h VAL 215 N 0.00 1.28 -0.07 1.51 2.07 -1.76 -3.14 116.25 116.14 3h1c h VAL 215 Ca -0.00 -1.71 0.03 0.00 0.82 0.00 0.00 66.70 65.84 3h1c h VAL 215 Cb 0.94 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 3h1c h VAL 215 CO 0.05 0.56 -0.09 0.40 0.02 0.00 0.00 177.57 178.51 3h1c h ILE 216 N 0.64 0.75 -0.21 4.57 1.08 -1.47 -2.64 117.51 120.23 3h1c h ILE 216 Ca 0.02 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.41 3h1c h ILE 216 Cb 1.13 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 3h1c h ILE 216 CO 0.12 0.00 -0.19 1.56 -0.69 0.00 0.00 178.15 178.95 3h1c h GLN 217 N -0.12 0.37 0.00 2.37 4.20 -1.61 -2.14 115.11 118.18 3h1c h GLN 217 Ca 0.06 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 3h1c h GLN 217 Cb 0.20 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3h1c h GLN 217 CO -0.14 0.55 -0.49 -0.91 -0.67 0.00 0.00 178.83 177.17 3h1c h ASN 218 N 0.34 0.00 -0.05 1.46 2.35 -1.48 -2.15 115.58 116.04 3h1c h ASN 218 Ca 0.06 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 3h1c h ASN 218 Cb 0.53 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.91 3h1c h ASN 218 CO 0.03 0.49 -0.55 0.40 -1.65 0.00 0.00 177.43 176.15 3h1c h ILE 219 N 0.00 1.40 -0.03 2.81 2.04 -1.12 -3.08 117.51 119.53 3h1c h ILE 219 Ca -0.00 -1.95 -0.04 0.00 1.00 0.00 0.00 64.86 63.86 3h1c h ILE 219 Cb 1.07 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 3h1c h ILE 219 CO 0.06 0.58 -0.19 0.78 0.00 0.00 0.00 178.15 179.38 3h1c h ASN 220 N 0.01 0.04 0.91 1.72 2.35 -1.37 -2.17 115.58 117.07 3h1c h ASN 220 Ca -0.05 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 3h1c h ASN 220 Cb 1.23 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 3h1c h ASN 220 CO 0.11 0.24 -0.47 -0.33 -1.65 0.00 0.00 177.43 175.33 3h1c h GLU 221 N 0.04 0.00 -0.03 0.81 4.39 -1.45 -2.65 114.58 115.70 3h1c h GLU 221 Ca 0.01 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.49 3h1c h GLU 221 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3h1c h GLU 221 CO 0.03 0.47 -0.90 1.25 -1.16 0.00 0.00 179.01 178.70 3h1c h LEU 222 N 0.00 0.58 -1.05 1.33 6.46 -1.31 -2.63 115.31 118.69 3h1c h LEU 222 Ca -0.00 -0.44 -0.10 0.00 -0.12 0.00 0.00 57.88 57.22 3h1c h LEU 222 Cb 1.05 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 3h1c h LEU 222 CO 0.06 1.23 -0.38 0.58 -0.62 0.00 0.00 178.44 179.31 3h1c h VAL 223 N 0.27 1.29 0.00 1.05 2.07 -1.43 -0.10 116.25 119.41 3h1c h VAL 223 Ca -0.07 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 3h1c h VAL 223 Cb 1.52 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 3h1c h VAL 223 CO 0.16 0.42 -0.50 0.50 0.02 0.00 0.00 177.57 178.17 3h1c h LYS 224 N 0.16 0.00 0.00 1.57 3.64 -1.40 -2.74 116.57 117.80 3h1c h LYS 224 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3h1c h LYS 224 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3h1c h LYS 224 CO 0.06 0.50 -0.27 0.39 -2.27 0.00 0.00 179.45 177.86 3h1c n GLU 225 N -3.84 0.24 -2.45 1.90 1.02 -1.00 -4.76 120.64 111.74 3h1c n GLU 225 Ca -0.01 0.39 -0.21 0.00 -0.02 0.00 0.00 57.16 57.31 3h1c n GLU 225 Cb 0.53 -1.24 0.01 0.00 -0.02 0.00 0.00 31.44 30.73 3h1c n GLU 225 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h1c n ALA 226 N -2.98 4.57 -2.85 0.62 0.00 -0.08 -5.07 120.51 114.73 3h1c n ALA 226 Ca -0.04 -3.89 -0.35 0.00 0.00 0.00 0.00 53.44 49.16 3h1c n ALA 226 Cb 0.14 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 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 -3.49 2.20 0.39 0.00 0.00 -1.03 -4.85 107.32 100.53 3h1c s GLY 227 Ca 0.43 -0.65 -0.24 0.00 0.00 0.00 0.00 44.72 44.26 3h1c s GLY 227 CO -0.09 -0.45 1.01 0.54 0.00 0.00 0.00 173.10 174.10 3h1c s LYS 228 N -1.49 4.28 0.22 2.90 1.02 -1.21 -4.97 119.74 120.49 3h1c s LYS 228 Ca 0.22 1.40 -0.31 0.00 0.02 0.00 0.00 55.97 57.30 3h1c s LYS 228 Cb -0.13 -2.55 -0.15 0.00 -0.52 0.00 0.00 37.83 34.49 3h1c s LYS 228 CO 0.12 -0.02 1.18 -0.35 -0.92 0.00 0.00 175.35 175.36 3h1c n PRO 229 N -0.01 1.44 -1.68 -1.68 -0.04 -1.26 -4.51 135.00 127.26 3h1c n PRO 229 Ca 0.05 0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 63.59 3h1c n PRO 229 Cb 0.50 -2.01 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3h1c n PRO 229 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3h1c s ARG 230 N -0.76 4.12 0.74 0.54 3.03 -1.26 -4.56 118.95 120.81 3h1c s ARG 230 Ca 0.67 2.59 -0.17 0.00 2.03 0.00 0.00 55.73 60.85 3h1c s ARG 230 Cb -0.76 -4.16 -0.13 0.00 -1.03 0.00 0.00 34.95 28.87 3h1c s ARG 230 CO 0.54 -0.98 -0.31 0.91 -1.13 0.00 0.00 175.30 174.33 3h1c n TRP 231 N 7.63 -3.56 -3.80 5.89 7.02 0.80 -4.88 117.44 126.53 3h1c n TRP 231 Ca 0.20 0.24 -0.36 0.00 -1.02 0.00 0.00 57.50 56.56 3h1c n TRP 231 Cb 0.41 -1.61 -0.13 0.00 -2.42 0.00 0.00 31.31 27.56 3h1c n TRP 231 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h1c s ASP 232 N -1.08 4.89 -0.18 -0.99 2.15 -1.26 -4.85 116.67 115.36 3h1c s ASP 232 Ca 0.51 -0.33 -0.22 0.00 0.43 0.00 0.00 52.55 52.95 3h1c s ASP 232 Cb -0.35 -1.87 0.06 0.00 -0.30 0.00 0.00 42.92 40.47 3h1c s ASP 232 CO 0.72 -0.05 0.58 0.86 -0.17 0.00 0.00 175.17 177.11 3h1c s TRP 233 N 1.56 -0.61 -0.04 -5.34 -0.00 -1.26 -5.15 118.94 108.10 3h1c s TRP 233 Ca 0.06 1.40 0.05 0.00 -0.00 0.00 0.00 56.10 57.60 3h1c s TRP 233 Cb -0.15 0.24 -0.01 0.00 -0.00 0.00 0.00 33.47 33.56 3h1c s TRP 233 CO 0.01 -0.37 -0.17 -0.65 -0.00 0.00 0.00 176.95 175.77 3h1c s GLN 234 N -0.07 1.71 0.63 5.86 -1.52 -1.26 -5.13 119.66 119.87 3h1c s GLN 234 Ca -0.03 -0.62 -0.17 0.00 -1.95 0.00 0.00 55.36 52.59 3h1c s GLN 234 Cb -0.04 -1.52 -0.02 0.00 -0.22 0.00 0.00 33.01 31.22 3h1c s GLN 234 CO 0.03 0.27 1.19 -1.25 -0.25 0.00 0.00 175.29 175.28 3h1c s PRO 235 N -0.06 2.80 0.06 2.91 0.04 -1.26 -4.92 135.00 134.56 3h1c s PRO 235 Ca -0.01 1.73 -0.33 0.00 0.04 0.00 0.00 61.00 62.43 3h1c s PRO 235 Cb -0.10 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 3h1c s PRO 235 CO 0.02 -1.32 1.82 0.39 0.04 0.00 0.00 177.00 177.94 3h1c n GLU 236 N -1.93 2.49 -1.70 4.56 -0.58 -1.26 -4.88 120.64 117.34 3h1c n GLU 236 Ca 0.13 0.91 -0.44 0.00 -0.42 0.00 0.00 57.16 57.34 3h1c n GLU 236 Cb 0.50 -2.77 -0.02 0.00 -0.57 0.00 0.00 31.44 28.58 3h1c n GLU 236 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3h1c n PRO 237 N 5.72 2.27 -2.12 3.49 -0.04 -1.26 -4.90 135.00 138.15 3h1c n PRO 237 Ca 0.19 0.81 -0.42 0.00 -0.04 0.00 0.00 63.50 64.04 3h1c n PRO 237 Cb 0.34 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.27 3h1c n PRO 237 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h1c s VAL 238 N -0.13 3.74 -0.58 0.52 0.11 -1.26 -4.97 120.40 117.82 3h1c s VAL 238 Ca 0.66 0.93 -0.19 0.00 -2.93 0.00 0.00 61.98 60.46 3h1c s VAL 238 Cb -0.59 -3.60 0.10 0.00 -1.53 0.00 0.00 36.38 30.76 3h1c s VAL 238 CO 0.50 -0.07 0.67 0.21 -3.33 0.00 0.00 175.10 173.08 3h1c s ASN 239 N 2.83 6.19 0.39 3.54 2.47 -1.26 -4.92 114.94 124.17 3h1c s ASN 239 Ca 0.68 -1.44 0.18 0.00 0.42 0.00 0.00 52.86 52.70 3h1c s ASN 239 Cb -0.31 -2.29 0.77 0.00 -1.45 0.00 0.00 41.25 37.97 3h1c s ASN 239 CO 0.26 -1.06 1.79 -0.08 -3.72 0.00 0.00 177.10 174.28 3h1c h GLU 240 N 9.13 0.00 -0.01 0.43 4.81 -1.99 -2.32 114.58 124.63 3h1c h GLU 240 Ca -0.29 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 3h1c h GLU 240 Cb 1.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3h1c h GLU 240 CO 1.08 0.36 -0.37 0.00 -0.73 0.00 0.00 179.01 179.35 3h1c h ALA 241 N 1.64 1.37 0.00 2.92 0.00 -2.01 -3.15 119.26 120.02 3h1c h ALA 241 Ca -0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 3h1c h ALA 241 Cb 0.79 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3h1c h ALA 241 CO 0.05 0.47 -1.99 1.28 0.00 0.00 0.00 179.25 179.06 3h1c n LEU 242 N -4.10 0.27 -0.25 0.00 4.77 -1.14 -3.80 117.00 112.75 3h1c n LEU 242 Ca -0.02 0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 3h1c n LEU 242 Cb 0.41 0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.78 3h1c n LEU 242 CO 0.39 0.27 1.00 0.78 -1.33 0.00 0.00 177.39 178.50 3h1c h ASN 243 N 0.00 0.96 1.74 -1.43 4.21 -1.41 -1.80 115.58 117.85 3h1c h ASN 243 Ca -0.29 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.02 3h1c h ASN 243 Cb 1.73 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 38.68 3h1c h ASN 243 CO 0.03 0.88 -0.26 0.00 -1.29 0.00 0.00 177.43 176.79 3h1c h ALA 244 N 1.11 0.87 -0.23 -0.83 0.00 -1.76 -3.01 119.26 115.41 3h1c h ALA 244 Ca 0.23 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3h1c h ALA 244 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3h1c h ALA 244 CO -0.02 0.10 -0.43 -0.09 0.00 0.00 0.00 179.25 178.82 3h1c h ARG 245 N 0.00 0.70 -0.04 0.00 2.43 -1.57 -2.44 114.38 113.45 3h1c h ARG 245 Ca -0.00 -0.44 -0.24 0.00 -0.81 0.00 0.00 59.98 58.49 3h1c h ARG 245 Cb 1.06 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3h1c h ARG 245 CO 0.01 1.06 -0.93 0.28 -1.51 0.00 0.00 179.97 178.88 3h1c h VAL 246 N 0.41 1.32 -0.04 0.20 2.07 -1.44 -3.27 116.25 115.50 3h1c h VAL 246 Ca 0.01 -2.22 -0.04 0.00 0.82 0.00 0.00 66.70 65.27 3h1c h VAL 246 Cb 1.03 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 3h1c h VAL 246 CO 0.10 0.68 -0.16 0.00 0.02 0.00 0.00 177.57 178.21 3h1c h ALA 247 N 0.58 1.67 0.00 1.67 0.00 -1.56 0.25 119.26 121.87 3h1c h ALA 247 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3h1c h ALA 247 Cb 1.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3h1c h ALA 247 CO 0.18 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3h1c n ALA 248 N -2.50 2.01 0.00 0.00 0.00 -0.92 -2.29 120.51 116.80 3h1c n ALA 248 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3h1c n ALA 248 Cb 0.24 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3h1c n ALA 248 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h1c n LEU 249 N -1.33 0.00 -0.07 0.00 4.77 -0.59 -4.91 117.00 114.86 3h1c n LEU 249 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3h1c n LEU 249 Cb 0.17 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3h1c n LEU 249 CO 0.16 0.00 -0.97 0.00 -1.33 0.00 0.00 177.39 175.25 3h1c n ALA 250 N -1.84 1.79 -0.11 -1.18 0.00 0.78 -4.53 120.51 115.42 3h1c n ALA 250 Ca 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 53.44 52.92 3h1c n ALA 250 Cb 0.44 0.21 0.41 0.00 0.00 0.00 0.00 19.45 20.51 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 -0.13 0.60 -0.01 0.00 4.81 -1.61 0.22 114.58 118.45 3h1c h GLU 251 Ca -0.33 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.70 3h1c h GLU 251 Cb 1.44 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 3h1c h GLU 251 CO -0.09 0.40 -0.77 0.00 -0.73 0.00 0.00 179.01 177.81 3h1c h ALA 252 N 1.66 0.67 0.00 2.92 0.00 -1.84 -3.01 119.26 119.66 3h1c h ALA 252 Ca 0.27 -0.67 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 3h1c h ALA 252 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3h1c h ALA 252 CO -0.08 0.88 -1.33 0.00 0.00 0.00 0.00 179.25 178.72 3h1c h ARG 253 N 0.09 0.00 0.00 0.00 3.08 -1.50 -3.34 114.38 112.70 3h1c h ARG 253 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3h1c h ARG 253 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 3h1c h ARG 253 CO 0.11 0.37 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.00 3h1c h LEU 254 N 0.00 0.00 -0.79 3.04 3.38 -0.70 -3.12 115.31 117.13 3h1c h LEU 254 Ca -0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3h1c h LEU 254 Cb 1.