#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h45 n GLU 3 N 0.00 0.62 -1.64 0.00 0.28 -1.26 -4.82 120.64 113.82 3h45 n GLU 3 Ca 0.00 0.24 -0.16 0.00 -0.16 0.00 0.00 57.16 57.08 3h45 n GLU 3 Cb 0.00 -1.53 -0.11 0.00 1.43 0.00 0.00 31.44 31.23 3h45 n GLU 3 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3h45 s LYS 4 N -2.51 1.27 -0.23 3.44 3.01 -1.26 -4.70 119.74 118.76 3h45 s LYS 4 Ca -0.36 -0.48 0.10 0.00 -1.01 0.00 0.00 55.97 54.22 3h45 s LYS 4 Cb 0.12 -5.00 0.43 0.00 -1.01 0.00 0.00 37.83 32.37 3h45 s LYS 4 CO 0.55 -5.40 1.21 0.09 0.51 0.00 0.00 175.35 172.31 3h45 n ASN 5 N 19.34 2.64 -3.80 2.83 3.02 -0.86 -4.66 115.26 133.77 3h45 n ASN 5 Ca 0.42 -3.78 -0.10 0.00 -0.03 0.00 0.00 54.58 51.09 3h45 n ASN 5 Cb 0.47 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 3h45 n ASN 5 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h45 s TYR 6 N -3.26 0.05 -0.03 3.10 2.02 -1.05 -4.33 117.35 113.85 3h45 s TYR 6 Ca 0.42 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3h45 s TYR 6 Cb 0.38 0.19 0.03 0.00 -0.40 0.00 0.00 41.96 42.16 3h45 s TYR 6 CO -0.04 -0.79 0.03 0.08 -1.57 0.00 0.00 175.55 173.26 3h45 s VAL 7 N -3.89 0.00 -0.15 0.71 1.01 -0.60 0.35 120.40 117.83 3h45 s VAL 7 Ca 0.10 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 3h45 s VAL 7 Cb 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 3h45 s VAL 7 CO -0.04 0.13 0.09 -0.32 0.00 0.00 0.00 175.10 174.96 3h45 s MET 8 N 1.39 3.64 -0.04 2.72 1.75 -0.76 -0.85 119.30 127.15 3h45 s MET 8 Ca -0.05 -0.26 0.04 0.00 -1.25 0.00 0.00 55.69 54.17 3h45 s MET 8 Cb -0.13 -3.16 -0.03 0.00 2.84 0.00 0.00 34.83 34.35 3h45 s MET 8 CO -0.03 0.53 -0.14 0.00 -0.65 0.00 0.00 175.02 174.74 3h45 s ALA 9 N -0.35 2.70 -0.18 4.11 0.00 -0.25 -0.55 121.76 127.23 3h45 s ALA 9 Ca 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3h45 s ALA 9 Cb -0.12 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.04 3h45 s ALA 9 CO 0.01 0.56 -0.17 0.42 0.00 0.00 0.00 175.76 176.59 3h45 s ILE 10 N -0.76 2.37 -0.53 0.00 -1.09 0.12 -1.70 121.20 119.61 3h45 s ILE 10 Ca 0.12 -0.84 -0.04 0.00 -2.23 0.00 0.00 60.65 57.66 3h45 s ILE 10 Cb -0.11 -2.01 0.14 0.00 -1.58 0.00 0.00 42.46 38.90 3h45 s ILE 10 CO 0.01 0.52 0.35 -0.62 -1.23 0.00 0.00 174.94 173.96 3h45 s ASP 11 N 1.27 5.34 -0.75 3.58 -1.08 0.66 -0.11 116.67 125.57 3h45 s ASP 11 Ca 0.04 -2.42 -0.23 0.00 -0.52 0.00 0.00 52.55 49.41 3h45 s ASP 11 Cb -0.14 -1.87 0.06 0.00 -1.46 0.00 0.00 42.92 39.52 3h45 s ASP 11 CO -0.10 -0.48 1.13 -1.58 0.52 0.00 0.00 175.17 174.66 3h45 s GLN 12 N 0.57 3.24 0.11 4.34 -0.44 0.07 -1.89 119.66 125.66 3h45 s GLN 12 Ca 0.12 -0.81 -0.01 0.00 -2.50 0.00 0.00 55.36 52.16 3h45 s GLN 12 Cb -0.22 -4.42 0.02 0.00 -1.64 0.00 0.00 33.01 26.75 3h45 s GLN 12 CO -0.04 -1.95 0.14 0.41 0.50 0.00 0.00 175.29 174.36 3h45 n GLY 13 N 5.53 0.11 0.18 2.59 0.00 -0.38 -1.06 105.19 112.16 3h45 n GLY 13 Ca 0.05 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 3h45 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h45 h THR 14 N -0.64 1.37 0.00 2.61 2.02 -1.95 -3.38 112.91 112.94 3h45 h THR 14 Ca -0.05 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 65.00 3h45 h THR 14 Cb 0.16 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 3h45 h THR 14 CO 0.04 0.64 0.00 0.35 0.37 0.00 0.00 175.52 176.93 3h45 n THR 15 N -3.84 0.00 -3.86 3.16 -2.24 -1.26 -5.00 114.28 101.23 3h45 n THR 15 Ca -0.04 -0.33 -0.08 0.00 -2.27 0.00 0.00 64.05 61.32 3h45 n THR 15 Cb 0.71 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 70.09 3h45 n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h45 s SER 16 N -0.30 -0.22 0.14 3.42 1.04 -1.26 -2.82 113.70 113.70 3h45 s SER 16 Ca 0.00 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 55.85 3h45 s SER 16 Cb 0.00 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 3h45 s SER 16 CO 0.00 -1.19 -0.17 -0.44 0.98 0.00 0.00 173.24 172.42 3h45 s SER 17 N -2.93 2.37 -0.12 7.02 0.01 0.05 -1.25 113.70 118.84 3h45 s SER 17 Ca 0.14 -0.82 -0.10 0.00 1.31 0.00 0.00 55.95 56.48 3h45 s SER 17 Cb -0.03 -0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.12 3h45 s SER 17 CO 0.04 -0.07 0.32 -0.60 0.41 0.00 0.00 173.24 173.34 3h45 s ARG 18 N -2.63 0.35 -0.09 12.44 3.52 -0.79 -0.95 118.95 130.80 3h45 s ARG 18 Ca 0.12 0.50 0.03 0.00 -0.13 0.00 0.00 55.73 56.24 3h45 s ARG 18 Cb -0.06 0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.45 3h45 s ARG 18 CO 0.05 -0.08 -0.18 0.00 -0.81 0.00 0.00 175.30 174.28 3h45 s ALA 19 N 0.47 1.74 0.05 6.12 0.00 -0.34 -0.25 121.76 129.56 3h45 s ALA 19 Ca -0.02 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.29 3h45 s ALA 19 Cb -0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3h45 s ALA 19 CO -0.02 0.15 -0.20 0.42 0.00 0.00 0.00 175.76 176.10 3h45 s ILE 20 N 0.59 1.61 -0.16 0.00 -1.09 -0.69 -1.89 121.20 119.58 3h45 s ILE 20 Ca -0.15 -1.23 -0.02 0.00 -2.23 0.00 0.00 60.65 57.02 3h45 s ILE 20 Cb -0.17 -1.41 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 3h45 s ILE 20 CO 0.05 0.14 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.20 3h45 s ILE 21 N -0.86 3.48 0.27 2.92 1.01 -0.46 -1.09 121.20 126.46 3h45 s ILE 21 Ca 0.07 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.32 3h45 s ILE 21 Cb -0.09 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3h45 s ILE 21 CO 0.02 0.49 -0.06 -0.36 0.00 0.00 0.00 174.94 175.03 3h45 s PHE 22 N 0.56 2.59 0.39 3.97 0.08 -0.03 -1.12 117.98 124.42 3h45 s PHE 22 Ca -0.05 -0.25 0.08 0.00 0.12 0.00 0.00 56.93 56.83 3h45 s PHE 22 Cb -0.15 -1.14 -0.05 0.00 -0.57 0.00 0.00 43.02 41.11 3h45 s PHE 22 CO 0.03 0.64 0.15 0.16 -0.10 0.00 0.00 175.22 176.10 3h45 s ASP 23 N -3.60 4.44 0.41 1.36 -4.77 -0.72 -1.56 116.67 112.23 3h45 s ASP 23 Ca 0.31 -1.01 0.13 0.00 -3.30 0.00 0.00 52.55 48.68 3h45 s ASP 23 Cb -0.06 -0.53 0.71 0.00 -1.09 0.00 0.00 42.92 41.95 3h45 s ASP 23 CO 0.18 -0.45 1.30 -0.09 0.70 0.00 0.00 175.17 176.81 3h45 h ARG 24 N 1.50 0.00 -0.02 2.11 9.65 -1.92 0.31 114.38 126.01 3h45 h ARG 24 Ca -0.43 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 3h45 h ARG 24 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 3h45 h ARG 24 CO 0.68 0.00 -0.28 0.09 2.80 0.00 0.00 179.97 183.26 3h45 n ASN 25 N -2.19 2.22 0.00 -3.80 3.02 -1.26 -4.94 115.26 108.30 3h45 n ASN 25 Ca -0.01 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 3h45 n ASN 25 Cb 0.45 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 3h45 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h45 n GLY 26 N 1.38 0.72 3.79 7.41 0.00 0.11 -5.04 105.19 113.54 3h45 n GLY 26 Ca 0.11 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3h45 n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h45 s LYS 27 N -0.61 4.44 -0.38 1.61 2.47 -1.25 -4.81 119.74 121.21 3h45 s LYS 27 Ca 0.00 1.01 -0.27 0.00 -1.56 0.00 0.00 55.97 55.15 3h45 s LYS 27 Cb 0.00 -3.26 0.02 0.00 -1.46 0.00 0.00 37.83 33.13 3h45 s LYS 27 CO 0.00 0.57 0.98 0.21 0.16 0.00 0.00 175.35 177.27 3h45 s LYS 28 N -1.05 3.84 -0.19 4.03 2.20 -1.26 -1.76 119.74 125.55 3h45 s LYS 28 Ca 0.34 0.63 0.17 0.00 -0.36 0.00 0.00 55.97 56.75 3h45 s LYS 28 Cb -0.22 -3.81 -0.24 0.00 -1.51 0.00 0.00 37.83 32.05 3h45 s LYS 28 CO 0.24 -1.01 0.06 -0.89 -0.36 0.00 0.00 175.35 173.39 3h45 n ILE 29 N 6.09 1.34 -4.01 5.43 2.08 -0.27 -5.00 119.36 125.02 3h45 n ILE 29 Ca 0.08 -0.82 -0.08 0.00 0.56 0.00 0.00 62.75 62.49 3h45 n ILE 29 Cb 0.48 -0.49 -0.10 0.00 -0.75 0.00 0.00 39.64 38.78 3h45 n ILE 29 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3h45 s GLY 30 N -5.41 0.32 -0.15 7.39 0.00 -1.16 -4.40 107.32 103.91 3h45 s GLY 30 Ca -0.10 -0.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.48 3h45 s GLY 30 CO 0.80 -0.95 0.91 -0.45 0.00 0.00 0.00 173.10 173.40 3h45 s SER 31 N -2.26 -0.47 -0.28 1.64 0.15 -1.26 -1.36 113.70 109.86 3h45 s SER 31 Ca -0.03 0.58 -0.22 0.00 0.70 0.00 0.00 55.95 56.98 3h45 s SER 31 Cb -0.00 0.48 0.11 0.00 -1.71 0.00 0.00 66.02 64.89 3h45 s SER 31 CO -0.06 -0.38 0.89 -0.55 1.20 0.00 0.00 173.24 174.34 3h45 s SER 32 N -0.91 -0.61 0.02 5.45 0.15 -0.79 -4.40 113.70 112.61 3h45 s SER 32 Ca -0.03 1.11 0.02 0.00 0.70 0.00 0.00 55.95 57.75 3h45 s SER 32 Cb -0.01 1.17 -0.02 0.00 -1.71 0.00 0.00 66.02 65.45 3h45 s SER 32 CO 0.03 -0.19 -0.08 -1.58 1.20 0.00 0.00 173.24 172.62 3h45 s GLN 33 N 0.65 0.56 -0.18 5.44 0.74 -1.26 -1.20 119.66 124.42 3h45 s GLN 33 Ca -0.02 -0.53 -0.14 0.00 0.05 0.00 0.00 55.36 54.72 3h45 s GLN 33 Cb -0.05 -0.46 0.05 0.00 1.10 0.00 0.00 33.01 33.65 3h45 s GLN 33 CO -0.08 0.11 0.47 0.21 -0.55 0.00 0.00 175.29 175.45 3h45 s LYS 34 N -0.92 0.51 0.51 1.67 2.20 -0.13 -4.96 119.74 118.63 3h45 s LYS 34 Ca -0.03 0.72 -0.08 0.00 -0.36 0.00 0.00 55.97 56.22 3h45 s LYS 34 Cb -0.06 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 3h45 s LYS 34 CO 0.00 -0.10 0.86 -1.21 -0.36 0.00 0.00 175.35 174.55 3h45 s GLU 35 N 0.65 3.62 0.03 4.03 2.02 -1.26 -0.77 118.70 127.02 3h45 s GLU 35 Ca -0.03 0.44 -0.02 0.00 0.02 0.00 0.00 54.97 55.38 3h45 s GLU 35 Cb -0.05 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 3h45 s GLU 35 CO -0.04 -0.28 0.01 -0.59 0.02 0.00 0.00 175.26 174.37 3h45 s PHE 36 N -2.80 0.32 0.23 1.61 -0.12 -1.13 -4.93 117.98 111.16 3h45 s PHE 36 Ca 0.51 -0.68 -0.31 0.00 -0.05 0.00 0.00 56.93 56.41 3h45 s PHE 36 Cb -0.10 -0.23 -0.15 0.00 -0.63 0.00 0.00 43.02 41.90 3h45 s PHE 36 CO 0.44 -0.30 1.14 -2.30 -0.05 0.00 0.00 175.22 174.16 3h45 n PRO 37 N 0.93 1.38 -4.71 1.99 -0.02 -1.26 -4.81 135.00 128.50 3h45 n PRO 37 Ca -0.20 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 3h45 n PRO 37 Cb 0.58 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.97 3h45 n PRO 37 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3h45 s GLN 38 N -0.87 3.01 0.01 -0.52 -1.52 -1.26 -4.61 119.66 113.90 3h45 s GLN 38 Ca 0.66 -0.62 0.06 0.00 -1.95 0.00 0.00 55.36 53.51 3h45 s GLN 38 Cb -0.76 -2.59 -0.03 0.00 -0.22 0.00 0.00 33.01 29.41 3h45 s GLN 38 CO 0.55 0.46 -0.18 0.71 -0.25 0.00 0.00 175.29 176.58 3h45 s TYR 39 N -0.27 2.58 -0.47 0.91 2.02 -0.40 -4.99 117.35 116.73 3h45 s TYR 39 Ca 0.03 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.55 3h45 s TYR 39 Cb -0.13 -1.52 0.23 0.00 -0.40 0.00 0.00 41.96 40.14 3h45 s TYR 39 CO 0.03 0.20 0.52 1.19 -1.57 0.00 0.00 175.55 175.92 3h45 n PHE 40 N 1.87 0.58 -0.22 2.71 3.72 -1.26 -1.17 117.46 123.69 3h45 n PHE 40 Ca -0.16 -3.68 0.03 0.00 -0.05 0.00 0.00 57.45 53.58 3h45 n PHE 40 Cb 0.52 -0.28 0.13 0.00 -0.94 0.00 0.00 39.48 38.92 3h45 n PHE 40 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3h45 h PRO 41 N 4.50 0.21 -4.15 -1.08 0.11 -1.98 -3.44 132.00 126.17 3h45 h PRO 41 Ca 0.15 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.13 3h45 h PRO 41 Cb 0.83 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 31.75 3h45 h PRO 41 CO 0.54 0.14 -0.60 0.15 -0.21 0.00 0.00 178.00 178.01 3h45 s LYS 42 N -6.10 0.70 0.24 1.05 1.02 -1.26 -5.06 119.74 110.33 3h45 s LYS 42 Ca -0.13 -1.18 -0.31 0.00 0.02 0.00 0.00 55.97 54.37 3h45 s LYS 42 Cb 0.20 0.25 -0.13 0.00 -0.52 0.00 0.00 37.83 37.62 3h45 s LYS 42 CO 0.75 -0.17 1.46 0.45 -0.92 0.00 0.00 175.35 176.92 3h45 n SER 43 N 0.05 3.00 0.00 2.83 2.88 -1.26 -0.69 113.62 120.43 3h45 n SER 43 Ca -0.13 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 3h45 n SER 43 Cb 0.62 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 3h45 n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h45 n GLY 44 N 2.33 3.12 3.78 0.46 0.00 -1.26 -4.99 105.19 108.63 3h45 n GLY 44 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3h45 n GLY 44 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h45 s TRP 45 N -1.96 3.77 -0.10 1.61 0.52 0.14 -0.47 118.94 122.45 3h45 s TRP 45 Ca 0.00 1.34 -0.03 0.00 0.02 0.00 0.00 56.10 57.43 3h45 s TRP 45 Cb 0.00 -2.63 0.04 0.00 -1.15 0.00 0.00 33.47 29.74 3h45 s TRP 45 CO 0.00 0.45 0.06 0.08 0.02 0.00 0.00 176.95 177.56 3h45 s VAL 46 N -0.65 0.02 0.23 4.03 1.01 -1.26 -4.40 120.40 119.39 3h45 s VAL 46 Ca 0.32 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.49 3h45 s VAL 46 Cb -0.20 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 3h45 s VAL 46 CO 0.20 -0.00 -0.17 -1.61 0.00 0.00 0.00 175.10 173.52 3h45 s GLU 47 N 2.10 1.47 0.05 2.72 2.02 -0.32 -1.60 118.70 125.13 3h45 s GLU 47 Ca 0.03 -1.65 0.04 0.00 0.02 0.00 0.00 54.97 53.41 3h45 s GLU 47 Cb -0.14 -1.39 -0.02 0.00 0.10 0.00 0.00 34.13 32.68 3h45 s GLU 47 CO -0.06 0.25 -0.11 -1.01 0.02 0.00 0.00 175.26 174.35 3h45 s HIS 48 N -2.75 0.93 -0.40 1.61 3.76 -0.48 -1.28 115.29 116.67 3h45 s HIS 48 Ca 0.25 -0.42 -0.18 0.00 -0.15 0.00 0.00 55.06 54.56 3h45 s HIS 48 Cb -0.03 -0.54 0.01 0.00 1.11 0.00 0.00 32.58 33.14 3h45 s HIS 48 CO 0.10 -0.01 0.48 1.21 -0.85 0.00 0.00 174.74 175.67 3h45 s ASN 49 N -1.40 6.24 0.39 1.40 3.84 -1.26 0.51 114.94 124.65 3h45 s ASN 49 Ca -0.04 -0.45 0.16 0.00 0.21 0.00 0.00 52.86 52.74 3h45 s ASN 49 Cb -0.09 -2.25 1.03 0.00 -0.55 0.00 0.00 41.25 39.39 3h45 s ASN 49 CO 0.01 -0.57 1.80 0.00 -2.79 0.00 0.00 177.10 175.55 3h45 h ALA 50 N 8.68 2.12 -0.12 1.71 0.00 -1.92 0.13 119.26 129.85 3h45 h ALA 50 Ca -0.27 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3h45 h ALA 50 Cb 1.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3h45 h ALA 50 CO 0.80 -0.47 -0.48 -0.91 0.00 0.00 0.00 179.25 178.18 3h45 h ASN 51 N 0.47 0.34 0.04 0.00 2.35 -1.98 -1.35 115.58 115.45 3h45 h ASN 51 Ca 0.55 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 56.01 3h45 h ASN 51 Cb 1.27 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 3h45 h ASN 51 CO -0.27 0.78 -0.40 -0.33 -1.65 0.00 0.00 177.43 175.55 3h45 h GLU 52 N 0.26 0.47 -0.64 0.81 5.08 -1.42 -1.87 114.58 117.27 3h45 h GLU 52 Ca 0.01 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 3h45 h GLU 52 Cb 0.95 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 3h45 h GLU 52 CO 0.08 0.80 0.21 0.82 -1.00 0.00 0.00 179.01 179.91 3h45 h ILE 53 N 0.39 1.25 -0.75 3.13 2.04 -0.95 -0.96 117.51 121.65 3h45 h ILE 53 Ca 0.03 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.08 3h45 h ILE 53 Cb 0.88 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3h45 h ILE 53 CO 0.07 0.32 0.49 -0.25 0.00 0.00 0.00 178.15 178.79 3h45 h TRP 54 N 0.92 0.93 -0.23 1.37 -0.00 -0.83 -1.86 115.95 116.25 3h45 h TRP 54 Ca 0.21 0.02 -0.16 0.00 -0.00 0.00 0.00 58.89 58.96 3h45 h TRP 54 Cb 0.28 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.12 3h45 h TRP 54 CO 0.02 0.57 -0.51 -0.91 -0.00 0.00 0.00 178.44 177.61 3h45 h ASN 55 N 0.99 0.69 -0.18 2.65 2.35 -0.95 0.49 115.58 121.63 3h45 h ASN 55 Ca 0.28 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 3h45 h ASN 55 Cb -0.08 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 3h45 h ASN 55 CO -0.08 1.08 -0.01 0.77 -1.65 0.00 0.00 177.43 177.54 3h45 h SER 56 N 0.49 0.41 -0.06 5.81 4.64 -0.91 0.24 113.55 124.17 3h45 h SER 56 Ca 0.02 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3h45 h SER 56 Cb 1.06 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3h45 h SER 56 CO 0.10 0.49 -0.04 0.58 -0.87 0.00 0.00 176.83 177.08 3h45 h VAL 57 N 0.43 1.35 -0.96 0.95 2.07 -0.91 -0.87 116.25 118.30 3h45 h VAL 57 Ca 0.09 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.58 3h45 h VAL 57 Cb 0.30 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.95 3h45 h VAL 57 CO 0.01 0.31 0.61 1.56 0.02 0.00 0.00 177.57 180.08 3h45 h GLN 58 N -0.26 1.03 0.95 1.57 4.20 -0.34 -0.99 115.11 121.26 3h45 h GLN 58 Ca 0.01 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3h45 h GLN 58 Cb 0.51 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 28.07 3h45 h GLN 58 CO 0.01 0.68 -0.45 0.77 -0.67 0.00 0.00 178.83 179.17 3h45 h SER 59 N 1.06 -1.08 -0.11 1.46 0.02 -0.33 -2.04 113.55 112.54 3h45 h SER 59 Ca 0.44 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.44 3h45 h SER 59 Cb 0.27 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3h45 h SER 59 CO -0.20 -0.74 0.08 -0.37 -1.14 0.00 0.00 176.83 174.46 3h45 h VAL 60 N -1.33 0.98 0.20 2.27 -1.51 -0.93 0.27 116.25 116.19 3h45 h VAL 60 Ca -0.13 -0.02 -0.01 0.00 -1.23 0.00 0.00 66.70 65.31 3h45 h VAL 60 Cb 0.97 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 3h45 h VAL 60 CO 0.21 0.01 -0.10 0.40 -1.23 0.00 0.00 177.57 176.87 3h45 h ILE 61 N 0.07 0.84 0.14 7.19 2.04 -1.07 0.14 117.51 126.86 3h45 h ILE 61 Ca 0.05 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3h45 h ILE 61 Cb 0.12 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3h45 h ILE 61 CO -0.01 0.05 -0.07 0.00 0.00 0.00 0.00 178.15 178.12 3h45 h ALA 62 N 0.42 -0.20 -0.98 1.87 0.00 -0.46 -2.73 119.26 117.19 3h45 h ALA 62 Ca -0.03 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.98 3h45 h ALA 62 Cb 0.28 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 3h45 h ALA 62 CO 0.05 -0.61 0.62 0.78 0.00 0.00 0.00 179.25 180.08 3h45 h GLY 63 N -0.20 1.58 1.04 0.00 0.00 -0.42 -0.62 103.07 104.45 3h45 h GLY 63 Ca -0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 3h45 h GLY 63 CO 0.03 0.10 0.35 0.00 0.00 0.00 0.00 176.54 177.02 3h45 h ALA 64 N 1.57 1.05 0.59 3.60 0.00 -0.69 -0.81 119.26 124.57 3h45 h ALA 64 Ca 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3h45 h ALA 64 Cb 0.63 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3h45 h ALA 64 CO -0.28 0.65 -0.28 0.74 0.00 0.00 0.00 179.25 180.08 3h45 h PHE 65 N 1.17 -0.73 -0.74 0.00 0.04 -0.88 -2.48 116.94 113.31 3h45 h PHE 65 Ca 0.27 -0.02 0.14 0.00 2.80 0.00 0.00 57.97 61.16 3h45 h PHE 65 Cb 0.17 0.24 -0.14 