#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h45 s LYS 4 N 0.00 3.39 0.00 5.31 -0.14 -1.26 -4.62 119.74 122.43 3h45 s LYS 4 Ca 0.00 -0.93 0.10 0.00 -1.36 0.00 0.00 55.97 53.79 3h45 s LYS 4 Cb 0.00 -4.75 0.06 0.00 -1.68 0.00 0.00 37.83 31.46 3h45 s LYS 4 CO 0.00 -2.05 0.77 0.09 -0.76 0.00 0.00 175.35 173.40 3h45 n ASN 5 N 8.43 1.67 -4.35 2.83 3.02 -0.88 -4.68 115.26 121.30 3h45 n ASN 5 Ca 0.16 -1.33 -0.18 0.00 -0.03 0.00 0.00 54.58 53.20 3h45 n ASN 5 Cb 0.49 0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 39.71 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 -1.03 1.68 -0.04 3.10 2.02 -1.05 -3.81 117.35 118.22 3h45 s TYR 6 Ca 0.11 -0.69 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 3h45 s TYR 6 Cb 0.09 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.79 3h45 s TYR 6 CO 0.17 0.23 -0.06 0.08 -1.57 0.00 0.00 175.55 174.40 3h45 s VAL 7 N -3.11 0.59 -0.14 0.71 1.01 -0.91 0.29 120.40 118.84 3h45 s VAL 7 Ca 0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 3h45 s VAL 7 Cb 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3h45 s VAL 7 CO 0.07 0.22 0.06 -0.32 0.00 0.00 0.00 175.10 175.14 3h45 s MET 8 N 0.70 3.54 -0.07 2.72 1.75 -0.64 -1.01 119.30 126.30 3h45 s MET 8 Ca -0.10 -0.31 0.05 0.00 -1.25 0.00 0.00 55.69 54.08 3h45 s MET 8 Cb -0.13 -3.07 -0.01 0.00 2.84 0.00 0.00 34.83 34.46 3h45 s MET 8 CO 0.00 0.53 -0.23 0.00 -0.65 0.00 0.00 175.02 174.67 3h45 s ALA 9 N -0.36 2.23 -0.19 4.11 0.00 -0.17 0.64 121.76 128.03 3h45 s ALA 9 Ca 0.09 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3h45 s ALA 9 Cb -0.12 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.28 3h45 s ALA 9 CO 0.02 0.40 -0.18 0.42 0.00 0.00 0.00 175.76 176.42 3h45 s ILE 10 N -0.12 2.18 -0.37 0.00 1.01 0.29 -0.43 121.20 123.76 3h45 s ILE 10 Ca -0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3h45 s ILE 10 Cb -0.14 -1.93 0.08 0.00 0.01 0.00 0.00 42.46 40.48 3h45 s ILE 10 CO 0.04 0.52 0.13 -0.62 0.00 0.00 0.00 174.94 175.01 3h45 s ASP 11 N 1.30 5.17 -0.50 3.58 -1.08 0.14 -0.50 116.67 124.79 3h45 s ASP 11 Ca 0.05 -1.67 -0.19 0.00 -0.52 0.00 0.00 52.55 50.22 3h45 s ASP 11 Cb -0.13 -1.81 0.06 0.00 -1.46 0.00 0.00 42.92 39.58 3h45 s ASP 11 CO -0.12 -0.43 0.60 -1.58 0.52 0.00 0.00 175.17 174.16 3h45 s GLN 12 N 1.22 3.11 0.39 4.34 -0.44 -0.52 0.18 119.66 127.94 3h45 s GLN 12 Ca 0.03 -0.94 0.03 0.00 -2.50 0.00 0.00 55.36 51.98 3h45 s GLN 12 Cb -0.21 -4.10 0.07 0.00 -1.64 0.00 0.00 33.01 27.13 3h45 s GLN 12 CO -0.02 -1.20 0.53 0.41 0.50 0.00 0.00 175.29 175.51 3h45 n GLY 13 N 5.17 1.28 0.24 2.59 0.00 0.30 -0.91 105.19 113.87 3h45 n GLY 13 Ca -0.07 -2.09 0.01 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.25 1.19 0.00 2.61 2.02 -1.96 -3.34 112.91 113.18 3h45 h THR 14 Ca -0.18 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.14 3h45 h THR 14 Cb 0.73 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3h45 h THR 14 CO 0.22 0.27 -0.04 0.35 0.37 0.00 0.00 175.52 176.68 3h45 n THR 15 N -4.25 0.00 -3.76 3.16 -2.24 -1.26 -5.00 114.28 100.93 3h45 n THR 15 Ca -0.00 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 3h45 n THR 15 Cb 0.29 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.54 -0.04 0.02 3.42 1.04 -1.26 -1.73 113.70 114.62 3h45 s SER 16 Ca 0.00 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 55.99 3h45 s SER 16 Cb 0.00 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3h45 s SER 16 CO 0.00 -0.77 -0.13 -0.44 0.98 0.00 0.00 173.24 172.88 3h45 s SER 17 N -2.79 4.17 0.06 7.02 0.01 0.93 -0.54 113.70 122.56 3h45 s SER 17 Ca 0.03 -0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.04 3h45 s SER 17 Cb 0.03 -0.83 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 3h45 s SER 17 CO -0.11 0.27 -0.11 -0.60 0.41 0.00 0.00 173.24 173.10 3h45 s ARG 18 N -1.39 0.69 -0.05 12.44 3.52 0.13 -1.61 118.95 132.67 3h45 s ARG 18 Ca 0.16 -0.84 -0.02 0.00 -0.13 0.00 0.00 55.73 54.89 3h45 s ARG 18 Cb -0.11 -0.59 0.04 0.00 -1.56 0.00 0.00 34.95 32.73 3h45 s ARG 18 CO 0.06 0.13 0.10 0.00 -0.81 0.00 0.00 175.30 174.77 3h45 s ALA 19 N -1.28 0.03 -0.08 6.12 0.00 -0.93 0.29 121.76 125.91 3h45 s ALA 19 Ca -0.05 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.32 3h45 s ALA 19 Cb -0.10 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3h45 s ALA 19 CO 0.01 -0.42 -0.18 0.42 0.00 0.00 0.00 175.76 175.59 3h45 s ILE 20 N 1.95 1.56 -0.26 0.00 1.09 0.43 -2.17 121.20 123.79 3h45 s ILE 20 Ca 0.01 -0.73 -0.11 0.00 -1.10 0.00 0.00 60.65 58.72 3h45 s ILE 20 Cb -0.12 -1.37 -0.05 0.00 -1.06 0.00 0.00 42.46 39.86 3h45 s ILE 20 CO -0.04 0.45 0.19 -0.63 -0.10 0.00 0.00 174.94 174.81 3h45 s ILE 21 N 0.46 5.32 0.14 2.92 1.01 -0.73 -1.00 121.20 129.32 3h45 s ILE 21 Ca -0.15 0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.75 3h45 s ILE 21 Cb -0.16 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3h45 s ILE 21 CO 0.06 0.29 0.07 -0.36 0.00 0.00 0.00 174.94 174.99 3h45 s PHE 22 N 1.47 3.06 0.49 3.97 0.08 -0.18 -0.66 117.98 126.21 3h45 s PHE 22 Ca 0.08 -0.03 0.07 0.00 0.12 0.00 0.00 56.93 57.17 3h45 s PHE 22 Cb -0.15 -1.50 0.04 0.00 -0.57 0.00 0.00 43.02 40.84 3h45 s PHE 22 CO 0.08 0.51 0.68 0.16 -0.10 0.00 0.00 175.22 176.55 3h45 s ASP 23 N -2.81 5.39 0.00 1.36 -4.77 0.06 -2.13 116.67 113.76 3h45 s ASP 23 Ca 0.29 -0.48 0.01 0.00 -3.30 0.00 0.00 52.55 49.06 3h45 s ASP 23 Cb -0.10 -0.39 0.05 0.00 -1.09 0.00 0.00 42.92 41.38 3h45 s ASP 23 CO 0.21 -1.03 0.56 -1.14 0.70 0.00 0.00 175.17 174.47 3h45 n ARG 24 N -2.07 0.02 -0.00 2.11 0.63 -1.25 -1.52 116.66 114.58 3h45 n ARG 24 Ca 0.10 0.02 0.08 0.00 -0.92 0.00 0.00 57.85 57.13 3h45 n ARG 24 Cb 0.60 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.90 3h45 n ARG 24 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3h45 n ASN 25 N -1.02 1.04 0.00 6.15 3.02 -1.26 -4.98 115.26 118.21 3h45 n ASN 25 Ca 0.01 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3h45 n ASN 25 Cb 0.00 1.