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 3h1c h LEU 254 CO 0.06 0.31 -0.12 -1.28 0.09 0.00 0.00 178.44 177.49 3h1c h SER 255 N 0.00 0.78 1.76 -0.43 0.87 -1.64 -2.46 113.55 112.42 3h1c h SER 255 Ca -0.00 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 3h1c h SER 255 Cb 1.20 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.95 3h1c h SER 255 CO 0.04 0.92 -0.24 0.44 -0.53 0.00 0.00 176.83 177.45 3h1c h ASP 256 N 0.71 0.00 0.40 6.23 3.32 -1.72 -3.33 116.42 122.03 3h1c h ASP 256 Ca 0.12 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 3h1c h ASP 256 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3h1c h ASP 256 CO 0.04 0.12 -0.77 0.00 -1.72 0.00 0.00 179.24 176.92 3h1c h ALA 257 N 1.88 0.61 -0.30 3.45 0.00 -1.41 -3.19 119.26 120.31 3h1c h ALA 257 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3h1c h ALA 257 Cb 1.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3h1c h ALA 257 CO 0.02 0.81 0.00 0.66 0.00 0.00 0.00 179.25 180.74 3h1c n TYR 258 N -3.78 0.39 1.00 0.00 4.01 -0.96 -3.40 117.16 114.42 3h1c n TYR 258 Ca -0.04 -0.20 0.10 0.00 -0.16 0.00 0.00 57.90 57.61 3h1c n TYR 258 Cb 0.73 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.68 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 0.43 0.47 -2.15 -0.72 0.63 -1.20 -4.47 116.66 109.66 3h1c n ARG 259 Ca 0.12 -0.38 -0.42 0.00 -0.92 0.00 0.00 57.85 56.25 3h1c n ARG 259 Cb 0.29 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 31.68 3h1c n ARG 259 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3h1c s ILE 260 N -2.80 3.24 0.06 5.15 1.01 -1.22 -4.80 121.20 121.85 3h1c s ILE 260 Ca 0.12 0.89 -0.19 0.00 0.00 0.00 0.00 60.65 61.47 3h1c s ILE 260 Cb 0.17 -3.57 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 3h1c s ILE 260 CO 0.76 0.07 1.40 0.74 0.00 0.00 0.00 174.94 177.90 3h1c h THR 261 N 4.24 1.32 -3.88 2.92 2.02 -1.88 -3.41 112.91 114.23 3h1c h THR 261 Ca -0.42 -1.24 -0.51 0.00 0.77 0.00 0.00 66.41 65.01 3h1c h THR 261 Cb 1.21 1.71 0.04 0.00 -1.74 0.00 0.00 68.15 69.37 3h1c h THR 261 CO 0.87 0.38 0.53 -0.62 0.37 0.00 0.00 175.52 177.04 3h1c s ASP 262 N -6.16 6.86 0.09 4.18 2.15 -1.26 -4.63 116.67 117.90 3h1c s ASP 262 Ca -0.14 2.41 -0.12 0.00 0.43 0.00 0.00 52.55 55.13 3h1c s ASP 262 Cb 0.06 -2.63 -0.19 0.00 -0.30 0.00 0.00 42.92 39.87 3h1c s ASP 262 CO 0.76 -0.44 1.23 0.50 -0.17 0.00 0.00 175.17 177.05 3h1c h LYS 263 N 3.25 0.66 -0.23 4.34 3.64 -2.00 -3.03 116.57 123.19 3h1c h LYS 263 Ca -0.48 -0.68 -0.08 0.00 -1.27 0.00 0.00 60.65 58.14 3h1c h LYS 263 Cb 1.22 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 3h1c h LYS 263 CO 0.65 1.27 -0.19 1.96 -2.27 0.00 0.00 179.45 180.87 3h1c h GLN 264 N 0.38 0.54 0.00 1.90 4.20 -1.99 -2.47 115.11 117.67 3h1c h GLN 264 Ca -0.11 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.25 3h1c h GLN 264 Cb 1.63 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.40 3h1c h GLN 264 CO 0.19 0.84 -0.39 0.93 -0.67 0.00 0.00 178.83 179.73 3h1c h GLU 265 N 0.24 0.00 -0.09 1.46 5.08 -1.99 -1.28 114.58 117.99 3h1c h GLU 265 Ca 0.04 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 3h1c h GLU 265 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 3h1c h GLU 265 CO 0.05 0.39 -0.48 -0.09 -1.00 0.00 0.00 179.01 177.89 3h1c h ARG 266 N 0.00 0.49 0.00 2.33 2.43 -1.53 -2.33 114.38 115.76 3h1c h ARG 266 Ca -0.00 -0.40 -0.08 0.00 -0.81 0.00 0.00 59.98 58.69 3h1c h ARG 266 Cb 0.84 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3h1c h ARG 266 CO 0.05 1.03 -0.38 1.88 -1.51 0.00 0.00 179.97 181.04 3h1c h TYR 267 N 0.07 0.00 -0.00 2.20 0.05 -1.32 -0.65 116.97 117.31 3h1c h TYR 267 Ca -0.03 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.52 3h1c h TYR 267 Cb 1.12 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.87 3h1c h TYR 267 CO 0.12 0.38 -0.95 0.00 -1.05 0.00 0.00 178.16 176.66 3h1c h ALA 268 N 1.62 0.34 0.04 3.88 0.00 -1.28 -3.26 119.26 120.60 3h1c h ALA 268 Ca -0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 54.91 53.95 3h1c h ALA 268 Cb 0.78 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.58 3h1c h ALA 268 CO 0.05 0.79 -1.00 0.37 0.00 0.00 0.00 179.25 179.47 3h1c h GLN 269 N 0.26 0.60 0.00 0.00 5.75 -1.24 -3.23 115.11 117.25 3h1c h GLN 269 Ca -0.08 -0.70 -0.02 0.00 -0.15 0.00 0.00 58.65 57.69 3h1c h GLN 269 Cb 1.59 0.21 -0.00 0.00 1.07 0.00 0.00 27.48 30.35 3h1c h GLN 269 CO 0.17 1.29 -0.08 -0.24 -2.65 0.00 0.00 178.83 177.32 3h1c h VAL 270 N 0.21 0.86 0.00 2.39 3.04 -1.24 -0.95 116.25 120.56 3h1c h VAL 270 Ca -0.14 -0.31 -0.16 0.00 -1.01 0.00 0.00 66.70 65.08 3h1c h VAL 270 Cb 1.68 1.18 -0.02 0.00 -2.01 0.00 0.00 31.29 32.11 3h1c h VAL 270 CO 0.19 0.08 -0.78 -0.78 -1.01 0.00 0.00 177.57 175.27 3h1c h ASP 271 N 0.00 0.00 -0.29 3.17 3.58 -1.63 -2.45 116.42 118.80 3h1c h ASP 271 Ca -0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 3h1c h ASP 271 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3h1c h ASP 271 CO 0.01 0.78 -0.13 0.58 -2.88 0.00 0.00 179.24 177.60 3h1c h VAL 272 N 0.00 1.29 -0.38 2.25 2.07 -1.21 -1.44 116.25 118.84 3h1c h VAL 272 Ca -0.01 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3h1c h VAL 272 Cb 1.42 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 3h1c h VAL 272 CO 0.10 0.39 0.20 0.40 0.02 0.00 0.00 177.57 178.68 3h1c h ILE 273 N 0.35 1.15 -0.75 4.57 5.03 -1.46 -1.05 117.51 125.35 3h1c h ILE 273 Ca 0.07 -0.42 0.05 0.00 -0.12 0.00 0.00 64.86 64.44 3h1c h ILE 273 Cb 0.65 0.74 -0.05 0.00 -3.03 0.00 0.00 36.82 35.13 3h1c h ILE 273 CO 0.04 0.16 0.46 0.11 -0.68 0.00 0.00 178.15 178.24 3h1c h LYS 274 N 0.48 0.84 0.03 2.37 1.57 -1.37 -1.76 116.57 118.72 3h1c h LYS 274 Ca 0.13 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.64 3h1c h LYS 274 Cb 0.08 -0.19 0.02 0.00 0.08 0.00 0.00 32.23 32.22 3h1c h LYS 274 CO -0.02 0.55 -0.88 0.77 -0.57 0.00 0.00 179.45 179.30 3h1c h SER 275 N 0.86 0.72 0.34 0.86 0.02 -1.14 -3.05 113.55 112.15 3h1c h SER 275 Ca 0.32 -0.78 -0.17 0.00 -0.84 0.00 0.00 61.79 60.31 3h1c h SER 275 Cb 0.10 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3h1c h SER 275 CO -0.15 1.41 -0.70 -0.33 -1.14 0.00 0.00 176.83 175.92 3h1c h GLU 276 N 0.10 0.32 -0.16 3.45 5.08 -1.15 -2.41 114.58 119.81 3h1c h GLU 276 Ca -0.12 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 57.82 3h1c h GLU 276 Cb 1.58 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.88 3h1c h GLU 276 CO 0.17 0.90 -0.53 1.15 -1.00 0.00 0.00 179.01 179.70 3h1c h THR 277 N 0.22 1.33 0.00 1.13 2.02 -1.44 -2.90 112.91 113.26 3h1c h THR 277 Ca -0.02 -1.79 -0.07 0.00 0.77 0.00 0.00 66.41 65.31 3h1c h THR 277 Cb 1.26 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 3h1c h THR 277 CO 0.11 0.55 -0.31 -0.29 0.37 0.00 0.00 175.52 175.95 3h1c h ILE 278 N 0.31 0.73 -0.01 3.11 2.10 -1.57 -2.31 117.51 119.87 3h1c h ILE 278 Ca -0.02 -1.38 -0.24 0.00 1.08 0.00 0.00 64.86 64.30 3h1c h ILE 278 Cb 1.16 1.89 0.01 0.00 -1.09 0.00 0.00 36.82 38.79 3h1c h ILE 278 CO 0.11 0.31 -0.96 0.00 -1.08 0.00 0.00 178.15 176.53 3h1c h ALA 279 N 1.69 0.29 -0.01 0.18 0.00 -1.46 -2.51 119.26 117.44 3h1c h ALA 279 Ca -0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 54.91 54.05 3h1c h ALA 279 Cb 0.86 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3h1c h ALA 279 CO 0.04 0.76 -0.76 1.79 0.00 0.00 0.00 179.25 181.08 3h1c h THR 280 N 0.31 1.50 -0.03 0.00 1.35 -1.42 -2.48 112.91 112.13 3h1c h THR 280 Ca -0.09 -2.48 -0.22 0.00 -0.55 0.00 0.00 66.41 63.07 3h1c h THR 280 Cb 1.60 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 70.37 3h1c h THR 280 CO 0.18 0.72 -0.90 -0.07 -0.25 0.00 0.00 175.52 175.20 3h1c h LEU 281 N 0.06 0.63 -0.11 3.87 3.38 -1.47 -3.20 115.31 118.47 3h1c h LEU 281 Ca -0.02 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3h1c h LEU 281 Cb 1.34 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3h1c h LEU 281 CO 0.11 1.26 0.00 -0.07 0.09 0.00 0.00 178.44 179.83 3h1c h LEU 282 N 0.30 0.00 -0.74 1.67 3.38 -1.49 -3.24 115.31 115.19 3h1c h LEU 282 Ca -0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 3h1c h LEU 282 Cb 1.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 3h1c h LEU 282 CO 0.16 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.26 3h1c h ALA 283 N 2.27 0.91 -0.05 1.53 0.00 -1.44 -3.21 119.26 119.28 3h1c h ALA 283 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 3h1c h ALA 283 Cb 0.81 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h1c h ALA 283 CO 0.00 0.64 -0.28 0.93 0.00 0.00 0.00 179.25 180.53 3h1c h GLU 284 N 0.37 0.28 -2.84 0.00 5.08 -1.63 -3.46 114.58 112.38 3h1c h GLU 284 Ca 0.03 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 3h1c h GLU 284 Cb 0.90 0.05 -0.28 0.00 0.50 0.00 0.00 28.75 29.92 3h1c h GLU 284 CO 0.08 0.89 -0.40 -0.51 -1.00 0.00 0.00 179.01 178.07 3h1c s ASP 285 N -6.33 -0.37 0.00 1.42 1.01 -1.22 -5.04 116.67 106.15 3h1c s ASP 285 Ca -0.15 0.70 0.27 0.00 0.71 0.00 0.00 52.55 54.08 3h1c s ASP 285 Cb 0.03 0.59 0.93 0.00 1.01 0.00 0.00 42.92 45.48 3h1c s ASP 285 CO 0.76 -0.18 1.67 -0.62 0.21 0.00 0.00 175.17 177.01 3h1c n GLU 286 N 4.28 0.89 0.25 8.23 1.02 -1.22 -4.04 120.64 130.06 3h1c n GLU 286 Ca -0.24 -0.47 0.14 0.00 -0.02 0.00 0.00 57.16 56.58 3h1c n GLU 286 Cb 0.54 -1.49 0.56 0.00 -0.02 0.00 0.00 31.44 31.03 3h1c n GLU 286 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3h1c h THR 287 N 1.14 0.19 -3.90 2.62 1.35 -1.96 -3.45 112.91 108.90 3h1c h THR 287 Ca 0.00 -0.76 -0.51 0.00 -0.55 0.00 0.00 66.41 64.59 3h1c h THR 287 Cb 0.46 1.64 0.05 0.00 -1.73 0.00 0.00 68.15 68.57 3h1c h THR 287 CO 0.00 0.07 0.53 -0.76 -0.25 0.00 0.00 175.52 175.12 3h1c s LEU 288 N -6.38 4.32 0.28 3.87 1.43 -1.26 -5.01 118.68 115.93 3h1c s LEU 288 Ca 0.01 2.42 -0.29 0.00 -1.03 0.00 0.00 54.13 55.24 3h1c s LEU 288 Cb 0.09 -3.85 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 3h1c s LEU 288 CO 0.59 -0.54 1.04 -0.62 0.23 0.00 0.00 176.35 177.05 3h1c s ASP 289 N -0.93 7.33 0.14 2.29 2.15 -1.26 -4.97 116.67 121.43 3h1c s ASP 289 Ca 0.53 2.13 -0.06 0.00 0.43 0.00 0.00 52.55 55.57 3h1c s ASP 289 Cb -0.33 -2.62 -0.04 0.00 -0.30 0.00 0.00 42.92 39.64 3h1c s ASP 289 CO 0.43 -0.08 1.38 -0.08 -0.17 0.00 0.00 175.17 176.64 3h1c h GLU 290 N 3.75 0.57 0.00 4.34 4.81 -1.95 -3.14 114.58 122.96 3h1c h GLU 290 Ca -0.46 -0.47 -0.11 0.00 -0.13 0.00 0.00 59.36 58.18 3h1c h GLU 290 Cb 1.21 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 3h1c h GLU 290 CO 0.67 1.10 -0.53 -0.91 -0.73 0.00 0.00 179.01 178.61 3h1c h ASN 291 N 0.39 0.00 -0.28 1.04 2.35 -1.99 -3.02 115.58 114.07 3h1c h ASN 291 Ca -0.04 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.53 3h1c h ASN 291 Cb 1.36 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.73 3h1c h ASN 291 CO 0.14 0.53 -0.50 -0.33 -1.65 0.00 0.00 177.43 175.62 3h1c h GLU 292 N 0.00 0.86 -0.00 0.81 5.08 -1.97 -2.84 114.58 116.52 3h1c h GLU 292 Ca -0.01 -0.52 -0.12 0.00 -1.00 0.00 0.00 59.36 57.72 3h1c h GLU 292 Cb 1.14 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3h1c h GLU 292 CO 0.07 1.15 -0.58 -0.07 -1.00 0.00 0.00 179.01 178.58 3h1c h LEU 293 N 0.67 0.01 -1.02 1.33 3.38 -1.57 -2.98 115.31 115.13 3h1c h LEU 293 Ca 0.03 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3h1c h LEU 293 Cb 1.10 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3h1c h LEU 293 CO 0.11 0.59 -0.46 1.23 0.09 0.00 0.00 178.44 180.00 3h1c h GLY 294 N 1.72 0.00 1.66 0.83 0.00 -1.48 -2.09 103.07 103.72 3h1c h GLY 294 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3h1c h GLY 294 CO 0.08 0.00 -0.68 -2.09 0.00 0.00 0.00 176.54 173.85 3h1c h GLU 295 N 0.00 0.34 -0.31 4.80 4.81 -1.36 -2.34 114.58 120.52 3h1c h GLU 295 Ca -0.00 