0.00 2.20 0.00 0.00 35.95 38.43 3h45 h PHE 65 CO 0.02 -0.42 -0.27 0.82 -0.60 0.00 0.00 178.31 177.85 3h45 h ILE 66 N -1.16 0.17 -0.65 -0.55 2.04 -1.15 0.30 117.51 116.52 3h45 h ILE 66 Ca -0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3h45 h ILE 66 Cb 0.64 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3h45 h ILE 66 CO 0.13 0.00 0.31 -0.08 0.00 0.00 0.00 178.15 178.52 3h45 h GLU 67 N -0.06 0.93 0.00 2.37 4.22 -1.20 -3.08 114.58 117.76 3h45 h GLU 67 Ca 0.32 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.62 3h45 h GLU 67 Cb 0.57 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3h45 h GLU 67 CO -0.78 0.74 -0.41 0.66 -2.18 0.00 0.00 179.01 177.03 3h45 h SER 68 N 0.89 0.00 0.00 1.04 4.64 -0.79 -3.48 113.55 115.85 3h45 h SER 68 Ca 0.22 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3h45 h SER 68 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3h45 h SER 68 CO -0.03 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3h45 n GLY 69 N 1.29 0.82 3.88 -0.77 0.00 0.96 -4.94 105.19 106.43 3h45 n GLY 69 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3h45 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h45 s ILE 70 N -3.41 4.08 0.08 -0.61 1.01 -1.21 -5.02 121.20 116.13 3h45 s ILE 70 Ca 0.00 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.26 3h45 s ILE 70 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3h45 s ILE 70 CO 0.00 -0.82 -0.12 -0.13 0.00 0.00 0.00 174.94 173.87 3h45 s ARG 71 N -5.19 2.13 0.55 2.79 0.52 -1.26 -4.70 118.95 113.79 3h45 s ARG 71 Ca 0.56 -1.00 0.27 0.00 -0.52 0.00 0.00 55.73 55.04 3h45 s ARG 71 Cb -0.11 -2.29 1.45 0.00 0.52 0.00 0.00 34.95 34.53 3h45 s ARG 71 CO 0.51 0.52 1.98 -1.35 0.02 0.00 0.00 175.30 176.99 3h45 h PRO 72 N 3.90 0.00 0.00 3.54 0.11 -1.87 0.35 132.00 138.03 3h45 h PRO 72 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3h45 h PRO 72 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3h45 h PRO 72 CO 0.51 0.00 -0.05 1.49 -0.21 0.00 0.00 178.00 179.74 3h45 h GLU 73 N 0.00 0.00 -0.03 1.05 4.81 -1.94 -2.68 114.58 115.79 3h45 h GLU 73 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3h45 h GLU 73 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3h45 h GLU 73 CO -0.00 0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.33 3h45 n ALA 74 N -2.16 2.53 -2.70 2.92 0.00 0.12 -4.56 120.51 116.66 3h45 n ALA 74 Ca -0.01 -0.55 -0.40 0.00 0.00 0.00 0.00 53.44 52.48 3h45 n ALA 74 Cb 0.22 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 3h45 n ALA 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h45 s ILE 75 N -1.99 5.01 0.03 0.00 1.09 -1.01 -2.03 121.20 122.29 3h45 s ILE 75 Ca 0.34 1.53 -0.06 0.00 -1.10 0.00 0.00 60.65 61.36 3h45 s ILE 75 Cb 0.21 -4.08 -0.29 0.00 -1.06 0.00 0.00 42.46 37.23 3h45 s ILE 75 CO 0.32 0.25 0.97 0.00 -0.10 0.00 0.00 174.94 176.38 3h45 h ALA 76 N 6.70 0.13 -2.45 9.38 0.00 -0.37 -3.46 119.26 129.18 3h45 h ALA 76 Ca -0.41 -0.99 0.15 0.00 0.00 0.00 0.00 54.91 53.66 3h45 h ALA 76 Cb 1.20 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 3h45 h ALA 76 CO 0.75 1.00 0.44 0.20 0.00 0.00 0.00 179.25 181.64 3h45 s GLY 77 N -4.80 -0.25 -0.06 0.00 0.00 -1.25 -4.46 107.32 96.50 3h45 s GLY 77 Ca -0.08 0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.84 3h45 s GLY 77 CO 0.88 0.03 -0.15 -0.42 0.00 0.00 0.00 173.10 173.44 3h45 s ILE 78 N -3.37 1.32 -0.09 0.90 1.01 -0.71 -1.82 121.20 118.43 3h45 s ILE 78 Ca 0.11 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 3h45 s ILE 78 Cb -0.02 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 3h45 s ILE 78 CO 0.01 0.39 -0.07 -0.83 0.00 0.00 0.00 174.94 174.45 3h45 s GLY 79 N 0.37 1.69 -0.14 6.18 0.00 0.29 -1.49 107.32 114.20 3h45 s GLY 79 Ca -0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 3h45 s GLY 79 CO 0.03 -0.48 -0.13 -0.42 0.00 0.00 0.00 173.10 172.11 3h45 s ILE 80 N -0.43 2.99 0.01 0.90 -1.09 0.22 0.15 121.20 123.96 3h45 s ILE 80 Ca 0.06 -0.67 0.04 0.00 -2.23 0.00 0.00 60.65 57.85 3h45 s ILE 80 Cb -0.12 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.48 3h45 s ILE 80 CO 0.02 0.51 -0.11 0.28 -1.23 0.00 0.00 174.94 174.42 3h45 s THR 81 N 0.56 0.85 0.14 2.92 -1.32 0.85 -2.57 115.64 117.07 3h45 s THR 81 Ca -0.08 -0.69 -0.06 0.00 -1.21 0.00 0.00 61.69 59.65 3h45 s THR 81 Cb -0.16 -0.76 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 3h45 s THR 81 CO 0.04 0.07 0.19 0.54 -2.21 0.00 0.00 174.62 173.25 3h45 s ASN 82 N -0.70 0.15 -0.07 8.08 4.22 -1.20 -0.75 114.94 124.68 3h45 s ASN 82 Ca 0.01 -0.98 -0.30 0.00 -2.14 0.00 0.00 52.86 49.46 3h45 s ASN 82 Cb -0.06 0.37 -0.05 0.00 1.28 0.00 0.00 41.25 42.80 3h45 s ASN 82 CO 0.00 -0.82 1.60 0.00 -2.04 0.00 0.00 177.10 175.85 3h45 s GLN 83 N -3.99 4.18 1.13 3.55 -2.07 -0.22 0.06 119.66 122.30 3h45 s GLN 83 Ca 0.19 2.11 -0.18 0.00 -1.82 0.00 0.00 55.36 55.66 3h45 s GLN 83 Cb 0.05 -3.96 0.26 0.00 -1.09 0.00 0.00 33.01 28.27 3h45 s GLN 83 CO -0.00 -0.83 1.14 1.03 -1.32 0.00 0.00 175.29 175.31 3h45 s ARG 84 N 3.98 -0.66 0.00 9.60 0.52 -1.26 -4.32 118.95 126.81 3h45 s ARG 84 Ca 0.71 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.86 3h45 s ARG 84 Cb -0.32 -1.66 0.00 0.00 0.52 0.00 0.00 34.95 33.49 3h45 s ARG 84 CO 0.27 -3.34 0.00 0.39 0.02 0.00 0.00 175.30 172.65 3h45 n GLU 85 N -4.50 0.00 -1.24 3.54 4.71 -1.26 -4.40 120.64 117.49 3h45 n GLU 85 Ca 0.12 0.00 -0.48 0.00 -0.01 0.00 0.00 57.16 56.79 3h45 n GLU 85 Cb 0.59 -0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.95 3h45 n GLU 85 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3h45 n THR 86 N 0.00 0.00 -4.50 2.62 -1.04 -1.26 -4.16 114.28 105.94 3h45 n THR 86 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 3h45 n THR 86 Cb 0.00 -0.20 -0.11 0.00 -1.82 0.00 0.00 70.33 68.19 3h45 n THR 86 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3h45 s THR 87 N 1.21 3.87 -0.04 12.58 2.01 0.86 -3.53 115.64 132.60 3h45 s THR 87 Ca 0.75 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 62.38 3h45 s THR 87 Cb -1.05 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 68.82 3h45 s THR 87 CO 0.53 0.56 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.20 3h45 s VAL 88 N -0.35 1.17 -0.14 3.82 1.01 -0.80 -1.47 120.40 123.64 3h45 s VAL 88 Ca 0.06 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3h45 s VAL 88 Cb -0.12 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.24 3h45 s VAL 88 CO 0.02 0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 174.64 3h45 s VAL 89 N 0.24 1.53 0.20 2.92 1.01 -1.26 -1.28 120.40 123.76 3h45 s VAL 89 Ca -0.06 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3h45 s VAL 89 Cb -0.12 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3h45 s VAL 89 CO 0.02 0.45 0.01 -1.66 0.00 0.00 0.00 175.10 173.92 3h45 s TRP 90 N 1.39 1.36 -0.03 5.22 -2.14 -0.32 -0.94 118.94 123.48 3h45 s TRP 90 Ca 0.02 -1.01 -0.26 0.00 2.66 0.00 0.00 56.10 57.51 3h45 s TRP 90 Cb -0.13 -0.78 -0.03 0.00 -3.10 0.00 0.00 33.47 29.42 3h45 s TRP 90 CO -0.09 -0.17 0.83 0.34 -2.66 0.00 0.00 176.95 175.20 3h45 s ASP 91 N -3.23 7.17 0.11 -2.66 2.15 -0.47 -0.51 116.67 119.23 3h45 s ASP 91 Ca 0.27 1.41 -0.33 0.00 0.43 0.00 0.00 52.55 54.34 3h45 s ASP 91 Cb 0.06 -2.49 -0.11 0.00 -0.30 0.00 0.00 42.92 40.08 3h45 s ASP 91 CO 0.07 -0.18 1.57 0.11 -0.17 0.00 0.00 175.17 176.57 3h45 h LYS 92 N 6.75 -0.65 0.39 4.34 1.57 -1.04 0.48 116.57 128.42 3h45 h LYS 92 Ca -0.41 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 3h45 h LYS 92 Cb 1.21 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3h45 h LYS 92 CO 0.75 -0.43 -0.19 1.15 -0.57 0.00 0.00 179.45 180.16 3h45 h THR 93 N -0.67 0.48 -0.02 -0.16 2.02 -1.95 -3.33 112.91 109.28 3h45 h THR 93 Ca 0.02 -0.60 -0.17 0.00 0.77 0.00 0.00 66.41 66.43 3h45 h THR 93 Cb 0.71 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3h45 h THR 93 CO -0.30 0.09 -0.75 0.71 0.37 0.00 0.00 175.52 175.64 3h45 h THR 94 N -0.92 1.47 -0.32 3.16 1.35 -1.96 -3.47 112.91 112.21 3h45 h THR 94 Ca -0.05 -2.38 -0.10 0.00 -0.55 0.00 0.00 66.41 63.33 3h45 h THR 94 Cb 0.55 2.28 -0.03 0.00 -1.73 0.00 0.00 68.15 69.22 3h45 h THR 94 CO 0.09 0.69 -0.10 0.61 -0.25 0.00 0.00 175.52 176.56 3h45 n GLY 95 N 0.59 0.65 3.78 5.82 0.00 0.17 -5.00 105.19 111.19 3h45 n GLY 95 Ca -0.02 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 3h45 n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h45 s GLN 96 N -2.76 3.95 0.41 1.61 -1.52 -1.25 -4.78 119.66 115.32 3h45 s GLN 96 Ca 0.00 -0.18 -0.25 0.00 -1.95 0.00 0.00 55.36 52.98 3h45 s GLN 96 Cb 0.00 -3.34 -0.08 0.00 -0.22 0.00 0.00 33.01 29.36 3h45 s GLN 96 CO 0.00 0.46 1.23 -2.14 -0.25 0.00 0.00 175.29 174.58 3h45 s PRO 97 N -0.09 3.95 0.17 2.91 0.02 -1.26 -1.37 135.00 139.32 3h45 s PRO 97 Ca 0.11 1.97 0.23 0.00 0.02 0.00 0.00 61.00 63.32 3h45 s PRO 97 Cb -0.11 -2.66 0.89 0.00 0.02 0.00 0.00 34.50 32.64 3h45 s PRO 97 CO 0.00 -0.45 1.69 0.44 -0.33 0.00 0.00 177.00 178.35 3h45 n ILE 98 N -0.01 0.74 -3.91 2.83 -5.35 -0.12 -4.89 119.36 108.66 3h45 n ILE 98 Ca 0.05 0.11 0.04 0.00 -0.27 0.00 0.00 62.75 62.68 3h45 n ILE 98 Cb 0.45 -0.95 0.01 0.00 -1.74 0.00 0.00 39.64 37.41 3h45 n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h45 s ALA 99 N -3.18 -2.69 0.71 -1.28 0.00 -1.26 -5.03 121.76 109.04 3h45 s ALA 99 Ca 0.07 0.35 -0.16 0.00 0.00 0.00 0.00 51.96 52.22 3h45 s ALA 99 Cb 0.11 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 3h45 s ALA 99 CO 0.42 -1.15 0.85 0.09 0.00 0.00 0.00 175.76 175.97 3h45 n ASN 100 N -0.87 0.05 -4.77 0.00 3.02 -1.26 -4.82 115.26 106.60 3h45 n ASN 100 Ca 0.02 0.66 -0.38 0.00 -0.03 0.00 0.00 54.58 54.84 3h45 n ASN 100 Cb 0.60 -1.35 -0.06 0.00 -0.61 0.00 0.00 39.78 38.35 3h45 n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h45 s ALA 101 N -1.82 3.33 -0.25 5.41 0.00 0.18 -4.90 121.76 123.72 3h45 s ALA 101 Ca 0.71 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.99 3h45 s ALA 101 Cb -0.35 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3h45 s ALA 101 CO 0.52 0.23 0.47 0.42 0.00 0.00 0.00 175.76 177.40 3h45 s ILE 102 N -1.35 5.11 0.43 0.00 1.01 -0.54 -1.39 121.20 124.47 3h45 s ILE 102 Ca 0.43 0.80 -0.23 0.00 0.00 0.00 0.00 60.65 61.66 3h45 s ILE 102 Cb -0.22 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 3h45 s ILE 102 CO 0.27 0.13 1.06 -0.69 0.00 0.00 0.00 174.94 175.71 3h45 s VAL 103 N 2.04 3.69 0.54 2.92 1.01 -0.63 -0.10 120.40 129.87 3h45 s VAL 103 Ca 0.20 1.21 0.28 0.00 0.00 0.00 0.00 61.98 63.67 3h45 s VAL 103 Cb -0.16 -3.59 0.43 0.00 0.00 0.00 0.00 36.38 33.07 3h45 s VAL 103 CO 0.09 -0.07 1.95 4.11 0.00 0.00 0.00 175.10 181.18 3h45 h TRP 104 N 2.17 0.00 -0.16 5.22 5.08 -1.84 -0.45 115.95 125.96 3h45 h TRP 104 Ca -0.49 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.42 3h45 h TRP 104 Cb 1.22 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.37 3h45 h TRP 104 CO 0.57 0.00 -0.20 1.96 -1.28 0.00 0.00 178.44 179.49 3h45 h GLN 105 N 0.00 0.28 -7.04 0.12 4.20 -1.89 -3.41 115.11 107.36 3h45 h GLN 105 Ca 0.32 -0.08 -0.55 0.00 0.06 0.00 0.00 58.65 58.40 3h45 h GLN 105 Cb 1.30 -0.03 0.13 0.00 0.30 0.00 0.00 27.48 29.18 3h45 h GLN 105 CO -0.00 0.48 0.61 0.45 -0.67 0.00 0.00 178.83 179.69 3h45 s SER 106 N -6.86 5.33 -0.15 1.46 0.15 -0.18 -4.84 113.70 108.61 3h45 s SER 106 Ca -0.05 2.75 0.17 0.00 0.70 0.00 0.00 55.95 59.52 3h45 s SER 106 Cb 0.15 -2.64 0.34 0.00 -1.71 0.00 0.00 66.02 62.17 3h45 s SER 106 CO 0.75 -1.53 1.20 0.54 1.20 0.00 0.00 173.24 175.40 3h45 n ARG 107 N -0.97 1.53 0.26 5.44 5.12 0.39 -4.59 116.66 123.84 3h45 n ARG 107 Ca 0.10 -2.74 0.17 0.00 -1.93 0.00 0.00 57.85 53.44 3h45 n ARG 107 Cb 0.45 -1.57 0.69 0.00 -1.16 0.00 0.00 32.46 30.87 3h45 n ARG 107 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 3h45 h GLN 108 N 0.39 0.00 -0.60 5.56 3.07 -1.93 -2.36 115.11 119.25 3h45 h GLN 108 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 3h45 h GLN 108 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.63 3h45 h GLN 108 CO 0.04 0.00 0.00 -1.13 0.09 0.00 0.00 178.83 177.83 3h45 n SER 109 N -2.95 3.83 -0.30 0.06 3.41 -1.26 -4.59 113.62 111.83 3h45 n SER 109 Ca 0.01 -2.12 0.04 0.00 -0.26 0.00 0.00 58.87 56.53 3h45 n SER 109 Cb 0.28 -0.44 0.18 0.00 -0.26 0.00 0.00 64.21 63.97 3h45 n SER 109 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h45 h SER 110 N 3.54 0.67 -0.97 4.04 4.64 -1.77 -1.64 113.55 122.06 3h45 h SER 110 Ca 0.00 0.06 0.15 0.00 -0.47 0.00 0.00 61.79 61.53 3h45 h SER 110 Cb 1.02 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 62.96 3h45 h SER 110 CO 0.05 0.37 0.61 -0.65 -0.87 0.00 0.00 176.83 176.34 3h45 h PRO 111 N 0.78 0.78 -0.32 4.77 0.11 -1.83 0.48 132.00 136.78 3h45 h PRO 111 Ca 0.42 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.36 3h45 h PRO 111 Cb 0.43 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3h45 h PRO 111 CO -0.27 0.52 -0.27 0.82 -0.21 0.00 0.00 178.00 178.59 3h45 h ILE 112 N 0.81 1.29 0.09 4.15 2.04 -1.67 -1.76 117.51 122.46 3h45 h ILE 112 Ca 0.51 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 3h45 h ILE 112 Cb 0.72 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3h45 h ILE 112 CO -0.28 0.46 -0.06 0.00 0.00 0.00 0.00 178.15 178.27 3h45 h ALA 113 N 0.73 -0.14 -0.37 1.87 0.00 -0.23 -2.28 119.26 118.84 3h45 h ALA 113 Ca 0.06 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3h45 h ALA 113 Cb 0.84 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 3h45 h ALA 113 CO 0.07 -0.58 -0.17 -0.44 0.00 0.00 0.00 179.25 178.12 3h45 h ASP 114 N -0.15 -0.59 -0.27 0.00 3.32 -0.10 -1.86 116.42 116.77 3h45 h ASP 114 Ca -0.00 0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.25 3h45 h ASP 114 Cb 0.13 0.32 -0.08 0.00 0.22 0.00 0.00 39.33 39.93 3h45 h ASP 114 CO 0.00 -0.21 -0.28 -0.61 -1.72 0.00 0.00 179.24 176.43 3h45 h GLN 115 N -0.11 -0.26 -0.92 3.56 5.75 -1.08 0.16 115.11 122.21 3h45 h GLN 115 Ca 0.18 0.02 0.23 0.00 -0.15 0.00 0.00 58.65 58.93 3h45 h GLN 115 Cb 0.39 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.93 3h45 h GLN 115 CO -0.44 -0.18 0.62 -0.07 -2.65 0.00 0.00 178.83 176.11 3h45 h LEU 116 N -0.27 0.33 -0.06 -2.39 3.38 -0.77 0.43 115.31 115.95 3h45 h LEU 116 Ca 0.14 0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.92 3h45 h LEU 116 Cb 0.50 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.24 3h45 h LEU 116 CO -0.42 0.12 -0.87 0.11 0.09 0.00 0.00 178.44 177.46 3h45 h LYS 117 N 0.32 0.70 -0.86 1.13 1.57 -0.43 -1.81 116.57 117.19 3h45 h LYS 117 Ca 0.48 -0.67 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3h45 h LYS 117 Cb 1.34 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.78 3h45 h LYS 117 CO -0.16 1.26 0.49 0.28 -0.57 0.00 0.00 179.45 180.76 3h45 h VAL 118 N 0.38 1.25 0.00 0.50 2.07 0.20 -0.31 116.25 120.34 3h45 h VAL 118 Ca -0.09 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3h45 h VAL 118 Cb 1.52 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3h45 h VAL 118 CO 0.17 0.27 0.00 0.47 0.02 0.00 0.00 177.57 178.50 3h45 n ASP 119 N -4.39 0.00 -2.45 0.57 8.00 0.12 -4.91 116.55 113.50 3h45 n ASP 119 Ca 0.09 -1.72 -0.18 0.00 0.71 0.00 0.00 54.79 53.69 3h45 n ASP 119 Cb 0.08 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3h45 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h45 n GLY 120 N 0.42 -0.26 0.59 0.44 0.00 -0.13 -4.94 105.19 101.31 3h45 n GLY 120 Ca 0.01 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3h45 n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h45 n HIS 121 N -4.26 0.00 -0.24 1.61 8.25 -0.70 -4.56 115.22 115.32 3h45 n HIS 121 Ca -0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.29 3h45 n HIS 121 Cb 0.59 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.64 3h45 n HIS 121 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3h45 h THR 122 N 2.91 0.06 -0.49 1.59 2.02 -1.86 -0.40 112.91 116.76 3h45 h THR 122 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3h45 h THR 122 Cb 0.70 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3h45 h THR 122 CO 0.00 0.00 0.21 -0.33 0.37 0.00 0.00 175.52 175.77 3h45 h GLU 123 N -0.20 0.72 0.19 6.66 3.07 -1.98 -2.49 114.58 120.56 3h45 h GLU 123 Ca 0.19 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3h45 h GLU 123 Cb 0.55 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3h45 h GLU 123 CO -0.74 0.63 -0.13 1.98 -1.40 0.00 0.00 179.01 179.36 3h45 h MET 124 N 0.65 -0.31 -0.87 2.33 4.05 -1.68 -0.88 114.93 118.22 3h45 h MET 124 Ca 0.16 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.67 3h45 h MET 124 Cb 0.17 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.98 3h45 h MET 124 CO -0.02 -0.21 0.54 0.82 0.23 0.00 0.00 176.91 178.28 3h45 h ILE 125 N -0.32 1.04 -0.42 1.77 1.08 -1.08 -2.55 117.51 117.02 3h45 h ILE 125 Ca -0.01 -0.34 -0.14 0.00 -0.39 0.00 0.00 64.86 63.98 3h45 h ILE 125 Cb 0.28 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 3h45 h ILE 125 CO 0.00 0.18 -0.28 -0.74 -0.69 0.00 0.00 178.15 176.62 3h45 h HIS 126 N 0.98 1.04 -0.20 1.37 2.76 -1.14 0.36 115.15 120.31 3h45 h HIS 126 Ca 0.38 -0.27 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 3h45 h HIS 126 Cb 0.18 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3h45 h HIS 126 CO -0.03 1.07 -0.06 0.93 -1.30 0.00 0.00 177.93 178.54 3h45 h GLU 127 N 0.76 0.30 0.11 5.26 5.08 -0.78 -0.09 114.58 125.23 3h45 h GLU 127 Ca 0.09 -0.06 -0.36 0.00 -1.00 0.00 0.00 59.36 58.03 3h45 h GLU 127 Cb 0.84 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3h45 h GLU 127 CO 0.07 0.38 -1.95 1.63 -1.00 0.00 0.00 179.01 178.14 3h45 n LYS 128 N -4.32 0.75 0.00 2.33 5.02 -1.00 -4.60 118.16 116.34 3h45 n LYS 128 Ca -0.00 0.27 0.06 0.00 -2.02 0.00 0.00 58.31 56.62 3h45 n LYS 128 Cb 0.23 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 3h45 n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3h45 n THR 129 N -3.43 0.00 -0.94 -0.18 -2.24 0.10 -0.83 114.28 106.76 3h45 n THR 129 Ca -0.30 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3h45 n THR 129 Cb 1.05 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.31 3h45 n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h45 n GLY 130 N 1.21 0.34 3.85 3.38 0.00 -0.05 -4.76 105.19 109.17 3h45 n GLY 130 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3h45 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h45 s LEU 131 N 0.00 3.16 0.13 0.99 1.43 -1.26 0.10 118.68 123.23 3h45 s LEU 131 Ca 0.00 -0.94 0.05 0.00 -1.03 0.00 0.00 54.13 52.21 3h45 s LEU 131 Cb 0.00 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3h45 s LEU 131 CO 0.00 -0.75 0.03 -0.69 0.23 0.00 0.00 176.35 175.17 3h45 s VAL 132 N -2.58 4.05 -0.26 -1.59 1.01 -1.26 -3.66 120.40 116.11 3h45 s VAL 132 Ca 0.43 -1.