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.54 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 1.48 1.03 3.78 7.41 0.00 -0.57 -4.99 105.19 113.33 3h45 n GLY 26 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.74 4.14 0.19 1.61 2.20 -1.26 -4.84 119.74 121.05 3h45 s LYS 27 Ca 0.00 0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 55.76 3h45 s LYS 27 Cb 0.00 -3.32 -0.08 0.00 -1.51 0.00 0.00 37.83 32.92 3h45 s LYS 27 CO 0.00 0.45 1.09 0.15 -0.36 0.00 0.00 175.35 176.67 3h45 s LYS 28 N -0.32 4.62 -0.00 4.03 1.02 -1.26 -0.76 119.74 127.06 3h45 s LYS 28 Ca 0.25 1.71 0.09 0.00 0.02 0.00 0.00 55.97 58.04 3h45 s LYS 28 Cb -0.16 -3.27 -0.12 0.00 -0.52 0.00 0.00 37.83 33.76 3h45 s LYS 28 CO 0.12 0.12 0.34 -0.89 -0.92 0.00 0.00 175.35 174.12 3h45 n ILE 29 N 2.21 0.00 -3.51 2.17 2.08 0.16 -4.92 119.36 117.55 3h45 n ILE 29 Ca 0.02 -0.26 -0.10 0.00 0.56 0.00 0.00 62.75 62.96 3h45 n ILE 29 Cb 0.46 0.78 -0.03 0.00 -0.75 0.00 0.00 39.64 40.10 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 -2.25 -0.46 0.16 7.39 0.00 -1.22 -4.14 107.32 106.79 3h45 s GLY 30 Ca 0.01 1.16 -0.22 0.00 0.00 0.00 0.00 44.72 45.68 3h45 s GLY 30 CO 0.38 0.51 0.56 -0.45 0.00 0.00 0.00 173.10 174.10 3h45 s SER 31 N -2.13 -0.49 -0.28 1.64 0.15 -1.26 -1.78 113.70 109.56 3h45 s SER 31 Ca 0.02 -0.08 -0.22 0.00 0.70 0.00 0.00 55.95 56.36 3h45 s SER 31 Cb -0.01 0.58 0.09 0.00 -1.71 0.00 0.00 66.02 64.97 3h45 s SER 31 CO -0.06 -0.96 0.80 -0.55 1.20 0.00 0.00 173.24 173.67 3h45 s SER 32 N -2.77 -0.72 -0.01 5.45 0.15 -0.92 -4.24 113.70 110.64 3h45 s SER 32 Ca 0.02 1.30 0.01 0.00 0.70 0.00 0.00 55.95 57.98 3h45 s SER 32 Cb -0.01 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 3h45 s SER 32 CO -0.12 -0.22 -0.03 -1.58 1.20 0.00 0.00 173.24 172.49 3h45 s GLN 33 N 0.76 0.33 -0.09 5.44 0.74 -1.26 -2.19 119.66 123.39 3h45 s GLN 33 Ca -0.03 -0.11 -0.08 0.00 0.05 0.00 0.00 55.36 55.19 3h45 s GLN 33 Cb -0.05 -0.35 0.02 0.00 1.10 0.00 0.00 33.01 33.74 3h45 s GLN 33 CO -0.07 0.05 0.23 0.21 -0.55 0.00 0.00 175.29 175.16 3h45 s LYS 34 N 0.07 0.26 0.49 1.67 2.20 -0.63 -4.98 119.74 118.82 3h45 s LYS 34 Ca -0.00 0.33 -0.05 0.00 -0.36 0.00 0.00 55.97 55.89 3h45 s LYS 34 Cb -0.03 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.36 3h45 s LYS 34 CO -0.00 -0.04 0.79 -1.21 -0.36 0.00 0.00 175.35 174.52 3h45 s GLU 35 N 0.22 3.42 0.04 4.03 2.02 -1.26 -0.05 118.70 127.12 3h45 s GLU 35 Ca -0.01 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.10 3h45 s GLU 35 Cb -0.02 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 3h45 s GLU 35 CO -0.00 -0.27 -0.04 -0.59 0.02 0.00 0.00 175.26 174.37 3h45 s PHE 36 N -2.76 0.45 0.23 1.61 -0.12 -0.70 -4.90 117.98 111.79 3h45 s PHE 36 Ca 0.48 -0.72 -0.30 0.00 -0.05 0.00 0.00 56.93 56.34 3h45 s PHE 36 Cb -0.10 -0.31 -0.15 0.00 -0.63 0.00 0.00 43.02 41.83 3h45 s PHE 36 CO 0.44 -0.23 0.97 -2.30 -0.05 0.00 0.00 175.22 174.06 3h45 n PRO 37 N 1.00 1.01 -4.24 1.99 -0.02 -1.26 -4.82 135.00 128.65 3h45 n PRO 37 Ca -0.20 0.36 -0.27 0.00 -2.02 0.00 0.00 63.50 61.36 3h45 n PRO 37 Cb 0.57 -1.70 -0.09 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.03 2.21 -0.04 -0.52 -1.52 -1.26 -4.66 119.66 112.85 3h45 s GLN 38 Ca 0.65 -1.16 0.01 0.00 -1.95 0.00 0.00 55.36 52.91 3h45 s GLN 38 Cb -0.81 -2.27 0.02 0.00 -0.22 0.00 0.00 33.01 29.74 3h45 s GLN 38 CO 0.57 0.46 -0.03 0.71 -0.25 0.00 0.00 175.29 176.74 3h45 s TYR 39 N -1.63 0.60 -0.56 0.91 2.02 -0.63 -4.98 117.35 113.09 3h45 s TYR 39 Ca 0.25 -0.14 0.05 0.00 -0.37 0.00 0.00 57.07 56.87 3h45 s TYR 39 Cb -0.09 -0.57 0.20 0.00 -0.40 0.00 0.00 41.96 41.09 3h45 s TYR 39 CO 0.16 -0.16 0.50 1.19 -1.57 0.00 0.00 175.55 175.67 3h45 n PHE 40 N 4.03 1.47 0.41 2.71 3.72 -1.26 -0.74 117.46 127.80 3h45 n PHE 40 Ca -0.26 -3.86 0.08 0.00 -0.05 0.00 0.00 57.45 53.37 3h45 n PHE 40 Cb 0.51 -0.29 0.36 0.00 -0.94 0.00 0.00 39.48 39.11 3h45 n PHE 40 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3h45 n PRO 41 N 1.94 0.07 -3.64 -1.08 -0.04 -1.26 -4.70 135.00 126.29 3h45 n PRO 41 Ca 0.25 0.35 -0.06 0.00 -0.04 0.00 0.00 63.50 64.00 3h45 n PRO 41 Cb 0.43 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 3h45 n PRO 41 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3h45 s LYS 42 N -3.13 0.53 -0.43 0.54 2.20 -1.26 -5.06 119.74 113.13 3h45 s LYS 42 Ca 0.05 0.83 -0.41 0.00 -0.36 0.00 0.00 55.97 56.07 3h45 s LYS 42 Cb 0.08 0.16 -0.18 0.00 -1.51 0.00 0.00 37.83 36.38 3h45 s LYS 42 CO 0.28 -0.10 1.41 0.45 -0.36 0.00 0.00 175.35 177.03 3h45 n SER 43 N 3.47 1.05 0.00 1.43 2.88 -1.26 0.60 113.62 121.78 3h45 n SER 43 Ca -0.17 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 3h45 n SER 43 Cb 0.57 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 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 3.49 2.18 3.86 0.46 0.00 -1.26 -5.01 105.19 108.90 3h45 n GLY 44 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.48 3.67 -0.04 1.61 0.52 0.20 -0.80 118.94 121.62 3h45 s TRP 45 Ca 0.00 0.79 -0.01 0.00 0.02 0.00 0.00 56.10 56.90 3h45 s TRP 45 Cb 0.00 -2.14 0.03 0.00 -1.15 0.00 0.00 33.47 30.22 3h45 s TRP 45 CO 0.00 0.68 0.07 0.08 0.02 0.00 0.00 176.95 177.80 3h45 s VAL 46 N -1.08 -0.08 0.13 4.03 1.01 -1.26 -4.30 120.40 118.86 3h45 s VAL 46 Ca 0.21 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.45 3h45 s VAL 46 Cb -0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 3h45 s VAL 46 CO 0.10 0.11 -0.02 -1.61 0.00 0.00 0.00 175.10 173.68 3h45 s GLU 47 N 1.35 0.95 0.11 2.72 2.02 0.08 -2.19 118.70 123.75 3h45 s GLU 47 Ca -0.06 -1.43 0.03 0.00 0.02 0.00 0.00 54.97 53.53 3h45 s GLU 47 Cb -0.12 -0.14 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 3h45 s GLU 47 CO -0.04 -0.11 -0.09 -1.01 0.02 0.00 0.00 175.26 174.04 3h45 s HIS 48 N -3.71 1.06 -0.38 1.61 3.76 -0.68 -1.60 115.29 115.34 3h45 s HIS 48 Ca 0.18 -0.76 -0.13 0.00 -0.15 0.00 0.00 55.06 54.20 3h45 s HIS 48 Cb 0.06 -0.57 0.01 0.00 1.11 0.00 0.00 32.58 33.19 3h45 s HIS 48 CO -0.00 -0.03 0.25 1.21 -0.85 0.00 0.00 174.74 175.32 3h45 s ASN 49 N -2.82 5.97 0.37 1.40 3.84 -1.26 0.79 114.94 123.22 3h45 s ASN 49 Ca 0.10 -0.76 0.14 0.00 0.21 0.00 0.00 52.86 52.55 3h45 s ASN 49 Cb 0.01 -2.11 0.96 0.00 -0.55 0.00 0.00 41.25 39.56 3h45 s ASN 49 CO -0.01 -0.36 1.81 0.00 -2.79 0.00 0.00 177.10 175.75 3h45 h ALA 50 N 8.53 2.02 -0.43 1.71 0.00 -1.94 0.21 119.26 129.37 3h45 h ALA 50 Ca -0.28 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3h45 h ALA 50 Cb 1.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3h45 h ALA 50 CO 0.68 -0.36 -0.25 -0.91 0.00 0.00 0.00 179.25 178.41 3h45 h ASN 51 N 0.54 0.97 -0.94 0.00 2.35 -1.97 -1.16 115.58 115.36 3h45 h ASN 51 Ca 0.53 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3h45 h ASN 51 Cb 1.14 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 39.19 3h45 h ASN 51 CO -0.27 1.17 0.56 -0.33 -1.65 0.00 0.00 177.43 176.91 3h45 h GLU 52 N 0.77 1.28 -0.53 0.81 5.08 -1.08 0.13 114.58 121.03 3h45 h GLU 52 Ca 0.09 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3h45 h GLU 52 Cb 0.83 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3h45 h GLU 52 CO 0.07 0.90 0.05 0.82 -1.00 0.00 0.00 179.01 179.86 3h45 h ILE 53 N 1.30 1.26 -0.81 3.13 2.04 -0.84 -2.32 117.51 121.26 3h45 h ILE 53 Ca 0.34 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 65.24 3h45 h ILE 53 Cb -0.04 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3h45 h ILE 53 CO -0.06 0.36 0.50 -0.25 0.00 0.00 0.00 178.15 178.70 3h45 h TRP 54 N 0.79 0.93 -0.43 1.37 -0.00 -0.30 -2.11 115.95 116.20 3h45 h TRP 54 Ca 0.16 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 59.01 3h45 h TRP 54 Cb 0.45 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.16 29.29 3h45 h TRP 54 CO 0.03 0.49 0.00 -0.91 -0.00 0.00 0.00 