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 3h1c h GLU 295 Cb 0.87 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3h1c h GLU 295 CO 0.06 0.89 -0.28 0.82 -0.73 0.00 0.00 179.01 179.78 3h1c h ILE 296 N 0.24 1.30 -0.73 2.32 2.04 -1.39 -2.37 117.51 118.92 3h1c h ILE 296 Ca -0.02 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 3h1c h ILE 296 Cb 1.23 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 3h1c h ILE 296 CO 0.11 0.46 0.42 -0.07 0.00 0.00 0.00 178.15 179.07 3h1c h LEU 297 N 0.49 0.89 -0.92 1.44 3.38 -1.36 -2.24 115.31 116.98 3h1c h LEU 297 Ca 0.05 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3h1c h LEU 297 Cb 0.84 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3h1c h LEU 297 CO 0.07 0.70 -0.48 -0.74 0.09 0.00 0.00 178.44 178.08 3h1c h HIS 298 N 1.01 0.17 -0.35 1.13 2.76 -1.37 -1.94 115.15 116.57 3h1c h HIS 298 Ca 0.26 -0.05 -0.14 0.00 -2.20 0.00 0.00 60.37 58.24 3h1c h HIS 298 Cb -0.01 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 3h1c h HIS 298 CO 0.01 0.60 -0.33 0.00 -1.30 0.00 0.00 177.93 176.90 3h1c h ALA 299 N 1.39 0.77 -0.09 5.26 0.00 -0.87 -1.95 119.26 123.77 3h1c h ALA 299 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 3h1c h ALA 299 Cb 0.89 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3h1c h ALA 299 CO 0.07 0.65 -0.53 0.82 0.00 0.00 0.00 179.25 180.27 3h1c h ILE 300 N 0.65 1.37 -0.50 0.00 5.03 -1.41 -2.48 117.51 120.16 3h1c h ILE 300 Ca 0.07 -1.86 0.06 0.00 -0.12 0.00 0.00 64.86 63.00 3h1c h ILE 300 Cb 0.87 2.23 -0.03 0.00 -3.03 0.00 0.00 36.82 36.86 3h1c h ILE 300 CO 0.08 0.56 0.33 -0.33 -0.68 0.00 0.00 178.15 178.11 3h1c h GLU 301 N 0.11 0.44 -0.04 2.37 5.08 -1.33 -0.02 114.58 121.19 3h1c h GLU 301 Ca -0.04 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.04 3h1c h GLU 301 Cb 1.18 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.35 3h1c h GLU 301 CO 0.11 0.29 -0.97 -0.22 -1.00 0.00 0.00 179.01 177.22 3h1c h LYS 302 N 0.45 0.73 -0.18 2.33 3.64 -1.38 -3.28 116.57 118.88 3h1c h LYS 302 Ca 0.21 -0.73 -0.11 0.00 -1.27 0.00 0.00 60.65 58.75 3h1c h LYS 302 Cb 0.27 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3h1c h LYS 302 CO -0.06 1.31 -0.38 -0.97 -2.27 0.00 0.00 179.45 177.08 3h1c h ASN 303 N 0.42 0.41 -0.34 4.20 -1.24 -0.82 -2.43 115.58 115.78 3h1c h ASN 303 Ca -0.11 -0.17 -0.07 0.00 0.71 0.00 0.00 56.30 56.66 3h1c h ASN 303 Cb 1.62 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.54 3h1c h ASN 303 CO 0.19 0.76 -0.05 0.58 -1.29 0.00 0.00 177.43 177.62 3h1c h VAL 304 N 0.33 1.27 -0.24 2.57 2.07 -1.15 -2.43 116.25 118.68 3h1c h VAL 304 Ca 0.03 -1.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 3h1c h VAL 304 Cb 0.83 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3h1c h VAL 304 CO 0.07 0.35 -0.29 0.58 0.02 0.00 0.00 177.57 178.30 3h1c h VAL 305 N 0.43 1.32 -0.64 2.57 2.07 -1.61 -2.97 116.25 117.42 3h1c h VAL 305 Ca 0.09 -1.48 -0.09 0.00 0.82 0.00 0.00 66.70 66.04 3h1c h VAL 305 Cb 0.53 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3h1c h VAL 305 CO 0.03 0.46 0.06 0.03 0.02 0.00 0.00 177.57 178.17 3h1c h ARG 306 N 0.32 1.09 0.00 1.57 3.08 -1.47 -2.85 114.38 116.12 3h1c h ARG 306 Ca 0.03 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 3h1c h ARG 306 Cb 0.87 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 3h1c h ARG 306 CO 0.07 1.02 -0.11 0.77 -1.07 0.00 0.00 179.97 180.66 3h1c h SER 307 N 1.01 0.00 -0.08 7.04 0.02 -1.51 -2.75 113.55 117.28 3h1c h SER 307 Ca 0.19 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.91 3h1c h SER 307 Cb 0.49 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.04 3h1c h SER 307 CO 0.02 0.11 -0.82 -0.09 -1.14 0.00 0.00 176.83 174.91 3h1c h ARG 308 N 0.00 0.74 -0.02 3.45 2.43 -1.33 -3.17 114.38 116.49 3h1c h ARG 308 Ca -0.00 -0.64 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 3h1c h ARG 308 Cb 0.83 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3h1c h ARG 308 CO 0.01 1.24 -0.07 1.33 -1.51 0.00 0.00 179.97 180.98 3h1c n VAL 309 N -3.91 0.00 -0.86 0.20 0.24 -1.16 -2.43 118.33 110.41 3h1c n VAL 309 Ca -0.08 -0.27 0.08 0.00 -2.04 0.00 0.00 64.34 62.03 3h1c n VAL 309 Cb 0.77 0.69 0.39 0.00 -1.47 0.00 0.00 33.84 34.22 3h1c n VAL 309 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3h1c n LEU 310 N 0.22 5.51 0.00 1.34 -0.00 -1.04 -4.67 117.00 118.36 3h1c n LEU 310 Ca 0.16 -2.85 0.00 0.00 -0.00 0.00 0.00 56.01 53.33 3h1c n LEU 310 Cb 0.40 -0.66 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 3h1c n LEU 310 CO 0.18 0.67 0.00 0.00 -0.00 0.00 0.00 177.39 178.24 3h1c n ALA 311 N 0.68 2.13 -3.61 1.96 0.00 -1.25 -5.02 120.51 115.41 3h1c n ALA 311 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 3h1c n ALA 311 Cb 1.14 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.57 3h1c n ALA 311 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h1c s GLY 312 N -2.14 -0.35 0.00 0.00 0.00 -1.26 -5.17 107.32 98.40 3h1c s GLY 312 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.89 3h1c s GLY 312 CO 0.00 0.34 0.00 1.18 0.00 0.00 0.00 173.10 174.62 3h1c n GLU 313 N -0.28 -0.45 -1.14 2.90 -0.58 -1.02 -4.96 120.64 115.12 3h1c n GLU 313 Ca -0.04 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.41 3h1c n GLU 313 Cb 0.60 0.00 0.17 0.00 -0.57 0.00 0.00 31.44 31.64 3h1c n GLU 313 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3h1c s PRO 314 N -2.76 0.65 0.00 3.49 0.04 -1.26 -4.68 135.00 130.47 3h1c s PRO 314 Ca 0.00 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.70 3h1c s PRO 314 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 3h1c s PRO 314 CO 0.00 -2.62 0.00 0.54 0.04 0.00 0.00 177.00 174.96 3h1c n ARG 315 N -4.12 0.60 0.00 4.56 1.74 -0.39 -4.84 116.66 114.22 3h1c n ARG 315 Ca 0.06 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 3h1c n ARG 315 Cb 0.56 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.94 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 -0.54 1.09 -0.30 0.55 1.08 -1.88 -2.96 117.51 114.55 3h1c h ILE 316 Ca 0.00 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3h1c h ILE 316 Cb 0.00 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 3h1c h ILE 316 CO 0.00 0.08 0.00 -0.90 -0.69 0.00 0.00 178.15 176.64 3h1c n ASP 317 N -4.99 2.59 -0.29 1.72 5.75 -1.26 -4.12 116.55 115.95 3h1c n ASP 317 Ca -0.06 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3h1c n ASP 317 Cb 0.08 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 1.32 0.97 3.71 6.12 0.00 -1.12 -4.83 105.19 111.37 3h1c n GLY 318 Ca 0.18 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.13 2.40 0.00 1.61 0.52 -1.26 -4.77 118.95 114.32 3h1c s ARG 319 Ca 0.00 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 3h1c s ARG 319 Cb 0.00 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.26 3h1c s ARG 319 CO 0.00 0.23 0.00 0.39 0.02 0.00 0.00 175.30 175.94 3h1c n GLU 320 N -1.07 0.99 -0.18 3.54 -0.58 -1.26 -1.26 120.64 120.83 3h1c n GLU 320 Ca -0.05 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.64 3h1c n GLU 320 Cb 0.60 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.52 3h1c n GLU 320 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3h1c h LYS 321 N 0.00 0.58 0.00 3.49 1.57 -1.95 -3.27 116.57 116.98 3h1c h LYS 321 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3h1c h LYS 321 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3h1c h LYS 321 CO 0.00 0.38 -1.16 -0.40 -0.57 0.00 0.00 179.45 177.70 3h1c n ASP 322 N -4.81 1.23 -4.71 0.86 5.68 -1.26 -1.67 116.55 111.87 3h1c n ASP 322 Ca 0.04 -0.40 -0.42 0.00 -0.50 0.00 0.00 54.79 53.52 3h1c n ASP 322 Cb 0.10 1.33 -0.03 0.00 -1.14 0.00 0.00 41.12 41.38 3h1c n ASP 322 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3h1c s MET 323 N -2.65 4.15 0.26 0.11 -1.94 -1.24 -4.81 119.30 113.18 3h1c s MET 323 Ca -0.00 2.54 0.06 0.00 -1.71 0.00 0.00 55.69 56.58 3h1c s MET 323 Cb 0.10 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.62 3h1c s MET 323 CO 0.58 -0.75 0.26 0.96 -0.01 0.00 0.00 175.02 176.05 3h1c s ILE 324 N 1.74 4.60 0.87 2.53 -4.36 -1.26 -4.65 121.20 120.67 3h1c s ILE 324 Ca 0.76 -1.27 -0.12 0.00 -0.26 0.00 0.00 60.65 59.76 3h1c s ILE 324 Cb -0.47 -3.52 0.11 0.00 1.25 0.00 0.00 42.46 39.84 3h1c s ILE 324 CO 0.33 -0.33 1.11 -0.13 0.24 0.00 0.00 174.94 176.17 3h1c s ARG 325 N -3.90 1.48 0.69 0.37 0.52 -1.26 -5.03 118.95 111.82 3h1c s ARG 325 Ca 0.34 0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 55.89 3h1c s ARG 325 Cb -0.08 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.55 3h1c s ARG 325 CO 0.26 -2.00 1.15 0.20 0.02 0.00 0.00 175.30 174.93 3h1c s GLY 326 N -3.89 2.23 0.13 -3.53 0.00 -1.26 -4.69 107.32 96.30 3h1c s GLY 326 Ca 0.63 0.69 0.10 0.00 0.00 0.00 0.00 44.72 46.14 3h1c s GLY 326 CO 0.54 1.07 -0.22 1.08 0.00 0.00 0.00 173.10 175.58 3h1c s LEU 327 N -5.02 2.55 -0.12 0.66 1.43 -1.26 -0.52 118.68 116.40 3h1c s LEU 327 Ca 0.70 -0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 3h1c s LEU 327 Cb -0.24 -1.41 0.05 0.00 0.03 0.00 0.00 46.19 44.63 3h1c s LEU 327 CO 0.43 0.18 0.12 -1.81 0.23 0.00 0.00 176.35 175.50 3h1c s ASP 328 N -2.14 1.46 -0.12 2.29 1.01 -0.28 -4.99 116.67 113.89 3h1c s ASP 328 Ca 0.17 -0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.32 3h1c s ASP 328 Cb -0.10 0.02 -0.01 0.00 1.01 0.00 0.00 42.92 43.84 3h1c s ASP 328 CO 0.09 -0.29 -0.17 -0.69 0.21 0.00 0.00 175.17 174.31 3h1c s VAL 329 N 2.22 2.66 0.09 -1.27 1.01 -1.26 -1.69 120.40 122.15 3h1c s VAL 329 Ca 0.04 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3h1c s VAL 329 Cb -0.14 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3h1c s VAL 329 CO -0.07 0.54 -0.13 -0.13 0.00 0.00 0.00 175.10 175.31 3h1c s ARG 330 N 0.39 0.85 -0.16 2.72 1.81 -1.07 -4.99 118.95 118.50 3h1c s ARG 330 Ca -0.13 -1.06 -0.03 0.00 -1.72 0.00 0.00 55.73 52.79 3h1c s ARG 330 Cb -0.17 -0.73 0.05 0.00 -0.45 0.00 0.00 34.95 33.66 3h1c s ARG 330 CO 0.06 0.14 0.04 0.99 -0.68 0.00 0.00 175.30 175.86 3h1c s THR 331 N -1.78 0.32 -0.16 0.02 2.01 -1.26 -3.16 115.64 111.63 3h1c s THR 331 Ca 0.02 -0.32 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 3h1c s THR 331 Cb -0.07 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 3h1c s THR 331 CO 0.02 -0.14 0.15 0.61 -0.69 0.00 0.00 174.62 174.56 3h1c n GLY 332 N 5.13 0.32 0.27 4.40 0.00 0.28 -4.96 105.19 110.64 3h1c n GLY 332 Ca -0.08 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 45.96 3h1c n GLY 332 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1c n VAL 333 N -1.63 0.00 -4.83 1.61 0.31 -1.26 -4.80 118.33 107.72 3h1c n VAL 333 Ca -0.01 -0.14 -0.27 0.00 -0.01 0.00 0.00 64.34 63.91 3h1c n VAL 333 Cb 0.52 0.13 -0.17 0.00 -0.91 0.00 0.00 33.84 33.41 3h1c n VAL 333 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3h1c s LEU 334 N -2.13 1.84 0.29 7.52 1.43 -1.26 -5.10 118.68 121.26 3h1c s LEU 334 Ca 0.38 -0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.88 3h1c s LEU 334 Cb 0.21 -1.02 -0.09 0.00 0.03 0.00 0.00 46.19 45.31 3h1c s LEU 334 CO 0.39 0.10 0.81 -2.16 0.23 0.00 0.00 176.35 175.72 3h1c s PRO 335 N 0.40 4.31 0.00 1.29 0.04 -1.26 -4.08 135.00 135.70 3h1c s PRO 335 Ca -0.13 1.00 0.00 0.00 0.04 0.00 0.00 61.00 61.91 3h1c s PRO 335 Cb -0.15 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.66 3h1c s PRO 335 CO 0.05 0.28 0.00 0.54 0.04 0.00 0.00 177.00 177.91 3h1c n ARG 336 N 0.39 0.00 -4.25 4.56 5.12 -1.26 -5.06 116.66 116.16 3h1c n ARG 336 Ca 0.01 0.22 -0.14 0.00 -1.93 0.00 0.00 57.85 56.00 3h1c n ARG 336 Cb 0.51 -3.21 -0.10 0.00 -1.16 0.00 0.00 32.46 28.50 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 -2.00 1.03 -0.11 0.55 -1.32 -1.26 -5.08 115.64 107.45 3h1c s THR 337 Ca 0.00 -2.03 -0.27 0.00 -1.21 0.00 0.00 61.69 58.18 3h1c s THR 337 Cb 0.00 -1.95 -0.24 0.00 -1.51 0.00 0.00 72.50 68.80 3h1c s THR 337 CO 0.00 -0.65 0.85 0.45 -2.21 0.00 0.00 174.62 173.06 3h1c h HIS 338 N 2.73 -0.01 -3.75 9.09 3.86 -1.92 -3.47 115.15 121.68 3h1c h HIS 338 Ca -0.37 -0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.64 3h1c h HIS 338 Cb 1.20 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.42 3h1c h HIS 338 CO 0.61 0.84 -0.67 0.20 0.86 0.00 0.00 177.93 179.77 3h1c s GLY 339 N -3.95 0.07 -0.02 2.45 0.00 -0.79 -3.57 107.32 101.51 3h1c s GLY 339 Ca -0.18 -0.