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 3h45 s VAL 132 Cb -0.01 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.38 3h45 s VAL 132 CO 0.25 0.01 1.15 -0.63 0.00 0.00 0.00 175.10 175.89 3h45 s ILE 133 N -1.52 4.43 -0.01 2.22 1.01 -1.26 -4.95 121.20 121.12 3h45 s ILE 133 Ca 0.27 1.68 -0.29 0.00 0.00 0.00 0.00 60.65 62.32 3h45 s ILE 133 Cb -0.11 -4.24 0.08 0.00 0.01 0.00 0.00 42.46 38.20 3h45 s ILE 133 CO 0.20 -0.33 0.75 -0.62 0.00 0.00 0.00 174.94 174.93 3h45 s ASP 134 N 1.84 -0.54 0.00 3.58 2.15 -1.26 -4.95 116.67 117.48 3h45 s ASP 134 Ca 0.49 0.38 0.08 0.00 0.43 0.00 0.00 52.55 53.94 3h45 s ASP 134 Cb -0.16 0.49 0.38 0.00 -0.30 0.00 0.00 42.92 43.33 3h45 s ASP 134 CO 0.14 -0.65 1.24 0.00 -0.17 0.00 0.00 175.17 175.73 3h45 n ALA 135 N 0.39 1.44 -0.13 3.66 0.00 -1.26 -2.74 120.51 121.87 3h45 n ALA 135 Ca -0.15 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.36 3h45 n ALA 135 Cb 0.60 -1.14 0.45 0.00 0.00 0.00 0.00 19.45 19.36 3h45 n ALA 135 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3h45 h TYR 136 N 0.00 0.55 -2.99 0.00 3.20 -1.81 -3.44 116.97 112.49 3h45 h TYR 136 Ca 0.00 0.01 -0.46 0.00 3.14 0.00 0.00 58.73 61.42 3h45 h TYR 136 Cb 0.13 -0.18 0.04 0.00 1.54 0.00 0.00 36.73 38.25 3h45 h TYR 136 CO 0.00 0.26 -0.01 -0.06 -1.64 0.00 0.00 178.16 176.71 3h45 s PHE 137 N -5.49 3.21 0.25 -3.82 0.08 -1.11 -4.70 117.98 106.40 3h45 s PHE 137 Ca -0.08 0.33 -0.05 0.00 0.12 0.00 0.00 56.93 57.25 3h45 s PHE 137 Cb 0.20 -2.46 0.28 0.00 -0.57 0.00 0.00 43.02 40.46 3h45 s PHE 137 CO 0.76 -0.52 1.83 0.77 -0.10 0.00 0.00 175.22 177.95 3h45 h SER 138 N 0.21 0.99 -0.36 1.36 0.02 -1.64 -3.33 113.55 110.81 3h45 h SER 138 Ca -0.46 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.39 3h45 h SER 138 Cb 1.26 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 3h45 h SER 138 CO 0.58 0.87 -0.21 0.00 -1.14 0.00 0.00 176.83 176.93 3h45 n ALA 139 N -2.44 -0.23 0.18 3.77 0.00 0.12 -0.65 120.51 121.27 3h45 n ALA 139 Ca 0.07 0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.90 3h45 n ALA 139 Cb 0.17 0.25 0.61 0.00 0.00 0.00 0.00 19.45 20.48 3h45 n ALA 139 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3h45 h THR 140 N 0.00 0.98 -0.39 0.00 1.35 -1.86 -2.13 112.91 110.87 3h45 h THR 140 Ca 0.06 -0.03 -0.09 0.00 -0.55 0.00 0.00 66.41 65.79 3h45 h THR 140 Cb 0.15 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 3h45 h THR 140 CO -0.34 0.02 -0.13 0.11 -0.25 0.00 0.00 175.52 174.94 3h45 h LYS 141 N 0.10 0.71 -0.14 4.72 1.57 -0.99 -0.97 116.57 121.56 3h45 h LYS 141 Ca 0.06 -0.23 -0.17 0.00 -1.87 0.00 0.00 60.65 58.44 3h45 h LYS 141 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3h45 h LYS 141 CO -0.01 0.81 -0.62 0.28 -0.57 0.00 0.00 179.45 179.34 3h45 h VAL 142 N 0.64 1.34 0.84 0.50 2.07 -0.55 -2.02 116.25 119.07 3h45 h VAL 142 Ca 0.11 -1.92 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 3h45 h VAL 142 Cb 0.58 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3h45 h VAL 142 CO 0.04 0.59 -0.46 -0.09 0.02 0.00 0.00 177.57 177.67 3h45 h ARG 143 N 0.36 -1.15 -0.80 1.57 1.12 -1.23 -0.90 114.38 113.35 3h45 h ARG 143 Ca -0.01 0.08 0.14 0.00 -1.11 0.00 0.00 59.98 59.08 3h45 h ARG 143 Cb 1.17 0.26 -0.14 0.00 -0.01 0.00 0.00 29.97 31.25 3h45 h ARG 143 CO 0.11 -0.77 -0.31 2.35 -3.11 0.00 0.00 179.97 178.24 3h45 h TRP 144 N -1.20 -0.82 -0.21 2.20 7.01 -1.10 0.34 115.95 122.17 3h45 h TRP 144 Ca -0.11 0.08 0.01 0.00 2.11 0.00 0.00 58.89 60.98 3h45 h TRP 144 Cb 0.94 0.48 -0.01 0.00 -2.10 0.00 0.00 29.16 28.47 3h45 h TRP 144 CO -0.06 -0.38 0.12 -0.07 -2.79 0.00 0.00 178.44 175.26 3h45 h LEU 145 N -0.06 0.19 0.00 0.65 3.38 -1.21 -0.24 115.31 118.02 3h45 h LEU 145 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3h45 h LEU 145 Cb 0.59 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3h45 h LEU 145 CO -0.84 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.02 3h45 n LEU 146 N -4.97 0.00 -0.07 1.67 4.77 0.39 -1.48 117.00 117.31 3h45 n LEU 146 Ca -0.03 0.44 -0.15 0.00 -0.03 0.00 0.00 56.01 56.24 3h45 n LEU 146 Cb 0.04 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 3h45 n LEU 146 CO 0.33 -0.28 -1.01 0.47 -1.33 0.00 0.00 177.39 175.56 3h45 n ASP 147 N -1.44 1.24 -0.00 -1.43 9.92 0.91 -4.06 116.55 121.69 3h45 n ASP 147 Ca 0.03 0.09 0.06 0.00 -0.53 0.00 0.00 54.79 54.44 3h45 n ASP 147 Cb 0.11 -0.05 -0.08 0.00 -0.64 0.00 0.00 41.12 40.46 3h45 n ASP 147 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3h45 n ASN 148 N -3.12 1.70 -4.38 -2.24 3.02 -0.25 -4.83 115.26 105.15 3h45 n ASN 148 Ca -0.33 -0.25 -0.45 0.00 -0.03 0.00 0.00 54.58 53.52 3h45 n ASN 148 Cb 1.06 1.37 -0.04 0.00 -0.61 0.00 0.00 39.78 41.57 3h45 n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h45 s ILE 149 N -2.60 4.96 0.06 2.41 1.09 -0.55 -5.00 121.20 121.57 3h45 s ILE 149 Ca -0.02 -1.43 -0.37 0.00 -1.10 0.00 0.00 60.65 57.73 3h45 s ILE 149 Cb 0.08 -4.55 -0.18 0.00 -1.06 0.00 0.00 42.46 36.74 3h45 s ILE 149 CO 0.50 -1.19 1.09 -0.62 -0.10 0.00 0.00 174.94 174.61 3h45 n GLU 150 N 5.89 0.39 0.00 2.79 4.71 -1.26 -0.29 120.64 132.87 3h45 n GLU 150 Ca 0.03 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 3h45 n GLU 150 Cb 0.45 -1.63 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 3h45 n GLU 150 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3h45 n GLY 151 N 1.84 2.80 0.40 0.62 0.00 -1.26 -4.92 105.19 104.66 3h45 n GLY 151 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 3h45 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h45 h ALA 152 N 0.00 -1.03 -0.79 4.61 0.00 -0.97 -1.06 119.26 120.01 3h45 h ALA 152 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.92 3h45 h ALA 152 Cb 0.00 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 18.33 3h45 h ALA 152 CO 0.00 -1.08 -0.29 0.37 0.00 0.00 0.00 179.25 178.26 3h45 h GLN 153 N -0.75 -0.05 -0.60 0.00 5.75 -1.78 0.21 115.11 117.88 3h45 h GLN 153 Ca -0.04 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 3h45 h GLN 153 Cb 0.67 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.19 3h45 h GLN 153 CO -0.10 -0.03 0.34 1.49 -2.65 0.00 0.00 178.83 177.88 3h45 h GLU 154 N -0.05 0.64 -0.28 1.69 4.81 -1.88 0.29 114.58 119.79 3h45 h GLU 154 Ca 0.33 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3h45 h GLU 154 Cb 0.59 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3h45 h GLU 154 CO -0.83 0.42 -0.17 0.87 -0.73 0.00 0.00 179.01 178.58 3h45 h LYS 155 N 0.66 0.50 -0.11 1.92 1.57 0.30 -2.60 116.57 118.81 3h45 h LYS 155 Ca 0.26 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3h45 h LYS 155 Cb 0.11 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3h45 h LYS 155 CO -0.14 0.65 -0.10 0.00 -0.57 0.00 0.00 179.45 179.29 3h45 h ALA 156 N 1.37 0.16 -0.10 3.86 0.00 -0.12 -1.44 119.26 122.98 3h45 h ALA 156 Ca 0.08 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3h45 h ALA 156 Cb 0.56 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3h45 h ALA 156 CO 0.04 -0.01 0.27 -0.44 0.00 0.00 0.00 179.25 179.11 3h45 h ASP 157 N -0.14 0.00 -0.20 0.00 3.32 -0.27 0.22 116.42 119.35 3h45 h ASP 157 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3h45 h ASP 157 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3h45 h ASP 157 CO 0.03 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.35 3h45 n ASN 158 N -3.22 3.02 -0.18 6.45 5.15 -0.98 -4.99 115.26 120.50 3h45 n ASN 158 Ca 0.00 -1.90 -0.02 0.00 -0.60 0.00 0.00 54.58 52.06 3h45 n ASN 158 Cb 0.36 -0.12 -0.00 0.00 -0.53 0.00 0.00 39.78 39.49 3h45 n ASN 158 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h45 n GLY 159 N 1.24 0.36 0.02 8.20 0.00 0.76 -4.94 105.19 110.82 3h45 n GLY 159 Ca 0.15 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.41 3h45 n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h45 n GLU 160 N -1.65 0.30 -4.42 1.61 1.02 -0.58 -4.92 120.64 112.00 3h45 n GLU 160 Ca -0.02 -0.05 -0.33 0.00 -0.02 0.00 0.00 57.16 56.74 3h45 n GLU 160 Cb 0.39 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 3h45 n GLU 160 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h45 s LEU 161 N -3.83 3.39 0.08 -4.62 1.43 -1.25 -0.33 118.68 113.55 3h45 s LEU 161 Ca 0.02 0.01 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 3h45 s LEU 161 Cb 0.15 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 3h45 s LEU 161 CO 0.85 0.33 -0.26 -0.76 0.23 0.00 0.00 176.35 176.73 3h45 s LEU 162 N -1.16 2.26 0.21 1.79 1.43 0.33 -3.86 118.68 119.68 3h45 s LEU 162 Ca 0.16 -0.65 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 3h45 s LEU 162 Cb -0.11 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3h45 s LEU 162 CO 0.05 0.22 -0.08 0.12 0.23 0.00 0.00 176.35 176.90 3h45 s PHE 163 N -0.93 2.63 -0.29 0.29 5.36 0.36 -1.17 117.98 124.23 3h45 s PHE 163 Ca 0.13 -0.23 -0.26 0.00 -0.96 0.00 0.00 56.93 55.61 3h45 s PHE 163 Cb -0.10 -1.24 0.19 0.00 -0.34 0.00 0.00 43.02 41.53 3h45 s PHE 163 CO 0.04 0.56 1.41 0.20 -1.46 0.00 0.00 175.22 175.97 3h45 s GLY 164 N -3.10 0.28 0.88 13.12 0.00 -0.40 -4.44 107.32 113.66 3h45 s GLY 164 Ca 0.27 3.35 -0.12 0.00 0.00 0.00 0.00 44.72 48.22 3h45 s GLY 164 CO 0.16 1.77 1.16 -0.51 0.00 0.00 0.00 173.10 175.68 3h45 s THR 165 N -0.18 1.99 0.51 0.90 -4.23 -1.26 -1.90 115.64 111.48 3h45 s THR 165 Ca 0.07 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 60.89 3h45 s THR 165 Cb -0.04 -2.84 0.49 0.00 1.34 0.00 0.00 72.50 71.45 3h45 s THR 165 CO -0.14 0.00 1.84 0.40 -0.54 0.00 0.00 174.62 176.19 3h45 h ILE 166 N -1.37 0.51 -0.39 2.99 1.08 -1.79 0.16 117.51 118.70 3h45 h ILE 166 Ca -0.49 -0.03 -0.08 0.00 -0.39 0.00 0.00 64.86 63.88 3h45 h ILE 166 Cb 1.33 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 3h45 h ILE 166 CO 0.62 0.01 -0.09 -2.24 -0.69 0.00 0.00 178.15 175.77 3h45 h ASP 167 N 0.07 0.65 0.04 1.72 2.03 -1.91 -1.68 116.42 117.35 3h45 h ASP 167 Ca 0.50 -0.17 -0.20 0.00 -0.73 0.00 0.00 57.03 56.42 3h45 h ASP 167 Cb 1.85 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 40.17 3h45 h ASP 167 CO -0.05 0.78 -0.75 0.28 -1.03 0.00 0.00 179.24 178.47 3h45 h SER 168 N 0.62 0.73 0.01 4.15 0.02 -1.10 -2.33 113.55 115.65 3h45 h SER 168 Ca 0.11 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3h45 h SER 168 Cb 0.52 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3h45 h SER 168 CO 0.03 1.24 -0.01 -0.25 -1.14 0.00 0.00 176.83 176.71 3h45 h TRP 169 N 0.42 -0.01 -0.03 3.45 -0.00 -1.29 -1.55 115.95 116.94 3h45 h TRP 169 Ca -0.04 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.86 3h45 h TRP 169 Cb 1.35 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.50 3h45 h TRP 169 CO 0.07 0.00 -0.04 -0.07 -0.00 0.00 0.00 178.44 178.40 3h45 h LEU 170 N -0.02 -0.12 -1.39 0.65 3.38 -1.29 -0.79 115.31 115.73 3h45 h LEU 170 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3h45 h LEU 170 Cb 0.02 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3h45 h LEU 170 CO 0.00 -0.06 0.12 0.58 0.09 0.00 0.00 178.44 179.17 3h45 h VAL 171 N -0.05 1.16 -0.34 1.22 2.07 -1.36 0.33 116.25 119.28 3h45 h VAL 171 Ca 0.03 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 3h45 h VAL 171 Cb 0.09 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3h45 h VAL 171 CO -0.07 0.20 -0.23 -0.25 0.02 0.00 0.00 177.57 177.24 3h45 h TRP 172 N 0.52 0.88 -0.50 1.57 2.91 -0.94 -1.50 115.95 118.89 3h45 h TRP 172 Ca 0.13 -0.24 -0.13 0.00 1.13 0.00 0.00 58.89 59.78 3h45 h TRP 172 Cb 0.16 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.60 3h45 h TRP 172 CO 0.01 0.98 -0.19 0.87 -1.03 0.00 0.00 178.44 179.08 3h45 h LYS 173 N 0.53 1.02 0.00 2.65 1.79 -0.63 0.32 116.57 122.25 3h45 h LYS 173 Ca 0.07 -0.42 -0.07 0.00 -2.18 0.00 0.00 60.65 58.05 3h45 h LYS 173 Cb 0.79 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 3h45 h LYS 173 CO 0.06 1.11 -0.33 -0.07 -1.08 0.00 0.00 179.45 179.14 3h45 h LEU 174 N 0.88 0.00 -3.45 2.94 3.38 -0.89 -2.44 115.31 115.74 3h45 h LEU 174 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3h45 h LEU 174 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3h45 h LEU 174 CO 0.06 0.33 0.03 0.35 0.09 0.00 0.00 178.44 179.30 3h45 n THR 175 N -3.74 2.58 -3.96 0.22 -2.24 -0.57 -1.65 114.28 104.92 3h45 n THR 175 Ca -0.01 -1.69 -0.38 0.00 -2.27 0.00 0.00 64.05 59.70 3h45 n THR 175 Cb 0.42 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.38 3h45 n THR 175 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h45 n ASP 176 N -0.02 -4.32 -1.23 3.42 2.03 -0.64 -1.35 116.55 114.43 3h45 n ASP 176 Ca 0.27 -1.16 -0.16 0.00 0.52 0.00 0.00 54.79 54.26 3h45 n ASP 176 Cb 1.09 -1.56 -0.07 0.00 -0.72 0.00 0.00 41.12 39.86 3h45 n ASP 176 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h45 n GLY 177 N -1.90 1.61 0.13 0.27 0.00 0.11 -4.90 105.19 100.50 3h45 n GLY 177 Ca -0.20 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 3h45 n GLY 177 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3h45 n GLN 178 N -2.44 0.65 -3.79 1.61 7.27 -0.46 -4.90 117.38 115.32 3h45 n GLN 178 Ca -0.16 0.17 -0.37 0.00 0.07 0.00 0.00 57.00 56.71 3h45 n GLN 178 Cb 0.54 -1.53 -0.13 0.00 2.41 0.00 0.00 30.24 31.53 3h45 n GLN 178 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3h45 s VAL 179 N -2.52 3.81 -0.64 1.69 1.01 -1.26 -5.04 120.40 117.45 3h45 s VAL 179 Ca -0.35 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 3h45 s VAL 179 Cb 0.10 -2.97 0.17 0.00 0.00 0.00 0.00 36.38 33.67 3h45 s VAL 179 CO 0.60 0.08 0.48 -2.28 0.00 0.00 0.00 175.10 173.98 3h45 s HIS 180 N 1.47 3.47 0.28 5.22 2.46 -1.26 -3.67 115.29 123.26 3h45 s HIS 180 Ca 0.02 -2.56 0.02 0.00 0.47 0.00 0.00 55.06 53.00 3h45 s HIS 180 Cb -0.17 -3.31 -0.05 0.00 -0.13 0.00 0.00 32.58 28.92 3h45 s HIS 180 CO 0.02 -0.87 0.11 0.54 -2.47 0.00 0.00 174.74 172.06 3h45 s VAL 181 N 0.06 0.54 0.13 0.89 0.11 -1.26 -2.62 120.40 118.25 3h45 s VAL 181 Ca 0.16 -2.00 -0.19 0.00 -2.93 0.00 0.00 61.98 57.02 3h45 s VAL 181 Cb -0.19 -2.61 0.05 0.00 -1.53 0.00 0.00 36.38 32.10 3h45 s VAL 181 CO -0.04 0.00 0.49 0.28 -3.33 0.00 0.00 175.10 172.50 3h45 s THR 182 N -3.69 0.04 0.28 5.04 -1.32 -0.61 -3.98 115.64 111.41 3h45 s THR 182 Ca 0.37 -0.32 0.06 0.00 -1.21 0.00 0.00 61.69 60.58 3h45 s THR 182 Cb 0.07 -1.08 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 3h45 s THR 182 CO 0.15 -0.18 0.39 1.51 -2.21 0.00 0.00 174.62 174.28 3h45 s ASP 183 N -2.69 6.13 0.17 8.08 -4.77 -1.26 -1.05 116.67 121.28 3h45 s ASP 183 Ca 0.01 -0.05 -0.22 0.00 -3.30 0.00 0.00 52.55 48.99 3h45 s ASP 183 Cb 0.01 -1.59 0.08 0.00 -1.09 0.00 0.00 42.92 40.33 3h45 s ASP 183 CO -0.11 -0.21 1.60 1.88 0.70 0.00 0.00 175.17 179.03 3h45 h TYR 184 N 1.08 -0.80 -0.62 2.11 0.05 -1.54 0.51 116.97 117.77 3h45 h TYR 184 Ca -0.49 0.06 0.09 0.00 0.05 0.00 0.00 58.73 58.43 3h45 h TYR 184 Cb 1.24 0.42 -0.07 0.00 1.01 0.00 0.00 36.73 39.33 3h45 h TYR 184 CO 0.45 -0.36 0.26 0.66 -1.05 0.00 0.00 178.16 178.12 3h45 h SER 185 N -0.22 0.30 -0.03 3.88 4.64 -1.82 -0.42 113.55 119.88 3h45 h SER 185 Ca 0.19 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 3h45 h SER 185 Cb 0.52 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3h45 h SER 185 CO -0.54 0.18 -0.03 0.78 -0.87 0.00 0.00 176.83 176.35 3h45 h ASN 186 N 0.47 0.08 -0.81 4.97 2.35 -1.73 -3.19 115.58 117.71 3h45 h ASN 186 Ca 0.30 -0.47 0.13 0.00 -0.55 0.00 0.00 56.30 55.72 3h45 h ASN 186 Cb 0.34 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.59 3h45 h ASN 186 CO -0.27 0.53 0.41 0.00 -1.65 0.00 0.00 177.43 176.45 3h45 h ALA 187 N 0.55 1.20 0.00 -0.83 0.00 -0.61 0.43 119.26 120.00 3h45 h ALA 187 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h45 h ALA 187 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3h45 h ALA 187 CO 0.01 -0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.84 3h45 h SER 188 N 0.61 0.00 -0.52 0.00 4.64 -1.06 -1.20 113.55 116.02 3h45 h SER 188 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3h45 h SER 188 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3h45 h SER 188 CO -0.34 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.16 3h45 n ARG 189 N -2.67 2.31 0.07 4.77 5.12 0.14 -4.25 116.66 122.15 3h45 n ARG 189 Ca -0.02 -2.03 -0.00 0.00 -1.93 0.00 0.00 57.85 53.87 3h45 n ARG 189 Cb 0.06 -1.45 -0.05 0.00 -1.16 0.00 0.00 32.46 29.85 3h45 n ARG 189 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3h45 h THR 