178.44 178.06 3h45 h ASN 55 N 0.94 0.67 -0.64 2.65 2.35 -0.58 -1.20 115.58 119.76 3h45 h ASN 55 Ca 0.35 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 3h45 h ASN 55 Cb 0.13 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3h45 h ASN 55 CO -0.16 0.74 0.07 0.77 -1.65 0.00 0.00 177.43 177.20 3h45 h SER 56 N 0.66 1.04 -0.44 5.81 4.64 -0.88 0.17 113.55 124.55 3h45 h SER 56 Ca 0.13 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 3h45 h SER 56 Cb 0.41 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3h45 h SER 56 CO 0.02 1.06 0.16 0.58 -0.87 0.00 0.00 176.83 177.77 3h45 h VAL 57 N 0.99 1.21 -0.49 0.95 2.07 -1.05 0.89 116.25 120.82 3h45 h VAL 57 Ca 0.19 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3h45 h VAL 57 Cb 0.48 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3h45 h VAL 57 CO 0.02 0.25 0.32 1.56 0.02 0.00 0.00 177.57 179.73 3h45 h GLN 58 N 0.57 0.65 0.15 1.57 4.20 -0.89 -0.18 115.11 121.18 3h45 h GLN 58 Ca 0.15 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.83 3h45 h GLN 58 Cb 0.23 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3h45 h GLN 58 CO -0.01 0.44 -0.29 0.77 -0.67 0.00 0.00 178.83 179.07 3h45 h SER 59 N 0.66 -0.83 0.37 1.46 0.02 -0.08 -1.91 113.55 113.24 3h45 h SER 59 Ca 0.18 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3h45 h SER 59 Cb -0.06 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3h45 h SER 59 CO -0.04 -0.39 -0.31 -0.37 -1.14 0.00 0.00 176.83 174.59 3h45 h VAL 60 N -0.53 1.13 -0.21 2.27 -1.51 -0.66 0.59 116.25 117.33 3h45 h VAL 60 Ca 0.02 -1.09 -0.01 0.00 -1.23 0.00 0.00 66.70 64.39 3h45 h VAL 60 Cb 0.54 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 3h45 h VAL 60 CO -0.15 0.30 0.09 0.40 -1.23 0.00 0.00 177.57 176.99 3h45 h ILE 61 N 0.00 1.15 -0.21 7.19 2.04 -0.59 -1.15 117.51 125.94 3h45 h ILE 61 Ca -0.00 -0.43 -0.14 0.00 1.00 0.00 0.00 64.86 65.28 3h45 h ILE 61 Cb 0.58 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3h45 h ILE 61 CO 0.04 0.14 -0.46 0.00 0.00 0.00 0.00 178.15 177.87 3h45 h ALA 62 N 0.95 0.81 -0.95 1.87 0.00 -1.04 -2.83 119.26 118.07 3h45 h ALA 62 Ca 0.07 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.55 3h45 h ALA 62 Cb 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3h45 h ALA 62 CO -0.01 0.66 0.62 0.78 0.00 0.00 0.00 179.25 181.30 3h45 h GLY 63 N 1.08 1.40 1.24 0.00 0.00 -0.51 -0.04 103.07 106.25 3h45 h GLY 63 Ca 0.03 -0.47 -0.19 0.00 0.00 0.00 0.00 47.33 46.69 3h45 h GLY 63 CO 0.09 0.39 -0.63 0.00 0.00 0.00 0.00 176.54 176.39 3h45 h ALA 64 N 1.40 0.47 -0.21 3.60 0.00 -1.13 -1.77 119.26 121.61 3h45 h ALA 64 Ca 0.38 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3h45 h ALA 64 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h45 h ALA 64 CO -0.13 0.69 0.04 0.74 0.00 0.00 0.00 179.25 180.59 3h45 h PHE 65 N 0.57 0.37 -0.95 0.00 0.04 -1.22 -1.94 116.94 113.82 3h45 h PHE 65 Ca -0.01 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.72 3h45 h PHE 65 Cb 1.23 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 39.23 3h45 h PHE 65 CO 0.07 0.49 0.63 0.82 -0.60 0.00 0.00 178.31 179.71 3h45 h ILE 66 N 0.15 1.23 0.09 -0.55 2.04 -1.00 -1.22 117.51 118.26 3h45 h ILE 66 Ca 0.06 -0.44 -0.26 0.00 1.00 0.00 0.00 64.86 65.22 3h45 h ILE 66 Cb 0.31 -0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3h45 h ILE 66 CO 0.00 0.23 -1.16 -0.08 0.00 0.00 0.00 178.15 177.15 3h45 h GLU 67 N 1.27 0.36 0.00 2.37 4.81 -1.24 -3.31 114.58 118.85 3h45 h GLU 67 Ca 0.35 -0.52 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 3h45 h GLU 67 Cb -0.13 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3h45 h GLU 67 CO -0.08 1.21 -0.23 0.66 -0.73 0.00 0.00 179.01 179.84 3h45 h SER 68 N 0.15 0.00 0.00 1.04 4.64 -1.27 -3.47 113.55 114.64 3h45 h SER 68 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3h45 h SER 68 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 3h45 h SER 68 CO 0.20 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 3h45 n GLY 69 N 1.16 1.31 3.81 -0.77 0.00 -0.47 -4.95 105.19 105.28 3h45 n GLY 69 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.14 3.96 0.10 -0.61 -1.09 -1.18 -5.02 121.20 114.23 3h45 s ILE 70 Ca 0.00 0.67 0.07 0.00 -2.23 0.00 0.00 60.65 59.16 3h45 s ILE 70 Cb 0.00 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 3h45 s ILE 70 CO 0.00 -0.80 -0.11 -0.13 -1.23 0.00 0.00 174.94 172.67 3h45 s ARG 71 N -4.92 2.10 0.46 2.79 0.52 -1.26 -4.68 118.95 113.96 3h45 s ARG 71 Ca 0.59 -1.03 0.17 0.00 -0.52 0.00 0.00 55.73 54.94 3h45 s ARG 71 Cb -0.14 -2.29 1.13 0.00 0.52 0.00 0.00 34.95 34.16 3h45 s ARG 71 CO 0.53 0.51 1.96 -1.35 0.02 0.00 0.00 175.30 176.97 3h45 h PRO 72 N 3.64 0.30 0.00 3.54 0.11 -1.93 -0.10 132.00 137.55 3h45 h PRO 72 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h45 h PRO 72 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3h45 h PRO 72 CO 0.52 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 3h45 n GLU 73 N -4.45 0.04 -0.04 1.05 0.28 -1.26 -1.56 120.64 114.69 3h45 n GLU 73 Ca 0.11 0.32 0.12 0.00 -0.16 0.00 0.00 57.16 57.55 3h45 n GLU 73 Cb 0.49 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.99 3h45 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h45 n ALA 74 N -1.43 2.45 -2.67 -1.84 0.00 -0.05 -4.70 120.51 112.27 3h45 n ALA 74 Ca 0.02 -0.75 -0.41 0.00 0.00 0.00 0.00 53.44 52.30 3h45 n ALA 74 Cb 0.08 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.89 4.95 0.09 0.00 -1.09 -0.60 -2.07 121.20 120.59 3h45 s ILE 75 Ca 0.30 1.45 -0.10 0.00 -2.23 0.00 0.00 60.65 60.07 3h45 s ILE 75 Cb 0.21 -4.06 -0.24 0.00 -1.58 0.00 0.00 42.46 36.79 3h45 s ILE 75 CO 0.30 0.08 1.20 0.00 -1.23 0.00 0.00 174.94 175.30 3h45 h ALA 76 N 7.32 0.16 -2.50 9.38 0.00 -0.44 -3.45 119.26 129.72 3h45 h ALA 76 Ca -0.31 -0.74 0.11 0.00 0.00 0.00 0.00 54.91 53.97 3h45 h ALA 76 Cb 1.14 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 3h45 h ALA 76 CO 0.80 0.75 0.41 0.20 0.00 0.00 0.00 179.25 181.42 3h45 s GLY 77 N -4.40 -0.34 -0.05 0.00 0.00 -1.26 -4.44 107.32 96.83 3h45 s GLY 77 Ca -0.08 0.39 0.06 0.00 0.00 0.00 0.00 44.72 45.09 3h45 s GLY 77 CO 0.91 0.12 -0.25 -0.42 0.00 0.00 0.00 173.10 173.45 3h45 s ILE 78 N -3.39 2.02 -0.05 0.90 1.01 0.03 -1.62 121.20 120.11 3h45 s ILE 78 Ca 0.08 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3h45 s ILE 78 Cb -0.02 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 3h45 s ILE 78 CO -0.03 0.56 -0.14 -0.83 0.00 0.00 0.00 174.94 174.51 3h45 s GLY 79 N -0.18 1.54 -0.11 6.18 0.00 0.21 -1.71 107.32 113.24 3h45 s GLY 79 Ca -0.03 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.74 3h45 s GLY 79 CO 0.03 -0.76 -0.16 -0.42 0.00 0.00 0.00 173.10 171.80 3h45 s ILE 80 N -0.72 1.55 0.05 0.90 1.01 0.21 -0.55 121.20 123.65 3h45 s ILE 80 Ca 0.11 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.13 3h45 s ILE 80 Cb -0.11 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 3h45 s ILE 80 CO 0.01 0.45 -0.14 0.28 0.00 0.00 0.00 174.94 175.54 3h45 s THR 81 N 0.94 1.11 0.21 2.92 -1.32 0.34 -1.97 115.64 117.87 3h45 s THR 81 Ca -0.07 -1.10 -0.09 0.00 -1.21 0.00 0.00 61.69 59.22 3h45 s THR 81 Cb -0.15 -1.03 -0.01 0.00 -1.51 0.00 0.00 72.50 69.80 3h45 s THR 81 CO -0.01 -0.07 0.33 0.54 -2.21 0.00 0.00 174.62 173.19 3h45 s ASN 82 N -1.34 0.01 0.03 8.08 4.22 -1.14 -1.44 114.94 123.36 3h45 s ASN 82 Ca 0.00 -1.02 -0.30 0.00 -2.14 0.00 0.00 52.86 49.40 3h45 s ASN 82 Cb -0.09 0.48 -0.06 0.00 1.28 0.00 0.00 41.25 42.87 3h45 s ASN 82 CO 0.02 -0.98 1.34 0.00 -2.04 0.00 0.00 177.10 175.44 3h45 s GLN 83 N -4.03 4.32 0.83 3.55 -2.07 -0.09 0.01 119.66 122.17 3h45 s GLN 83 Ca 0.25 1.92 -0.12 0.00 -1.82 0.00 0.00 55.36 55.59 3h45 s GLN 83 Cb 0.03 -3.47 0.09 0.00 -1.09 0.00 0.00 33.01 28.56 3h45 s GLN 83 CO 0.07 -0.48 1.14 1.03 -1.32 0.00 0.00 175.29 175.72 3h45 s ARG 84 N 1.92 1.83 0.00 9.60 0.52 -1.26 -4.32 118.95 127.23 3h45 s ARG 84 Ca 0.62 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 56.12 3h45 s ARG 84 Cb -0.31 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.24 3h45 s ARG 84 CO 0.27 -1.72 0.00 0.39 0.02 0.00 0.00 175.30 174.26 3h45 n GLU 85 N -3.44 0.00 -1.72 3.54 4.71 -1.26 -4.39 120.64 118.09 3h45 n GLU 85 Ca 0.07 0.00 -0.67 0.00 -0.01 0.00 0.00 57.16 56.55 3h45 n GLU 85 Cb 0.59 -0.23 -0.10 0.00 -1.01 0.00 0.00 31.44 30.69 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 -3.98 2.62 -1.04 -1.26 -4.24 114.28 106.38 3h45 n THR 86 Ca 0.00 -0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3h45 n THR 86 Cb 0.00 -0.50 -0.07 0.00 -1.82 0.00 0.00 70.33 67.94 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 3.20 5.27 -0.03 12.58 2.01 -0.37 -3.43 115.64 134.88 3h45 s THR 87 Ca 1.06 0.12 0.02 0.00 0.31 0.00 0.00 61.69 63.20 3h45 s THR 87 Cb -1.50 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 67.73 3h45 s THR 87 CO 0.81 0.62 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.58 3h45 s VAL 88 N -0.99 0.74 -0.09 3.82 1.01 -0.21 -1.93 120.40 122.76 3h45 s VAL 88 Ca 0.15 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3h45 s VAL 88 Cb -0.12 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.61 3h45 s VAL 88 CO 0.04 0.24 -0.14 -0.69 0.00 0.00 0.00 175.10 174.54 3h45 s VAL 89 N 0.23 1.37 0.09 2.92 1.01 -1.26 -0.56 120.40 124.20 3h45 s VAL 89 Ca -0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3h45 s VAL 89 Cb -0.09 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3h45 s VAL 89 CO 0.00 0.41 -0.01 -1.66 0.00 0.00 0.00 175.10 173.84 3h45 s TRP 90 N 0.89 0.71 -0.15 5.22 -2.14 0.47 -1.13 118.94 122.81 3h45 s TRP 90 Ca -0.09 -1.08 -0.29 0.00 2.66 0.00 0.00 56.10 57.29 3h45 s TRP 90 Cb -0.15 -0.45 -0.02 0.00 -3.10 0.00 0.00 33.47 29.74 3h45 s TRP 90 CO 0.01 -0.37 1.39 0.34 -2.66 0.00 0.00 176.95 175.66 3h45 s ASP 91 N -2.99 6.83 0.52 -2.66 2.15 -0.80 -0.29 116.67 119.43 3h45 s ASP 91 Ca 0.13 1.80 0.17 0.00 0.43 0.00 0.00 52.55 55.08 3h45 s ASP 91 Cb 0.07 -2.54 1.29 0.00 -0.30 0.00 0.00 42.92 41.45 3h45 s ASP 91 CO -0.05 -0.85 2.15 0.50 -0.17 0.00 0.00 175.17 176.74 3h45 h LYS 92 N 8.75 0.00 0.00 4.34 3.64 -1.54 0.21 116.57 131.97 3h45 h LYS 92 Ca -0.30 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 3h45 h LYS 92 Cb 1.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3h45 h LYS 92 CO 0.97 0.01 -0.39 1.15 -2.27 0.00 0.00 179.45 178.92 3h45 h THR 93 N 0.00 0.30 0.00 1.00 2.02 -1.91 -3.39 112.91 110.93 3h45 h THR 93 Ca -0.00 -1.29 -0.13 0.00 0.77 0.00 0.00 66.41 65.76 3h45 h THR 93 Cb 0.02 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3h45 h THR 93 CO 0.00 0.10 -0.60 0.71 0.37 0.00 0.00 175.52 176.10 3h45 h THR 94 N -1.00 1.13 0.00 3.16 1.35 -1.96 -3.47 112.91 112.12 3h45 h THR 94 Ca -0.05 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 3h45 h THR 94 Cb 0.49 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3h45 h THR 94 CO -0.03 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 3h45 n GLY 95 N 0.90 0.49 3.70 5.82 0.00 0.74 -5.04 105.19 111.79 3h45 n GLY 95 Ca 0.01 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.89 4.19 0.38 1.61 -1.52 -1.24 -4.79 119.66 117.39 3h45 s GLN 96 Ca 0.00 0.01 -0.26 0.00 -1.95 0.00 0.00 55.36 53.16 3h45 s GLN 96 Cb 0.00 -3.48 -0.11 0.00 -0.22 0.00 0.00 33.01 29.20 3h45 s GLN 96 CO 0.00 0.13 1.15 -2.30 -0.25 0.00 0.00 175.29 174.02 3h45 n PRO 97 N 3.98 1.71 0.07 2.91 -0.02 -1.26 -1.91 135.00 140.47 3h45 n PRO 97 Ca -0.12 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 3h45 n PRO 97 Cb 0.52 -2.17 0.46 0.00 -0.02 0.00 0.00 33.50 32.28 3h45 n PRO 97 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3h45 n ILE 98 N -0.08 0.62 -3.83 4.25 -5.35 -0.29 -4.84 119.36 109.84 3h45 n ILE 98 Ca 0.07 0.04 0.04 0.00 -0.27 0.00 0.00 62.75 62.64 3h45 n ILE 98 Cb 0.37 -0.82 0.01 0.00 -1.74 0.00 0.00 39.64 37.45 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 -3.12 -2.65 0.78 -1.28 0.00 -1.26 -5.01 121.76 109.22 3h45 s ALA 99 Ca 0.09 0.48 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 3h45 s ALA 99 Cb 0.12 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.92 3h45 s ALA 99 CO 0.45 -1.13 0.89 0.09 0.00 0.00 0.00 175.76 176.06 3h45 n ASN 100 N -0.79 0.02 -4.81 0.00 3.02 -1.26 -4.80 115.26 106.63 3h45 n ASN 100 Ca -0.01 0.58 -0.35 0.00 -0.03 0.00 0.00 54.58 54.78 3h45 n ASN 100 Cb 0.61 -1.38 -0.07 0.00 -0.61 0.00 0.00 39.78 38.33 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 -2.01 3.20 -0.36 5.41 0.00 0.24 -4.86 121.76 123.37 3h45 s ALA 101 Ca 0.70 0.35 -0.19 0.00 0.00 0.00 0.00 51.96 52.81 3h45 s ALA 101 Cb -0.31 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3h45 s ALA 101 CO 0.54 0.21 0.58 0.42 0.00 0.00 0.00 175.76 177.51 3h45 s ILE 102 N -1.87 4.94 0.51 0.00 -1.09 -0.81 -1.69 121.20 121.19 3h45 s ILE 102 Ca 0.54 0.47 -0.20 0.00 -2.23 0.00 0.00 60.65 59.23 3h45 s ILE 102 Cb -0.13 -4.03 -0.07 0.00 -1.58 0.00 0.00 42.46 36.64 3h45 s ILE 102 CO 0.18 -0.28 1.10 -0.69 -1.23 0.00 0.00 174.94 174.03 3h45 s VAL 103 N 2.58 3.37 0.57 2.92 1.01 -0.93 -1.24 120.40 128.68 3h45 s VAL 103 Ca 0.22 0.88 0.30 0.00 0.00 0.00 0.00 61.98 63.38 3h45 s VAL 103 Cb -0.15 -3.38 0.41 0.00 0.00 0.00 0.00 36.38 33.27 3h45 s VAL 103 CO 0.14 -0.15 1.87 4.11 0.00 0.00 0.00 175.10 181.07 3h45 h TRP 104 N 1.48 0.00 -0.16 5.22 5.08 -1.84 -0.69 115.95 125.04 3h45 h TRP 104 Ca -0.50 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.38 3h45 h TRP 104 Cb 1.25 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3h45 h TRP 104 CO 0.53 0.00 -0.26 1.96 -1.28 0.00 0.00 178.44 179.40 3h45 h GLN 105 N 0.00 0.46 -6.24 0.12 4.20 -1.90 -3.42 115.11 108.32 3h45 h GLN 105 Ca 0.29 -0.28 -0.68 0.00 0.06 0.00 0.00 58.65 58.05 3h45 h GLN 105 Cb 1.42 0.03 0.07 0.00 0.30 