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.26 3h1c s GLY 339 CO 0.66 -0.20 0.27 -0.56 0.00 0.00 0.00 173.10 173.27 3h1c s SER 340 N -0.59 -0.15 -0.05 1.64 0.01 -1.26 -0.90 113.70 112.40 3h1c s SER 340 Ca -0.07 0.06 -0.16 0.00 1.31 0.00 0.00 55.95 57.09 3h1c s SER 340 Cb -0.04 0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.53 3h1c s SER 340 CO -0.00 -0.41 0.37 0.00 0.41 0.00 0.00 173.24 173.61 3h1c s ALA 341 N -1.25 -0.94 -0.36 1.44 0.00 0.36 -0.56 121.76 120.45 3h1c s ALA 341 Ca -0.13 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3h1c s ALA 341 Cb -0.06 -0.09 0.12 0.00 0.00 0.00 0.00 23.12 23.09 3h1c s ALA 341 CO 0.03 -0.26 0.16 -1.17 0.00 0.00 0.00 175.76 174.52 3h1c s LEU 342 N -0.98 2.29 -0.20 0.00 2.96 -1.19 -1.59 118.68 119.98 3h1c s LEU 342 Ca -0.10 -2.04 -0.10 0.00 -0.22 0.00 0.00 54.13 51.67 3h1c s LEU 342 Cb -0.04 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 3h1c s LEU 342 CO 0.04 -0.35 0.13 0.12 -1.32 0.00 0.00 176.35 174.96 3h1c s PHE 343 N 1.12 3.39 -0.08 5.38 5.36 -0.96 -2.58 117.98 129.61 3h1c s PHE 343 Ca 0.13 0.30 -0.00 0.00 -0.96 0.00 0.00 56.93 56.40 3h1c s PHE 343 Cb -0.20 -2.16 0.02 0.00 -0.34 0.00 0.00 43.02 40.34 3h1c s PHE 343 CO -0.14 0.27 -0.04 0.99 -1.46 0.00 0.00 175.22 174.84 3h1c s THR 344 N 0.41 0.69 -0.68 0.12 2.01 -0.68 -0.68 115.64 116.83 3h1c s THR 344 Ca 0.08 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 61.97 3h1c s THR 344 Cb -0.11 -0.76 0.17 0.00 0.01 0.00 0.00 72.50 71.80 3h1c s THR 344 CO -0.01 0.30 0.49 -0.60 -0.69 0.00 0.00 174.62 174.11 3h1c s ARG 345 N 1.66 2.60 2.54 4.92 3.52 -0.51 -1.12 118.95 132.56 3h1c s ARG 345 Ca 0.02 -2.84 0.00 0.00 -0.13 0.00 0.00 55.73 52.78 3h1c s ARG 345 Cb -0.13 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 3h1c s ARG 345 CO -0.05 -1.20 0.00 0.41 -0.81 0.00 0.00 175.30 173.65 3h1c n GLY 346 N 2.94 2.01 0.55 8.12 0.00 0.33 -3.36 105.19 115.77 3h1c n GLY 346 Ca 0.12 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.03 3h1c n GLY 346 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h1c n GLU 347 N 0.00 0.53 -5.17 1.61 0.28 -1.26 -4.94 120.64 111.69 3h1c n GLU 347 Ca 0.00 -1.86 -0.32 0.00 -0.16 0.00 0.00 57.16 54.83 3h1c n GLU 347 Cb 0.00 -0.82 -0.16 0.00 1.43 0.00 0.00 31.44 31.88 3h1c n GLU 347 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 3h1c s THR 348 N -1.17 2.25 0.04 3.84 -1.32 -1.21 -4.02 115.64 114.05 3h1c s THR 348 Ca 0.19 -0.98 0.07 0.00 -1.21 0.00 0.00 61.69 59.75 3h1c s THR 348 Cb 0.18 -1.85 -0.02 0.00 -1.51 0.00 0.00 72.50 69.30 3h1c s THR 348 CO -0.03 0.56 -0.19 -1.58 -2.21 0.00 0.00 174.62 171.18 3h1c s GLN 349 N 0.00 1.29 -0.22 7.08 0.74 -0.04 -1.42 119.66 127.09 3h1c s GLN 349 Ca -0.08 -0.89 -0.04 0.00 0.05 0.00 0.00 55.36 54.40 3h1c s GLN 349 Cb -0.15 -1.38 0.07 0.00 1.10 0.00 0.00 33.01 32.65 3h1c s GLN 349 CO 0.05 0.35 0.08 0.00 -0.55 0.00 0.00 175.29 175.23 3h1c s ALA 350 N -0.80 0.76 -0.47 1.58 0.00 0.14 -2.05 121.76 120.92 3h1c s ALA 350 Ca 0.06 -0.74 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 3h1c s ALA 350 Cb -0.09 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.85 3h1c s ALA 350 CO 0.02 -1.33 0.81 -1.17 0.00 0.00 0.00 175.76 174.09 3h1c s LEU 351 N 1.99 4.24 -0.13 0.00 2.96 0.59 -2.26 118.68 126.07 3h1c s LEU 351 Ca 0.03 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 53.78 3h1c s LEU 351 Cb -0.16 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.57 3h1c s LEU 351 CO -0.17 -0.97 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.08 3h1c s VAL 352 N 3.39 3.05 0.03 1.68 1.01 -0.62 -0.35 120.40 128.60 3h1c s VAL 352 Ca 0.30 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.71 3h1c s VAL 352 Cb -0.12 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3h1c s VAL 352 CO 0.22 0.52 -0.26 0.42 0.00 0.00 0.00 175.10 176.00 3h1c s THR 353 N 0.41 2.10 -0.07 3.92 -4.23 -0.81 -0.49 115.64 116.47 3h1c s THR 353 Ca -0.10 -1.31 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 3h1c s THR 353 Cb -0.16 -1.78 -0.02 0.00 1.34 0.00 0.00 72.50 71.88 3h1c s THR 353 CO 0.05 0.43 -0.16 0.00 -0.54 0.00 0.00 174.62 174.39 3h1c s ALA 354 N -0.75 2.54 -0.06 3.99 0.00 -0.08 -1.80 121.76 125.60 3h1c s ALA 354 Ca 0.11 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.12 3h1c s ALA 354 Cb -0.10 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.08 3h1c s ALA 354 CO 0.01 0.46 -0.13 0.99 0.00 0.00 0.00 175.76 177.09 3h1c s THR 355 N -0.36 1.18 -0.05 0.00 2.01 -0.01 -1.89 115.64 116.52 3h1c s THR 355 Ca 0.03 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 3h1c s THR 355 Cb -0.12 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 3h1c s THR 355 CO 0.02 0.36 0.11 -0.76 -0.69 0.00 0.00 174.62 173.67 3h1c s LEU 356 N 0.61 4.10 0.34 4.42 1.43 -1.26 -1.03 118.68 127.28 3h1c s LEU 356 Ca -0.14 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 3h1c s LEU 356 Cb -0.16 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.87 3h1c s LEU 356 CO 0.04 0.32 0.69 -0.83 0.23 0.00 0.00 176.35 176.81 3h1c s GLY 357 N -1.46 0.47 0.78 -3.19 0.00 -0.45 -5.01 107.32 98.46 3h1c s GLY 357 Ca 0.20 -0.79 -0.07 0.00 0.00 0.00 0.00 44.72 44.06 3h1c s GLY 357 CO 0.10 -0.41 1.09 -0.51 0.00 0.00 0.00 173.10 173.38 3h1c s THR 358 N -2.93 2.15 -0.08 0.90 -4.23 -1.26 -1.07 115.64 109.12 3h1c s THR 358 Ca 0.18 -0.33 0.29 0.00 -1.18 0.00 0.00 61.69 60.65 3h1c s THR 358 Cb -0.04 -2.82 0.32 0.00 1.34 0.00 0.00 72.50 71.30 3h1c s THR 358 CO 0.12 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.08 3h1c h ALA 359 N -0.86 1.00 -0.54 3.99 0.00 -1.95 -2.31 119.26 118.58 3h1c h ALA 359 Ca -0.41 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3h1c h ALA 359 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3h1c h ALA 359 CO 0.45 0.00 -0.05 -0.09 0.00 0.00 0.00 179.25 179.56 3h1c h ARG 360 N 0.00 0.98 -3.10 0.00 2.43 -1.99 -3.29 114.38 109.41 3h1c h ARG 360 Ca 0.00 -0.32 -0.78 0.00 -0.81 0.00 0.00 59.98 58.07 3h1c h ARG 360 Cb 0.28 -0.08 -0.20 0.00 -0.42 0.00 0.00 29.97 29.55 3h1c h ARG 360 CO 0.00 1.00 1.60 -0.25 -1.51 0.00 0.00 179.97 180.81 3h1c n ASP 361 N -4.17 6.07 -4.12 -3.80 8.00 -0.87 -4.96 116.55 112.71 3h1c n ASP 361 Ca 0.02 -3.26 -0.18 0.00 0.71 0.00 0.00 54.79 52.09 3h1c n ASP 361 Cb 0.37 -1.37 -0.12 0.00 -0.02 0.00 0.00 41.12 39.97 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 -1.21 0.99 -0.02 2.24 0.00 -1.24 -4.76 121.76 117.75 3h1c s ALA 362 Ca 0.38 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 3h1c s ALA 362 Cb 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3h1c s ALA 362 CO 0.02 0.14 1.11 -1.14 0.00 0.00 0.00 175.76 175.88 3h1c s GLN 363 N -1.39 4.44 -0.56 0.00 0.74 -1.24 -4.95 119.66 116.70 3h1c s GLN 363 Ca -0.02 1.58 -0.10 0.00 0.05 0.00 0.00 55.36 56.86 3h1c s GLN 363 Cb -0.09 -3.48 0.14 0.00 1.10 0.00 0.00 33.01 30.69 3h1c s GLN 363 CO 0.01 -0.27 0.46 0.08 -0.55 0.00 0.00 175.29 175.02 3h1c s VAL 364 N 1.58 4.57 -0.33 1.34 1.01 -1.26 -1.46 120.40 125.84 3h1c s VAL 364 Ca 0.54 -2.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.24 3h1c s VAL 364 Cb -0.24 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.20 3h1c s VAL 364 CO 0.25 -0.85 1.05 -0.76 0.00 0.00 0.00 175.10 174.79 3h1c s LEU 365 N 1.03 3.93 -1.24 3.92 1.43 0.74 -4.96 118.68 123.52 3h1c s LEU 365 Ca 0.09 0.97 -0.15 0.00 -1.03 0.00 0.00 54.13 54.01 3h1c s LEU 365 Cb -0.23 -3.50 0.14 0.00 0.03 0.00 0.00 46.19 42.63 3h1c s LEU 365 CO -0.02 -0.88 1.56 -0.67 0.23 0.00 0.00 176.35 176.56 3h1c n ASP 366 N 6.88 5.12 -4.93 2.29 2.03 -1.26 -1.90 116.55 124.78 3h1c n ASP 366 Ca 0.11 -2.97 -0.25 0.00 0.52 0.00 0.00 54.79 52.20 3h1c n ASP 366 Cb 0.47 -1.61 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 2.22 2.77 0.25 -0.67 2.12 -0.99 -5.01 118.70 119.40 3h1c s GLU 367 Ca 0.46 -0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.60 3h1c s GLU 367 Cb -0.00 -2.32 0.30 0.00 0.26 0.00 0.00 34.13 32.38 3h1c s GLU 367 CO 0.02 -0.74 1.64 1.25 -0.54 0.00 0.00 175.26 176.89 3h1c h LEU 368 N -0.15 0.48 -0.30 2.70 5.85 -1.97 -3.14 115.31 118.78 3h1c h LEU 368 Ca -0.45 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 57.96 3h1c h LEU 368 Cb 1.27 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3h1c h LEU 368 CO 0.59 0.82 -0.24 0.24 -0.34 0.00 0.00 178.44 179.52 3h1c h MET 369 N 0.38 0.69 0.00 1.25 2.86 -1.97 -3.44 114.93 114.71 3h1c h MET 369 Ca 0.04 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3h1c h MET 369 Cb 0.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.52 3h1c h MET 369 CO 0.07 0.95 0.00 0.41 1.06 0.00 0.00 176.91 179.40 3h1c n GLY 370 N 0.09 -0.71 3.65 8.32 0.00 -1.19 -4.89 105.19 110.46 3h1c n GLY 370 Ca -0.03 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 3h1c n GLY 370 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h1c s GLU 371 N -0.40 4.12 -0.07 1.61 2.12 -1.26 -2.33 118.70 122.49 3h1c s GLU 371 Ca 0.00 0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.50 3h1c s GLU 371 Cb 0.00 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.82 3h1c s GLU 371 CO 0.00 -0.10 -0.18 0.50 -0.54 0.00 0.00 175.26 174.94 3h1c s ARG 372 N 1.51 2.26 -0.15 4.30 6.06 -0.80 -5.01 118.95 127.12 3h1c s ARG 372 Ca 0.17 -0.66 -0.03 0.00 -2.50 0.00 0.00 55.73 52.72 3h1c s ARG 372 Cb -0.15 -1.81 -0.02 0.00 0.06 0.00 0.00 34.95 33.03 3h1c s ARG 372 CO 0.08 0.15 -0.06 -0.08 -2.50 0.00 0.00 175.30 172.89 3h1c s THR 373 N 0.36 3.63 -0.15 4.11 -1.32 -1.26 -0.18 115.64 120.81 3h1c s THR 373 Ca -0.13 -0.45 -0.06 0.00 -1.21 0.00 0.00 61.69 59.84 3h1c s THR 373 Cb -0.16 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.22 3h1c s THR 373 CO 0.05 0.50 0.06 -1.81 -2.21 0.00 0.00 174.62 171.21 3h1c s ASP 374 N 0.45 5.69 -0.25 8.08 1.01 -0.54 -4.99 116.67 126.12 3h1c s ASP 374 Ca -0.05 0.16 -0.06 0.00 0.71 0.00 0.00 52.55 53.31 3h1c s ASP 374 Cb -0.15 -1.89 -0.13 0.00 1.01 0.00 0.00 42.92 41.76 3h1c s ASP 374 CO 0.03 0.26 -0.28 0.41 0.21 0.00 0.00 175.17 175.80 3h1c n THR 375 N 2.99 1.39 -3.30 -1.27 -1.04 -1.26 -3.58 114.28 108.21 3h1c n THR 375 Ca -0.18 -0.43 -0.39 0.00 -2.04 0.00 0.00 64.05 61.01 3h1c n THR 375 Cb 0.53 -1.63 -0.07 0.00 -1.82 0.00 0.00 70.33 67.34 3h1c n THR 375 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3h1c s PHE 376 N -2.47 3.35 -0.07 -1.42 5.36 -1.26 -2.26 117.98 119.20 3h1c s PHE 376 Ca -0.34 0.68 0.04 0.00 -0.96 0.00 0.00 56.93 56.35 3h1c s PHE 376 Cb 0.11 -2.63 -0.01 0.00 -0.34 0.00 0.00 43.02 40.16 3h1c s PHE 376 CO 0.50 -0.11 -0.22 -0.51 -1.46 0.00 0.00 175.22 173.42 3h1c s LEU 377 N 1.67 2.26 -0.04 6.12 1.43 0.33 -5.00 118.68 125.44 3h1c s LEU 377 Ca 0.21 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3h1c s LEU 377 Cb -0.15 