190 N 3.42 0.76 -0.38 0.55 1.35 -1.28 -3.32 112.91 114.02 3h45 h THR 190 Ca 0.00 -2.25 -0.10 0.00 -0.55 0.00 0.00 66.41 63.51 3h45 h THR 190 Cb 0.78 2.27 -0.03 0.00 -1.73 0.00 0.00 68.15 69.44 3h45 h THR 190 CO 0.00 0.44 -0.10 0.80 -0.25 0.00 0.00 175.52 176.40 3h45 n MET 191 N -3.06 -0.36 0.00 4.72 1.56 -1.26 0.13 117.12 118.84 3h45 n MET 191 Ca -0.05 0.54 0.00 0.00 -0.27 0.00 0.00 57.70 57.92 3h45 n MET 191 Cb 0.83 -4.27 0.00 0.00 2.15 0.00 0.00 33.22 31.93 3h45 n MET 191 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3h45 n LEU 192 N -0.61 0.35 -4.40 -0.89 4.77 -1.26 -4.79 117.00 110.16 3h45 n LEU 192 Ca -0.05 -0.45 -0.33 0.00 -0.03 0.00 0.00 56.01 55.15 3h45 n LEU 192 Cb 0.28 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 3h45 n LEU 192 CO 0.07 0.09 -0.42 -0.47 -1.33 0.00 0.00 177.39 175.33 3h45 s TYR 193 N -0.20 2.87 -0.38 -1.77 5.04 -1.26 -0.24 117.35 121.41 3h45 s TYR 193 Ca 0.00 -0.55 -0.27 0.00 -2.44 0.00 0.00 57.07 53.81 3h45 s TYR 193 Cb 0.00 -1.88 0.02 0.00 0.35 0.00 0.00 41.96 40.45 3h45 s TYR 193 CO 0.00 -0.17 0.97 1.21 -1.34 0.00 0.00 175.55 176.22 3h45 s ASN 194 N 0.36 6.70 0.14 4.32 3.84 0.18 -4.34 114.94 126.15 3h45 s ASN 194 Ca -0.09 0.62 0.26 0.00 0.21 0.00 0.00 52.86 53.86 3h45 s ASN 194 Cb -0.15 -2.48 0.95 0.00 -0.55 0.00 0.00 41.25 39.01 3h45 s ASN 194 CO 0.05 -0.91 1.80 2.30 -2.79 0.00 0.00 177.10 177.55 3h45 n ILE 195 N 6.07 0.45 -0.04 -5.21 -5.35 -0.01 -0.90 119.36 114.37 3h45 n ILE 195 Ca 0.08 -0.12 -0.22 0.00 -0.27 0.00 0.00 62.75 62.22 3h45 n ILE 195 Cb 0.48 -0.63 -0.13 0.00 -1.74 0.00 0.00 39.64 37.62 3h45 n ILE 195 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3h45 n HIS 196 N -1.98 1.05 0.81 4.28 8.25 -1.26 -4.23 115.22 122.14 3h45 n HIS 196 Ca 0.06 0.30 0.12 0.00 -0.26 0.00 0.00 57.72 57.93 3h45 n HIS 196 Cb 0.37 -1.13 0.27 0.00 1.12 0.00 0.00 29.99 30.63 3h45 n HIS 196 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3h45 n LYS 197 N -3.82 0.13 -3.24 -0.41 5.02 -1.24 -4.98 118.16 109.62 3h45 n LYS 197 Ca -0.34 0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 55.85 3h45 n LYS 197 Cb 0.92 -1.59 0.07 0.00 -0.02 0.00 0.00 35.03 34.41 3h45 n LYS 197 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h45 n LEU 198 N -1.78 -4.86 -3.52 -0.35 4.77 -0.07 -5.04 117.00 106.14 3h45 n LEU 198 Ca 0.05 -0.64 -0.16 0.00 -0.03 0.00 0.00 56.01 55.22 3h45 n LEU 198 Cb 0.38 -3.05 -0.05 0.00 -2.33 0.00 0.00 43.42 38.37 3h45 n LEU 198 CO 0.34 0.20 0.39 -1.83 -1.33 0.00 0.00 177.39 175.17 3h45 s GLU 199 N -4.71 1.07 0.27 3.23 -1.05 -0.91 -4.99 118.70 111.62 3h45 s GLU 199 Ca 0.26 0.07 -0.30 0.00 -0.15 0.00 0.00 54.97 54.85 3h45 s GLU 199 Cb -0.03 0.50 -0.11 0.00 -0.44 0.00 0.00 34.13 34.05 3h45 s GLU 199 CO 0.70 -0.36 1.53 -1.58 0.95 0.00 0.00 175.26 176.50 3h45 s TRP 200 N -1.73 2.87 -0.32 4.83 0.52 -1.26 0.51 118.94 124.35 3h45 s TRP 200 Ca -0.09 0.88 -0.26 0.00 0.02 0.00 0.00 56.10 56.65 3h45 s TRP 200 Cb -0.00 -3.97 0.01 0.00 -1.15 0.00 0.00 33.47 28.36 3h45 s TRP 200 CO 0.05 -3.21 0.94 0.34 0.02 0.00 0.00 176.95 175.09 3h45 s ASP 201 N 0.45 6.78 0.20 2.95 2.15 0.67 -4.76 116.67 125.10 3h45 s ASP 201 Ca 0.62 0.81 -0.08 0.00 0.43 0.00 0.00 52.55 54.33 3h45 s ASP 201 Cb -0.45 -2.48 0.11 0.00 -0.30 0.00 0.00 42.92 39.80 3h45 s ASP 201 CO 0.46 -0.78 1.69 -0.61 -0.17 0.00 0.00 175.17 175.75 3h45 h GLN 202 N 8.18 1.10 -0.15 4.34 5.75 -1.91 -1.30 115.11 131.11 3h45 h GLN 202 Ca -0.22 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.01 3h45 h GLN 202 Cb 1.08 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.47 3h45 h GLN 202 CO 0.97 1.02 -0.07 1.49 -2.65 0.00 0.00 178.83 179.59 3h45 h GLU 203 N 1.02 -0.05 -0.72 1.69 4.81 -1.98 0.54 114.58 119.90 3h45 h GLU 203 Ca 0.20 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3h45 h GLU 203 Cb 0.47 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 3h45 h GLU 203 CO 0.02 -0.03 0.19 0.82 -0.73 0.00 0.00 179.01 179.28 3h45 h ILE 204 N -0.05 1.26 -0.49 2.32 2.04 -1.91 -1.29 117.51 119.39 3h45 h ILE 204 Ca 0.08 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.01 3h45 h ILE 204 Cb 0.17 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3h45 h ILE 204 CO -0.18 0.37 0.32 -0.07 0.00 0.00 0.00 178.15 178.58 3h45 h LEU 205 N 1.08 0.54 -0.88 1.44 3.38 -0.71 -2.16 115.31 118.00 3h45 h LEU 205 Ca 0.23 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3h45 h LEU 205 Cb 0.34 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3h45 h LEU 205 CO -0.00 0.39 0.14 0.44 0.09 0.00 0.00 178.44 179.50 3h45 h ASP 206 N 0.65 0.91 -0.18 -0.43 3.32 -0.64 -0.46 116.42 119.58 3h45 h ASP 206 Ca 0.18 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3h45 h ASP 206 Cb -0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3h45 h ASP 206 CO -0.05 0.89 0.00 0.25 -1.72 0.00 0.00 179.24 178.61 3h45 h LEU 207 N 0.93 0.41 -3.16 1.55 5.85 -0.77 -2.25 115.31 117.87 3h45 h LEU 207 Ca 0.20 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3h45 h LEU 207 Cb 0.35 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3h45 h LEU 207 CO 0.00 0.48 0.00 0.18 -0.34 0.00 0.00 178.44 178.76 3h45 n LEU 208 N -4.31 4.29 -4.24 2.25 4.77 -0.85 -4.98 117.00 113.93 3h45 n LEU 208 Ca 0.01 -2.54 -0.34 0.00 -0.03 0.00 0.00 56.01 53.11 3h45 n LEU 208 Cb 0.22 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 3h45 n LEU 208 CO 0.38 0.75 -0.39 -3.20 -1.33 0.00 0.00 177.39 173.60 3h45 n ASN 209 N 0.58 -0.26 -4.35 -1.43 5.15 -0.48 -4.86 115.26 109.61 3h45 n ASN 209 Ca 0.22 -1.27 -0.39 0.00 -0.60 0.00 0.00 54.58 52.54 3h45 n ASN 209 Cb 0.83 -1.71 -0.12 0.00 -0.53 0.00 0.00 39.78 38.26 3h45 n ASN 209 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h45 s ILE 210 N -4.17 4.35 0.07 -1.44 1.01 -0.31 -5.03 121.20 115.68 3h45 s ILE 210 Ca 0.11 -0.88 -0.31 0.00 0.00 0.00 0.00 60.65 59.57 3h45 s ILE 210 Cb -0.06 -3.41 -0.08 0.00 0.01 0.00 0.00 42.46 38.92 3h45 s ILE 210 CO 0.99 -0.18 1.61 -2.16 0.00 0.00 0.00 174.94 175.20 3h45 s PRO 211 N 1.52 4.21 0.00 2.79 0.04 -1.26 -4.67 135.00 137.63 3h45 s PRO 211 Ca 0.01 2.29 0.03 0.00 0.04 0.00 0.00 61.00 63.37 3h45 s PRO 211 Cb -0.19 -3.55 0.11 0.00 0.04 0.00 0.00 34.50 30.92 3h45 s PRO 211 CO 0.05 -0.70 1.05 -1.13 0.04 0.00 0.00 177.00 176.32 3h45 n SER 212 N 5.39 0.00 0.27 6.66 3.41 -1.26 -1.60 113.62 126.49 3h45 n SER 212 Ca 0.15 0.46 0.15 0.00 -0.26 0.00 0.00 58.87 59.37 3h45 n SER 212 Cb 0.41 -0.47 0.77 0.00 -0.26 0.00 0.00 64.21 64.66 3h45 n SER 212 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h45 h SER 213 N 0.00 0.00 1.83 4.04 4.64 -1.89 -2.41 113.55 119.76 3h45 h SER 213 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h45 h SER 213 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3h45 h SER 213 CO 0.00 0.09 0.00 0.24 -0.87 0.00 0.00 176.83 176.29 3h45 h MET 214 N 0.00 0.00 -6.80 4.77 2.86 -1.40 -3.46 114.93 110.90 3h45 h MET 214 Ca -0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 3h45 h MET 214 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3h45 h MET 214 CO 0.01 0.00 0.38 -0.51 1.06 0.00 0.00 176.91 177.85 3h45 s LEU 215 N -5.95 4.54 0.47 1.22 1.43 -0.91 -0.49 118.68 118.99 3h45 s LEU 215 Ca 0.07 2.01 -0.04 0.00 -1.03 0.00 0.00 54.13 55.14 3h45 s LEU 215 Cb 0.06 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 3h45 s LEU 215 CO 0.65 0.00 0.76 -2.16 0.23 0.00 0.00 176.35 175.83 3h45 s PRO 216 N -1.49 3.46 0.44 1.29 0.04 -1.26 -4.97 135.00 132.51 3h45 s PRO 216 Ca 0.45 0.09 -0.24 0.00 0.04 0.00 0.00 61.00 61.34 3h45 s PRO 216 Cb -0.26 -2.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.80 3h45 s PRO 216 CO 0.32 -0.21 1.18 -1.21 0.04 0.00 0.00 177.00 177.12 3h45 s GLU 217 N -4.71 3.82 -0.19 4.56 2.02 -1.08 -4.80 118.70 118.34 3h45 s GLU 217 Ca 0.47 1.83 -0.08 0.00 0.02 0.00 0.00 54.97 57.21 3h45 s GLU 217 Cb -0.10 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 3h45 s GLU 217 CO 0.44 -0.51 0.07 0.08 0.02 0.00 0.00 175.26 175.36 3h45 s VAL 218 N -1.49 4.87 0.24 2.63 1.01 -1.26 -1.57 120.40 124.84 3h45 s VAL 218 Ca 0.62 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.62 3h45 s VAL 218 Cb -0.30 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3h45 s VAL 218 CO 0.37 0.45 0.08 0.29 0.00 0.00 0.00 175.10 176.29 3h45 n LYS 219 N 3.60 0.78 -0.80 2.72 5.02 -0.22 -4.96 118.16 124.30 3h45 n LYS 219 Ca -0.16 -2.02 -0.16 0.00 -2.02 0.00 0.00 58.31 53.95 3h45 n LYS 219 Cb 0.52 1.05 0.12 0.00 -0.02 0.00 0.00 35.03 36.70 3h45 n LYS 219 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3h45 n SER 220 N -1.70 -0.78 -0.23 4.39 3.41 -1.26 -1.67 113.62 115.78 3h45 n SER 220 Ca -0.04 -1.06 0.12 0.00 -0.26 0.00 0.00 58.87 57.62 3h45 n SER 220 Cb 0.36 -0.55 0.14 0.00 -0.26 0.00 0.00 64.21 63.90 3h45 n SER 220 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3h45 n ASN 221 N -3.75 1.23 -3.30 4.04 3.02 -0.44 -4.47 115.26 111.59 3h45 n ASN 221 Ca 0.09 -0.99 -0.24 0.00 -0.03 0.00 0.00 54.58 53.41 3h45 n ASN 221 Cb 0.32 0.43 -0.08 0.00 -0.61 0.00 0.00 39.78 39.84 3h45 n ASN 221 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3h45 s SER 222 N -2.68 0.99 0.25 6.41 0.15 -1.25 -2.82 113.70 114.75 3h45 s SER 222 Ca 0.17 -2.87 -0.22 0.00 0.70 0.00 0.00 55.95 53.73 3h45 s SER 222 Cb 0.18 -0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.43 3h45 s SER 222 CO 0.64 -0.15 0.72 -1.83 1.20 0.00 0.00 173.24 173.82 3h45 s GLU 223 N 0.19 1.67 -0.38 5.44 -1.05 -1.13 -4.64 118.70 118.80 3h45 s GLU 223 Ca 0.32 -0.89 -0.24 0.00 -0.15 0.00 0.00 54.97 54.01 3h45 s GLU 223 Cb 0.03 0.59 0.01 0.00 -0.44 0.00 0.00 34.13 34.33 3h45 s GLU 223 CO -0.18 -0.76 0.86 0.08 0.95 0.00 0.00 175.26 176.21 3h45 s VAL 224 N -3.84 4.64 -1.43 1.83 1.01 -1.26 -4.05 120.40 117.29 3h45 s VAL 224 Ca 0.10 0.97 0.28 0.00 0.00 0.00 0.00 61.98 63.33 3h45 s VAL 224 Cb -0.05 -4.29 0.30 0.00 0.00 0.00 0.00 36.38 32.34 3h45 s VAL 224 CO 0.04 -0.53 1.73 -1.22 0.00 0.00 0.00 175.10 175.12 3h45 n TYR 225 N 6.65 0.00 -0.80 5.22 4.02 0.31 -4.99 117.16 127.58 3h45 n TYR 225 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3h45 n TYR 225 Cb 0.48 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 3h45 n TYR 225 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h45 n GLY 226 N 1.37 0.09 3.34 2.72 0.00 -1.25 -4.92 105.19 106.54 3h45 n GLY 226 Ca 0.11 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 3h45 n GLY 226 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h45 s HIS 227 N -1.95 2.22 0.35 1.61 3.76 -1.26 -0.99 115.29 119.02 3h45 s HIS 227 Ca 0.00 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.23 3h45 s HIS 227 Cb 0.00 -1.28 -0.10 0.00 1.11 0.00 0.00 32.58 32.31 3h45 s HIS 227 CO 0.00 0.19 1.36 0.95 -0.85 0.00 0.00 174.74 176.40 3h45 s THR 228 N -0.91 2.50 0.02 1.30 -4.23 0.56 -4.65 115.64 110.23 3h45 s THR 228 Ca 0.12 0.50 -0.26 0.00 -1.18 0.00 0.00 61.69 60.87 3h45 s THR 228 Cb -0.10 -3.31 -0.05 0.00 1.34 0.00 0.00 72.50 70.38 3h45 s THR 228 CO 0.03 0.11 0.80 -0.13 -0.54 0.00 0.00 174.62 174.90 3h45 s ARG 229 N -1.93 4.51 0.00 3.99 0.52 -0.66 -4.04 118.95 121.35 3h45 s ARG 229 Ca 0.51 1.11 -0.00 0.00 -0.52 0.00 0.00 55.73 56.83 3h45 s ARG 229 Cb -0.42 -3.39 -0.00 0.00 0.52 0.00 0.00 34.95 31.66 3h45 s ARG 229 CO 0.56 0.20 0.52 0.43 0.02 0.00 0.00 175.30 177.02 3h45 n SER 230 N 3.12 -0.01 0.00 0.23 7.64 -1.26 0.17 113.62 123.51 3h45 n SER 230 Ca -0.01 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.39 3h45 n SER 230 Cb 0.50 -0.25 0.01 0.00 -1.01 0.00 0.00 64.21 63.46 3h45 n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h45 n TYR 231 N -2.55 0.00 -0.00 1.43 4.11 -1.26 -0.77 117.16 118.11 3h45 n TYR 231 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3h45 n TYR 231 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 3h45 n TYR 231 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3h45 n GLU 232 N -0.58 5.55 -2.77 -3.48 -0.58 0.46 -4.79 120.64 114.45 3h45 n GLU 232 Ca 0.00 -0.09 -0.03 0.00 -0.42 0.00 0.00 57.16 56.62 3h45 n GLU 232 Cb 0.00 -0.58 0.04 0.00 -0.57 0.00 0.00 31.44 30.33 3h45 n GLU 232 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3h45 n PHE 233 N -0.82 1.18 -2.62 -0.32 -0.00 0.05 -4.87 117.46 110.05 3h45 n PHE 233 Ca 0.00 -2.38 -0.10 0.00 -0.00 0.00 0.00 57.45 54.98 3h45 n PHE 233 Cb 0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.48 39.21 3h45 n PHE 233 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3h45 n TYR 234 N -0.41 -1.67 0.00 -5.13 4.01 -1.19 -4.58 117.16 108.19 3h45 n TYR 234 Ca 0.08 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 3h45 n TYR 234 Cb 0.81 -2.11 0.00 0.00 -0.31 0.00 0.00 39.34 37.73 3h45 n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h45 n GLY 235 N -0.74 2.82 0.49 2.72 0.00 -1.17 -4.82 105.19 104.49 3h45 n GLY 235 Ca -0.07 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.40 3h45 n GLY 235 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3h45 n SER 236 N 0.00 -2.64 -4.15 1.61 2.88 -1.26 -4.65 113.62 105.40 3h45 n SER 236 Ca 0.00 0.54 -0.39 0.00 -1.33 0.00 0.00 58.87 57.69 3h45 n SER 236 Cb 0.00 -1.34 -0.08 0.00 -0.75 0.00 0.00 64.21 62.04 3h45 n SER 236 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3h45 s GLU 237 N -3.89 2.65 0.10 -1.46 2.02 -1.26 -4.08 118.70 112.78 3h45 s GLU 237 Ca 0.00 -2.31 -0.14 0.00 0.02 0.00 0.00 54.97 52.54 3h45 s GLU 237 Cb 0.00 -3.86 -0.06 0.00 0.10 0.00 0.00 34.13 30.31 3h45 s GLU 237 CO 0.00 -1.18 0.50 0.08 0.02 0.00 0.00 175.26 174.67 3h45 s VAL 238 N 0.35 4.92 -0.13 2.63 1.01 -1.26 -4.72 120.40 123.21 3h45 s VAL 238 Ca 0.14 0.81 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 3h45 s VAL 238 Cb -0.20 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3h45 s VAL 238 CO -0.04 0.35 1.09 -2.16 0.00 0.00 0.00 175.10 174.34 3h45 s PRO 239 N -1.69 4.35 -0.55 2.72 0.04 -1.26 -0.33 135.00 138.28 3h45 s PRO 239 Ca 0.33 1.49 -0.25 0.00 0.04 0.00 0.00 61.00 62.61 3h45 s PRO 239 Cb -0.16 -3.59 0.04 0.00 0.04 0.00 0.00 34.50 30.83 3h45 s PRO 239 CO 0.18 -0.46 1.02 0.42 0.04 0.00 0.00 177.00 178.20 3h45 s ILE 240 N 2.48 4.28 -0.08 0.56 1.01 -0.16 -1.74 121.20 127.55 3h45 s ILE 240 Ca 0.50 0.51 0.11 0.00 0.00 0.00 0.00 60.65 61.78 3h45 s ILE 240 Cb -0.20 -4.59 0.17 0.00 0.01 0.00 0.00 42.46 37.86 3h45 s ILE 240 CO 0.16 -1.16 1.07 0.00 0.00 0.00 0.00 174.94 175.01 3h45 n ALA 241 N 7.74 2.11 -3.61 9.38 0.00 -0.56 -0.53 120.51 135.04 3h45 n ALA 241 Ca 0.04 -1.95 -0.11 0.00 0.00 0.00 0.00 53.44 51.42 3h45 n ALA 241 Cb 0.48 -0.29 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 3h45 n ALA 241 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h45 s GLY 242 N -2.08 -0.38 -0.08 0.00 0.00 -1.11 -2.83 107.32 100.83 3h45 s GLY 242 Ca 0.19 1.63 -0.10 0.00 0.00 0.00 0.00 44.72 46.44 3h45 s GLY 242 CO 0.02 1.67 0.26 1.06 0.00 0.00 0.00 173.10 176.11 3h45 s MET 243 N 1.16 0.36 -0.26 2.90 -1.94 -1.13 0.69 119.30 121.08 3h45 s MET 243 Ca -0.07 0.24 -0.28 0.00 -1.71 0.00 0.00 55.69 53.86 3h45 s MET 243 Cb -0.07 0.17 0.17 0.00 2.01 0.00 0.00 34.83 37.12 3h45 s MET 243 CO -0.11 -0.06 1.27 0.00 -0.01 0.00 0.00 175.02 176.11 3h45 s ALA 244 N -0.16 -2.08 0.57 3.03 0.00 -1.06 -4.49 121.76 117.57 3h45 s ALA 244 Ca -0.03 1.79 -0.20 0.00 0.00 0.00 0.00 51.96 53.52 3h45 s ALA 244 Cb -0.03 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 3h45 s ALA 244 CO 0.01 -0.23 1.25 0.20 0.00 0.00 0.00 175.76 176.99 3h45 s GLY 245 N -0.80 2.80 0.21 0.00 0.00 -1.26 -3.25 107.32 105.01 3h45 s GLY 245 Ca 0.06 1.11 -0.12 0.00 0.00 0.00 0.00 44.72 45.77 3h45 s GLY 245 CO -0.07 1.55 1.65 1.29 0.00 0.00 0.00 173.10 177.53 3h45 h ASP 246 N 1.12 -0.36 -0.86 1.64 3.04 -0.70 0.13 116.42 120.44 3h45 h ASP 246 Ca -0.51 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 3h45 h ASP 246 Cb 1.30 0.30 -0.04 0.00 -1.04 0.00 0.00 39.33 39.84 3h45 h ASP 246 CO 0.56 -0.14 0.55 1.56 -2.04 0.00 0.00 179.24 179.73 3h45 h GLN 247 N 0.07 1.15 -0.16 4.15 1.08 -1.91 0.16 115.11 119.66 3h45 h GLN 247 Ca 0.30 -0.08 -0.14 0.00 -1.45 0.00 0.00 58.65 57.27 3h45 h GLN 247 Cb 0.48 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 3h45 h GLN 247 CO -0.54 0.78 -0.50 1.96 -0.95 0.00 0.00 178.83 179.58 3h45 h GLN 248 N 1.18 0.45 -0.55 1.46 7.50 -1.49 -1.98 115.11 121.68 3h45 h GLN 248 Ca 0.31 -0.26 -0.07 0.00 0.50 0.00 0.00 58.65 59.14 3h45 h GLN 248 Cb -0.10 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.43 3h45 h GLN 248 CO -0.06 0.85 0.07 0.00 -1.50 0.00 0.00 178.83 178.18 3h45 h ALA 249 N 1.11 1.09 -0.68 3.87 0.00 0.21 -1.75 119.26 123.11 3h45 h ALA 249 Ca 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3h45 h ALA 249 Cb 1.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3h45 h ALA 249 CO 0.09 0.59 0.30 0.00 0.00 0.00 0.00 179.25 180.23 3h45 h ALA 250 N 1.24 0.87 -0.50 0.00 0.00 -0.39 -1.03 119.26 119.46 3h45 h ALA 250 Ca 0.17 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h45 h ALA 250 Cb 0.40 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3h45 h ALA 250 CO 0.01 0.47 0.30 1.25 0.00 0.00 0.00 179.25 181.27 3h45 h LEU 251 N 0.95 0.48 -0.35 0.00 5.85 -0.82 -2.07 115.31 119.36 3h45 h LEU 251 Ca 0.23 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 3h45 h LEU 251 Cb 0.