0.00 0.00 27.48 29.30 3h45 h GLN 105 CO -0.00 0.87 0.18 0.45 -0.67 0.00 0.00 178.83 179.66 3h45 n SER 106 N -4.42 0.93 -1.02 1.46 2.88 -0.27 -4.87 113.62 108.31 3h45 n SER 106 Ca -0.06 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.70 3h45 n SER 106 Cb 0.44 -1.14 0.25 0.00 -0.75 0.00 0.00 64.21 63.01 3h45 n SER 106 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h45 n ARG 107 N 1.74 3.17 0.21 -1.46 1.74 0.02 -4.64 116.66 117.43 3h45 n ARG 107 Ca 0.16 -2.57 0.14 0.00 -0.77 0.00 0.00 57.85 54.82 3h45 n ARG 107 Cb 0.21 -1.65 0.77 0.00 -1.02 0.00 0.00 32.46 30.78 3h45 n ARG 107 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 3h45 h GLN 108 N 2.61 0.00 -0.31 5.56 3.07 -1.90 -1.94 115.11 122.21 3h45 h GLN 108 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3h45 h GLN 108 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 3h45 h GLN 108 CO 0.14 0.00 0.00 -1.13 0.09 0.00 0.00 178.83 177.93 3h45 n SER 109 N -2.49 3.38 -0.01 0.06 3.41 -1.26 -4.66 113.62 112.05 3h45 n SER 109 Ca -0.02 -2.46 0.03 0.00 -0.26 0.00 0.00 58.87 56.16 3h45 n SER 109 Cb 0.05 -0.37 0.39 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.94 0.49 -0.61 4.04 4.64 -1.70 -2.20 113.55 120.15 3h45 h SER 110 Ca 0.00 -0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.37 3h45 h SER 110 Cb 1.06 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.96 3h45 h SER 110 CO 0.10 0.40 0.27 -0.65 -0.87 0.00 0.00 176.83 176.08 3h45 h PRO 111 N 0.56 0.47 -0.87 4.77 0.11 -1.83 0.93 132.00 136.14 3h45 h PRO 111 Ca 0.15 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.25 3h45 h PRO 111 Cb 0.02 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 30.98 3h45 h PRO 111 CO -0.02 0.31 0.56 0.82 -0.21 0.00 0.00 178.00 179.46 3h45 h ILE 112 N 0.48 1.17 -0.21 4.15 2.04 -1.76 -1.88 117.51 121.50 3h45 h ILE 112 Ca 0.30 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 3h45 h ILE 112 Cb 0.32 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3h45 h ILE 112 CO -0.26 0.20 -0.32 0.00 0.00 0.00 0.00 178.15 177.77 3h45 h ALA 113 N 1.35 0.32 -0.55 1.87 0.00 -0.72 -2.71 119.26 118.81 3h45 h ALA 113 Ca 0.34 -0.41 0.12 0.00 0.00 0.00 0.00 54.91 54.96 3h45 h ALA 113 Cb -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3h45 h ALA 113 CO -0.10 0.35 0.38 -0.44 0.00 0.00 0.00 179.25 179.44 3h45 h ASP 114 N 0.26 0.18 -0.23 0.00 3.32 0.12 -0.16 116.42 119.91 3h45 h ASP 114 Ca 0.02 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 3h45 h ASP 114 Cb 0.90 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 3h45 h ASP 114 CO 0.07 0.10 -0.35 -0.61 -1.72 0.00 0.00 179.24 176.74 3h45 h GLN 115 N 0.20 0.64 -0.92 3.56 5.75 -1.18 -1.45 115.11 121.71 3h45 h GLN 115 Ca 0.26 -0.38 0.06 0.00 -0.15 0.00 0.00 58.65 58.44 3h45 h GLN 115 Cb 0.77 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.29 3h45 h GLN 115 CO -0.05 0.99 0.60 -0.07 -2.65 0.00 0.00 178.83 177.66 3h45 h LEU 116 N 0.34 0.95 -0.46 -2.39 3.38 -0.75 -1.15 115.31 115.23 3h45 h LEU 116 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3h45 h LEU 116 Cb 0.93 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3h45 h LEU 116 CO 0.08 0.62 -0.06 0.11 0.09 0.00 0.00 178.44 179.28 3h45 h LYS 117 N 1.08 0.86 -0.30 1.13 1.57 -1.11 -2.93 116.57 116.87 3h45 h LYS 117 Ca 0.39 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3h45 h LYS 117 Cb 0.14 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3h45 h LYS 117 CO -0.14 0.93 0.19 0.28 -0.57 0.00 0.00 179.45 180.15 3h45 h VAL 118 N 0.70 1.07 0.00 0.50 2.07 -0.34 -1.16 116.25 119.08 3h45 h VAL 118 Ca 0.12 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3h45 h VAL 118 Cb 0.59 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3h45 h VAL 118 CO 0.04 0.07 0.00 0.47 0.02 0.00 0.00 177.57 178.17 3h45 n ASP 119 N -4.89 0.00 -1.80 0.57 8.00 -0.52 -4.85 116.55 113.06 3h45 n ASP 119 Ca -0.01 -0.87 -0.17 0.00 0.71 0.00 0.00 54.79 54.44 3h45 n ASP 119 Cb 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.02 0.25 0.03 0.44 0.00 -0.44 -4.89 105.19 100.55 3h45 n GLY 120 Ca 0.02 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.58 0.00 -0.37 1.61 8.25 -1.11 -4.31 115.22 115.70 3h45 n HIS 121 Ca -0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.25 3h45 n HIS 121 Cb 0.63 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.67 3h45 n HIS 121 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3h45 n THR 122 N -1.03 -0.52 -0.22 1.59 -1.04 -1.26 -1.49 114.28 110.31 3h45 n THR 122 Ca 0.20 2.27 -0.09 0.00 -2.04 0.00 0.00 64.05 64.39 3h45 n THR 122 Cb 0.18 -2.99 0.03 0.00 -1.82 0.00 0.00 70.33 65.72 3h45 n THR 122 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3h45 h GLU 123 N 0.00 1.09 0.44 -2.82 4.57 -1.99 -2.60 114.58 113.27 3h45 h GLU 123 Ca 0.33 -0.33 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3h45 h GLU 123 Cb 0.57 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3h45 h GLU 123 CO -0.96 1.04 -0.24 1.98 -1.18 0.00 0.00 179.01 179.65 3h45 h MET 124 N 1.00 -0.62 -0.97 1.92 4.05 -1.56 -1.87 114.93 116.89 3h45 h MET 124 Ca 0.18 0.04 0.15 0.00 -0.28 0.00 0.00 59.70 59.80 3h45 h MET 124 Cb 0.53 0.14 -0.10 0.00 -0.80 0.00 0.00 31.60 31.37 3h45 h MET 124 CO 0.03 -0.41 0.58 0.82 0.23 0.00 0.00 176.91 178.16 3h45 h ILE 125 N -0.64 0.80 -0.39 1.77 1.08 -1.35 -1.79 117.51 116.99 3h45 h ILE 125 Ca -0.05 -0.28 -0.15 0.00 -0.39 0.00 0.00 64.86 63.98 3h45 h ILE 125 Cb 0.51 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 3h45 h ILE 125 CO 0.07 0.15 -0.35 -0.74 -0.69 0.00 0.00 178.15 176.60 3h45 h HIS 126 N 0.83 1.10 -0.52 1.37 2.76 -1.26 -1.12 115.15 118.31 3h45 h HIS 126 Ca 0.52 -0.32 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 3h45 h HIS 126 Cb 0.68 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 3h45 h HIS 126 CO -0.02 1.14 0.13 0.93 -1.30 0.00 0.00 177.93 178.81 3h45 h GLU 127 N 0.75 0.78 0.13 5.26 5.08 -0.51 0.11 114.58 126.18 3h45 h GLU 127 Ca 0.07 -0.15 -0.35 0.00 -1.00 0.00 0.00 59.36 57.92 3h45 h GLU 127 Cb 0.94 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3h45 h GLU 127 CO 0.09 0.70 -1.88 0.87 -1.00 0.00 0.00 179.01 177.79 3h45 h LYS 128 N 0.76 0.28 0.00 2.33 1.57 -1.37 -3.41 116.57 116.73 3h45 h LYS 128 Ca 0.17 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3h45 h LYS 128 Cb 0.27 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3h45 h LYS 128 CO -0.00 1.19 -1.54 0.25 -0.57 0.00 0.00 179.45 178.78 3h45 n THR 129 N -3.48 0.00 -1.00 -0.16 -2.24 -0.43 0.13 114.28 107.09 3h45 n THR 129 Ca -0.28 -0.32 -0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3h45 n THR 129 Cb 1.06 0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.53 0.39 3.54 3.38 0.00 0.39 -4.69 105.19 109.72 3h45 n GLY 130 Ca -0.02 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 3h45 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h45 