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.64 3h1c s LEU 377 CO 0.09 0.23 -0.07 0.12 0.23 0.00 0.00 176.35 176.96 3h1c s PHE 378 N -0.08 0.90 -0.02 0.29 5.36 -1.26 -0.18 117.98 122.99 3h1c s PHE 378 Ca -0.05 -0.26 0.05 0.00 -0.96 0.00 0.00 56.93 55.71 3h1c s PHE 378 Cb -0.14 -0.72 -0.01 0.00 -0.34 0.00 0.00 43.02 41.81 3h1c s PHE 378 CO 0.04 -0.18 -0.16 -1.01 -1.46 0.00 0.00 175.22 172.45 3h1c s HIS 379 N 0.67 1.49 -0.22 10.12 3.76 0.50 -4.80 115.29 126.81 3h1c s HIS 379 Ca -0.10 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 3h1c s HIS 379 Cb -0.13 -0.97 0.04 0.00 1.11 0.00 0.00 32.58 32.63 3h1c s HIS 379 CO 0.01 -0.05 -0.15 -0.47 -0.85 0.00 0.00 174.74 173.23 3h1c s TYR 380 N -0.28 2.96 -0.18 1.40 5.04 -1.26 -0.32 117.35 124.72 3h1c s TYR 380 Ca 0.04 -1.96 -0.04 0.00 -2.44 0.00 0.00 57.07 52.67 3h1c s TYR 380 Cb -0.07 -1.89 -0.03 0.00 0.35 0.00 0.00 41.96 40.32 3h1c s TYR 380 CO -0.00 -0.83 -0.02 -0.80 -1.34 0.00 0.00 175.55 172.56 3h1c s ASN 381 N 1.21 4.82 -0.56 4.32 0.01 -0.41 -4.63 114.94 119.71 3h1c s ASN 381 Ca -0.02 -0.16 0.03 0.00 -0.71 0.00 0.00 52.86 52.00 3h1c s ASN 381 Cb -0.17 -1.81 0.14 0.00 0.41 0.00 0.00 41.25 39.83 3h1c s ASN 381 CO -0.09 0.12 0.31 0.12 -1.51 0.00 0.00 177.10 176.05 3h1c s PHE 382 N 0.67 3.26 0.54 2.20 5.36 -1.26 -2.87 117.98 125.88 3h1c s PHE 382 Ca -0.01 -3.15 -0.17 0.00 -0.96 0.00 0.00 56.93 52.64 3h1c s PHE 382 Cb -0.14 -2.85 -0.06 0.00 -0.34 0.00 0.00 43.02 39.62 3h1c s PHE 382 CO 0.02 -0.73 1.02 -2.14 -1.46 0.00 0.00 175.22 171.93 3h1c s PRO 383 N -0.43 3.70 0.25 10.12 0.02 -1.26 -4.98 135.00 142.42 3h1c s PRO 383 Ca 0.18 1.09 -0.00 0.00 0.02 0.00 0.00 61.00 62.29 3h1c s PRO 383 Cb -0.23 -2.09 0.32 0.00 0.02 0.00 0.00 34.50 32.52 3h1c s PRO 383 CO -0.02 -0.48 1.68 -1.00 -0.33 0.00 0.00 177.00 176.85 3h1c h PRO 384 N 0.82 0.60 -0.01 5.54 0.13 -1.90 -2.73 132.00 134.45 3h1c h PRO 384 Ca -0.47 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 3h1c h PRO 384 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3h1c h PRO 384 CO 0.60 0.79 0.00 2.48 -0.23 0.00 0.00 178.00 181.64 3h1c n TYR 385 N -4.12 0.00 -0.02 1.56 4.11 -1.25 -1.80 117.16 115.64 3h1c n TYR 385 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.76 3h1c n TYR 385 Cb 0.42 -0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.61 3h1c n TYR 385 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 3h1c n SER 386 N -0.46 1.38 -0.44 9.48 3.41 -1.03 -4.27 113.62 121.68 3h1c n SER 386 Ca 0.00 0.28 0.07 0.00 -0.26 0.00 0.00 58.87 58.96 3h1c n SER 386 Cb 0.00 -0.34 0.03 0.00 -0.26 0.00 0.00 64.21 63.64 3h1c n SER 386 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3h1c n VAL 387 N -3.21 0.00 -1.42 -3.33 0.24 -0.75 -2.37 118.33 107.49 3h1c n VAL 387 Ca -0.25 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3h1c n VAL 387 Cb 1.05 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 34.66 3h1c n VAL 387 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h1c n GLY 388 N 0.93 0.52 3.31 7.63 0.00 -1.09 -5.02 105.19 111.47 3h1c n GLY 388 Ca 0.07 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 3h1c n GLY 388 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h1c s GLU 389 N -2.57 1.69 0.09 1.61 2.12 -1.06 -5.03 118.70 115.55 3h1c s GLU 389 Ca 0.00 -1.98 0.10 0.00 0.36 0.00 0.00 54.97 53.46 3h1c s GLU 389 Cb 0.00 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 3h1c s GLU 389 CO 0.00 -0.57 -0.26 0.95 -0.54 0.00 0.00 175.26 174.84 3h1c s THR 390 N -3.53 2.18 0.00 -1.70 -4.23 -1.26 -3.84 115.64 103.26 3h1c s THR 390 Ca 0.38 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3h1c s THR 390 Cb 0.03 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.97 3h1c s THR 390 CO 0.23 0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 3h1c n GLY 391 N 1.27 0.99 3.62 3.99 0.00 -1.26 -5.04 105.19 108.76 3h1c n GLY 391 Ca -0.18 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 3h1c n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h1c s MET 392 N -2.00 0.41 -0.39 1.61 -1.94 -1.26 -4.90 119.30 110.83 3h1c s MET 392 Ca 0.00 1.23 0.03 0.00 -1.71 0.00 0.00 55.69 55.25 3h1c s MET 392 Cb 0.00 -1.68 0.16 0.00 2.01 0.00 0.00 34.83 35.32 3h1c s MET 392 CO 0.00 -2.95 0.38 0.08 -0.01 0.00 0.00 175.02 172.53 3h1c s VAL 393 N -2.62 -0.22 0.00 -6.03 1.01 -1.26 -4.93 120.40 106.36 3h1c s VAL 393 Ca 0.67 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3h1c s VAL 393 Cb -0.23 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.39 3h1c s VAL 393 CO 0.60 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3h1c n GLY 394 N 3.83 1.82 3.73 4.51 0.00 -1.26 -5.09 105.19 112.73 3h1c n GLY 394 Ca 0.15 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3h1c n GLY 394 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h1c s SER 395 N 1.00 7.31 0.22 1.61 1.04 -1.26 -4.98 113.70 118.64 3h1c s SER 395 Ca 0.00 1.97 -0.32 0.00 0.48 0.00 0.00 55.95 58.08 3h1c s SER 395 Cb 0.00 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.39 3h1c s SER 395 CO 0.00 -0.22 1.45 -0.81 0.98 0.00 0.00 173.24 174.64 3h1c n PRO 396 N 2.82 2.06 -1.75 4.02 -0.04 -1.26 -4.98 135.00 135.86 3h1c n PRO 396 Ca 0.04 0.74 -0.29 0.00 -0.04 0.00 0.00 63.50 63.94 3h1c n PRO 396 Cb 0.47 -2.42 0.12 0.00 -0.04 0.00 0.00 33.50 31.63 3h1c n PRO 396 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3h1c s LYS 397 N -0.07 1.42 0.53 0.54 1.02 -1.26 -4.93 119.74 117.00 3h1c s LYS 397 Ca 0.71 0.11 0.30 0.00 0.02 0.00 0.00 55.97 57.10 3h1c s LYS 397 Cb -0.66 -1.89 1.46 0.00 -0.52 0.00 0.00 37.83 36.22 3h1c s LYS 397 CO 0.47 -1.97 2.05 0.00 -0.92 0.00 0.00 175.35 174.98 3h1c h ARG 398 N -1.33 0.00 0.09 1.68 3.08 -1.99 -3.03 114.38 112.88 3h1c h ARG 398 Ca -0.47 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.34 3h1c h ARG 398 Cb 1.32 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.39 3h1c h ARG 398 CO 0.60 0.11 -0.97 -0.09 -1.07 0.00 0.00 179.97 178.55 3h1c h ARG 399 N 0.00 0.50 0.00 0.04 2.43 -1.99 -3.18 114.38 112.18 3h1c h ARG 399 Ca -0.00 -0.66 -0.13 0.00 -0.81 0.00 0.00 59.98 58.38 3h1c h ARG 399 Cb 0.40 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3h1c h ARG 399 CO 0.01 1.27 -0.61 1.05 -1.51 0.00 0.00 179.97 180.19 3h1c h GLU 400 N 0.04 0.00 -0.36 0.20 4.11 -1.86 -2.96 114.58 113.75 3h1c h GLU 400 Ca -0.15 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.12 3h1c h GLU 400 Cb 1.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 3h1c h GLU 400 CO 0.19 0.61 -0.43 0.82 0.07 0.00 0.00 179.01 180.27 3h1c h ILE 401 N 0.00 1.27 -0.29 -1.06 2.04 -1.65 -2.03 117.51 115.79 3h1c h ILE 401 Ca -0.01 -1.60 -0.05 0.00 1.00 0.00 0.00 64.86 64.20 3h1c h ILE 401 Cb 1.25 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 3h1c h ILE 401 CO 0.08 0.53 -0.05 1.23 0.00 0.00 0.00 178.15 179.94 3h1c h GLY 402 N 0.76 0.49 1.93 5.37 0.00 -1.52 -2.06 103.07 108.04 3h1c h GLY 402 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3h1c h GLY 402 CO 0.10 0.28 -0.06 0.45 0.00 0.00 0.00 176.54 177.31 3h1c h HIS 403 N 0.43 0.00 -0.31 5.60 3.86 -1.47 -3.00 115.15 120.26 3h1c h HIS 403 Ca 0.09 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 3h1c h HIS 403 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3h1c h HIS 403 CO 0.01 0.00 -0.10 0.78 0.86 0.00 0.00 177.93 179.48 3h1c h GLY 404 N 4.30 0.67 2.00 2.45 0.00 -0.62 -2.45 103.07 109.42 3h1c h GLY 404 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 47.33 46.60 3h1c h GLY 404 CO 0.00 0.52 -0.73 -0.09 0.00 0.00 0.00 176.54 176.24 3h1c h ARG 405 N 0.38 0.00 -0.09 4.80 9.65 -1.62 -2.79 114.38 124.71 3h1c h ARG 405 Ca 0.07 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.97 3h1c h ARG 405 Cb 0.61 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.17 3h1c h ARG 405 CO 0.04 0.73 -0.02 1.25 2.80 0.00 0.00 179.97 184.77 3h1c h LEU 406 N 0.00 -0.07 -0.63 3.80 6.46 -1.44 0.87 115.31 124.31 3h1c h LEU 406 Ca -0.01 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 3h1c h LEU 406 Cb 1.41 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.38 3h1c h LEU 406 CO 0.10 -0.02 -0.21 0.00 -0.62 0.00 0.00 178.44 177.68 3h1c h ALA 407 N 1.09 0.93 -0.24 1.25 0.00 -1.51 -3.11 119.26 117.65 3h1c h ALA 407 Ca 0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3h1c h ALA 407 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h1c h ALA 407 CO -0.09 0.26 -0.48 -0.22 0.00 0.00 0.00 179.25 178.72 3h1c h LYS 408 N 0.00 0.75 0.00 0.00 3.64 -1.16 -3.21 116.57 116.60 3h1c h LYS 408 Ca -0.00 -0.49 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 3h1c h LYS 408 Cb 0.93 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3h1c h LYS 408 CO 0.03 1.11 -0.16 0.00 -2.27 0.00 0.00 179.45 178.16 3h1c h ARG 409 N 0.49 0.00 0.00 1.90 3.08 -0.79 0.32 114.38 119.38 3h1c h ARG 409 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3h1c h ARG 409 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3h1c h ARG 409 CO 0.11 0.16 0.00 0.78 -1.07 0.00 0.00 179.97 179.95 3h1c h GLY 410 N 1.65 0.00 0.00 0.04 0.00 -1.55 -3.35 103.07 99.86 3h1c h GLY 410 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3h1c h GLY 410 CO 0.02 0.00 -1.71 -0.62 0.00 0.00 0.00 176.54 174.23 3h1c n VAL 411 N -3.03 0.52 -0.20 4.60 0.31 -1.00 -4.63 118.33 114.90 3h1c n VAL 411 Ca 0.04 -0.42 0.16 0.00 -0.01 0.00 0.00 64.34 64.11 3h1c n VAL 411 Cb 0.50 -0.39 0.49 0.00 -0.91 0.00 0.00 33.84 33.53 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 0.43 -0.89 7.52 5.85 -1.07 0.28 115.31 127.42 3h1c h LEU 412 Ca -0.21 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.43 3h1c h LEU 412 Cb 1.33 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3h1c h LEU 412 CO 0.01 0.21 -0.46 0.00 -0.34 0.00 0.00 178.44 177.86 3h1c h ALA 413 N 1.63 1.06 0.08 1.25 0.00 -1.82 -3.19 119.26 118.26 3h1c h ALA 413 Ca 0.40 -0.44 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 3h1c h ALA 413 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3h1c h ALA 413 CO -0.14 0.62 -1.18 0.28 0.00 0.00 0.00 179.25 178.83 3h1c h VAL 414 N 0.18 1.54 -2.59 0.00 2.07 -1.26 -3.47 116.25 112.72 3h1c h VAL 414 Ca 0.01 -3.18 -0.58 0.00 0.82 0.00 0.00 66.70 63.77 3h1c h VAL 414 Cb 0.88 2.88 0.08 0.00 -1.52 0.00 0.00 31.29 33.61 3h1c h VAL 414 CO 0.07 0.91 0.65 0.23 0.02 0.00 0.00 177.57 179.46 3h1c n MET 415 N -3.45 2.06 -1.17 1.57 2.00 -0.64 -2.81 117.12 114.68 3h1c n MET 415 Ca -0.06 0.73 -0.31 0.00 0.00 0.00 0.00 57.70 58.07 3h1c n MET 415 Cb 0.99 -2.42 0.11 0.00 0.00 0.00 0.00 33.22 31.91 3h1c n MET 415 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3h1c s PRO 416 N -0.13 1.95 0.92 0.03 0.04 -1.26 -4.94 135.00 131.60 3h1c s PRO 416 Ca 0.70 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.79 3h1c s PRO 416 Cb -0.66 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.17 3h1c s PRO 416 CO 0.47 -1.87 1.16 0.16 0.04 0.00 0.00 177.00 176.96 3h1c s ASP 417 N -3.29 3.43 0.28 6.66 -4.77 -1.26 -4.94 116.67 112.79 3h1c s ASP 417 Ca 0.62 0.86 0.09 0.00 -3.30 0.00 0.00 52.55 50.83 3h1c s ASP 417 Cb -0.18 -1.36 0.39 0.00 -1.09 0.00 0.00 42.92 40.69 3h1c s ASP 417 CO 0.56 -2.59 1.64 0.24 0.70 0.00 0.00 175.17 175.73 3h1c h MET 418 N -1.52 0.05 -0.31 2.11 2.86 -1.97 -2.94 114.93 113.21 3h1c h MET 418 Ca -0.49 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.05 3h1c h MET 418 Cb 1.