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3h45 h LEU 251 CO -0.02 0.34 0.02 0.15 -0.34 0.00 0.00 178.44 178.59 3h45 h PHE 252 N 0.60 0.64 0.00 1.25 3.57 -0.97 -2.45 116.94 119.58 3h45 h PHE 252 Ca 0.20 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3h45 h PHE 252 Cb 0.01 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 3h45 h PHE 252 CO -0.06 0.69 -0.14 0.78 -2.23 0.00 0.00 178.31 177.34 3h45 h GLY 253 N 0.41 0.00 2.00 2.40 0.00 -0.99 0.16 103.07 107.06 3h45 h GLY 253 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3h45 h GLY 253 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 3h45 n GLN 254 N -4.26 0.21 -2.70 4.80 1.13 -0.80 -4.81 117.38 110.96 3h45 n GLN 254 Ca -0.02 0.31 -0.12 0.00 -1.94 0.00 0.00 57.00 55.23 3h45 n GLN 254 Cb 0.22 -1.82 0.02 0.00 0.11 0.00 0.00 30.24 28.77 3h45 n GLN 254 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3h45 n MET 255 N -2.20 -2.78 -1.99 -1.09 2.81 0.57 -4.91 117.12 107.53 3h45 n MET 255 Ca 0.04 0.49 -0.42 0.00 -1.81 0.00 0.00 57.70 56.00 3h45 n MET 255 Cb 0.32 -4.47 -0.00 0.00 -0.71 0.00 0.00 33.22 28.35 3h45 n MET 255 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h45 n ALA 256 N -2.83 5.94 0.59 3.04 0.00 -0.94 -4.65 120.51 121.68 3h45 n ALA 256 Ca -0.06 -4.06 0.12 0.00 0.00 0.00 0.00 53.44 49.44 3h45 n ALA 256 Cb 0.56 -3.14 0.24 0.00 0.00 0.00 0.00 19.45 17.11 3h45 n ALA 256 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h45 n PHE 257 N 4.05 0.65 -3.80 0.00 3.72 -1.26 -4.74 117.46 116.08 3h45 n PHE 257 Ca 0.52 0.19 -0.21 0.00 -0.05 0.00 0.00 57.45 57.90 3h45 n PHE 257 Cb 0.33 -0.73 -0.02 0.00 -0.94 0.00 0.00 39.48 38.13 3h45 n PHE 257 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3h45 s GLU 258 N -3.15 3.38 0.16 -1.08 0.41 -1.26 -4.95 118.70 112.21 3h45 s GLU 258 Ca 0.08 -0.75 -0.31 0.00 -0.41 0.00 0.00 54.97 53.58 3h45 s GLU 258 Cb 0.13 -2.85 -0.09 0.00 -1.78 0.00 0.00 34.13 29.55 3h45 s GLU 258 CO 0.69 0.32 1.42 0.21 -0.49 0.00 0.00 175.26 177.41 3h45 s LYS 259 N -4.06 4.30 0.00 1.61 2.20 -1.26 -2.28 119.74 120.25 3h45 s LYS 259 Ca 0.37 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 3h45 s LYS 259 Cb -0.09 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 3h45 s LYS 259 CO 0.30 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 3h45 n GLY 260 N 3.12 1.60 3.73 5.54 0.00 0.55 -4.99 105.19 114.74 3h45 n GLY 260 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3h45 n GLY 260 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h45 s MET 261 N -0.81 4.47 0.02 1.61 -1.94 -0.97 -4.84 119.30 116.85 3h45 s MET 261 Ca 0.00 1.89 0.02 0.00 -1.71 0.00 0.00 55.69 55.89 3h45 s MET 261 Cb 0.00 -3.25 -0.02 0.00 2.01 0.00 0.00 34.83 33.58 3h45 s MET 261 CO 0.00 -0.13 -0.08 -1.50 -0.01 0.00 0.00 175.02 173.30 3h45 s ILE 262 N 0.11 0.57 0.14 2.53 2.07 -1.26 -1.76 121.20 123.61 3h45 s ILE 262 Ca 0.54 -0.73 -0.06 0.00 -1.41 0.00 0.00 60.65 58.99 3h45 s ILE 262 Cb -0.33 -0.56 -0.02 0.00 0.13 0.00 0.00 42.46 41.68 3h45 s ILE 262 CO 0.36 -0.13 0.18 -1.59 -1.91 0.00 0.00 174.94 171.84 3h45 s LYS 263 N -0.95 1.03 -0.02 3.50 0.00 -0.91 -2.34 119.74 120.06 3h45 s LYS 263 Ca -0.04 -1.26 0.01 0.00 0.00 0.00 0.00 55.97 54.67 3h45 s LYS 263 Cb -0.07 0.32 0.01 0.00 0.00 0.00 0.00 37.83 38.10 3h45 s LYS 263 CO 0.00 -0.34 -0.01 1.21 0.00 0.00 0.00 175.35 176.22 3h45 s ASN 264 N -2.99 0.31 -0.19 0.03 2.47 0.30 -1.44 114.94 113.42 3h45 s ASN 264 Ca 0.19 -0.03 -0.02 0.00 0.42 0.00 0.00 52.86 53.42 3h45 s ASN 264 Cb 0.05 -0.12 -0.01 0.00 -1.45 0.00 0.00 41.25 39.73 3h45 s ASN 264 CO -0.00 -0.04 -0.09 -0.89 -3.72 0.00 0.00 177.10 172.35 3h45 s THR 265 N 0.54 3.10 -0.59 -5.21 2.01 -1.12 -1.69 115.64 112.68 3h45 s THR 265 Ca -0.05 -0.60 -0.19 0.00 0.31 0.00 0.00 61.69 61.16 3h45 s THR 265 Cb -0.08 -2.37 0.10 0.00 0.01 0.00 0.00 72.50 70.15 3h45 s THR 265 CO -0.01 0.47 0.71 -0.31 -0.69 0.00 0.00 174.62 174.78 3h45 s TYR 266 N 1.18 2.98 0.00 4.92 2.02 0.55 -2.39 117.35 126.62 3h45 s TYR 266 Ca 0.02 -0.89 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 3h45 s TYR 266 Cb -0.14 -3.98 0.00 0.00 -0.40 0.00 0.00 41.96 37.44 3h45 s TYR 266 CO -0.03 -1.29 0.00 0.41 -1.57 0.00 0.00 175.55 173.07 3h45 n GLY 267 N 5.27 5.58 0.38 0.71 0.00 -1.26 -2.51 105.19 113.36 3h45 n GLY 267 Ca -0.09 -1.04 0.20 0.00 0.00 0.00 0.00 46.02 45.09 3h45 n GLY 267 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h45 h THR 268 N 0.00 0.54 -3.54 2.61 2.02 -1.93 -0.04 112.91 112.57 3h45 h THR 268 Ca 0.00 -0.17 -0.40 0.00 0.77 0.00 0.00 66.41 66.61 3h45 h THR 268 Cb 0.00 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.27 3h45 h THR 268 CO 0.00 0.09 -0.60 -0.83 0.37 0.00 0.00 175.52 174.55 3h45 s GLY 269 N -3.91 1.92 0.00 2.16 0.00 -1.26 -1.27 107.32 104.97 3h45 s GLY 269 Ca -0.10 -1.84 0.02 0.00 0.00 0.00 0.00 44.72 42.80 3h45 s GLY 269 CO 0.80 -1.65 -0.01 0.00 0.00 0.00 0.00 173.10 172.23 3h45 s ALA 270 N -3.60 3.23 -0.21 3.20 0.00 0.93 -4.57 121.76 120.72 3h45 s ALA 270 Ca 0.36 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 3h45 s ALA 270 Cb 0.07 -1.30 0.08 0.00 0.00 0.00 0.00 23.12 21.98 3h45 s ALA 270 CO 0.15 0.64 0.15 -0.06 0.00 0.00 0.00 175.76 176.64 3h45 s PHE 271 N -1.07 0.03 -0.18 0.00 0.08 -1.01 -1.33 117.98 114.51 3h45 s PHE 271 Ca 0.19 -0.27 -0.24 0.00 0.12 0.00 0.00 56.93 56.73 3h45 s PHE 271 Cb -0.11 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 3h45 s PHE 271 CO 0.10 -0.64 0.77 0.42 -0.10 0.00 0.00 175.22 175.77 3h45 s ILE 272 N 2.20 4.92 -0.05 0.64 1.09 -1.06 -2.80 121.20 126.14 3h45 s ILE 272 Ca 0.05 1.49 0.02 0.00 -1.10 0.00 0.00 60.65 61.11 3h45 s ILE 272 Cb -0.16 -4.07 0.01 0.00 -1.06 0.00 0.00 42.46 37.18 3h45 s ILE 272 CO -0.18 0.05 -0.10 -0.69 -0.10 0.00 0.00 174.94 173.93 3h45 s VAL 273 N 2.08 0.93 -0.09 2.92 1.01 -0.52 -1.44 120.40 125.30 3h45 s VAL 273 Ca 0.35 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3h45 s VAL 273 Cb -0.16 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3h45 s VAL 273 CO 0.12 0.31 -0.20 -0.32 0.00 0.00 0.00 175.10 175.00 3h45 s MET 274 N 0.69 2.58 0.08 2.72 0.00 0.78 -2.15 119.30 124.01 3h45 s MET 274 Ca -0.13 -0.72 -0.31 0.00 0.00 0.00 0.00 55.69 54.54 3h45 s MET 274 Cb -0.15 -2.00 -0.07 0.00 0.00 0.00 0.00 34.83 32.61 3h45 s MET 274 CO 0.02 0.12 1.40 1.21 0.00 0.00 0.00 175.02 177.77 3h45 s ASN 275 N 0.47 6.83 -0.07 1.11 3.84 -0.72 -0.19 114.94 126.21 3h45 s ASN 275 Ca -0.17 2.26 0.10 0.00 0.21 0.00 0.00 52.86 55.26 3h45 s ASN 275 Cb -0.17 -2.58 0.22 0.00 -0.55 0.00 0.00 41.25 38.17 3h45 s ASN 275 CO 0.07 -0.67 1.15 0.35 -2.79 0.00 0.00 177.10 175.21 3h45 n THR 276 N 4.18 1.47 -4.19 -5.21 -2.24 0.45 -0.33 114.28 108.41 3h45 n THR 276 Ca 0.12 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.37 3h45 n THR 276 Cb 0.43 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3h45 n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h45 n GLY 277 N -0.63 -1.68 0.00 3.38 0.00 -1.25 -3.99 105.19 101.03 3h45 n GLY 277 Ca 0.10 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.88 3h45 n GLY 277 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h45 n GLU 278 N -0.29 0.14 -4.46 1.61 1.02 -1.26 -0.58 120.64 116.83 3h45 n GLU 278 Ca 0.00 0.18 -0.34 0.00 -0.02 0.00 0.00 57.16 56.99 3h45 n GLU 278 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.79 3h45 n GLU 278 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3h45 s GLU 279 N -2.70 3.54 0.34 3.49 0.41 -1.26 -4.79 118.70 117.73 3h45 s GLU 279 Ca 0.12 -0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 53.80 3h45 s GLU 279 Cb 0.10 -2.83 -0.11 0.00 -1.78 0.00 0.00 34.13 29.50 3h45 s GLU 279 CO 0.23 0.17 1.50 -2.14 -0.49 0.00 0.00 175.26 174.53 3h45 s PRO 280 N 0.52 4.14 -0.05 0.39 0.02 -1.26 -4.82 135.00 133.94 3h45 s PRO 280 Ca -0.05 2.53 -0.37 0.00 0.02 0.00 0.00 61.00 63.12 3h45 s PRO 280 Cb -0.15 -3.00 -0.15 0.00 0.02 0.00 0.00 34.50 31.22 3h45 s PRO 280 CO 0.03 -0.52 1.58 0.94 -0.33 0.00 0.00 177.00 178.70 3h45 n GLN 281 N 1.04 1.40 -0.19 5.54 -0.06 -1.26 -4.86 117.38 118.99 3h45 n GLN 281 Ca 0.03 0.51 0.00 0.00 -2.00 0.00 0.00 57.00 55.54 3h45 n GLN 281 Cb 0.39 -2.21 0.09 0.00 -4.06 0.00 0.00 30.24 24.45 3h45 n GLN 281 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 3h45 h LEU 282 N 6.22 -0.23 -8.07 1.69 5.85 -1.91 -3.39 115.31 115.46 3h45 h LEU 282 Ca -0.47 0.14 -0.58 0.00 0.84 0.00 0.00 57.88 57.81 3h45 h LEU 282 Cb 1.31 0.25 -0.34 0.00 0.37 0.00 0.00 40.66 42.25 3h45 h LEU 282 CO 0.88 -0.09 -0.84 -0.55 -0.34 0.00 0.00 178.44 177.49 3h45 s SER 283 N -5.24 2.34 -0.23 1.25 0.15 -1.26 -5.01 113.70 105.69 3h45 s SER 283 Ca -0.13 -0.41 0.18 0.00 0.70 0.00 0.00 55.95 56.29 3h45 s SER 283 Cb 0.18 -1.06 0.48 0.00 -1.71 0.00 0.00 66.02 63.91 3h45 s SER 283 CO 0.73 0.05 1.15 -0.90 1.20 0.00 0.00 173.24 175.48 3h45 n ASP 284 N 3.90 2.46 0.00 5.45 3.85 -1.26 -4.60 116.55 126.35 3h45 n ASP 284 Ca -0.20 -2.64 0.00 0.00 -0.71 0.00 0.00 54.79 51.24 3h45 n ASP 284 Cb 0.52 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 3h45 n ASP 284 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3h45 n ASN 285 N -0.53 0.00 -2.23 -1.12 5.15 -1.26 -1.54 115.26 113.72 3h45 n ASN 285 Ca 0.18 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.91 3h45 n ASN 285 Cb 0.88 0.00 0.17 0.00 -0.53 0.00 0.00 39.78 40.30 3h45 n ASN 285 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3h45 n ASP 286 N -0.11 4.13 -1.22 1.20 8.00 -1.26 -4.96 116.55 122.33 3h45 n ASP 286 Ca 0.00 -3.63 0.00 0.00 0.71 0.00 0.00 54.79 51.87 3h45 n ASP 286 Cb 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 3h45 n ASP 286 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3h45 n LEU 287 N -1.13 0.00 -4.38 0.64 4.77 -0.59 -4.52 117.00 111.79 3h45 n LEU 287 Ca 0.60 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 56.26 3h45 n LEU 287 Cb 1.58 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 42.52 3h45 n LEU 287 CO 0.63 0.00 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.43 3h45 s LEU 288 N 0.00 2.49 -0.24 2.23 1.43 -0.31 -4.86 118.68 119.42 3h45 s LEU 288 Ca 0.00 -0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 52.67 3h45 s LEU 288 Cb 0.00 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3h45 s LEU 288 CO 0.00 0.27 0.12 -0.89 0.23 0.00 0.00 176.35 176.08 3h45 s THR 289 N -0.30 4.93 0.27 5.49 2.01 0.11 -1.29 115.64 126.87 3h45 s THR 289 Ca 0.02 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.10 3h45 s THR 289 Cb -0.13 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 3h45 s THR 289 CO 0.03 0.35 0.24 0.35 -0.69 0.00 0.00 174.62 174.90 3h45 n THR 290 N 4.43 0.00 -3.64 -0.82 -2.24 -0.67 -4.09 114.28 107.24 3h45 n THR 290 Ca -0.15 -1.94 -0.37 0.00 -2.27 0.00 0.00 64.05 59.31 3h45 n THR 290 Cb 0.52 0.98 -0.11 0.00 -2.10 0.00 0.00 70.33 69.62 3h45 n THR 290 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3h45 s ILE 291 N -3.07 5.12 -0.06 2.28 1.01 -1.26 -0.93 121.20 124.28 3h45 s ILE 291 Ca 0.32 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.91 3h45 s ILE 291 Cb 0.01 -3.42 -0.11 0.00 0.01 0.00 0.00 42.46 38.96 3h45 s ILE 291 CO 0.22 0.29 0.63 1.23 0.00 0.00 0.00 174.94 177.31 3h45 h GLY 292 N 8.17 -0.32 -3.74 6.18 0.00 -1.42 -3.39 103.07 108.55 3h45 h GLY 292 Ca -0.36 0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.20 3h45 h GLY 292 CO 0.58 -0.12 0.53 -2.52 0.00 0.00 0.00 176.54 175.01 3h45 s TYR 293 N -3.03 -0.34 -0.19 5.60 -0.85 -0.93 -4.64 117.35 112.97 3h45 s TYR 293 Ca -0.09 0.35 0.01 0.00 -0.52 0.00 0.00 57.07 56.82 3h45 s TYR 293 Cb 0.00 0.51 0.03 0.00 0.38 0.00 0.00 41.96 42.88 3h45 s TYR 293 CO 0.31 -0.46 -0.15 0.20 -1.52 0.00 0.00 175.55 173.94 3h45 s GLY 294 N -2.01 1.33 0.07 5.49 0.00 -1.26 -0.74 107.32 110.21 3h45 s GLY 294 Ca 0.03 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 3h45 s GLY 294 CO -0.05 0.49 0.07 -1.50 0.00 0.00 0.00 173.10 172.11 3h45 s ILE 295 N 1.34 0.18 -1.28 0.90 2.07 -0.61 -1.33 121.20 122.47 3h45 s ILE 295 Ca 0.01 -1.58 -0.14 0.00 -1.41 0.00 0.00 60.65 57.54 3h45 s ILE 295 Cb -0.15 -1.51 0.13 0.00 0.13 0.00 0.00 42.46 41.05 3h45 s ILE 295 CO -0.10 -0.81 0.47 0.59 -1.91 0.00 0.00 174.94 173.18 3h45 n ASN 296 N 0.02 -2.49 0.00 4.50 3.02 -1.26 -0.20 115.26 118.84 3h45 n ASN 296 Ca -0.13 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3h45 n ASN 296 Cb 0.62 -2.12 0.00 0.00 -0.61 0.00 0.00 39.78 37.66 3h45 n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h45 n GLY 297 N -1.03 0.95 3.51 7.41 0.00 -1.26 -5.01 105.19 109.76 3h45 n GLY 297 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3h45 n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h45 s LYS 298 N -0.05 1.84 -0.20 1.61 1.02 0.72 -5.12 119.74 119.56 3h45 s LYS 298 Ca 0.00 -1.47 -0.01 0.00 0.02 0.00 0.00 55.97 54.51 3h45 s LYS 298 Cb 0.00 -1.98 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 3h45 s LYS 298 CO 0.00 0.39 -0.12 0.08 -0.92 0.00 0.00 175.35 174.78 3h45 s VAL 299 N -1.93 2.73 -0.20 3.17 1.01 -1.26 -1.57 120.40 122.35 3h45 s VAL 299 Ca 0.25 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 3h45 s VAL 299 Cb -0.07 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3h45 s VAL 299 CO 0.14 0.48 0.07 -0.31 0.00 0.00 0.00 175.10 175.48 3h45 s TYR 300 N 1.36 3.20 0.51 5.22 2.02 0.08 -4.32 117.35 125.42 3h45 s TYR 300 Ca 0.05 -0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3h45 s TYR 300 Cb -0.14 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.30 3h45 s TYR 300 CO -0.08 0.01 0.77 0.71 -1.57 0.00 0.00 175.55 175.39 3h45 s TYR 301 N 0.75 3.23 0.07 2.71 2.02 0.25 -1.30 117.35 125.09 3h45 s TYR 301 Ca 0.03 0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 57.08 3h45 s TYR 301 Cb -0.13 -2.49 -0.02 0.00 -0.40 0.00 0.00 41.96 38.92 3h45 s TYR 301 CO 0.02 -0.55 0.09 0.00 -1.57 0.00 0.00 175.55 173.54 3h45 s ALA 302 N -2.73 0.11 -0.13 3.71 0.00 -0.11 -0.41 121.76 122.19 3h45 s ALA 302 Ca 0.51 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.60 3h45 s ALA 302 Cb -0.10 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 3h45 s ALA 302 CO 0.41 -0.44 -0.16 -0.51 0.00 0.00 0.00 175.76 175.06 3h45 s LEU 303 N -2.85 2.49 0.06 0.00 1.43 0.73 -1.67 118.68 118.88 3h45 s LEU 303 Ca 0.05 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 3h45 s LEU 303 Cb 0.06 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 3h45 s LEU 303 CO -0.10 0.13 -0.15 -0.70 0.23 0.00 0.00 176.35 175.76 3h45 s GLU 304 N 0.52 0.92 -0.18 1.70 2.12 -0.41 -0.15 118.70 123.22 3h45 s GLU 304 Ca -0.11 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 54.31 3h45 s GLU 304 Cb -0.16 -0.96 0.04 0.00 0.26 0.00 0.00 34.13 33.31 3h45 s GLU 304 CO 0.04 0.22 -0.07 0.20 -0.54 0.00 0.00 175.26 175.12 3h45 s GLY 305 N -1.53 1.08 -0.17 -1.50 0.00 -0.52 -1.16 107.32 103.52 3h45 s GLY 305 Ca 0.01 -0.98 -0.17 0.00 0.00 0.00 0.00 44.72 43.58 3h45 s GLY 305 CO 0.02 0.85 0.43 -0.56 0.00 0.00 0.00 173.10 173.84 3h45 s SER 306 N 1.54 6.54 -0.49 1.64 0.01 -1.26 -2.57 113.70 119.10 3h45 s SER 306 Ca -0.00 0.64 0.02 0.00 1.31 0.00 0.00 55.95 57.91 3h45 s SER 306 Cb -0.16 -2.25 0.13 0.00 0.21 0.00 0.00 66.02 63.95 3h45 s SER 306 CO -0.08 -0.05 0.25 -0.63 0.41 0.00 0.00 173.24 173.14 3h45 s ILE 307 N 1.03 2.84 0.18 1.44 1.01 -0.44 -1.49 121.20 125.78 3h45 s ILE 307 Ca 0.22 -2.91 -0.14 0.00 0.00 0.00 0.00 60.65 57.82 3h45 s ILE 307 Cb -0.15 -2.96 0.12 0.00 0.01 0.00 0.00 42.46 39.48 3h45 s ILE 307 CO 0.08 -0.76 1.69 -0.26 0.00 0.00 0.00 174.94 175.69 3h45 h PHE 308 N 7.01 0.01 -3.63 3.97 0.04 -1.91 0.26 116.94 122.70 3h45 h PHE 308 Ca -0.06 0.03 -0.70 0.00 2.80 0.00 0.00 57.97 60.04 3h45 h PHE 308 Cb 0.95 0.07 -0.26 0.00 2.20 0.00 0.00 35.95 38.90 3h45 h PHE 308 CO 0.55 -0.08 -0.56 0.08 -0.60 0.00 0.00 178.31 177.69 3h45 s VAL 309 N -6.16 4.20 0.00 -0.55 1.01 -1.26 -4.01 120.40 113.62 3h45 s VAL 309 Ca -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3h45 s VAL 309 Cb 0.16 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3h45 s VAL 309 CO 0.72 -0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.65 3h45 n ALA 310 N 4.91 2.16 -0.08 5.51 0.00 -0.39 -4.78 120.51 127.84 3h45 n ALA 310 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 3h45 n ALA 310 Cb 0.46 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.99 3h45 n ALA 310 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h45 h GLY 311 N 0.00 0.83 2.00 0.00 0.00 0.27 -2.68 103.07 103.48 3h45 h GLY 311 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3h45 h GLY 311 CO 0.00 0.67 0.00 1.48 0.00 0.00 0.00 176.54 178.69 3h45 h SER 312 N 0.66 0.00 -0.10 0.19 4.64 -1.76 0.04 113.55 117.21 3h45 h SER 312 Ca 0.08 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.25 3h45 h SER 312 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3h45 h SER 312 CO 0.06 0.00 -0.45 0.00 -0.87 0.00 0.00 176.83 175.57 3h45 h ALA 313 N 2.08 0.73 -0.06 5.18 0.00 -1.76 -1.64 119.26 123.79 3h45 h ALA 313 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 3h45 h ALA 313 Cb 0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h45 h ALA 313 CO 0.00 0.67 -0.79 0.82 0.00 0.00 0.00 179.25 179.94 3h45 h ILE 314 N 0.53 1.37 -0.06 0.00 1.08 -1.10 -2.82 117.51 116.51 3h45 h ILE 314 Ca 0.03 -2.21 -0.05 0.00 -0.39 0.00 0.00 64.86 62.25 3h45 h ILE 314 Cb 0.99 2.18 -0.01 0.00 -3.07 0.00 0.00 36.82 36.91 3h45 h ILE 314 CO 0.09 0.67 -0.19 -0.61 -0.69 0.00 0.00 178.15 177.42 3h45 h GLN 315 N 0.29 0.10 -0.10 2.37 4.15 -1.15 -1.16 115.11 119.61 3h45 h GLN 315 Ca -0.05 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.21 3h45 h GLN 315 Cb 1.39 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 3h45 h GLN 315 CO 0.14 0.29 -0.56 2.35 -1.93 0.00 0.00 178.83 179.11 3h45 h TRP 316 N 0.09 0.37 -0.35 3.99 