n LEU 131 N -0.02 0.00 -4.35 0.99 4.77 -1.26 -0.94 117.00 116.19 3h45 n LEU 131 Ca -0.00 -2.60 -0.32 0.00 -0.03 0.00 0.00 56.01 53.06 3h45 n LEU 131 Cb 0.13 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 40.97 3h45 n LEU 131 CO 0.00 -0.58 -0.52 0.54 -1.33 0.00 0.00 177.39 175.50 3h45 s VAL 132 N -2.50 2.48 -0.14 4.08 0.11 -1.26 -3.93 120.40 119.25 3h45 s VAL 132 Ca 0.33 -0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 58.18 3h45 s VAL 132 Cb -0.03 -1.94 -0.06 0.00 -1.53 0.00 0.00 36.38 32.82 3h45 s VAL 132 CO 0.21 0.57 2.11 -0.63 -3.33 0.00 0.00 175.10 174.03 3h45 s ILE 133 N -0.32 3.04 -0.15 7.04 1.01 -1.26 -4.92 121.20 125.65 3h45 s ILE 133 Ca 0.02 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 3h45 s ILE 133 Cb -0.13 -3.05 0.08 0.00 0.01 0.00 0.00 42.46 39.38 3h45 s ILE 133 CO 0.02 -0.02 0.77 -0.62 0.00 0.00 0.00 174.94 175.09 3h45 s ASP 134 N 6.83 -0.63 0.48 3.58 2.15 -1.26 -4.97 116.67 122.86 3h45 s ASP 134 Ca 0.95 0.91 0.23 0.00 0.43 0.00 0.00 52.55 55.07 3h45 s ASP 134 Cb -0.36 0.82 1.23 0.00 -0.30 0.00 0.00 42.92 44.31 3h45 s ASP 134 CO 0.37 -0.42 1.65 0.00 -0.17 0.00 0.00 175.17 176.60 3h45 h ALA 135 N 3.65 1.22 -0.85 3.66 0.00 -1.89 -1.94 119.26 123.12 3h45 h ALA 135 Ca -0.27 0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.81 3h45 h ALA 135 Cb 1.15 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 3h45 h ALA 135 CO 0.25 -0.22 0.42 -0.92 0.00 0.00 0.00 179.25 178.77 3h45 h TYR 136 N 0.00 0.72 -3.76 0.00 3.20 -1.82 -3.44 116.97 111.87 3h45 h TYR 136 Ca 0.00 0.04 -0.48 0.00 3.14 0.00 0.00 58.73 61.43 3h45 h TYR 136 Cb 0.53 -0.19 0.06 0.00 1.54 0.00 0.00 36.73 38.67 3h45 h TYR 136 CO 0.00 0.13 0.21 -0.06 -1.64 0.00 0.00 178.16 176.79 3h45 s PHE 137 N -5.96 3.26 0.15 -3.82 0.08 -0.73 -4.73 117.98 106.23 3h45 s PHE 137 Ca -0.12 0.70 -0.16 0.00 0.12 0.00 0.00 56.93 57.46 3h45 s PHE 137 Cb 0.22 -2.78 0.04 0.00 -0.57 0.00 0.00 43.02 39.93 3h45 s PHE 137 CO 0.78 -0.87 1.77 0.77 -0.10 0.00 0.00 175.22 177.57 3h45 h SER 138 N -0.24 0.23 -0.90 1.36 0.02 -1.61 -3.34 113.55 109.07 3h45 h SER 138 Ca -0.45 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 60.60 3h45 h SER 138 Cb 1.26 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 63.67 3h45 h SER 138 CO 0.61 0.17 -0.53 0.00 -1.14 0.00 0.00 176.83 175.94 3h45 n ALA 139 N -2.28 -0.58 0.34 3.77 0.00 0.83 0.31 120.51 122.90 3h45 n ALA 139 Ca 0.01 0.77 0.12 0.00 0.00 0.00 0.00 53.44 54.33 3h45 n ALA 139 Cb 0.09 -0.13 0.53 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.17 0.00 1.35 -1.86 -2.21 112.91 110.36 3h45 h THR 140 Ca 0.14 -0.19 -0.32 0.00 -0.55 0.00 0.00 66.41 65.50 3h45 h THR 140 Cb 0.37 0.89 0.01 0.00 -1.73 0.00 0.00 68.15 67.69 3h45 h THR 140 CO -0.85 0.00 -1.49 0.11 -0.25 0.00 0.00 175.52 173.05 3h45 h LYS 141 N 0.00 0.36 0.17 4.72 1.57 -0.28 -2.29 116.57 120.82 3h45 h LYS 141 Ca 0.00 -0.62 -0.01 0.00 -1.87 0.00 0.00 60.65 58.15 3h45 h LYS 141 Cb 0.29 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3h45 h LYS 141 CO 0.00 1.27 -0.08 0.28 -0.57 0.00 0.00 179.45 180.34 3h45 h VAL 142 N 0.10 0.94 -0.50 0.50 2.07 -0.76 -2.33 116.25 116.26 3h45 h VAL 142 Ca -0.24 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 66.84 3h45 h VAL 142 Cb 2.06 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 33.00 3h45 h VAL 142 CO 0.21 0.12 -0.27 -0.09 0.02 0.00 0.00 177.57 177.56 3h45 h ARG 143 N -0.49 -0.15 -0.28 1.57 9.65 -1.50 -0.54 114.38 122.65 3h45 h ARG 143 Ca -0.02 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.93 3h45 h ARG 143 Cb 0.38 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.92 3h45 h ARG 143 CO 0.04 -0.10 -0.24 2.35 2.80 0.00 0.00 179.97 184.82 3h45 h TRP 144 N -0.15 -0.64 -0.50 2.20 7.01 -1.31 -0.82 115.95 121.75 3h45 h TRP 144 Ca 0.22 0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.31 3h45 h TRP 144 Cb 0.51 0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 27.86 3h45 h TRP 144 CO -0.54 -0.32 0.33 -0.07 -2.79 0.00 0.00 178.44 175.05 3h45 h LEU 145 N -0.23 0.44 -0.25 0.65 3.38 -0.66 -0.77 115.31 117.87 3h45 h LEU 145 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3h45 h LEU 145 Cb 0.46 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3h45 h LEU 145 CO -0.41 0.30 -0.04 0.18 0.09 0.00 0.00 178.44 178.56 3h45 n LEU 146 N -4.47 0.43 -0.06 1.67 4.77 -0.33 -2.50 117.00 116.51 3h45 n LEU 146 Ca 0.06 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3h45 n LEU 146 Cb 0.19 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 3h45 n LEU 146 CO 0.35 0.08 -0.87 0.47 -1.33 0.00 0.00 177.39 176.08 3h45 n ASP 147 N -0.81 2.16 -0.19 -1.43 8.00 -0.43 -4.03 116.55 119.82 3h45 n ASP 147 Ca 0.19 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.74 3h45 n ASP 147 Cb 0.23 0.80 -0.01 0.00 -0.02 0.00 0.00 41.12 42.12 3h45 n ASP 147 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3h45 n ASN 148 N -2.41 1.09 -4.51 -2.24 3.02 -0.43 -4.95 115.26 104.82 3h45 n ASN 148 Ca -0.18 -1.05 -0.37 0.00 -0.03 0.00 0.00 54.58 52.95 3h45 n ASN 148 Cb 0.86 0.58 -0.12 0.00 -0.61 0.00 0.00 39.78 40.49 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 -1.51 4.66 -0.40 2.41 1.01 -1.04 -5.00 121.20 121.32 3h45 s ILE 149 Ca 0.08 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.45 3h45 s ILE 149 Cb 0.08 -3.18 -0.12 0.00 0.01 0.00 0.00 42.46 39.26 3h45 s ILE 149 CO 0.29 0.33 1.35 1.21 0.00 0.00 0.00 174.94 178.13 3h45 n GLU 150 N 4.76 0.00 -3.17 2.79 4.07 -1.26 -1.28 120.64 126.55 3h45 n GLU 150 Ca -0.16 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.73 3h45 n GLU 150 Cb 0.52 -0.86 0.01 0.00 -0.06 0.00 0.00 31.44 31.05 3h45 n GLU 150 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3h45 n GLY 151 N 4.04 -0.50 0.16 8.31 0.00 -1.26 -4.89 105.19 111.04 3h45 n GLY 151 Ca 0.34 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.27 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 0.98 0.11 -0.83 4.61 0.00 -1.48 -3.08 119.26 119.57 3h45 h ALA 152 Ca -0.44 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.00 3h45 h ALA 152 Cb 1.30 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 3h45 h ALA 152 CO 0.52 0.41 0.54 0.37 0.00 0.00 0.00 179.25 181.09 3h45 h GLN 153 N 0.02 0.74 -0.21 0.00 5.75 -1.81 -1.29 115.11 118.31 3h45 h GLN 153 Ca -0.07 -0.04 -0.18 0.00 -0.15 0.00 0.00 58.65 58.20 3h45 h GLN 153 Cb 1.34 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.72 3h45 h GLN 153 CO 0.13 0.49 -0.60 1.49 -2.65 0.00 0.00 178.83 177.68 3h45 h GLU 154 N 0.76 0.71 0.00 1.69 4.81 -1.93 -0.82 114.58 119.80 3h45 h GLU 154 Ca 0.39 -0.48 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3h45 h GLU 154 Cb 0.48 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3h45 h GLU 154 CO -0.16 1.10 -0.18 0.87 -0.73 0.00 0.00 179.01 179.92 3h45 h LYS 155 N 0.53 0.00 0.05 