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 3h1c h MET 418 CO 0.59 0.61 -0.05 -0.44 1.06 0.00 0.00 176.91 178.67 3h1c h ASP 419 N 0.04 0.58 1.20 1.22 3.32 -2.02 -3.21 116.42 117.55 3h1c h ASP 419 Ca -0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3h1c h ASP 419 Cb 1.02 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3h1c h ASP 419 CO 0.08 0.79 -0.67 0.11 -1.72 0.00 0.00 179.24 177.82 3h1c h LYS 420 N 0.35 0.00 -2.37 3.56 1.57 -1.97 -3.43 116.57 114.28 3h1c h LYS 420 Ca 0.08 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.42 3h1c h LYS 420 Cb 0.53 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.48 3h1c h LYS 420 CO 0.03 0.00 -0.73 0.12 -0.57 0.00 0.00 179.45 178.30 3h1c s PHE 421 N -3.28 0.02 -1.09 -1.35 5.36 -1.11 -5.05 117.98 111.47 3h1c s PHE 421 Ca 0.03 -0.78 -0.04 0.00 -0.96 0.00 0.00 56.93 55.18 3h1c s PHE 421 Cb 0.09 -0.66 0.15 0.00 -0.34 0.00 0.00 43.02 42.27 3h1c s PHE 421 CO 0.74 -0.89 2.35 -0.35 -1.46 0.00 0.00 175.22 175.61 3h1c n PRO 422 N 4.84 4.27 -4.29 10.12 -0.04 -1.22 -4.37 135.00 144.31 3h1c n PRO 422 Ca 0.02 -3.47 -0.18 0.00 -0.04 0.00 0.00 63.50 59.84 3h1c n PRO 422 Cb 0.43 -2.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.25 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 -1.93 0.79 -0.13 0.54 1.51 -1.26 -4.65 117.35 112.21 3h1c s TYR 423 Ca 0.52 -0.21 -0.19 0.00 -1.01 0.00 0.00 57.07 56.18 3h1c s TYR 423 Cb 0.23 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 3h1c s TYR 423 CO -0.14 -0.01 0.54 0.95 -1.11 0.00 0.00 175.55 175.78 3h1c s THR 424 N -0.43 5.13 -0.15 -0.71 -4.23 -0.23 -4.92 115.64 110.09 3h1c s THR 424 Ca 0.01 1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 61.57 3h1c s THR 424 Cb -0.05 -3.87 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 3h1c s THR 424 CO 0.00 0.26 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.55 3h1c s VAL 425 N 0.99 3.22 -0.19 2.29 1.01 -0.96 -1.34 120.40 125.42 3h1c s VAL 425 Ca 0.28 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 3h1c s VAL 425 Cb -0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3h1c s VAL 425 CO 0.11 0.50 -0.05 -0.60 0.00 0.00 0.00 175.10 175.06 3h1c s ARG 426 N 0.61 3.44 -0.17 2.72 3.52 -0.20 -0.52 118.95 128.37 3h1c s ARG 426 Ca -0.06 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 54.93 3h1c s ARG 426 Cb -0.15 -2.94 -0.00 0.00 -1.56 0.00 0.00 34.95 30.29 3h1c s ARG 426 CO 0.03 -0.05 -0.13 0.08 -0.81 0.00 0.00 175.30 174.42 3h1c s VAL 427 N 1.10 2.82 -0.16 7.11 1.01 0.75 -0.83 120.40 132.19 3h1c s VAL 427 Ca 0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3h1c s VAL 427 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 3h1c s VAL 427 CO -0.00 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.79 3h1c s VAL 428 N 0.90 2.99 -0.36 2.92 1.01 -0.75 -0.37 120.40 126.74 3h1c s VAL 428 Ca -0.03 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 3h1c s VAL 428 Cb -0.15 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.95 3h1c s VAL 428 CO -0.01 0.50 0.23 -0.55 0.00 0.00 0.00 175.10 175.27 3h1c s SER 429 N 0.81 5.90 -0.41 3.32 0.15 0.57 -1.93 113.70 122.10 3h1c s SER 429 Ca -0.04 -0.73 -0.10 0.00 0.70 0.00 0.00 55.95 55.78 3h1c s SER 429 Cb -0.15 -2.09 0.07 0.00 -1.71 0.00 0.00 66.02 62.13 3h1c s SER 429 CO 0.01 -0.33 0.25 -1.61 1.20 0.00 0.00 173.24 172.76 3h1c s GLU 430 N 1.65 2.67 -0.25 5.44 0.41 0.53 -1.29 118.70 127.85 3h1c s GLU 430 Ca 0.04 -1.37 -0.29 0.00 -0.41 0.00 0.00 54.97 52.95 3h1c s GLU 430 Cb -0.18 -3.77 0.00 0.00 -1.78 0.00 0.00 34.13 28.40 3h1c s GLU 430 CO 0.09 -0.89 1.20 0.42 -0.49 0.00 0.00 175.26 175.58 3h1c s ILE 431 N 1.46 4.34 -0.21 -1.63 -1.09 -1.14 -0.30 121.20 122.63 3h1c s ILE 431 Ca 0.03 1.57 0.10 0.00 -2.23 0.00 0.00 60.65 60.12 3h1c s ILE 431 Cb -0.22 -4.19 -0.22 0.00 -1.58 0.00 0.00 42.46 36.25 3h1c s ILE 431 CO 0.03 -0.33 -0.00 0.41 -1.23 0.00 0.00 174.94 173.82 3h1c n THR 432 N 5.76 1.46 -4.00 2.92 -1.04 -0.87 -4.49 114.28 114.02 3h1c n THR 432 Ca 0.13 -0.74 -0.11 0.00 -2.04 0.00 0.00 64.05 61.30 3h1c n THR 432 Cb 0.46 -0.92 -0.12 0.00 -1.82 0.00 0.00 70.33 67.93 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 -2.51 0.34 -0.18 -2.82 2.02 -1.18 -4.33 118.70 110.04 3h1c s GLU 433 Ca -0.20 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.20 3h1c s GLU 433 Cb 0.07 -0.06 0.06 0.00 0.10 0.00 0.00 34.13 34.30 3h1c s GLU 433 CO 0.74 -0.00 0.08 0.45 0.02 0.00 0.00 175.26 176.55 3h1c s SER 434 N -1.20 2.47 -0.37 -0.19 0.15 -1.00 -0.86 113.70 112.70 3h1c s SER 434 Ca -0.11 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 55.92 3h1c s SER 434 Cb -0.08 -0.30 0.16 0.00 -1.71 0.00 0.00 66.02 64.09 3h1c s SER 434 CO -0.00 -0.34 0.43 0.21 1.20 0.00 0.00 173.24 174.73 3h1c s ASN 435 N 2.09 0.53 0.00 5.45 2.47 -1.26 -4.76 114.94 119.46 3h1c s ASN 435 Ca 0.02 -1.30 0.00 0.00 0.42 0.00 0.00 52.86 52.00 3h1c s ASN 435 Cb -0.16 0.91 0.00 0.00 -1.45 0.00 0.00 41.25 40.54 3h1c s ASN 435 CO -0.09 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 173.65 3h1c n GLY 436 N 4.39 1.07 3.56 1.21 0.00 -1.26 -4.42 105.19 109.74 3h1c n GLY 436 Ca 0.10 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 3h1c n GLY 436 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1c s SER 437 N 0.00 4.89 0.00 1.61 0.01 -1.26 -4.80 113.70 114.15 3h1c s SER 437 Ca 0.00 1.02 0.28 0.00 1.31 0.00 0.00 55.95 58.57 3h1c s SER 437 Cb 0.00 -2.51 1.15 0.00 0.21 0.00 0.00 66.02 64.87 3h1c s SER 437 CO 0.00 -2.54 1.85 -1.54 0.41 0.00 0.00 173.24 171.42 3h1c n SER 438 N 14.12 0.18 0.17 2.44 3.41 -1.26 -3.43 113.62 129.25 3h1c n SER 438 Ca 0.31 0.04 0.01 0.00 -0.26 0.00 0.00 58.87 58.97 3h1c n SER 438 Cb 0.52 -0.24 0.29 0.00 -0.26 0.00 0.00 64.21 64.51 3h1c n SER 438 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3h1c h SER 439 N 0.11 0.00 1.27 4.04 0.02 -1.95 -2.03 113.55 115.02 3h1c h SER 439 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 3h1c h SER 439 Cb 0.44 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3h1c h SER 439 CO 0.00 0.47 -0.62 0.24 -1.14 0.00 0.00 176.83 175.78 3h1c h MET 440 N 0.00 0.00 0.00 3.45 2.86 -1.86 -3.04 114.93 116.34 3h1c h MET 440 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3h1c h MET 440 Cb 0.84 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 3h1c h MET 440 CO 0.06 0.62 -0.22 0.00 1.06 0.00 0.00 176.91 178.43 3h1c h ALA 441 N 1.38 0.96 -0.08 6.32 0.00 -1.61 -2.97 119.26 123.25 3h1c h ALA 441 Ca -0.01 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3h1c h ALA 441 Cb 1.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3h1c h ALA 441 CO 0.08 0.28 -0.64 0.77 0.00 0.00 0.00 179.25 179.74 3h1c h SER 442 N 0.00 0.34 -0.31 0.00 0.02 -1.26 -2.20 113.55 110.14 3h1c h SER 442 Ca -0.00 -0.21 -0.17 0.00 -0.84 0.00 0.00 61.79 60.57 3h1c h SER 442 Cb 0.86 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 3h1c h SER 442 CO 0.03 0.89 -0.44 0.58 -1.14 0.00 0.00 176.83 176.75 3h1c h VAL 443 N 0.22 1.28 -0.43 2.27 2.07 -1.48 -0.77 116.25 119.40 3h1c h VAL 443 Ca -0.01 -1.62 -0.09 0.00 0.82 0.00 0.00 66.70 65.79 3h1c h VAL 443 Cb 1.17 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3h1c h VAL 443 CO 0.10 0.54 -0.11 0.00 0.02 0.00 0.00 177.57 178.12 3h1c h GLY 445 N 0.97 0.00 1.21 0.00 0.00 -1.32 -3.23 103.07 100.71 3h1c h GLY 445 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 3h1c h GLY 445 CO 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.30 3h1c h ALA 446 N 1.44 0.72 -0.28 3.60 0.00 -0.96 -1.75 119.26 122.03 3h1c h ALA 446 Ca -0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 3h1c h ALA 446 Cb 1.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3h1c h ALA 446 CO 0.07 0.66 -0.22 1.03 0.00 0.00 0.00 179.25 180.80 3h1c h SER 447 N 0.75 0.52 0.59 0.00 0.87 -1.56 -2.02 113.55 112.71 3h1c h SER 447 Ca 0.09 -0.17 -0.20 0.00 -1.23 0.00 0.00 61.79 60.28 3h1c h SER 447 Cb 0.84 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 3h1c h SER 447 CO 0.07 0.74 -0.88 -0.07 -0.53 0.00 0.00 176.83 176.17 3h1c h LEU 448 N 0.47 0.25 -0.43 2.23 3.38 -1.55 -2.97 115.31 116.70 3h1c h LEU 448 Ca 0.07 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.66 3h1c h LEU 448 Cb 0.63 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3h1c h LEU 448 CO 0.05 1.01 -0.71 0.00 0.09 0.00 0.00 178.44 178.87 3h1c h ALA 449 N 0.98 0.62 -0.09 1.53 0.00 -1.17 -2.46 119.26 118.66 3h1c h ALA 449 Ca -0.04 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 54.10 3h1c h ALA 449 Cb 1.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3h1c h ALA 449 CO 0.13 0.76 -0.64 -0.07 0.00 0.00 0.00 179.25 179.43 3h1c h LEU 450 N 0.28 0.41 -0.69 0.00 3.38 -1.43 -1.77 115.31 115.49 3h1c h LEU 450 Ca -0.03 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 3h1c h LEU 450 Cb 1.28 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3h1c h LEU 450 CO 0.12 0.94 -0.64 0.24 0.09 0.00 0.00 178.44 179.20 3h1c h MET 451 N 0.26 0.07 -0.02 1.13 2.86 -1.53 -0.94 114.93 116.76 3h1c h MET 451 Ca -0.01 -0.05 -0.19 0.00 -2.06 0.00 0.00 59.70 57.38 3h1c h MET 451 Cb 1.18 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3h1c h MET 451 CO 0.11 0.68 -0.82 0.22 1.06 0.00 0.00 176.91 178.16 3h1c h ASP 452 N 0.05 0.34 0.92 1.22 3.58 -1.34 -3.24 116.42 117.96 3h1c h ASP 452 Ca -0.01 -0.26 -0.09 0.00 0.42 0.00 0.00 57.03 57.10 3h1c h ASP 452 Cb 1.13 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 3h1c h ASP 452 CO 0.09 1.03 -0.42 0.00 -2.88 0.00 0.00 179.24 177.06 3h1c h ALA 453 N 0.96 0.93 0.00 -0.78 0.00 -1.27 -3.43 119.26 115.67 3h1c h ALA 453 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3h1c h ALA 453 Cb 1.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3h1c h ALA 453 CO 0.13 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.31 3h1c n GLY 454 N 0.39 1.02 3.66 0.00 0.00 -1.05 -4.87 105.19 104.34 3h1c n GLY 454 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.47 -1.21 1.61 1.01 -0.38 -4.94 120.40 118.96 3h1c s VAL 455 Ca 0.00 1.78 -0.21 0.00 0.00 0.00 0.00 61.98 63.55 3h1c s VAL 455 Cb 0.00 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3h1c s VAL 455 CO 0.00 -0.17 1.89 -0.81 0.00 0.00 0.00 175.10 176.01 3h1c n PRO 456 N 6.49 2.01 -2.27 2.72 -0.04 -1.26 -4.49 135.00 138.16 3h1c n PRO 456 Ca 0.13 -2.65 -0.32 0.00 -0.04 0.00 0.00 63.50 60.62 3h1c n PRO 456 Cb 0.45 -3.64 -0.02 0.00 -0.04 0.00 0.00 33.50 30.25 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 9.05 4.60 0.04 0.52 -4.36 -1.26 -4.49 121.20 125.30 3h1c s ILE 457 Ca 0.64 1.09 -0.26 0.00 -0.26 0.00 0.00 60.65 61.86 3h1c s ILE 457 Cb 0.01 -3.76 -0.17 0.00 1.25 0.00 0.00 42.46 39.79 3h1c s ILE 457 CO 0.12 -0.82 1.49 0.11 0.24 0.00 0.00 174.94 176.08 3h1c h LYS 458 N 0.57 -0.27 -3.52 0.37 1.57 -1.89 -3.48 116.57 109.92 3h1c h LYS 458 Ca -0.46 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.24 3h1c h LYS 458 Cb 1.19 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 3h1c h LYS 458 CO 0.62 -0.04 0.02 0.00 -0.57 0.00 0.00 179.45 179.47 3h1c s ALA 459 N -5.42 -0.20 0.16 3.86 0.00 -1.26 -5.15 121.76 113.74 3h1c s ALA 459 Ca -0.15 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 3h1c s ALA 459 Cb 0.04 0.95 -0.07 0.00 0.00 0.00 0.00 23.12 24.04 3h1c s ALA 459 CO 0.62 -0.90 1.06 0.00 0.00 0.00 0.00 175.76 176.54 3h1c s ALA 460 N -3.22 3.34 -0.11 0.00 0.00 -1.26 -5.02 121.76 115.49 3h1c s ALA 460 Ca 0.21 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.94 3h1c s ALA 460 Cb -0.03 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.77 3h1c s ALA 460 CO 0.13 -0.16 -0.17 0.54 0.00 0.00 0.00 175.76 176.10 3h1c s VAL 461 N -0.15 1.59 0.37 0.00 0.11 -1.26 -4.14 120.40 116.92 