7.01 -1.16 0.69 115.95 126.59 3h45 h TRP 316 Ca 0.02 -0.13 -0.09 0.00 2.11 0.00 0.00 58.89 60.79 3h45 h TRP 316 Cb 0.39 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 3h45 h TRP 316 CO 0.00 0.79 -0.17 -0.07 -2.79 0.00 0.00 178.44 176.20 3h45 h LEU 317 N 0.23 0.64 0.23 0.65 3.38 -1.01 0.31 115.31 119.73 3h45 h LEU 317 Ca 0.00 -0.20 -0.34 0.00 0.09 0.00 0.00 57.88 57.43 3h45 h LEU 317 Cb 1.06 -0.17 0.03 0.00 0.09 0.00 0.00 40.66 41.66 3h45 h LEU 317 CO 0.09 0.82 -1.55 -0.09 0.09 0.00 0.00 178.44 177.80 3h45 h ARG 318 N 0.58 0.48 0.00 1.13 1.12 -0.73 0.27 114.38 117.23 3h45 h ARG 318 Ca 0.09 -0.82 -0.14 0.00 -1.11 0.00 0.00 59.98 58.01 3h45 h ARG 318 Cb 0.62 0.30 -0.03 0.00 -0.01 0.00 0.00 29.97 30.85 3h45 h ARG 318 CO 0.04 1.39 -2.01 -0.25 -3.11 0.00 0.00 179.97 176.03 3h45 n ASP 319 N -3.66 0.70 -0.01 -3.80 8.00 0.24 -4.12 116.55 113.89 3h45 n ASP 319 Ca -0.19 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.31 3h45 n ASP 319 Cb 1.09 1.45 -0.00 0.00 -0.02 0.00 0.00 41.12 43.64 3h45 n ASP 319 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3h45 h GLY 320 N 3.44 0.00 2.00 0.44 0.00 -0.57 -3.41 103.07 104.97 3h45 h GLY 320 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3h45 h GLY 320 CO 0.01 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.96 3h45 h LEU 321 N -0.16 0.00 0.04 3.11 3.38 -1.55 -3.47 115.31 116.67 3h45 h LEU 321 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3h45 h LEU 321 Cb 0.08 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.89 3h45 h LEU 321 CO 0.00 0.00 -0.65 0.54 0.09 0.00 0.00 178.44 178.42 3h45 n ARG 322 N -2.82 -5.95 0.20 1.13 1.74 -0.85 -4.87 116.66 105.23 3h45 n ARG 322 Ca 0.04 0.80 0.10 0.00 -0.77 0.00 0.00 57.85 58.02 3h45 n ARG 322 Cb 0.47 -5.73 0.13 0.00 -1.02 0.00 0.00 32.46 26.31 3h45 n ARG 322 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3h45 h MET 323 N -1.92 0.00 -5.52 5.56 4.05 -0.76 -3.45 114.93 112.89 3h45 h MET 323 Ca -0.54 0.00 -0.44 0.00 -0.28 0.00 0.00 59.70 58.44 3h45 h MET 323 Cb 1.36 0.00 -0.21 0.00 -0.80 0.00 0.00 31.60 31.95 3h45 h MET 323 CO 0.58 0.12 -0.78 0.96 0.23 0.00 0.00 176.91 178.01 3h45 s ILE 324 N -3.15 1.27 0.02 1.77 -4.36 -1.14 -5.02 121.20 110.60 3h45 s ILE 324 Ca 0.06 -1.43 -0.00 0.00 -0.26 0.00 0.00 60.65 59.02 3h45 s ILE 324 Cb 0.06 -1.25 -0.26 0.00 1.25 0.00 0.00 42.46 42.25 3h45 s ILE 324 CO 0.69 -0.23 0.92 -0.33 0.24 0.00 0.00 174.94 176.23 3h45 h GLU 325 N 4.11 0.19 -3.72 0.37 5.08 -1.91 -3.40 114.58 115.30 3h45 h GLU 325 Ca -0.42 -0.32 -0.21 0.00 -1.00 0.00 0.00 59.36 57.41 3h45 h GLU 325 Cb 1.19 0.12 -0.26 0.00 0.50 0.00 0.00 28.75 30.30 3h45 h GLU 325 CO 0.42 1.04 -0.68 -0.08 -1.00 0.00 0.00 179.01 178.71 3h45 s THR 326 N -2.63 0.03 0.13 1.13 -1.32 -1.26 -5.04 115.64 106.67 3h45 s THR 326 Ca -0.07 -0.21 -0.20 0.00 -1.21 0.00 0.00 61.69 60.00 3h45 s THR 326 Cb 0.07 -0.11 -0.01 0.00 -1.51 0.00 0.00 72.50 70.94 3h45 s THR 326 CO 0.85 -0.12 1.69 0.28 -2.21 0.00 0.00 174.62 175.11 3h45 h SER 327 N 5.73 -0.31 -0.12 8.08 0.02 -1.90 -0.05 113.55 125.01 3h45 h SER 327 Ca -0.26 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 60.80 3h45 h SER 327 Cb 1.21 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 3h45 h SER 327 CO 0.47 -0.12 0.28 -0.65 -1.14 0.00 0.00 176.83 175.67 3h45 h PRO 328 N -0.07 0.00 0.00 3.45 0.11 -1.98 -0.40 132.00 133.11 3h45 h PRO 328 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3h45 h PRO 328 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 3h45 h PRO 328 CO -0.24 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 178.49 3h45 n GLN 329 N -3.28 0.16 0.07 1.05 7.27 -0.03 -3.16 117.38 119.46 3h45 n GLN 329 Ca 0.00 0.40 -0.02 0.00 0.07 0.00 0.00 57.00 57.45 3h45 n GLN 329 Cb 0.37 -1.81 0.24 0.00 2.41 0.00 0.00 30.24 31.44 3h45 n GLN 329 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3h45 h SER 330 N 0.00 0.34 0.67 1.69 4.64 -1.13 -2.55 113.55 117.21 3h45 h SER 330 Ca 0.00 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.14 3h45 h SER 330 Cb 0.34 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3h45 h SER 330 CO 0.00 0.64 -0.30 -0.08 -0.87 0.00 0.00 176.83 176.22 3h45 h GLU 331 N 0.30 0.00 -0.02 4.77 4.81 -1.76 -0.26 114.58 122.42 3h45 h GLU 331 Ca 0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3h45 h GLU 331 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3h45 h GLU 331 CO 0.05 0.30 -0.04 0.93 -0.73 0.00 0.00 179.01 179.52 3h45 h GLU 332 N 0.00 0.06 -0.30 1.92 5.08 -1.65 -2.89 114.58 116.80 3h45 h GLU 332 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3h45 h GLU 332 Cb 0.71 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3h45 h GLU 332 CO 0.04 0.62 0.12 -0.07 -1.00 0.00 0.00 179.01 178.72 3h45 h LEU 333 N -0.49 0.42 -1.45 1.33 3.38 -1.28 -2.62 115.31 114.61 3h45 h LEU 333 Ca 0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3h45 h LEU 333 Cb 0.62 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3h45 h LEU 333 CO 0.01 0.47 -0.04 0.00 0.09 0.00 0.00 178.44 178.97 3h45 h ALA 334 N 0.96 1.55 0.00 1.53 0.00 -1.14 -1.18 119.26 120.98 3h45 h ALA 334 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3h45 h ALA 334 Cb 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h45 h ALA 334 CO -0.01 0.33 -0.12 0.00 0.00 0.00 0.00 179.25 179.45 3h45 h ALA 335 N 1.66 0.97 -0.18 0.00 0.00 -1.37 -2.59 119.26 117.75 3h45 h ALA 335 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h45 h ALA 335 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h45 h ALA 335 CO 0.01 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.04 3h45 n LYS 336 N -3.19 1.93 -1.87 0.00 5.02 -0.49 -4.94 118.16 114.61 3h45 n LYS 336 Ca 0.02 -1.38 -0.41 0.00 -2.02 0.00 0.00 58.31 54.51 3h45 n LYS 336 Cb 0.45 -1.44 -0.01 0.00 -0.02 0.00 0.00 35.03 34.01 3h45 n LYS 336 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h45 s ALA 337 N -1.78 3.62 -0.03 7.82 0.00 -0.95 -4.94 121.76 125.51 3h45 s ALA 337 Ca 0.34 1.49 0.05 0.00 0.00 0.00 0.00 51.96 53.84 3h45 s ALA 337 Cb 0.19 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 3h45 s ALA 337 CO 0.29 -0.93 0.06 0.36 0.00 0.00 0.00 175.76 175.54 3h45 n LYS 338 N 1.33 1.81 -0.76 0.00 0.00 -1.26 -5.00 118.16 114.28 3h45 n LYS 338 Ca 0.04 -0.02 -0.29 0.00 -0.00 0.00 0.00 58.31 58.04 3h45 n LYS 338 Cb 0.39 -1.13 0.10 0.00 -0.00 0.00 0.00 35.03 34.40 3h45 n LYS 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h45 n GLY 339 N 2.46 -2.53 0.23 2.58 0.00 -1.26 -4.84 105.19 101.83 3h45 n GLY 339 Ca -0.05 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.65 3h45 n GLY 339 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h45 h ASP 340 N -1.82 0.00 -0.60 1.61 3.45 -1.98 -3.46 116.42 113.62 3h45 h ASP 340 Ca -0.38 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.03 3h45 h ASP 340 Cb 1.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3h45 h ASP 340 CO 0.24 0.00 -0.07 -3.20 -1.57 0.00 0.00 179.24 174.64 3h45 n ASN 341 N -2.81 -1.80 -1.20 6.45 5.15 -1.26 -4.92 115.26 114.87 3h45 n ASN 341 Ca 0.01 -0.01 0.11 0.00 -0.60 0.00 0.00 54.58 54.09 3h45 n ASN 341 Cb 0.26 -1.08 0.28 0.00 -0.53 0.00 0.00 39.78 38.70 3h45 n ASN 341 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3h45 n GLU 342 N -1.23 2.52 -3.67 1.20 0.28 -1.26 -4.93 120.64 113.55 3h45 n GLU 342 Ca -0.03 -2.34 -0.37 0.00 -0.16 0.00 0.00 57.16 54.27 3h45 n GLU 342 Cb 0.52 -1.52 -0.06 0.00 1.43 0.00 0.00 31.44 31.81 3h45 n GLU 342 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3h45 s VAL 343 N -1.26 5.22 -0.02 3.84 1.01 -1.26 -4.42 120.40 123.51 3h45 s VAL 343 Ca 0.43 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.89 3h45 s VAL 343 Cb 0.23 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3h45 s VAL 343 CO 0.31 0.50 -0.04 -0.31 0.00 0.00 0.00 175.10 175.57 3h45 s TYR 344 N -1.16 0.53 -0.12 5.22 2.02 -0.76 -4.79 117.35 118.29 3h45 s TYR 344 Ca 0.24 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 3h45 s TYR 344 Cb -0.14 -0.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 3h45 s TYR 344 CO 0.12 -0.10 -0.21 0.08 -1.57 0.00 0.00 175.55 173.87 3h45 s VAL 345 N 0.49 2.23 -0.50 0.71 1.01 -1.26 -0.61 120.40 122.47 3h45 s VAL 345 Ca -0.06 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.00 3h45 s VAL 345 Cb -0.09 -1.88 0.13 0.00 0.00 0.00 0.00 36.38 34.54 3h45 s VAL 345 CO -0.00 0.55 0.25 -0.69 0.00 0.00 0.00 175.10 175.21 3h45 s VAL 346 N 0.49 2.80 0.00 2.92 1.01 0.32 -4.62 120.40 123.33 3h45 s VAL 346 Ca -0.14 -2.97 0.00 0.00 0.00 0.00 0.00 61.98 58.87 3h45 s VAL 346 Cb -0.17 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3h45 s VAL 346 CO 0.05 -0.77 1.20 -0.81 0.00 0.00 0.00 175.10 174.78 3h45 n PRO 347 N 3.52 0.72 -1.23 2.72 -0.04 -1.26 -0.61 135.00 138.82 3h45 n PRO 347 Ca 0.05 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.15 3h45 n PRO 347 Cb 0.36 -1.14 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 3h45 n PRO 347 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h45 n ALA 348 N 1.30 6.35 -0.35 0.55 0.00 -1.26 -4.67 120.51 122.44 3h45 n ALA 348 Ca 0.00 -3.21 0.08 0.00 0.00 0.00 0.00 53.44 50.31 3h45 n ALA 348 Cb 0.36 -3.33 0.25 0.00 0.00 0.00 0.00 19.45 16.73 3h45 n ALA 348 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3h45 h PHE 349 N 5.63 1.07 -0.38 0.00 0.04 -1.88 -1.48 116.94 119.94 3h45 h PHE 349 Ca 0.72 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 61.40 3h45 h PHE 349 Cb 0.33 -0.33 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 3h45 h PHE 349 CO 1.80 0.37 0.03 0.25 -0.60 0.00 0.00 178.31 180.17 3h45 n THR 350 N -4.68 2.50 0.00 -1.55 -2.24 -1.26 -4.67 114.28 102.38 3h45 n THR 350 Ca 0.19 -2.17 0.00 0.00 -2.27 0.00 0.00 64.05 59.80 3h45 n THR 350 Cb 0.40 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3h45 n THR 350 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h45 n GLY 351 N -0.73 2.07 3.77 3.38 0.00 -0.60 -4.84 105.19 108.25 3h45 n GLY 351 Ca 0.30 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 3h45 n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h45 s LEU 352 N 0.00 4.50 0.00 0.99 1.43 0.56 -4.69 118.68 121.46 3h45 s LEU 352 Ca 0.00 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 3h45 s LEU 352 Cb 0.00 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.13 3h45 s LEU 352 CO 0.00 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.34 3h45 n GLY 353 N 2.05 0.92 3.72 -3.19 0.00 -1.26 -1.08 105.19 106.34 3h45 n GLY 353 Ca -0.06 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 3h45 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h45 n ALA 354 N -3.00 1.32 1.21 4.61 0.00 -0.55 -0.57 120.51 123.53 3h45 n ALA 354 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.65 3h45 n ALA 354 Cb 0.00 -2.31 0.28 0.00 0.00 0.00 0.00 19.45 17.43 3h45 n ALA 354 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h45 n PRO 355 N -0.87 1.65 -0.03 0.00 -0.04 -1.26 -4.70 135.00 129.75 3h45 n PRO 355 Ca 0.10 -0.99 -0.15 0.00 -0.04 0.00 0.00 63.50 62.42 3h45 n PRO 355 Cb 0.44 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 3h45 n PRO 355 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3h45 h TYR 356 N 1.82 0.43 -6.42 0.54 0.05 -1.13 -3.46 116.97 108.80 3h45 h TYR 356 Ca 0.00 -0.20 -0.38 0.00 0.05 0.00 0.00 58.73 58.20 3h45 h TYR 356 Cb 0.41 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.09 3h45 h TYR 356 CO 0.14 0.96 -0.84 0.91 -1.05 0.00 0.00 178.16 178.28 3h45 n TRP 357 N -4.42 -2.22 -3.72 4.88 7.02 0.03 -4.96 117.44 114.05 3h45 n TRP 357 Ca -0.09 0.85 -0.29 0.00 -1.02 0.00 0.00 57.50 56.95 3h45 n TRP 357 Cb 0.52 -3.11 -0.16 0.00 -2.42 0.00 0.00 31.31 26.15 3h45 n TRP 357 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h45 s ASP 358 N -3.04 3.58 0.30 -0.99 -1.08 -0.24 -4.99 116.67 110.20 3h45 s ASP 358 Ca 0.05 -1.29 0.26 0.00 -0.52 0.00 0.00 52.55 51.04 3h45 s ASP 358 Cb -0.02 -0.72 0.86 0.00 -1.46 0.00 0.00 42.92 41.58 3h45 s ASP 358 CO 0.87 -0.37 1.76 0.77 0.52 0.00 0.00 175.17 178.71 3h45 h SER 359 N 8.18 0.00 0.92 -0.34 4.64 -1.88 0.16 113.55 125.22 3h45 h SER 359 Ca -0.15 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.97 3h45 h SER 359 Cb 1.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 3h45 h SER 359 CO 0.42 0.00 -0.92 -0.33 -0.87 0.00 0.00 176.83 175.12 3h45 h GLU 360 N 0.00 0.00 -7.12 4.77 4.39 -1.94 -3.39 114.58 111.29 3h45 h GLU 360 Ca 0.00 -0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.15 3h45 h GLU 360 Cb 0.63 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.43 3h45 h GLU 360 CO 0.00 0.92 0.48 0.00 -1.16 0.00 0.00 179.01 179.25 3h45 s ALA 361 N -2.89 2.38 0.15 3.43 0.00 -1.22 -4.91 121.76 118.70 3h45 s ALA 361 Ca 0.01 1.08 0.05 0.00 0.00 0.00 0.00 51.96 53.10 3h45 s ALA 361 Cb 0.11 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3h45 s ALA 361 CO 0.81 -1.51 -0.12 1.03 0.00 0.00 0.00 175.76 175.97 3h45 s ARG 362 N -3.47 1.09 0.33 0.00 1.81 -1.26 -3.15 118.95 114.31 3h45 s ARG 362 Ca 0.79 -1.42 -0.28 0.00 -1.72 0.00 0.00 55.73 53.10 3h45 s ARG 362 Cb -0.33 -0.78 -0.13 0.00 -0.45 0.00 0.00 34.95 33.26 3h45 s ARG 362 CO 0.39 0.12 1.23 0.41 -0.68 0.00 0.00 175.30 176.77 3h45 n GLY 363 N -0.04 0.41 3.20 -3.53 0.00 -0.92 -4.65 105.19 99.66 3h45 n GLY 363 Ca -0.11 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 3h45 n GLY 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h45 s ALA 364 N -1.08 0.04 -0.00 4.61 0.00 0.22 -4.91 121.76 120.63 3h45 s ALA 364 Ca 0.56 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.72 3h45 s ALA 364 Cb -0.60 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3h45 s ALA 364 CO 0.62 -0.51 -0.13 0.08 0.00 0.00 0.00 175.76 175.82 3h45 s VAL 365 N -3.90 1.05 0.17 0.00 1.01 -1.26 -0.52 120.40 116.94 3h45 s VAL 365 Ca 0.09 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3h45 s VAL 365 Cb 0.05 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3h45 s VAL 365 CO -0.08 0.25 0.00 -0.36 0.00 0.00 0.00 175.10 174.92 3h45 s PHE 366 N -0.38 1.17 -1.00 5.22 0.08 0.22 -4.89 117.98 118.39 3h45 s PHE 366 Ca 0.05 -1.03 0.00 0.00 0.12 0.00 0.00 56.93 56.06 3h45 s PHE 366 Cb -0.05 -0.67 0.00 0.00 -0.57 0.00 0.00 43.02 41.73 3h45 s PHE 366 CO -0.00 -0.23 0.00 0.41 -0.10 0.00 0.00 175.22 175.29 3h45 n GLY 367 N -0.22 0.71 3.71 4.36 0.00 -1.26 -1.83 105.19 110.65 3h45 n GLY 367 Ca -0.07 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3h45 n GLY 367 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h45 s LEU 368 N -2.55 4.36 0.49 0.99 1.43 -1.26 -4.47 118.68 117.67 3h45 s LEU 368 Ca 0.00 1.71 0.02 0.00 -1.03 0.00 0.00 54.13 54.82 3h45 s LEU 368 Cb 0.00 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 3h45 s LEU 368 CO 0.00 -0.30 0.04 0.42 0.23 0.00 0.00 176.35 176.74 3h45 s THR 369 N 1.06 0.95 0.39 5.49 -4.23 -1.26 -5.02 115.64 113.03 3h45 s THR 369 Ca 0.53 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.13 3h45 s THR 369 Cb -0.22 -2.17 0.17 0.00 1.34 0.00 0.00 72.50 71.63 3h45 s THR 369 CO 0.28 0.00 1.94 -0.09 -0.54 0.00 0.00 174.62 176.21 3h45 h ARG 370 N 1.45 0.25 0.00 3.99 2.43 -2.07 -2.55 114.38 117.88 3h45 h ARG 370 Ca -0.41 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3h45 h ARG 370 Cb 1.31 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3h45 h ARG 370 CO 0.69 0.36 0.00 0.41 -1.51 0.00 0.00 179.97 179.91 3h45 n GLY 371 N -0.96 -1.12 3.71 2.80 0.00 -1.26 -4.85 105.19 103.51 3h45 n GLY 371 Ca -0.01 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3h45 n GLY 371 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h45 s THR 372 N -2.29 2.67 0.45 2.61 2.01 -0.96 -4.87 115.64 115.25 3h45 s THR 372 Ca 0.37 0.39 0.06 0.00 0.31 0.00 0.00 61.69 62.82 3h45 s THR 372 Cb 0.21 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 3h45 s THR 372 CO 0.41 0.02 0.22 0.42 -0.69 0.00 0.00 174.62 175.00 3h45 s THR 373 N 1.65 2.06 0.20 -0.82 -4.23 -1.26 -4.98 115.64 108.26 3h45 s THR 373 Ca 0.72 -1.66 -0.11 0.00 -1.18 0.00 0.00 61.69 59.46 3h45 s THR 373 Cb -0.43 -2.72 0.12 0.00 1.34 0.00 0.00 72.50 70.80 3h45 s THR 373 CO 0.32 0.00 1.78 0.50 -0.54 0.00 0.00 174.62 176.68 3h45 h LYS 374 N 1.25 0.52 -0.25 3.99 3.64 -1.99 -0.95 116.57 122.77 3h45 h LYS 374 Ca -0.42 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 58.99 3h45 h LYS 374 Cb 1.27 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 3h45 h LYS 374 CO 0.67 0.35 -0.14 0.93 -2.27 0.00 0.00 179.45 178.98 3h45 h GLU 375 N 0.54 -0.12 -0.25 1.90 3.07 -1.94 0.15 114.58 117.93 3h45 h GLU 375 Ca 0.27 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.20 3h45 h GLU 375 Cb 0.22 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.10 3h45 h GLU 375 CO -0.21 -0.08 -0.14 -0.44 -1.40 0.00 0.00 179.01 176.74 3h45 h ASP 376 N -0.12 -0.48 0.04 1.42 3.32 -1.64 0.18 116.42 119.15 3h45 h ASP 376 Ca 0.14 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.30 3h45 h ASP 376 Cb 0.33 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3h45 h ASP 376 CO -0.33 -0.18 -0.08 0.15 -1.72 0.00 0.00 179.24 177.09 3h45 h PHE 377 N -0.12 -0.19 -0.64 4.55 3.57 -0.53 0.26 116.94 123.84 3h45 h PHE 377 Ca 0.14 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3h45 h PHE 377 Cb 0.33 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 3h45 h PHE 377 CO -0.32 -0.12 0.40 0.28 -2.23 0.00 0.00 178.31 176.32 3h45 h VAL 378 N -0.15 1.11 -0.32 1.41 2.07 -0.40 -0.08 116.25 119.88 3h45 h VAL 378 Ca 0.02 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3h45 