1.92 1.57 -1.28 -2.95 116.57 116.40 3h45 h LYS 155 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3h45 h LYS 155 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 3h45 h LYS 155 CO 0.12 0.18 -0.57 0.00 -0.57 0.00 0.00 179.45 178.61 3h45 h ALA 156 N 1.82 0.04 0.00 3.86 0.00 -1.08 0.31 119.26 124.22 3h45 h ALA 156 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3h45 h ALA 156 Cb 0.67 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3h45 h ALA 156 CO 0.02 0.31 0.00 -0.44 0.00 0.00 0.00 179.25 179.14 3h45 h ASP 157 N -0.77 0.00 -0.61 0.00 3.32 -1.17 0.79 116.42 117.99 3h45 h ASP 157 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3h45 h ASP 157 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3h45 h ASP 157 CO 0.01 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.33 3h45 n ASN 158 N -2.38 3.46 -3.66 6.45 4.05 -1.12 -4.94 115.26 117.12 3h45 n ASN 158 Ca -0.01 -1.99 -0.24 0.00 0.45 0.00 0.00 54.58 52.79 3h45 n ASN 158 Cb 0.08 -0.41 0.06 0.00 1.23 0.00 0.00 39.78 40.75 3h45 n ASN 158 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3h45 n GLY 159 N 1.53 -0.48 0.06 8.20 0.00 0.28 -4.91 105.19 109.87 3h45 n GLY 159 Ca 0.22 0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.50 3h45 n GLY 159 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h45 n GLU 160 N -4.73 2.92 -4.39 1.61 4.07 0.11 -5.00 120.64 115.23 3h45 n GLU 160 Ca -0.06 -0.15 -0.30 0.00 -0.06 0.00 0.00 57.16 56.59 3h45 n GLU 160 Cb 0.58 -1.07 -0.11 0.00 -0.06 0.00 0.00 31.44 30.78 3h45 n GLU 160 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3h45 s LEU 161 N -2.38 2.86 -0.00 4.31 1.43 -1.21 -1.30 118.68 122.39 3h45 s LEU 161 Ca 0.06 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 3h45 s LEU 161 Cb 0.09 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 3h45 s LEU 161 CO 0.44 0.21 -0.24 -0.76 0.23 0.00 0.00 176.35 176.23 3h45 s LEU 162 N -1.89 2.21 0.16 1.79 1.43 0.61 -4.03 118.68 118.95 3h45 s LEU 162 Ca 0.18 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 3h45 s LEU 162 Cb -0.11 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 3h45 s LEU 162 CO 0.10 0.30 0.19 0.12 0.23 0.00 0.00 176.35 177.29 3h45 s PHE 163 N -0.70 3.27 -0.28 0.29 5.36 -0.37 -0.39 117.98 125.15 3h45 s PHE 163 Ca 0.11 0.03 -0.25 0.00 -0.96 0.00 0.00 56.93 55.86 3h45 s PHE 163 Cb -0.10 -1.57 0.16 0.00 -0.34 0.00 0.00 43.02 41.17 3h45 s PHE 163 CO 0.00 0.52 1.22 0.20 -1.46 0.00 0.00 175.22 175.71 3h45 s GLY 164 N -3.14 0.07 0.55 13.12 0.00 0.28 -4.55 107.32 113.67 3h45 s GLY 164 Ca 0.32 3.02 -0.06 0.00 0.00 0.00 0.00 44.72 48.00 3h45 s GLY 164 CO 0.25 1.80 0.87 -0.51 0.00 0.00 0.00 173.10 175.51 3h45 s THR 165 N 0.01 4.11 0.38 0.90 -4.23 -1.26 -1.04 115.64 114.50 3h45 s THR 165 Ca 0.05 0.10 0.20 0.00 -1.18 0.00 0.00 61.69 60.86 3h45 s THR 165 Cb -0.05 -3.61 0.38 0.00 1.34 0.00 0.00 72.50 70.57 3h45 s THR 165 CO -0.10 -0.62 1.64 0.40 -0.54 0.00 0.00 174.62 175.40 3h45 h ILE 166 N -0.04 0.19 0.01 2.99 1.08 -1.79 0.25 117.51 120.20 3h45 h ILE 166 Ca -0.46 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 63.96 3h45 h ILE 166 Cb 1.24 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 3h45 h ILE 166 CO 0.61 0.03 -0.06 -2.24 -0.69 0.00 0.00 178.15 175.80 3h45 h ASP 167 N 0.19 -0.18 -0.50 1.72 2.03 -1.92 -0.80 116.42 116.96 3h45 h ASP 167 Ca 0.78 0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 57.09 3h45 h ASP 167 Cb 2.05 0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 40.60 3h45 h ASP 167 CO -0.58 -0.10 0.28 -1.28 -1.03 0.00 0.00 179.24 176.53 3h45 h SER 168 N -0.12 0.64 -0.46 4.15 0.87 -1.14 -2.26 113.55 115.23 3h45 h SER 168 Ca 0.02 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.41 3h45 h SER 168 Cb 0.14 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3h45 h SER 168 CO -0.06 0.53 -0.20 -0.25 -0.53 0.00 0.00 176.83 176.31 3h45 h TRP 169 N 0.73 1.10 -0.20 2.24 2.91 -0.76 -2.71 115.95 119.26 3h45 h TRP 169 Ca 0.19 -0.27 -0.17 0.00 1.13 0.00 0.00 58.89 59.77 3h45 h TRP 169 Cb 0.04 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.43 3h45 h TRP 169 CO 0.00 1.08 -0.55 -0.07 -1.03 0.00 0.00 178.44 177.87 3h45 h LEU 170 N 0.80 0.83 -1.25 0.65 3.38 -0.76 -2.70 115.31 116.27 3h45 h LEU 170 Ca 0.11 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 3h45 h LEU 170 Cb 0.78 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3h45 h LEU 170 CO 0.06 1.26 0.07 0.58 0.09 0.00 0.00 178.44 180.51 3h45 h VAL 171 N 0.45 1.19 -0.17 1.22 2.07 -1.46 0.70 116.25 120.25 3h45 h VAL 171 Ca -0.01 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3h45 h VAL 171 Cb 1.17 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3h45 h VAL 171 CO 0.12 0.25 0.06 -0.25 0.02 0.00 0.00 177.57 177.77 3h45 h TRP 172 N 0.57 0.26 -0.55 1.57 7.01 -1.40 -1.94 115.95 121.47 3h45 h TRP 172 Ca 0.13 -0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.05 3h45 h TRP 172 Cb 0.25 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 3h45 h TRP 172 CO 0.01 0.34 0.10 0.87 -2.79 0.00 0.00 178.44 176.97 3h45 h LYS 173 N 0.11 0.89 -0.06 2.65 1.79 -1.10 0.53 116.57 121.39 3h45 h LYS 173 Ca 0.06 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.26 3h45 h LYS 173 Cb 0.19 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3h45 h LYS 173 CO -0.00 0.86 -0.10 -0.07 -1.08 0.00 0.00 179.45 179.05 3h45 h LEU 174 N 0.79 0.08 -2.83 2.94 3.38 -0.76 -1.99 115.31 116.92 3h45 h LEU 174 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3h45 h LEU 174 Cb 0.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3h45 h LEU 174 CO 0.01 0.19 0.00 0.35 0.09 0.00 0.00 178.44 179.08 3h45 n THR 175 N -4.37 1.03 -3.48 0.22 -2.24 -0.74 -0.40 114.28 104.30 3h45 n THR 175 Ca -0.02 -1.01 -0.23 0.00 -2.27 0.00 0.00 64.05 60.52 3h45 n THR 175 Cb 0.20 0.48 0.04 0.00 -2.10 0.00 0.00 70.33 68.96 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 1.10 -6.01 0.00 3.42 2.03 -0.32 -2.38 116.55 114.40 3h45 n ASP 176 Ca 0.19 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.68 3h45 n ASP 176 Cb 0.54 -4.06 0.00 0.00 -0.72 0.00 0.00 41.12 36.88 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 -1.55 0.35 0.25 0.27 0.00 0.17 -4.86 105.19 99.82 3h45 n GLY 177 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 3h45 n GLY 177 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3h45 h GLN 178 N 1.02 0.84 -5.57 1.61 4.15 -1.67 -3.44 115.11 112.05 3h45 h GLN 178 Ca 0.00 -0.50 -0.68 0.00 0.77 0.00 0.00 58.65 58.25 3h45 h GLN 178 Cb 0.06 0.04 -0.30 0.00 0.21 0.00 0.00 27.48 27.49 3h45 h GLN 178 CO 0.00 1.14 -0.83 0.08 -1.93 0.00 0.00 178.83 177.28 3h45 s VAL 179 N -4.20 2.49 -0.55 2.39 1.01 -1.26 -5.06 120.40 115.21 3h45 s VAL 179 Ca -0.10 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.04 3h45 s VAL 179 Cb 0.11 -1.98 0.15 0.00 0.00 0.00 0.00 36.38 34.66 3h45 s