3h1c s VAL 461 Ca 0.49 -0.71 0.04 0.00 -2.93 0.00 0.00 61.98 58.86 3h1c s VAL 461 Cb -0.28 -1.44 -0.05 0.00 -1.53 0.00 0.00 36.38 33.09 3h1c s VAL 461 CO 0.33 0.46 0.07 0.00 -3.33 0.00 0.00 175.10 172.63 3h1c s ALA 462 N 0.84 2.71 -0.15 1.54 0.00 -0.99 -4.08 121.76 121.62 3h1c s ALA 462 Ca -0.09 -1.75 -0.29 0.00 0.00 0.00 0.00 51.96 49.82 3h1c s ALA 462 Cb -0.15 0.59 0.11 0.00 0.00 0.00 0.00 23.12 23.66 3h1c s ALA 462 CO 0.00 -0.28 0.91 0.20 0.00 0.00 0.00 175.76 176.59 3h1c s GLY 463 N -3.57 -0.34 0.14 0.00 0.00 -1.26 -1.42 107.32 100.87 3h1c s GLY 463 Ca 0.31 1.94 -0.01 0.00 0.00 0.00 0.00 44.72 46.95 3h1c s GLY 463 CO 0.14 1.16 0.07 -0.26 0.00 0.00 0.00 173.10 174.21 3h1c s ILE 464 N -0.87 0.09 0.18 0.90 -5.25 -0.92 -4.52 121.20 110.80 3h1c s ILE 464 Ca -0.03 -1.92 0.05 0.00 -0.99 0.00 0.00 60.65 57.76 3h1c s ILE 464 Cb -0.01 -2.11 -0.04 0.00 2.95 0.00 0.00 42.46 43.25 3h1c s ILE 464 CO 0.03 -0.39 0.14 0.00 -1.79 0.00 0.00 174.94 172.93 3h1c s ALA 465 N -4.06 3.57 0.14 2.27 0.00 -1.26 -2.67 121.76 119.74 3h1c s ALA 465 Ca 0.26 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 51.02 3h1c s ALA 465 Cb 0.07 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 3h1c s ALA 465 CO 0.03 0.46 -0.11 -1.64 0.00 0.00 0.00 175.76 174.50 3h1c s MET 466 N -3.23 1.04 0.31 0.00 -1.94 0.22 -1.11 119.30 114.60 3h1c s MET 466 Ca 0.31 -1.37 0.04 0.00 -1.71 0.00 0.00 55.69 52.96 3h1c s MET 466 Cb -0.10 -0.72 -0.03 0.00 2.01 0.00 0.00 34.83 35.99 3h1c s MET 466 CO 0.24 0.11 0.20 0.20 -0.01 0.00 0.00 175.02 175.75 3h1c s GLY 467 N -2.91 2.14 -0.12 -0.03 0.00 0.36 -1.48 107.32 105.27 3h1c s GLY 467 Ca 0.14 -1.81 -0.16 0.00 0.00 0.00 0.00 44.72 42.88 3h1c s GLY 467 CO 0.02 -1.54 0.43 -2.27 0.00 0.00 0.00 173.10 169.73 3h1c s LEU 468 N -3.37 0.36 -0.20 0.66 2.96 -1.26 -0.93 118.68 116.90 3h1c s LEU 468 Ca 0.37 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.96 3h1c s LEU 468 Cb 0.04 1.54 0.05 0.00 0.50 0.00 0.00 46.19 48.33 3h1c s LEU 468 CO 0.20 -0.26 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.26 3h1c s VAL 469 N -0.24 1.04 -0.01 1.68 1.01 -0.90 -1.92 120.40 121.05 3h1c s VAL 469 Ca -0.04 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3h1c s VAL 469 Cb -0.03 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 3h1c s VAL 469 CO 0.02 -0.06 -0.17 -0.75 0.00 0.00 0.00 175.10 174.14 3h1c s LYS 470 N 1.64 1.43 -0.44 2.72 2.20 -1.26 -1.68 119.74 124.35 3h1c s LYS 470 Ca -0.02 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 3h1c s LYS 470 Cb -0.17 -1.37 0.15 0.00 -1.51 0.00 0.00 37.83 34.92 3h1c s LYS 470 CO -0.07 0.37 0.28 -2.00 -0.36 0.00 0.00 175.35 173.57 3h1c s GLU 471 N -0.39 1.12 0.00 4.03 2.12 -0.91 -4.99 118.70 119.68 3h1c s GLU 471 Ca 0.06 -1.99 0.00 0.00 0.36 0.00 0.00 54.97 53.40 3h1c s GLU 471 Cb -0.07 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.37 3h1c s GLU 471 CO -0.01 -1.24 0.00 0.41 -0.54 0.00 0.00 175.26 173.88 3h1c n GLY 472 N 3.34 2.19 0.77 -1.50 0.00 -1.26 -3.89 105.19 104.84 3h1c n GLY 472 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3h1c n GLY 472 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1c n ASP 473 N 4.17 1.07 -4.76 1.61 8.00 -1.26 -5.05 116.55 120.32 3h1c n ASP 473 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 3h1c n ASP 473 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 3h1c n ASP 473 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3h1c s ASN 474 N -4.37 7.31 0.00 -2.24 0.01 -1.25 -5.06 114.94 109.34 3h1c s ASN 474 Ca 0.00 2.08 -0.03 0.00 -0.71 0.00 0.00 52.86 54.20 3h1c s ASN 474 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 3h1c s ASN 474 CO 0.00 -0.10 0.04 -0.72 -1.51 0.00 0.00 177.10 174.81 3h1c s TYR 475 N -1.31 0.11 -0.18 2.20 1.13 -1.26 -2.14 117.35 115.90 3h1c s TYR 475 Ca 0.46 -0.24 0.01 0.00 -1.41 0.00 0.00 57.07 55.89 3h1c s TYR 475 Cb -0.27 -0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.53 3h1c s TYR 475 CO 0.34 -0.18 -0.13 0.08 -2.51 0.00 0.00 175.55 173.15 3h1c s VAL 476 N -1.05 1.70 -0.09 -3.49 1.01 -0.68 -5.01 120.40 112.78 3h1c s VAL 476 Ca -0.11 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 3h1c s VAL 476 Cb -0.07 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3h1c s VAL 476 CO 0.00 0.32 0.72 -0.69 0.00 0.00 0.00 175.10 175.45 3h1c s VAL 477 N 1.40 5.02 -0.08 2.92 1.01 -1.26 -2.13 120.40 127.28 3h1c s VAL 477 Ca 0.02 1.46 0.02 0.00 0.00 0.00 0.00 61.98 63.47 3h1c s VAL 477 Cb -0.15 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 3h1c s VAL 477 CO -0.10 0.20 -0.12 -0.76 0.00 0.00 0.00 175.10 174.33 3h1c s LEU 478 N 1.12 2.85 -0.10 3.92 1.02 -0.11 -4.78 118.68 122.61 3h1c s LEU 478 Ca 0.37 -0.19 -0.02 0.00 0.02 0.00 0.00 54.13 54.31 3h1c s LEU 478 Cb -0.17 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 3h1c s LEU 478 CO 0.17 0.30 -0.00 -0.44 0.02 0.00 0.00 176.35 176.39 3h1c s SER 479 N -0.42 5.19 -0.67 2.29 0.01 -0.67 -0.49 113.70 118.94 3h1c s SER 479 Ca 0.05 0.10 -0.09 0.00 1.31 0.00 0.00 55.95 57.33 3h1c s SER 479 Cb -0.12 -1.52 0.01 0.00 0.21 0.00 0.00 66.02 64.60 3h1c s SER 479 CO 0.02 0.34 0.65 -0.67 0.41 0.00 0.00 173.24 173.99 3h1c n ASP 480 N 2.39 -6.66 -4.80 2.44 2.03 -0.26 -4.78 116.55 106.91 3h1c n ASP 480 Ca -0.18 -0.23 -0.34 0.00 0.52 0.00 0.00 54.79 54.56 3h1c n ASP 480 Cb 0.53 -3.76 -0.04 0.00 -0.72 0.00 0.00 41.12 37.14 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 -2.70 3.81 0.25 5.18 -4.36 -1.25 -4.90 121.20 117.22 3h1c s ILE 481 Ca 0.10 1.14 -0.02 0.00 -0.26 0.00 0.00 60.65 61.61 3h1c s ILE 481 Cb -0.02 -3.46 0.05 0.00 1.25 0.00 0.00 42.46 40.28 3h1c s ILE 481 CO 0.81 -0.23 0.34 0.18 0.24 0.00 0.00 174.94 176.28 3h1c n LEU 482 N -0.92 0.00 -0.07 0.37 4.32 -1.26 -4.31 117.00 115.14 3h1c n LEU 482 Ca 0.09 -0.57 -0.08 0.00 -0.02 0.00 0.00 56.01 55.43 3h1c n LEU 482 Cb 0.52 -0.24 0.08 0.00 -1.62 0.00 0.00 43.42 42.17 3h1c n LEU 482 CO 0.40 -0.70 0.65 1.23 -1.22 0.00 0.00 177.39 177.75 3h1c h GLY 483 N -0.31 0.79 1.77 -0.72 0.00 -1.91 -3.02 103.07 99.68 3h1c h GLY 483 Ca -0.11 -0.72 -0.22 0.00 0.00 0.00 0.00 47.33 46.27 3h1c h GLY 483 CO 0.10 0.66 -1.00 -0.55 0.00 0.00 0.00 176.54 175.75 3h1c h ASP 484 N 0.62 0.27 0.99 0.19 3.32 -1.98 -3.28 116.42 116.56 3h1c h ASP 484 Ca 0.07 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3h1c h ASP 484 Cb 0.82 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3h1c h ASP 484 CO 0.07 1.11 0.00 -0.62 -1.72 0.00 0.00 179.24 178.08 3h1c n GLU 485 N -3.57 0.21 0.00 3.56 1.02 -1.20 -1.78 120.64 118.88 3h1c n GLU 485 Ca -0.04 0.34 -0.22 0.00 -0.02 0.00 0.00 57.16 57.22 3h1c n GLU 485 Cb 0.89 -1.83 -0.14 0.00 -0.02 0.00 0.00 31.44 30.34 3h1c n GLU 485 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3h1c h ASP 486 N 0.00 0.38 1.22 1.62 3.58 -1.59 -2.92 116.42 118.71 3h1c h ASP 486 Ca 0.00 -0.85 -0.16 0.00 0.42 0.00 0.00 57.03 56.44 3h1c h ASP 486 Cb 0.50 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 3h1c h ASP 486 CO 0.00 1.69 -0.79 0.45 -2.88 0.00 0.00 179.24 177.71 3h1c h HIS 487 N -0.24 0.00 -0.01 0.28 3.86 -1.61 -3.28 115.15 114.16 3h1c h HIS 487 Ca -0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 3h1c h HIS 487 Cb 1.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.29 3h1c h HIS 487 CO 0.11 0.73 -0.62 1.28 0.86 0.00 0.00 177.93 180.29 3h1c n LEU 488 N -3.26 1.74 0.00 2.43 4.77 -0.73 -4.96 117.00 116.99 3h1c n LEU 488 Ca 0.00 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 3h1c n LEU 488 Cb 0.84 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3h1c n LEU 488 CO 0.44 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3h1c n GLY 489 N 1.44 0.99 0.00 -0.72 0.00 -1.10 -4.89 105.19 100.91 3h1c n GLY 489 Ca 0.08 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3h1c n GLY 489 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1c n ASP 490 N 0.00 3.22 -3.86 1.61 8.00 -0.81 -5.02 116.55 119.69 3h1c n ASP 490 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 3h1c n ASP 490 Cb 0.00 0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 41.41 3h1c n ASP 490 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1c s MET 491 N -1.58 0.92 -0.65 -1.24 0.23 -1.26 -0.97 119.30 114.75 3h1c s MET 491 Ca 0.00 -0.99 0.05 0.00 -1.03 0.00 0.00 55.69 53.73 3h1c s MET 491 Cb 0.00 0.36 0.19 0.00 -1.53 0.00 0.00 34.83 33.85 3h1c s MET 491 CO 0.00 -0.31 0.54 -3.47 -2.03 0.00 0.00 175.02 169.76 3h1c n ASP 492 N -0.10 2.70 -4.66 -1.18 2.03 0.10 -4.26 116.55 111.18 3h1c n ASP 492 Ca -0.14 -3.16 -0.43 0.00 0.52 0.00 0.00 54.79 51.59 3h1c n ASP 492 Cb 0.63 -0.71 -0.02 0.00 -0.72 0.00 0.00 41.12 40.29 3h1c n ASP 492 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3h1c s PHE 493 N -1.55 2.83 -0.18 -0.67 5.36 -0.55 -2.76 117.98 120.47 3h1c s PHE 493 Ca 0.30 1.00 0.01 0.00 -0.96 0.00 0.00 56.93 57.28 3h1c s PHE 493 Cb 0.02 -3.51 0.02 0.00 -0.34 0.00 0.00 43.02 39.21 3h1c s PHE 493 CO -0.13 -1.73 -0.18 0.15 -1.46 0.00 0.00 175.22 171.87 3h1c s LYS 494 N 3.52 2.82 -0.08 10.12 1.02 0.11 0.69 119.74 137.94 3h1c s LYS 494 Ca 0.55 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.77 3h1c s LYS 494 Cb -0.22 -2.49 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 3h1c s LYS 494 CO 0.15 -0.23 -0.16 0.08 -0.92 0.00 0.00 175.35 174.26 3h1c s VAL 495 N 1.32 1.49 -0.03 3.17 1.01 -1.09 -0.70 120.40 125.58 3h1c s VAL 495 Ca 0.04 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3h1c s VAL 495 Cb -0.13 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3h1c s VAL 495 CO -0.12 0.43 -0.04 0.00 0.00 0.00 0.00 175.10 175.38 3h1c s ALA 496 N 0.60 0.53 0.00 5.51 0.00 -0.10 -2.17 121.76 126.13 3h1c s ALA 496 Ca -0.15 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 3h1c s ALA 496 Cb -0.16 -0.32 0.11 0.00 0.00 0.00 0.00 23.12 22.74 3h1c s ALA 496 CO 0.05 0.01 1.26 0.20 0.00 0.00 0.00 175.76 177.27 3h1c s GLY 497 N 0.70 -0.29 0.00 0.00 0.00 -0.51 -0.12 107.32 107.10 3h1c s GLY 497 Ca -0.08 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.05 3h1c s GLY 497 CO -0.00 1.84 0.00 -1.26 0.00 0.00 0.00 173.10 173.67 3h1c n SER 498 N -0.70 0.00 0.15 1.64 2.88 -0.64 -2.35 113.62 114.59 3h1c n SER 498 Ca -0.05 -0.