h VAL 378 Cb 0.17 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3h45 h VAL 378 CO -0.05 0.15 0.19 -0.09 0.02 0.00 0.00 177.57 177.79 3h45 h ARG 379 N 0.81 0.44 -0.65 1.57 2.43 -0.28 -1.25 114.38 117.45 3h45 h ARG 379 Ca 0.25 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3h45 h ARG 379 Cb -0.02 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3h45 h ARG 379 CO -0.08 0.34 0.43 0.00 -1.51 0.00 0.00 179.97 179.15 3h45 h ALA 380 N 1.08 1.54 -0.51 2.80 0.00 -0.56 -0.95 119.26 122.66 3h45 h ALA 380 Ca 0.12 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3h45 h ALA 380 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3h45 h ALA 380 CO -0.02 0.42 -0.13 1.15 0.00 0.00 0.00 179.25 180.67 3h45 h THR 381 N 0.87 1.27 -0.40 0.00 2.02 -0.42 -2.87 112.91 113.38 3h45 h THR 381 Ca 0.24 -1.28 -0.15 0.00 0.77 0.00 0.00 66.41 65.99 3h45 h THR 381 Cb -0.09 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3h45 h THR 381 CO -0.05 0.45 -0.35 -0.07 0.37 0.00 0.00 175.52 175.86 3h45 h LEU 382 N 0.84 1.01 -1.49 2.58 3.38 -0.69 -3.16 115.31 117.78 3h45 h LEU 382 Ca 0.13 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3h45 h LEU 382 Cb 0.70 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3h45 h LEU 382 CO 0.05 1.25 0.00 1.56 0.09 0.00 0.00 178.44 181.39 3h45 h GLN 383 N 0.78 0.00 -0.60 1.13 4.20 -1.11 -3.21 115.11 116.31 3h45 h GLN 383 Ca 0.07 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.82 3h45 h GLN 383 Cb 0.94 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.68 3h45 h GLN 383 CO 0.09 0.00 0.35 0.00 -0.67 0.00 0.00 178.83 178.60 3h45 h ALA 384 N 2.08 0.78 0.00 3.87 0.00 -1.47 -1.47 119.26 123.06 3h45 h ALA 384 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3h45 h ALA 384 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h45 h ALA 384 CO 0.00 0.07 -0.17 -0.24 0.00 0.00 0.00 179.25 178.90 3h45 h VAL 385 N 0.69 0.60 -0.19 0.00 3.04 -1.76 -2.25 116.25 116.37 3h45 h VAL 385 Ca 0.25 -0.78 -0.11 0.00 -1.01 0.00 0.00 66.70 65.05 3h45 h VAL 385 Cb 0.07 1.51 -0.00 0.00 -2.01 0.00 0.00 31.29 30.86 3h45 h VAL 385 CO -0.12 0.17 -0.31 0.00 -1.01 0.00 0.00 177.57 176.30 3h45 h ALA 386 N 1.83 0.29 0.07 3.17 0.00 -1.46 -2.82 119.26 120.34 3h45 h ALA 386 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3h45 h ALA 386 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h45 h ALA 386 CO 0.02 0.32 -0.03 1.88 0.00 0.00 0.00 179.25 181.44 3h45 h TYR 387 N 0.21 -0.08 0.00 0.00 0.05 -0.85 -2.91 116.97 113.38 3h45 h TYR 387 Ca 0.02 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3h45 h TYR 387 Cb 0.89 0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.65 3h45 h TYR 387 CO 0.09 0.11 -0.15 0.37 -1.05 0.00 0.00 178.16 177.53 3h45 h GLN 388 N -0.27 0.00 -0.34 4.88 4.15 -1.52 0.05 115.11 122.07 3h45 h GLN 388 Ca -0.01 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 3h45 h GLN 388 Cb 0.23 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3h45 h GLN 388 CO 0.02 0.15 0.01 0.77 -1.93 0.00 0.00 178.83 177.85 3h45 h SER 389 N 0.00 0.48 -0.22 -0.69 0.02 -1.31 0.16 113.55 111.99 3h45 h SER 389 Ca -0.00 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.69 3h45 h SER 389 Cb 0.35 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3h45 h SER 389 CO 0.02 0.54 -0.53 0.50 -1.14 0.00 0.00 176.83 176.22 3h45 h LYS 390 N 0.50 0.75 -0.66 3.45 3.64 -0.89 0.25 116.57 123.61 3h45 h LYS 390 Ca 0.11 -0.51 0.09 0.00 -1.27 0.00 0.00 60.65 59.07 3h45 h LYS 390 Cb 0.30 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.13 3h45 h LYS 390 CO 0.01 1.13 0.30 -0.44 -2.27 0.00 0.00 179.45 178.18 3h45 h ASP 391 N 0.47 0.37 -0.04 4.20 3.32 -0.27 0.16 116.42 124.64 3h45 h ASP 391 Ca -0.00 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3h45 h ASP 391 Cb 1.14 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3h45 h ASP 391 CO 0.12 0.22 -0.10 0.58 -1.72 0.00 0.00 179.24 178.33 3h45 h VAL 392 N 0.52 1.46 0.00 -1.35 2.07 -0.56 -2.35 116.25 116.05 3h45 h VAL 392 Ca 0.32 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 3h45 h VAL 392 Cb 0.35 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 3h45 h VAL 392 CO -0.27 0.41 -0.08 0.40 0.02 0.00 0.00 177.57 178.04 3h45 h ILE 393 N -0.42 0.68 0.00 4.57 2.04 -0.22 -0.93 117.51 123.23 3h45 h ILE 393 Ca -0.00 -0.33 -0.19 0.00 1.00 0.00 0.00 64.86 65.33 3h45 h ILE 393 Cb 0.72 1.20 0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3h45 h ILE 393 CO 0.02 0.08 -0.75 0.44 0.00 0.00 0.00 178.15 177.94 3h45 h ASP 394 N 0.00 0.66 0.12 1.72 5.19 -0.69 -2.02 116.42 121.40 3h45 h ASP 394 Ca -0.00 -0.76 -0.01 0.00 -0.62 0.00 0.00 57.03 55.64 3h45 h ASP 394 Cb 0.20 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 3h45 h ASP 394 CO 0.01 1.33 -0.05 0.74 -3.12 0.00 0.00 179.24 178.15 3h45 h THR 395 N 0.06 0.65 0.21 0.35 2.02 -0.76 -0.84 112.91 114.60 3h45 h THR 395 Ca -0.09 -0.22 -0.32 0.00 0.77 0.00 0.00 66.41 66.55 3h45 h THR 395 Cb 1.45 1.13 0.04 0.00 -1.74 0.00 0.00 68.15 69.03 3h45 h THR 395 CO 0.15 0.05 -1.37 0.24 0.37 0.00 0.00 175.52 174.97 3h45 h MET 396 N 0.00 0.55 -0.37 6.66 2.86 -1.10 -0.42 114.93 123.11 3h45 h MET 396 Ca -0.00 -0.88 0.04 0.00 -2.06 0.00 0.00 59.70 56.81 3h45 h MET 396 Cb 0.13 0.32 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 3h45 h MET 396 CO 0.01 1.41 0.13 0.87 1.06 0.00 0.00 176.91 180.39 3h45 h LYS 397 N 0.14 0.28 0.14 1.72 1.57 -0.50 -0.68 116.57 119.24 3h45 h LYS 397 Ca -0.23 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3h45 h LYS 397 Cb 2.06 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.31 3h45 h LYS 397 CO 0.26 0.19 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.04 3h45 h LYS 398 N 0.29 -0.18 0.00 3.15 3.64 -1.25 0.71 116.57 122.93 3h45 h LYS 398 Ca 0.17 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3h45 h LYS 398 Cb 0.14 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3h45 h LYS 398 CO -0.17 0.02 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.53 3h45 h ASP 399 N -0.35 0.00 -0.00 4.20 5.19 -0.84 -3.19 116.42 121.43 3h45 h ASP 399 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3h45 h ASP 399 Cb 0.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.79 3h45 h ASP 399 CO 0.03 0.06 -0.02 -1.54 -3.12 0.00 0.00 179.24 174.66 3h45 n SER 400 N -3.76 0.35 0.00 6.45 3.41 -0.28 -4.41 113.62 115.38 3h45 n SER 400 Ca -0.02 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 3h45 n SER 400 Cb 0.16 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 3h45 n SER 400 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h45 n GLY 401 N 0.70 0.70 3.48 5.00 0.00 0.25 -4.93 105.19 110.39 3h45 n GLY 401 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3h45 n GLY 401 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h45 s ILE 402 N -1.11 1.78 0.05 -0.61 1.01 -1.25 -4.98 121.20 116.09 3h45 s ILE 402 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.69 3h45 s ILE 402 Cb 0.00 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3h45 s ILE 402 CO 0.00 0.00 -0.03 -1.81 0.00 0.00 0.00 174.94 173.10 3h45 s ASP 403 N -2.94 4.87 -0.49 3.58 1.01 -1.26 -4.74 116.67 116.69 3h45 s ASP 403 Ca 0.68 -0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.81 3h45 s ASP 403 Cb -0.20 -1.15 0.14 0.00 1.01 0.00 0.00 42.92 42.73 3h45 s ASP 403 CO 0.61 0.22 0.30 -0.63 0.21 0.00 0.00 175.17 175.88 3h45 s ILE 404 N -1.18 1.70 -0.14 0.77 1.01 -1.26 -4.92 121.20 117.19 3h45 s ILE 404 Ca 0.22 -2.97 0.14 0.00 0.00 0.00 0.00 60.65 58.04 3h45 s ILE 404 Cb -0.11 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.22 3h45 s ILE 404 CO 0.14 -0.94 1.41 1.55 0.00 0.00 0.00 174.94 177.09 3h45 h PRO 405 N 6.34 0.00 -5.06 2.79 0.13 -1.98 -3.47 132.00 130.76 3h45 h PRO 405 Ca 0.04 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.78 3h45 h PRO 405 Cb 0.89 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.78 3h45 h PRO 405 CO 0.54 0.53 -0.77 -1.17 -0.23 0.00 0.00 178.00 176.90 3h45 s LEU 406 N -6.45 2.19 -0.09 1.56 2.96 -1.26 -2.20 118.68 115.39 3h45 s LEU 406 Ca 0.03 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3h45 s LEU 406 Cb 0.08 -0.46 0.04 0.00 0.50 0.00 0.00 46.19 46.34 3h45 s LEU 406 CO 0.75 -0.03 0.04 -0.22 -1.32 0.00 0.00 176.35 175.57 3h45 s LEU 407 N -1.23 0.45 0.16 -0.68 2.96 -0.58 -4.73 118.68 115.02 3h45 s LEU 407 Ca -0.01 -0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 53.52 3h45 s LEU 407 Cb -0.08 -0.31 -0.08 0.00 0.50 0.00 0.00 46.19 46.22 3h45 s LEU 407 CO 0.01 -0.25 0.67 -0.54 -1.32 0.00 0.00 176.35 174.92 3h45 s LYS 408 N 2.06 4.26 0.06 1.98 1.02 -0.99 -1.07 119.74 127.06 3h45 s LYS 408 Ca 0.04 0.83 0.02 0.00 0.02 0.00 0.00 55.97 56.88 3h45 s LYS 408 Cb -0.13 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 3h45 s LYS 408 CO -0.05 0.50 -0.07 0.14 -0.92 0.00 0.00 175.35 174.95 3h45 s VAL 409 N -1.34 0.54 0.00 3.17 -7.23 -0.77 -0.54 120.40 114.23 3h45 s VAL 409 Ca 0.37 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 3h45 s VAL 409 Cb -0.18 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 35.86 3h45 s VAL 409 CO 0.21 -0.54 0.00 -0.90 -0.31 0.00 0.00 175.10 173.56 3h45 n ASP 410 N 1.04 0.00 0.00 4.85 5.68 -0.68 -1.18 116.55 126.26 3h45 n ASP 410 Ca -0.20 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 3h45 n ASP 410 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3h45 n ASP 410 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h45 n GLY 411 N 0.00 0.78 0.24 6.12 0.00 -1.24 -0.33 105.19 110.76 3h45 n GLY 411 Ca 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 3h45 n GLY 411 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h45 h GLY 412 N 0.00 0.16 1.70 -0.02 0.00 -1.84 -2.10 103.07 100.98 3h45 h GLY 412 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.60 3h45 h GLY 412 CO 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 176.54 176.46 3h45 h ALA 413 N 1.24 1.86 0.00 3.60 0.00 -1.78 -1.75 119.26 122.44 3h45 h ALA 413 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h45 h ALA 413 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3h45 h ALA 413 CO -0.50 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.57 3h45 n ALA 414 N -2.42 1.45 0.01 0.00 0.00 -0.79 -1.46 120.51 117.31 3h45 n ALA 414 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 3h45 n ALA 414 Cb 0.23 -1.11 0.13 0.00 0.00 0.00 0.00 19.45 18.70 3h45 n ALA 414 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h45 h LYS 415 N 0.00 0.50 -5.32 0.00 1.57 -1.46 -3.41 116.57 108.45 3h45 h LYS 415 Ca 0.00 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 3h45 h LYS 415 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3h45 h LYS 415 CO 0.00 0.81 0.32 -1.71 -0.57 0.00 0.00 179.45 178.30 3h45 n ASN 416 N -4.03 1.53 -0.20 0.86 2.85 -0.54 -4.84 115.26 110.89 3h45 n ASN 416 Ca -0.01 -1.33 -0.02 0.00 -0.11 0.00 0.00 54.58 53.11 3h45 n ASN 416 Cb 0.50 -1.55 0.05 0.00 1.24 0.00 0.00 39.78 40.02 3h45 n ASN 416 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3h45 h ASP 417 N 13.01 -0.66 -0.20 1.20 5.19 -1.88 -1.35 116.42 131.73 3h45 h ASP 417 Ca -0.01 0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.54 3h45 h ASP 417 Cb 1.03 0.41 -0.02 0.00 0.18 0.00 0.00 39.33 40.94 3h45 h ASP 417 CO 1.07 -0.22 -0.00 -0.07 -3.12 0.00 0.00 179.24 176.90 3h45 h LEU 418 N -0.03 0.45 -0.63 1.55 3.38 -1.97 -1.81 115.31 116.25 3h45 h LEU 418 Ca 0.29 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 3h45 h LEU 418 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3h45 h LEU 418 CO -0.64 0.52 -0.59 0.25 0.09 0.00 0.00 178.44 178.07 3h45 h LEU 419 N 0.46 0.36 -0.47 1.67 5.85 -1.66 -2.34 115.31 119.19 3h45 h LEU 419 Ca 0.10 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.45 3h45 h LEU 419 Cb 0.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3h45 h LEU 419 CO 0.01 0.87 -0.70 0.24 -0.34 0.00 0.00 178.44 178.52 3h45 h MET 420 N 0.24 0.34 -0.43 1.25 2.86 -1.03 -2.13 114.93 116.03 3h45 h MET 420 Ca -0.00 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 3h45 h MET 420 Cb 1.10 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 3h45 h MET 420 CO 0.10 0.91 0.02 0.37 1.06 0.00 0.00 176.91 179.36 3h45 h GLN 421 N 0.24 0.69 -0.28 1.72 5.75 -1.21 -1.62 115.11 120.41 3h45 h GLN 421 Ca -0.02 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.25 3h45 h GLN 421 Cb 1.26 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 3h45 h GLN 421 CO 0.12 0.70 -0.06 0.35 -2.65 0.00 0.00 178.83 177.29 3h45 h PHE 422 N 0.66 0.59 -0.37 3.99 3.57 -1.24 0.52 116.94 124.65 3h45 h PHE 422 Ca 0.14 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3h45 h PHE 422 Cb 0.39 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 3h45 h PHE 422 CO 0.02 0.72 0.04 0.37 -2.23 0.00 0.00 178.31 177.23 3h45 h GLN 423 N 0.28 0.15 -0.02 1.11 5.75 -1.07 0.14 115.11 121.46 3h45 h GLN 423 Ca 0.07 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3h45 h GLN 423 Cb 0.52 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 3h45 h GLN 423 CO 0.03 0.10 0.01 0.00 -2.65 0.00 0.00 178.83 176.32 3h45 h ALA 424 N 1.30 0.02 -0.45 3.38 0.00 -1.10 0.23 119.26 122.64 3h45 h ALA 424 Ca 0.18 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3h45 h ALA 424 Cb 0.23 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3h45 h ALA 424 CO -0.27 -0.43 0.13 -0.44 0.00 0.00 0.00 179.25 178.24 3h45 h ASP 425 N -0.06 0.09 -0.12 0.00 3.32 -0.32 0.39 116.42 119.72 3h45 h ASP 425 Ca 0.01 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3h45 h ASP 425 Cb 0.09 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3h45 h ASP 425 CO -0.00 0.08 -0.03 0.40 -1.72 0.00 0.00 179.24 177.97 3h45 h ILE 426 N 0.28 1.29 -0.02 0.35 1.08 -0.58 -3.17 117.51 116.74 3h45 h ILE 426 Ca 0.22 -0.97 -0.12 0.00 -0.39 0.00 0.00 64.86 63.60 3h45 h ILE 426 Cb 0.25 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.67 3h45 h ILE 426 CO -0.25 0.28 -0.54 -0.07 -0.69 0.00 0.00 178.15 176.88 3h45 h LEU 427 N -0.08 0.05 1.58 1.44 3.38 -0.83 -3.47 115.31 117.37 3h45 h LEU 427 Ca 0.03 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 3h45 h LEU 427 Cb 0.45 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3h45 h LEU 427 CO 0.01 0.58 -0.29 -0.67 0.09 0.00 0.00 178.44 178.16 3h45 n ASP 428 N -3.90 -3.83 -4.18 -0.43 2.03 0.14 -5.01 116.55 101.36 3h45 n ASP 428 Ca -0.01 0.02 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 3h45 n ASP 428 Cb 0.55 -2.99 -0.10 0.00 -0.72 0.00 0.00 41.12 37.86 3h45 n ASP 428 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3h45 s ILE 429 N -2.57 0.80 0.42 5.18 -0.00 -1.21 -4.92 121.20 118.90 3h45 s ILE 429 Ca 0.00 -1.92 -0.25 0.00 -0.00 0.00 0.00 60.65 58.48 3h45 s ILE 429 Cb 0.00 -1.66 -0.08 0.00 -0.00 0.00 0.00 42.46 40.72 3h45 s ILE 429 CO 0.00 -0.81 1.23 -1.81 -0.00 0.00 0.00 174.94 173.55 3h45 s ASP 430 N -2.99 6.29 -0.17 4.36 -0.00 -0.93 -4.50 116.67 118.74 3h45 s ASP 430 Ca 0.12 2.48 0.00 0.00 -0.00 0.00 0.00 52.55 55.15 3h45 s ASP 430 Cb 0.04 -2.62 0.04 0.00 -0.00 0.00 0.00 42.92 40.37 3h45 s ASP 430 CO -0.03 -0.85 -0.09 -0.69 -0.00 0.00 0.00 175.17 173.51 3h45 s VAL 431 N -1.37 1.38 -0.30 -1.27 1.01 -0.48 -1.53 120.40 117.84 3h45 s VAL 431 Ca 0.59 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 3h45 s VAL 431 Cb -0.34 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.63 3h45 s VAL 431 CO 0.42 0.23 0.04 -1.58 0.00 0.00 0.00 175.10 174.21 3h45 s GLN 432 N 1.53 2.67 0.11 2.72 0.74 -0.23 -0.96 119.66 126.23 3h45 s GLN 432 Ca 0.01 -1.12 -0.30 0.00 0.05 0.00 0.00 55.36 54.00 3h45 s GLN 432 Cb -0.15 -3.28 -0.06 0.00 1.10 0.00 0.00 33.01 30.62 3h45 s GLN 432 CO -0.09 -0.57 1.19 0.50 -0.55 0.00 0.00 175.29 175.77 3h45 s ARG 433 N 1.36 4.46 0.31 1.67 3.52 0.43 -1.84 118.95 128.86 3h45 s ARG 433 Ca -0.02 1.79 -0.29 0.00 -0.13 0.00 0.00 55.73 57.08 3h45 s ARG 433 Cb -0.19 -3.31 -0.13 0.00 -1.56 0.00 0.00 34.95 29.77 3h45 s ARG 433 CO 0.00 -0.18 1.35 0.00 -0.81 0.00 0.00 175.30 175.66 3h45 n ALA 434 N 3.40 1.34 0.14 6.12 0.00 -0.32 -3.00 120.51 128.19 3h45 n ALA 434 Ca 0.07 0.38 0.02 0.00 0.00 0.00 0.00 53.44 53.90 3h45 n ALA 434 Cb 0.46 -2.28 0.35 0.00 0.00 0.00 0.00 19.45 17.98 3h45 n ALA 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h45 h ALA 435 N 3.18 1.40 -2.88 0.00 0.00 -1.87 -3.33 119.26 115.76 3h45 h ALA 435 Ca -0.46 -0.28 -0.73 0.00 0.00 0.00 0.00 54.91 53.43 3h45 h ALA 435 Cb 1.28 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 18.67 3h45 h ALA 435 CO 0.67 0.43 -0.03 1.21 0.00 0.00 0.00 179.25 181.53 3h45 s ASN 436 N -6.90 6.16 0.00 0.00 3.84 -1.26 -4.98 114.94 111.80 3h45 s ASN 436 Ca -0.04 -3.31 0.00 0.00 0.21 0.00 0.00 52.86 49.71 3h45 s ASN 436 Cb 0.15 -2.00 0.00 0.00 -0.55 0.00 0.00 41.25 38.85 3h45 s ASN 436 CO 0.74 -0.31 0.00 0.00 -2.79 0.00 0.00 177.10 174.73 3h45 n LEU 437 N 2.96 0.00 -4.28 3.21 -0.00 -1.25 -2.74 117.00 114.90 3h45 n LEU 437 Ca 0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.75 3h45 n LEU 437 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 3h45 n LEU 437 CO 0.37 0.00 1.68 -1.84 -0.00 0.00 0.00 177.39 177.60 3h45 n GLU 438 N -2.39 3.40 0.00 1.47 0.00 -1.26 -3.69 120.64 118.17 3h45 n GLU 438 Ca 0.00 -3.64 0.10 0.00 0.00 0.00 0.00 57.16 53.62 3h45 n GLU 438 Cb 0.00 -3.07 0.46 0.00 0.00 0.00 0.00 31.44 28.83 3h45 n GLU 438 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3h45 n THR 439 N 4.46 0.52 0.00 3.84 -2.24 -1.11 -3.05 114.28 116.71 3h45 n THR 439 Ca 0.40 0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 62.18 3h45 n THR 439 Cb 0.41 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.77 3h45 n THR 439 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h45 h THR 440 N 0.00 1.30 -0.54 4.28 2.02 -1.85 -1.62 112.91 116.50 3h45 h THR 440 Ca 0.00 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 3h45 h THR 440 Cb 0.33 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 3h45 h THR 440 CO 0.00 0.29 0.31 0.00 0.37 0.00 0.00 175.52 176.49 3h45 h ALA 441 N 0.33 0.69 -0.21 6.16 0.00 -1.88 -2.64 119.26 121.71 3h45 h ALA 441 Ca -0.01 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3h45 h ALA 441 Cb 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3h45 h ALA 441 CO 0.01 0.19 -0.00 1.25 0.00 0.00 0.00 179.25 180.70 3h45 h LEU 442 N 0.73 -0.09 -1.60 0.00 5.85 -1.56 -1.19 115.31 117.45 3h45 h LEU 442 Ca 0.19 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.06 3h45 h LEU 442 Cb 0.02 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3h45 h LEU 442 CO -0.03 -0.02 0.42 1.23 -0.34 0.00 0.00 178.44 179.70 3h45 h GLY 443 N 0.06 0.65 1.00 3.75 0.00 -1.02 0.14 103.07 107.64 3h45 h GLY 443 Ca 0.10 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 3h45 h GLY 443 CO -0.17 0.11 -0.34 0.00 0.00 0.00 0.00 176.54 176.14 3h45 h ALA 444 N 1.68 0.42 -0.82 3.60 0.00 -1.02 -2.32 119.26 120.80 3h45 h ALA 444 Ca 0.29 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3h45 h ALA 444 Cb 0.55 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3h45 h ALA 444 CO -0.09 0.48 0.38 0.00 0.00 0.00 0.00 179.25 180.02 3h45 h ALA 445 N 0.69 1.12 -0.12 0.00 0.00 0.06 -1.79 119.26 119.21 3h45 h ALA 445 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3h45 h ALA 445 Cb 0.92 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3h45 h ALA 445 CO 0.08 0.65 0.05 1.88 0.00 0.00 0.00 179.25 181.92 3h45 h TYR 446 N 1.17 0.18 -0.92 0.00 0.05 -0.73 0.73 116.97 117.45 3h45 h TYR 446 Ca 0.28 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.12 3h45 h TYR 446 Cb 0.14 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 37.76 3h45 h TYR 446 CO 0.02 0.25 0.58 -0.07 -1.05 0.00 0.00 178.16 177.88 3h45 h LEU 447 N 0.06 0.90 -0.21 3.88 3.38 -1.22 0.13 115.31 122.24 3h45 h LEU 447 Ca 0.04 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 3h45 h LEU 447 Cb 0.14 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3h45 h LEU 447 CO -0.00 0.57 -0.78 0.00 0.09 0.00 0.00 178.44 178.31 3h45 h ALA 448 N 1.43 0.37 -0.68 1.53 0.00 -1.00 -2.99 119.26 117.93 3h45 h ALA 448 Ca 0.40 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3h45 h ALA 448 Cb 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3h45 h ALA 448 CO -0.18 0.71 0.15 0.78 0.00 0.00 0.00 179.25 180.70 3h45 h GLY 449 N 0.73 1.18 1.41 0.00 0.00 0.11 -2.70 103.07 103.80 3h45 h GLY 449 Ca -0.05 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.48 3h45 h GLY 449 CO 0.16 0.70 0.13 1.41 0.00 0.00 0.00 176.54 178.93 3h45 h LEU 450 N 1.02 0.69 -0.80 3.11 3.38 -1.02 0.93 115.31 122.62 3h45 h LEU 450 Ca 0.21 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3h45 h LEU 450 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3h45 h LEU 450 CO 0.01 0.67 -0.31 0.00 0.09 0.00 0.00 178.44 178.90 3h45 h ALA 451 N 1.42 0.94 -0.30 1.53 0.00 -1.34 -3.21 119.26 118.31 3h45 h ALA 451 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h45 h ALA 451 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h45 h ALA 451 CO -0.00 0.39 0.00 1.33 0.00 0.00 0.00 179.25 180.97 3h45 n VAL 452 N -3.38 1.94 -0.99 0.00 0.24 -1.04 -4.76 118.33 110.33 3h45 n VAL 452 Ca 0.01 -1.62 0.00 0.00 -2.04 0.00 0.00 64.34 60.69 3h45 n VAL 452 Cb 0.52 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 3h45 n VAL 452 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h45 n GLY 453 N -0.18 0.23 0.29 7.63 0.00 -0.93 -4.84 105.19 107.38 3h45 n GLY 453 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 3h45 n GLY 453 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h45 h PHE 454 N 0.00 0.40 -4.11 1.61 3.57 -1.12 -3.40 116.94 113.89 3h45 h PHE 454 Ca 0.00 0.00 -0.46 0.00 3.53 0.00 0.00 57.97 61.04 3h45 h PHE 454 Cb 0.53 -0.13 -0.29 0.00 2.79 0.00 0.00 35.95 38.85 3h45 h PHE 454 CO 0.34 0.29 -0.80 -1.58 -2.23 0.00 0.00 178.31 174.32 3h45 s TRP 455 N -5.31 1.16 0.00 0.41 0.51 -1.13 -5.00 118.94 109.59 3h45 s TRP 455 Ca -0.07 -0.24 0.00 0.00 -2.12 0.00 0.00 56.10 53.67 3h45 s TRP 455 Cb 0.17 -0.76 0.00 0.00 -0.81 0.00 0.00 33.47 32.07 3h45 s TRP 455 CO 0.72 -0.04 0.50 1.17 -0.51 0.00 0.00 176.95 178.80 3h45 n LYS 456 N 2.85 0.00 -1.48 4.98 4.81 -1.26 -4.43 118.16 123.63 3h45 n LYS 456 Ca -0.15 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3h45 n LYS 456 Cb 0.55 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.60 3h45 n LYS 456 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3h45 n ASP 457 N -0.59 0.22 0.27 3.14 3.85 -1.26 -4.97 116.55 117.21 3h45 n ASP 457 Ca 0.00 -0.74 0.16 0.00 -0.71 0.00 0.00 54.79 53.50 3h45 n ASP 457 Cb 0.00 0.00 0.67 0.00 -1.35 0.00 0.00 41.12 40.44 3h45 n ASP 457 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 3h45 h LEU 458 N 0.00 0.00 -0.18 -2.12 4.07 -1.99 -3.03 115.31 112.05 3h45 h LEU 458 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 3h45 h LEU 458 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 3h45 h LEU 458 CO 0.00 0.06 -0.17 0.44 -1.08 0.00 0.00 178.44 177.69 3h45 h ASP 459 N 0.00 0.46 0.31 -0.43 3.32 -1.99 -1.15 116.42 116.95 3h45 h ASP 459 Ca -0.00 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 3h45 h ASP 459 Cb 0.53 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3h45 h ASP 459 CO 0.01 0.84 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.24 3h45 h GLU 460 N 0.10 0.00 0.12 3.56 4.81 -1.94 0.22 114.58 121.45 3h45 h GLU 460 Ca 0.03 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.98 3h45 h GLU 460 Cb 0.70 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.11 3h45 h GLU 460 CO 0.04 0.04 -1.18 1.25 -0.73 0.00 0.00 179.01 178.43 3h45 h LEU 461 N 0.00 0.83 -0.17 1.64 5.85 -1.39 -3.32 115.31 118.75 3h45 h LEU 461 Ca -0.00 -0.83 -0.08 0.00 0.84 0.00 0.00 57.88 57.81 3h45 h LEU 461 Cb 0.21 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3h45 h LEU 461 CO 0.01 1.58 -0.19 0.11 -0.34 0.00 0.00 178.44 179.61 3h45 h LYS 462 N 0.20 0.43 -1.92 1.25 1.57 0.11 -3.21 116.57 115.00 3h45 h LYS 462 Ca -0.18 -0.23 0.56 0.00 -1.87 0.00 0.00 60.65 58.93 3h45 h LYS 462 Cb 1.87 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 34.11 3h45 h LYS 462 CO 0.23 0.81 1.37 -1.13 -0.57 0.00 0.00 179.45 180.15 3h45 n SER 463 N -4.48 0.02 -3.23 0.86 3.41 0.63 -0.72 113.62 110.11 3h45 n SER 463 Ca -0.06 1.03 -0.40 0.00 -0.26 0.00 0.00 58.87 59.19 3h45 n SER 463 Cb 0.39 -0.51 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3h45 n SER 463 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3h45 n MET 464 N -3.99 3.98 -3.23 4.33 0.00 -1.21 -4.93 117.12 112.07 3h45 n MET 464 Ca 0.44 -4.08 -0.46 0.00 0.00 0.00 0.00 57.70 53.60 3h45 n MET 464 Cb 1.98 -2.36 -0.04 0.00 0.00 0.00 0.00 33.22 32.80 3h45 n MET 464 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3h45 s ALA 465 N -4.17 3.68 -0.63 3.17 0.00 0.10 -5.01 121.76 118.90 3h45 s ALA 465 Ca 0.46 -2.68 -0.18 0.00 0.00 0.00 0.00 51.96 49.56 3h45 s ALA 465 Cb 0.32 -3.47 0.12 0.00 0.00 0.00 0.00 23.12 20.10 3h45 s ALA 465 CO -0.28 -2.26 0.72 -2.00 0.00 0.00 0.00 175.76 171.94 3h45 s GLU 466 N 1.61 3.13 0.34 0.00 2.12 -1.26 -5.04 118.70 119.61 3h45 s GLU 466 Ca 0.12 -1.52 -0.28 0.00 0.36 0.00 0.00 54.97 53.64 3h45 s GLU 466 Cb -0.21 -4.34 -0.12 0.00 0.26 0.00 0.00 34.13 29.72 3h45 s GLU 466 CO -0.00 -1.51 1.30 0.39 -0.54 0.00 0.00 175.26 174.90 3h45 n GLU 467 N 5.97 2.13 -0.26 4.30 1.02 -1.26 -4.30 120.64 128.24 3h45 n GLU 467 Ca -0.05 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 3h45 n GLU 467 Cb 0.43 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 3h45 n GLU 467 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h45 n GLY 468 N 0.86 2.89 3.65 0.62 0.00 -1.25 -4.79 105.19 107.18 3h45 n GLY 468 Ca 0.05 -2.06 -0.48 0.00 0.00 0.00 0.00 46.02 43.53 3h45 n GLY 468 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3h45 n GLN 469 N -0.18 1.91 -4.19 1.61 -0.06 -1.16 -4.73 117.38 110.58 3h45 n GLN 469 Ca 0.00 0.69 -0.32 0.00 -2.00 0.00 0.00 57.00 55.37 3h45 n GLN 469 Cb 0.00 -2.44 -0.08 0.00 -4.06 0.00 0.00 30.24 23.66 3h45 n GLN 469 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 3h45 s MET 470 N 1.18 2.87 -0.07 3.69 -1.94 -1.26 -0.43 119.30 123.34 3h45 s MET 470 Ca 0.82 -0.59 -0.00 0.00 -1.71 0.00 0.00 55.69 54.21 3h45 s MET 470 Cb -0.75 -2.73 0.02 0.00 2.01 0.00 0.00 34.83 33.39 3h45 s MET 470 CO 0.42 0.62 -0.03 -0.06 -0.01 0.00 0.00 175.02 175.96 3h45 s PHE 471 N -1.16 0.86 0.08 -0.03 0.08 -0.13 -4.99 117.98 112.68 3h45 s PHE 471 Ca 0.22 -0.29 0.09 0.00 0.12 0.00 0.00 56.93 57.07 3h45 s PHE 471 Cb -0.12 -0.83 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 3h45 s PHE 471 CO 0.13 -0.31 -0.24 0.95 -0.10 0.00 0.00 175.22 175.65 3h45 s THR 472 N 1.49 2.37 0.35 0.64 -4.23 -1.26 -1.38 115.64 113.63 3h45 s THR 472 Ca -0.02 -1.47 -0.25 0.00 -1.18 0.00 0.00 61.69 58.77 3h45 s THR 472 Cb -0.13 -1.99 -0.13 0.00 1.34 0.00 0.00 72.50 71.58 3h45 s THR 472 CO -0.03 0.25 0.73 -2.65 -0.54 0.00 0.00 174.62 172.37 3h45 n PRO 473 N 1.38 0.80 0.00 3.99 -0.02 -1.26 -4.80 135.00 135.09 3h45 n PRO 473 Ca -0.17 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3h45 n PRO 473 Cb 0.52 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3h45 n PRO 473 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3h45 n GLU 474 N 0.63 0.00 -3.61 -0.52 1.02 -1.26 -4.97 120.64 111.93 3h45 n GLU 474 Ca 0.12 -0.09 -0.36 0.00 -0.02 0.00 0.00 57.16 56.80 3h45 n GLU 474 Cb 0.35 -0.41 -0.08 0.00 -0.02 0.00 0.00 31.44 31.28 3h45 n GLU 474 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3h45 s MET 475 N 0.00 4.19 0.78 3.49 1.75 -1.26 -5.08 119.30 123.17 3h45 s MET 475 Ca 0.00 -0.08 -0.13 0.00 -1.25 0.00 0.00 55.69 54.23 3h45 s MET 475 Cb 0.00 -3.46 0.07 0.00 2.84 0.00 0.00 34.83 34.28 3h45 s MET 475 CO 0.00 0.20 1.19 -1.25 -0.65 0.00 0.00 175.02 174.51 3h45 s PRO 476 N 0.63 1.84 0.24 4.11 0.04 -1.26 -4.78 135.00 135.81 3h45 s PRO 476 Ca 0.12 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.80 3h45 s PRO 476 Cb -0.13 -1.81 0.42 0.00 0.04 0.00 0.00 34.50 33.03 3h45 s PRO 476 CO 0.02 -2.05 1.74 0.00 0.04 0.00 0.00 177.00 176.76 3h45 h ALA 477 N -0.74 1.03 0.18 8.56 0.00 -1.97 -2.16 119.26 124.14 3h45 h ALA 477 Ca -0.46 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3h45 h ALA 477 Cb 1.29 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3h45 h ALA 477 CO 0.48 -0.17 -0.31 0.93 0.00 0.00 0.00 179.25 180.18 3h45 h GLU 478 N 0.48 -0.54 -0.14 0.00 4.39 -2.00 -0.80 114.58 115.96 3h45 h GLU 478 Ca 0.39 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 3h45 h GLU 478 Cb 0.55 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 3h45 h GLU 478 CO -0.37 -0.36 0.03 1.49 -1.16 0.00 0.00 179.01 178.64 3h45 h GLU 479 N -0.57 0.23 -0.25 2.33 4.81 -1.91 -2.57 114.58 116.65 3h45 h GLU 479 Ca 0.02 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3h45 h GLU 479 Cb 0.57 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 3h45 h GLU 479 CO -0.14 0.40 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.22 3h45 h ARG 480 N 0.02 -0.22 -0.22 1.92 2.43 -1.34 -1.28 114.38 115.69 3h45 h ARG 480 Ca 0.04 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3h45 h ARG 480 Cb 0.28 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3h45 h ARG 480 CO 0.00 -0.15 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.78 3h45 h ASP 481 N -0.23 -0.33 0.21 -3.80 5.19 -1.10 -2.61 116.42 113.76 3h45 h ASP 481 Ca 0.14 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 3h45 h ASP 481 Cb 0.44 0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.14 3h45 h ASP 481 CO -0.39 -0.13 -0.10 0.78 -3.12 0.00 0.00 179.24 176.28 3h45 h ASN 482 N -0.07 -0.24 -0.23 6.45 2.35 -1.07 -0.42 115.58 122.36 3h45 h ASN 482 Ca 0.12 -0.07 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3h45 h ASN 482 Cb 0.24 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.60 3h45 h ASN 482 CO -0.26 -0.08 -0.29 -0.07 -1.65 0.00 0.00 177.43 175.08 3h45 h LEU 483 N -0.39 -0.94 -1.28 1.61 3.38 -1.22 0.18 115.31 116.66 3h45 h LEU 483 Ca -0.03 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3h45 h LEU 483 Cb 0.30 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3h45 h LEU 483 CO 0.05 -0.32 -0.05 0.22 0.09 0.00 0.00 178.44 178.43 3h45 h TYR 484 N -0.31 0.45 -0.11 1.13 3.20 -1.44 -1.99 116.97 117.90 3h45 h TYR 484 Ca 0.13 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3h45 h TYR 484 Cb 0.51 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3h45 h TYR 484 CO -0.43 0.49 -0.44 1.49 -1.64 0.00 0.00 178.16 177.63 3h45 h GLU 485 N 0.41 0.27 -0.18 1.82 4.57 -0.14 -2.51 114.58 118.82 3h45 h GLU 485 Ca 0.09 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3h45 h GLU 485 Cb 0.35 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 3h45 h GLU 485 CO 0.01 0.66 0.08 0.78 -1.18 0.00 0.00 179.01 179.36 3h45 h GLY 486 N 1.24 0.29 0.21 1.92 0.00 0.06 -2.53 103.07 104.26 3h45 h GLY 486 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.25 3h45 h GLY 486 CO 0.07 0.14 -0.25 -0.25 0.00 0.00 0.00 176.54 176.25 3h45 h TRP 487 N 0.15 -0.66 -0.65 5.60 2.91 -1.26 0.03 115.95 122.07 3h45 h TRP 487 Ca 0.06 0.04 0.10 0.00 1.13 0.00 0.00 58.89 60.22 3h45 h TRP 487 Cb 0.15 0.32 -0.08 0.00 -0.51 0.00 0.00 29.16 29.04 3h45 h TRP 487 CO -0.02 -0.33 0.26 0.87 -1.03 0.00 0.00 178.44 178.19 3h45 h LYS 488 N -0.28 0.43 0.00 2.65 1.57 -1.41 0.35 116.57 119.87 3h45 h LYS 488 Ca 0.12 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3h45 h LYS 488 Cb 0.46 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3h45 h LYS 488 CO -0.35 0.28 -0.25 1.96 -0.57 0.00 0.00 179.45 180.52 3h45 h GLN 489 N 0.44 0.00 -0.00 3.15 4.20 -0.87 0.08 115.11 122.11 3h45 h GLN 489 Ca 0.33 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 3h45 h GLN 489 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3h45 h GLN 489 CO -0.32 0.25 -0.07 0.00 -0.67 0.00 0.00 178.83 178.02 3h45 h ALA 490 N 1.75 0.01 -0.89 3.87 0.00 0.11 -2.25 119.26 121.86 3h45 h ALA 490 Ca -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.54 3h45 h ALA 490 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3h45 h ALA 490 CO 0.03 -0.06 0.59 0.28 0.00 0.00 0.00 179.25 180.09 3h45 h VAL 491 N -0.67 1.17 0.20 0.00 2.07 -0.21 0.26 116.25 119.08 3h45 h VAL 491 Ca -0.01 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3h45 h VAL 491 Cb 0.82 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3h45 h VAL 491 CO 0.01 0.21 -0.10 0.00 0.02 0.00 0.00 177.57 177.71 3h45 h ALA 492 N 1.47 -0.28 -0.92 1.67 0.00 -1.00 -0.66 119.26 119.53 3h45 h ALA 492 Ca 0.35 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.27 3h45 h ALA 492 Cb -0.03 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3h45 h ALA 492 CO -0.10 -0.66 0.58 0.00 0.00 0.00 0.00 179.25 179.08 3h45 h ALA 493 N 0.51 1.29 -0.98 0.00 0.00 -0.67 -0.56 119.26 118.85 3h45 h ALA 493 Ca -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h45 h ALA 493 Cb 0.22 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3h45 h ALA 493 CO 0.04 0.32 0.65 1.15 0.00 0.00 0.00 179.25 181.41 3h45 h THR 494 N 1.04 1.25 0.00 0.00 2.02 0.04 -1.88 112.91 115.38 3h45 h THR 494 Ca 0.41 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3h45 h THR 494 Cb 0.21 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3h45 h THR 494 CO -0.19 0.25 0.00 1.56 0.37 0.00 0.00 175.52 177.51 3h45 h GLN 495 N 1.34 0.00 0.00 6.66 4.20 0.43 -2.43 115.11 125.31 3h45 h GLN 495 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3h45 h GLN 495 Cb -0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3h45 h GLN 495 CO -0.08 0.00 0.00 1.79 -0.67 0.00 0.00 178.83 179.87 3h45 h THR 496 N 0.00 0.00 -3.55 -0.54 1.35 -0.91 -3.42 112.91 105.85 3h45 h THR 496 Ca 0.00 -0.73 -0.61 0.00 -0.55 0.00 0.00 66.41 64.52 3h45 h THR 496 Cb 0.50 1.70 -0.12 0.00 -1.73 0.00 0.00 68.15 68.51 3h45 h THR 496 CO 0.00 0.00 0.52 0.12 -0.25 0.00 0.00 175.52 175.91 3h45 s PHE 497 N -3.33 2.91 -0.28 4.73 5.36 -0.92 -4.86 117.98 121.59 3h45 s PHE 497 Ca 0.06 0.23 0.22 0.00 -0.96 0.00 0.00 56.93 56.47 3h45 s PHE 497 Cb 0.07 -3.92 0.50 0.00 -0.34 0.00 0.00 43.02 39.33 3h45 s PHE 497 CO 0.60 -1.13 1.09 1.63 -1.46 0.00 0.00 175.22 175.95 3h45 n LYS 498 N 7.13 1.60 -1.67 10.12 4.76 -1.26 -4.66 118.16 134.17 3h45 n LYS 498 Ca 0.04 -3.38 -0.43 0.00 -2.87 0.00 0.00 58.31 51.68 3h45 n LYS 498 Cb 0.48 -1.46 -0.00 0.00 -1.84 0.00 0.00 35.03 32.20 3h45 n LYS 498 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3h45 n PHE 499 N -0.53 2.01 -3.73 2.13 7.35 -1.26 -5.00 117.46 118.44 3h45 n PHE 499 Ca 0.07 0.57 -0.14 0.00 -0.76 0.00 0.00 57.45 57.19 3h45 n PHE 499 Cb 0.81 -2.37 -0.09 0.00 0.35 0.00 0.00 39.48 38.18 3h45 n PHE 499 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 3h45 s LYS 500 N -1.88 0.60 0.00 -4.13 3.01 -1.26 -5.16 119.74 110.91 3h45 s LYS 500 Ca 0.57 0.23 0.00 0.00 -1.01 0.00 0.00 55.97 55.76 3h45 s LYS 500 Cb -0.58 0.28 0.00 0.00 -1.01 0.00 0.00 37.83 36.52 3h45 s LYS 500 CO 0.61 -0.13 0.00 0.00 0.51 0.00 0.00 175.35 176.34