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 3h1c n SER 498 Cb 0.61 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.35 3h1c n SER 498 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3h1c h ARG 499 N 0.00 0.07 -0.46 -1.46 2.43 -1.97 -3.27 114.38 109.72 3h1c h ARG 499 Ca 0.00 -0.04 -0.30 0.00 -0.81 0.00 0.00 59.98 58.83 3h1c h ARG 499 Cb 0.00 -0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.35 3h1c h ARG 499 CO 0.00 0.50 -0.32 -0.25 -1.51 0.00 0.00 179.97 178.39 3h1c n ASP 500 N -4.02 3.54 0.00 -3.80 8.00 -1.26 -5.05 116.55 113.96 3h1c n ASP 500 Ca -0.02 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.68 3h1c n ASP 500 Cb 0.47 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3h1c n ASP 500 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1c n GLY 501 N -0.98 -0.27 3.46 0.44 0.00 -1.24 -4.65 105.19 101.95 3h1c n GLY 501 Ca 0.36 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.99 3.65 -0.20 -0.61 1.01 -1.14 -1.63 121.20 120.30 3h1c s ILE 502 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 3h1c s ILE 502 Cb 0.00 -2.58 -0.21 0.00 0.01 0.00 0.00 42.46 39.68 3h1c s ILE 502 CO 0.00 0.50 0.05 -1.54 0.00 0.00 0.00 174.94 173.95 3h1c n SER 503 N 3.57 2.04 -3.90 3.58 3.41 0.72 -3.88 113.62 119.16 3h1c n SER 503 Ca -0.18 0.09 -0.14 0.00 -0.26 0.00 0.00 58.87 58.39 3h1c n SER 503 Cb 0.52 -0.68 -0.14 0.00 -0.26 0.00 0.00 64.21 63.65 3h1c n SER 503 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1c s ALA 504 N -2.52 0.17 -0.05 7.33 0.00 0.83 -0.32 121.76 127.21 3h1c s ALA 504 Ca -0.29 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.62 3h1c s ALA 504 Cb 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3h1c s ALA 504 CO 0.66 0.03 -0.05 -1.17 0.00 0.00 0.00 175.76 175.24 3h1c s LEU 505 N 0.04 1.34 -0.01 0.00 2.96 -1.16 -0.92 118.68 120.93 3h1c s LEU 505 Ca -0.00 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3h1c s LEU 505 Cb -0.02 -0.48 0.00 0.00 0.50 0.00 0.00 46.19 46.20 3h1c s LEU 505 CO -0.00 -0.05 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.34 3h1c s GLN 506 N 0.92 0.54 -0.18 1.98 0.74 0.13 -1.84 119.66 121.94 3h1c s GLN 506 Ca -0.11 -0.18 -0.01 0.00 0.05 0.00 0.00 55.36 55.11 3h1c s GLN 506 Cb -0.14 -0.54 0.05 0.00 1.10 0.00 0.00 33.01 33.48 3h1c s GLN 506 CO 0.00 0.08 -0.01 1.41 -0.55 0.00 0.00 175.29 176.22 3h1c s MET 507 N 0.11 1.07 -0.42 1.67 1.75 -0.51 0.09 119.30 123.06 3h1c s MET 507 Ca -0.01 -0.51 -0.05 0.00 -1.25 0.00 0.00 55.69 53.87 3h1c s MET 507 Cb -0.05 -2.07 0.11 0.00 2.84 0.00 0.00 34.83 35.66 3h1c s MET 507 CO -0.00 -0.54 0.24 -0.51 -0.65 0.00 0.00 175.02 173.56 3h1c s ASP 508 N 1.71 5.38 -0.19 1.11 1.01 -1.11 -1.78 116.67 122.80 3h1c s ASP 508 Ca -0.01 -1.99 -0.07 0.00 0.71 0.00 0.00 52.55 51.19 3h1c s ASP 508 Cb -0.16 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 3h1c s ASP 508 CO -0.07 -0.58 0.05 -0.63 0.21 0.00 0.00 175.17 174.15 3h1c s ILE 509 N 1.20 4.65 -0.45 0.77 1.01 -0.97 0.03 121.20 127.45 3h1c s ILE 509 Ca 0.07 -0.08 0.20 0.00 0.00 0.00 0.00 60.65 60.85 3h1c s ILE 509 Cb -0.24 -3.10 -0.27 0.00 0.01 0.00 0.00 42.46 38.86 3h1c s ILE 509 CO -0.03 0.45 0.63 0.29 0.00 0.00 0.00 174.94 176.28 3h1c n LYS 510 N 3.66 0.54 -2.04 2.79 4.01 -0.14 -4.82 118.16 122.16 3h1c n LYS 510 Ca -0.17 -0.10 -0.10 0.00 -0.51 0.00 0.00 58.31 57.44 3h1c n LYS 510 Cb 0.52 -1.46 0.03 0.00 -0.51 0.00 0.00 35.03 33.61 3h1c n LYS 510 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 3h1c n ILE 511 N -1.87 0.00 -0.03 -0.18 -6.64 -1.24 -4.81 119.36 104.59 3h1c n ILE 511 Ca -0.00 -0.96 -0.04 0.00 -1.77 0.00 0.00 62.75 59.98 3h1c n ILE 511 Cb 0.43 -0.71 -0.04 0.00 -1.44 0.00 0.00 39.64 37.88 3h1c n ILE 511 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3h1c n GLU 512 N -1.57 2.03 -1.30 6.28 1.02 -1.26 -4.81 120.64 121.03 3h1c n GLU 512 Ca 0.07 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.00 3h1c n GLU 512 Cb 0.30 -1.15 -0.05 0.00 -0.02 0.00 0.00 31.44 30.51 3h1c n GLU 512 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h1c n GLY 513 N 2.81 4.12 3.75 0.62 0.00 -1.26 -4.61 105.19 110.62 3h1c n GLY 513 Ca -0.11 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 3h1c n GLY 513 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3h1c s ILE 514 N -1.85 4.77 0.33 -0.61 2.07 -1.26 -5.04 121.20 119.62 3h1c s ILE 514 Ca 0.54 1.55 0.08 0.00 -1.41 0.00 0.00 60.65 61.41 3h1c s ILE 514 Cb 0.34 -4.08 -0.04 0.00 0.13 0.00 0.00 42.46 38.82 3h1c s ILE 514 CO -0.15 0.37 0.17 0.42 -1.91 0.00 0.00 174.94 173.83 3h1c s THR 515 N -0.05 3.22 0.32 4.00 -4.23 -1.26 -4.71 115.64 112.94 3h1c s THR 515 Ca 0.37 -1.63 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 3h1c s THR 515 Cb -0.20 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.68 3h1c s THR 515 CO 0.22 -0.20 1.76 0.50 -0.54 0.00 0.00 174.62 176.36 3h1c h LYS 516 N 1.50 0.20 -0.18 3.99 3.64 -2.01 -3.20 116.57 120.52 3h1c h LYS 516 Ca -0.44 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 58.71 3h1c h LYS 516 Cb 1.25 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3h1c h LYS 516 CO 0.62 0.53 -0.51 0.93 -2.27 0.00 0.00 179.45 178.74 3h1c h GLU 517 N 0.18 0.49 0.00 1.90 3.07 -2.02 -3.17 114.58 115.03 3h1c h GLU 517 Ca 0.02 -0.29 -0.04 0.00 -0.50 0.00 0.00 59.36 58.55 3h1c h GLU 517 Cb 0.70 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3h1c h GLU 517 CO 0.05 0.89 -0.18 -0.84 -1.40 0.00 0.00 179.01 177.53 3h1c h ILE 518 N 0.38 0.43 -0.16 3.13 -0.00 -1.97 -2.85 117.51 116.48 3h1c h ILE 518 Ca 0.01 -1.06 -0.14 0.00 -0.00 0.00 0.00 64.86 63.68 3h1c h ILE 518 Cb 1.03 1.77 -0.01 0.00 -0.00 0.00 0.00 36.82 39.61 3h1c h ILE 518 CO 0.09 0.18 -0.49 0.24 -0.00 0.00 0.00 178.15 178.17 3h1c h MET 519 N 0.00 0.41 -0.31 0.16 2.86 -1.62 -2.18 114.93 114.25 3h1c h MET 519 Ca -0.00 -0.23 -0.16 0.00 -2.06 0.00 0.00 59.70 57.24 3h1c h MET 519 Cb 0.76 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 3h1c h MET 519 CO 0.02 0.81 -0.46 0.37 1.06 0.00 0.00 176.91 178.72 3h1c h GLN 520 N 0.33 0.83 -0.29 1.72 5.75 -1.57 -1.68 115.11 120.19 3h1c h GLN 520 Ca 0.02 -0.47 -0.14 0.00 -0.15 0.00 0.00 58.65 57.91 3h1c h GLN 520 Cb 0.98 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 3h1c h GLN 520 CO 0.08 1.11 -0.37 0.28 -2.65 0.00 0.00 178.83 177.28 3h1c h VAL 521 N 0.66 1.29 -0.19 2.39 2.07 -1.50 -2.09 116.25 118.87 3h1c h VAL 521 Ca 0.04 -1.53 -0.20 0.00 0.82 0.00 0.00 66.70 65.82 3h1c h VAL 521 Cb 1.04 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3h1c h VAL 521 CO 0.10 0.49 -0.68 0.00 0.02 0.00 0.00 177.57 177.51 3h1c h ALA 522 N 1.02 0.43 0.03 1.67 0.00 -1.35 -2.82 119.26 118.24 3h1c h ALA 522 Ca 0.05 -0.57 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 3h1c h ALA 522 Cb 0.90 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3h1c h ALA 522 CO 0.08 0.69 -1.04 1.25 0.00 0.00 0.00 179.25 180.23 3h1c h LEU 523 N 0.54 0.63 -0.59 0.00 5.85 -1.32 -2.55 115.31 117.88 3h1c h LEU 523 Ca -0.02 -0.54 -0.14 0.00 0.84 0.00 0.00 57.88 58.02 3h1c h LEU 523 Cb 1.29 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 3h1c h LEU 523 CO 0.14 1.35 -0.40 -1.13 -0.34 0.00 0.00 178.44 178.06 3h1c h ASN 524 N 0.25 0.72 0.88 1.25 -1.24 -1.47 -1.84 115.58 114.12 3h1c h ASN 524 Ca -0.11 -0.32 -0.10 0.00 0.71 0.00 0.00 56.30 56.48 3h1c h ASN 524 Cb 1.70 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.53 3h1c h ASN 524 CO 0.19 1.03 -0.45 -0.61 -1.29 0.00 0.00 177.43 176.30 3h1c h GLN 525 N 0.56 0.00 -0.02 6.67 4.15 -1.56 -2.83 115.11 122.07 3h1c h GLN 525 Ca 0.05 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.31 3h1c h GLN 525 Cb 0.93 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 3h1c h GLN 525 CO 0.08 0.45 -0.70 0.00 -1.93 0.00 0.00 178.83 176.74 3h1c h ALA 526 N 1.55 0.79 -0.28 3.38 0.00 -1.25 -2.65 119.26 120.80 3h1c h ALA 526 Ca -0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 3h1c h ALA 526 Cb 1.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3h1c h ALA 526 CO 0.06 0.83 -0.11 -0.22 0.00 0.00 0.00 179.25 179.81 3h1c h LYS 527 N 0.08 0.57 -0.08 0.00 3.64 -1.15 -0.47 116.57 119.16 3h1c h LYS 527 Ca -0.01 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.05 3h1c h LYS 527 Cb 1.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3h1c h LYS 527 CO 0.10 0.80 -0.33 0.78 -2.27 0.00 0.00 179.45 178.53 3h1c h GLY 528 N 0.33 0.17 1.37 5.01 0.00 -1.54 -2.62 103.07 105.79 3h1c h GLY 528 Ca 0.07 -0.14 -0.24 0.00 0.00 0.00 0.00 47.33 47.02 3h1c h GLY 528 CO 0.04 0.13 -0.96 0.00 0.00 0.00 0.00 176.54 175.74 3h1c h ALA 529 N 1.53 0.27 -0.14 3.60 0.00 -1.40 -3.30 119.26 119.83 3h1c h ALA 529 Ca 0.02 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 3h1c h ALA 529 Cb 0.65 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3h1c h ALA 529 CO 0.05 0.75 -0.24 -0.09 0.00 0.00 0.00 179.25 179.71 3h1c h ARG 530 N 0.33 0.25 0.00 0.00 2.43 -0.91 -2.54 114.38 113.94 3h1c h ARG 530 Ca -0.10 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3h1c h ARG 530 Cb 1.60 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 3h1c h ARG 530 CO 0.18 0.48 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.74 3h1c h LEU 531 N 0.23 0.00 -0.02 3.80 3.38 -1.55 -2.09 115.31 119.07 3h1c h LEU 531 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3h1c h LEU 531 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3h1c h LEU 531 CO 0.04 0.31 -0.05 -0.74 0.09 0.00 0.00 178.44 178.08 3h1c h HIS 532 N 0.00 0.09 -0.62 1.13 2.76 -1.53 -1.86 115.15 115.12 3h1c h HIS 532 Ca -0.00 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.05 3h1c h HIS 532 Cb 0.65 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 3h1c h HIS 532 CO 0.00 0.68 0.05 0.82 -1.30 0.00 0.00 177.93 178.19 3h1c h ILE 533 N -0.53 1.26 -0.26 6.26 5.03 -1.53 -2.61 117.51 125.13 3h1c h ILE 533 Ca -0.00 -1.08 -0.09 0.00 -0.12 0.00 0.00 64.86 63.57 3h1c h ILE 533 Cb 0.68 0.75 -0.01 0.00 -3.03 0.00 0.00 36.82 35.21 3h1c h ILE 533 CO 0.01 0.40 -0.23 0.25 -0.68 0.00 0.00 178.15 177.90 3h1c h LEU 534 N 0.96 0.49 -0.54 1.44 6.46 -1.47 -1.62 115.31 121.02 3h1c h LEU 534 Ca 0.18 -0.16 -0.09 0.00 -0.12 0.00 0.00 57.88 57.70 3h1c h LEU 534 Cb 0.49 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 3h1c h LEU 534 CO 0.02 0.72 -0.00 1.23 -0.62 0.00 0.00 178.44 179.79 3h1c h GLY 535 N 1.00 1.03 2.00 3.75 0.00 -1.12 -0.63 103.07 109.11 3h1c h GLY 535 Ca 0.07 -0.76 -0.12 0.00 0.00 0.00 0.00 47.33 46.52 3h1c h GLY 535 CO 0.05 0.70 -0.56 -2.08 0.00 0.00 0.00 176.54 174.64 3h1c h VAL 536 N 0.83 1.16 -0.12 4.60 2.07 -1.41 -2.42 116.25 120.95 3h1c h VAL 536 Ca 0.15 -2.12 -0.14 0.00 0.82 0.00 0.00 66.70 65.42 3h1c h VAL 536 Cb 0.54 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3h1c h VAL 536 CO 0.03 0.55 -0.51 -0.03 0.02 0.00 0.00 177.57 177.63 3h1c h MET 537 N 0.00 0.33 0.00 1.57 -1.53 -1.04 -2.85 114.93 111.42 3h1c h MET 537 Ca -0.01 -0.20 0.00 0.00 -3.44 0.00 0.00 59.70 56.06 3h1c h MET 537 Cb 1.18 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 32.25 3h1c h MET 537 CO 0.07 0.77 0.00 0.93 0.14 0.00 0.00 176.91 178.82 3h1c h GLU 538 N 0.26 0.00 -0.35 0.39 5.08 -1.02 -3.25 114.58 115.69 3h1c h GLU 538 Ca 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3h1c h GLU 538 Cb 0.99 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3h1c h GLU 538 CO 0.08 0.00 -0.13 0.37 -1.00 0.00 0.00 179.01 178.34 3h1c h GLN 539 N 0.00 0.62 0.01 2.33 4.15 -1.18 -3.31 115.11 117.72 3h1c h GLN 539 Ca 0.00 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 3h1c h GLN 539 Cb 0.90 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.53 3h1c h GLN 539 CO 0.00 0.73 -0.00 0.00 -1.93 0.00 0.00 178.83 177.62 3h1c h ALA 540 N 1.30 -0.18 -3.57 3.38 0.00 -1.64 -3.48 119.26 115.08 3h1c h ALA 540 Ca 0.10 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3h1c h ALA 540 Cb 0.55 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.07 3h1c h ALA 540 CO 0.03 -0.18 -0.65 0.96 0.00 0.00 0.00 179.25 179.42 3h1c s ILE 541 N -1.38 -0.00 0.00 0.00 -5.25 -1.23 -5.03 121.20 108.30 3h1c s ILE 541 Ca -0.00 0.01 0.00 0.00 -0.99 0.00 0.00 60.65 59.67 3h1c s ILE 541 Cb 0.00 -0.10 0.00 0.00 2.95 0.00 0.00 42.46 45.31 3h1c s ILE 541 CO 0.00 0.00 0.31 -0.46 -1.79 0.00 0.00 174.94 173.01 3h1c n ASN 542 N 3.10 0.62 -3.86 4.36 6.94 -1.25 -4.23 115.26 120.93 3h1c n ASN 542 Ca -0.13 -0.93 -0.14 0.00 -0.02 0.00 0.00 54.58 53.36 3h1c n ASN 542 Cb 0.59 0.08 -0.15 0.00 -2.36 0.00 0.00 39.78 37.94 3h1c n ASN 542 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h1c s ALA 543 N -0.08 0.17 -2.00 -2.53 0.00 -1.26 -4.84 121.76 111.22 3h1c s ALA 543 Ca 0.00 0.05 0.13 0.00 0.00 0.00 0.00 51.96 52.14 3h1c s ALA 543 Cb 0.00 -0.14 0.78 0.00 0.00 0.00 0.00 23.12 23.77 3h1c s ALA 543 CO 0.00 -0.01 1.21 -2.30 0.00 0.00 0.00 175.76 174.66