VAL 179 CO 0.88 0.55 0.36 -2.28 0.00 0.00 0.00 175.10 174.61 3h45 s HIS 180 N 0.13 2.67 0.37 5.22 2.46 -1.26 -3.81 115.29 121.07 3h45 s HIS 180 Ca -0.10 -2.90 0.04 0.00 0.47 0.00 0.00 55.06 52.57 3h45 s HIS 180 Cb -0.16 -2.21 -0.05 0.00 -0.13 0.00 0.00 32.58 30.03 3h45 s HIS 180 CO 0.06 -0.69 0.06 0.54 -2.47 0.00 0.00 174.74 172.24 3h45 s VAL 181 N -0.53 1.19 -0.02 0.89 0.11 -1.26 -1.68 120.40 119.10 3h45 s VAL 181 Ca 0.23 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 56.98 3h45 s VAL 181 Cb -0.12 -2.67 0.07 0.00 -1.53 0.00 0.00 36.38 32.13 3h45 s VAL 181 CO -0.10 0.00 0.68 0.28 -3.33 0.00 0.00 175.10 172.63 3h45 s THR 182 N -3.15 0.00 0.42 5.04 -1.32 -0.28 -4.16 115.64 112.19 3h45 s THR 182 Ca 0.31 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 3h45 s THR 182 Cb 0.07 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.05 3h45 s THR 182 CO 0.14 0.00 0.63 1.51 -2.21 0.00 0.00 174.62 174.69 3h45 s ASP 183 N -1.42 5.99 0.21 8.08 -4.77 -1.26 -0.06 116.67 123.44 3h45 s ASP 183 Ca -0.09 0.33 -0.15 0.00 -3.30 0.00 0.00 52.55 49.34 3h45 s ASP 183 Cb -0.00 -1.69 0.22 0.00 -1.09 0.00 0.00 42.92 40.36 3h45 s ASP 183 CO 0.06 -0.57 1.61 1.88 0.70 0.00 0.00 175.17 178.86 3h45 h TYR 184 N 0.52 -0.51 -0.32 2.11 0.05 -1.29 -1.01 116.97 116.52 3h45 h TYR 184 Ca -0.47 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.37 3h45 h TYR 184 Cb 1.24 0.33 -0.02 0.00 1.01 0.00 0.00 36.73 39.29 3h45 h TYR 184 CO 0.47 -0.32 0.21 0.66 -1.05 0.00 0.00 178.16 178.14 3h45 h SER 185 N -0.05 0.36 -0.24 3.88 4.64 -1.83 -0.73 113.55 119.59 3h45 h SER 185 Ca 0.30 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.48 3h45 h SER 185 Cb 0.51 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3h45 h SER 185 CO -0.69 0.26 -0.29 0.78 -0.87 0.00 0.00 176.83 176.02 3h45 h ASN 186 N 0.43 0.77 -0.85 4.97 2.35 -1.82 -3.04 115.58 118.38 3h45 h ASN 186 Ca 0.12 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 3h45 h ASN 186 Cb -0.05 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 3h45 h ASN 186 CO -0.03 1.01 0.41 0.00 -1.65 0.00 0.00 177.43 177.18 3h45 h ALA 187 N 1.04 1.12 0.00 -0.83 0.00 -0.93 -2.30 119.26 117.37 3h45 h ALA 187 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h45 h ALA 187 Cb 0.81 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3h45 h ALA 187 CO 0.07 0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.85 3h45 n SER 188 N -4.31 0.45 -0.57 0.00 3.41 -0.30 -2.22 113.62 110.09 3h45 n SER 188 Ca 0.09 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 3h45 n SER 188 Cb 0.14 -0.73 0.30 0.00 -0.26 0.00 0.00 64.21 63.65 3h45 n SER 188 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h45 n ARG 189 N -2.04 1.61 0.07 4.33 5.12 -0.86 -4.24 116.66 120.63 3h45 n ARG 189 Ca 0.01 -1.14 -0.03 0.00 -1.93 0.00 0.00 57.85 54.76 3h45 n ARG 189 Cb 0.12 -1.48 -0.08 0.00 -1.16 0.00 0.00 32.46 29.87 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 2.77 1.14 -0.08 0.55 1.35 -1.53 -3.29 112.91 113.83 3h45 h THR 190 Ca 0.00 -2.74 -0.03 0.00 -0.55 0.00 0.00 66.41 63.09 3h45 h THR 190 Cb 0.68 2.53 -0.01 0.00 -1.73 0.00 0.00 68.15 69.61 3h45 h THR 190 CO 0.00 0.65 -0.03 0.80 -0.25 0.00 0.00 175.52 176.69 3h45 n MET 191 N -3.19 -0.20 0.00 4.72 1.56 -1.26 -0.12 117.12 118.63 3h45 n MET 191 Ca -0.04 0.40 0.00 0.00 -0.27 0.00 0.00 57.70 57.80 3h45 n MET 191 Cb 0.88 -3.86 0.00 0.00 2.15 0.00 0.00 33.22 32.39 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 -0.19 1.25 -4.19 -0.89 4.77 -1.26 -4.83 117.00 111.67 3h45 n LEU 192 Ca -0.02 -1.25 -0.33 0.00 -0.03 0.00 0.00 56.01 54.38 3h45 n LEU 192 Cb 0.07 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.00 3h45 n LEU 192 CO 0.02 0.31 -0.53 -0.47 -1.33 0.00 0.00 177.39 175.40 3h45 s TYR 193 N -0.33 2.69 -0.38 -1.77 5.04 -1.26 -1.98 117.35 119.36 3h45 s TYR 193 Ca 0.00 -1.28 -0.29 0.00 -2.44 0.00 0.00 57.07 53.06 3h45 s TYR 193 Cb 0.00 -1.82 0.02 0.00 0.35 0.00 0.00 41.96 40.50 3h45 s TYR 193 CO 0.00 -0.58 1.18 1.21 -1.34 0.00 0.00 175.55 176.02 3h45 s ASN 194 N 0.79 6.72 0.00 4.32 3.84 0.20 -4.16 114.94 126.66 3h45 s ASN 194 Ca -0.07 0.87 0.28 0.00 0.21 0.00 0.00 52.86 54.15 3h45 s ASN 194 Cb -0.16 -2.54 1.30 0.00 -0.55 0.00 0.00 41.25 39.30 3h45 s ASN 194 CO -0.01 -1.10 1.93 2.30 -2.79 0.00 0.00 177.10 177.42 3h45 n ILE 195 N 6.39 0.10 -0.08 -5.21 -5.35 0.12 -1.70 119.36 113.62 3h45 n ILE 195 Ca 0.13 0.02 -0.22 0.00 -0.27 0.00 0.00 62.75 62.41 3h45 n ILE 195 Cb 0.48 -0.55 -0.12 0.00 -1.74 0.00 0.00 39.64 37.70 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 -1.39 0.60 0.86 4.28 8.25 -1.26 -4.17 115.22 122.38 3h45 n HIS 196 Ca 0.10 0.17 0.13 0.00 -0.26 0.00 0.00 57.72 57.86 3h45 n HIS 196 Cb 0.27 -1.07 0.45 0.00 1.12 0.00 0.00 29.99 30.76 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 -3.74 0.10 -3.38 -0.41 4.76 -1.25 -4.96 118.16 109.28 3h45 n LYS 197 Ca -0.41 0.06 -0.19 0.00 -2.87 0.00 0.00 58.31 54.91 3h45 n LYS 197 Cb 0.93 -1.60 0.06 0.00 -1.84 0.00 0.00 35.03 32.59 3h45 n LYS 197 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3h45 n LEU 198 N -1.76 -4.82 -3.50 -0.35 4.32 -0.69 -5.02 117.00 105.20 3h45 n LEU 198 Ca 0.06 -0.77 -0.09 0.00 -0.02 0.00 0.00 56.01 55.19 3h45 n LEU 198 Cb 0.37 -3.01 -0.02 0.00 -1.62 0.00 0.00 43.42 39.14 3h45 n LEU 198 CO 0.30 0.22 0.64 -1.83 -1.22 0.00 0.00 177.39 175.50 3h45 s GLU 199 N -4.88 0.92 0.05 3.23 -1.05 -1.00 -5.02 118.70 110.95 3h45 s GLU 199 Ca 0.40 -0.34 -0.31 0.00 -0.15 0.00 0.00 54.97 54.57 3h45 s GLU 199 Cb -0.07 0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 33.95 3h45 s GLU 199 CO 0.77 -0.40 1.65 -1.58 0.95 0.00 0.00 175.26 176.64 3h45 s TRP 200 N -3.24 2.38 -0.42 4.83 0.23 -1.26 -0.62 118.94 120.83 3h45 s TRP 200 Ca 0.04 0.32 -0.28 0.00 -2.03 0.00 0.00 56.10 54.15 3h45 s TRP 200 Cb -0.01 -3.95 0.02 0.00 0.03 0.00 0.00 33.47 29.57 3h45 s TRP 200 CO -0.09 -3.82 1.05 0.34 0.96 0.00 0.00 176.95 175.38 3h45 s ASP 201 N 2.51 6.68 0.20 2.95 2.15 -0.84 -4.81 116.67 125.52 3h45 s ASP 201 Ca 0.74 0.55 -0.11 0.00 0.43 0.00 0.00 52.55 54.16 3h45 s ASP 201 Cb -0.39 -2.52 0.18 0.00 -0.30 0.00 0.00 42.92 39.90 3h45 s ASP 201 CO 0.32 -1.07 1.81 -0.61 -0.17 0.00 0.00 175.17 175.45 3h45 h GLN 202 N 8.83 0.65 -0.38 4.34 5.75 -1.91 -2.68 115.11 129.72 3h45 h GLN 202 Ca -0.23 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.31 3h45 h GLN 202 Cb 1.07 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 29.39 3h45 h GLN 202 CO 1.07 0.43 -0.11 0.93 -2.65 0.00 0.00 178.83 178.50 3h45 h GLU 203 N 0.67 -0.01 -0.69 1.69 5.08 -1.98 0.24 114.58 119.58 3h45 h GLU 203 Ca 0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 3h45 h GLU 203 Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3h45 h GLU 203 CO -0.14 -0.01 0.25 0.82 -1.00 0.00 0.00 179.01 178.93 3h45 h ILE 204 N -0.01 1.24 -0.34 3.13 2.04 -1.91 0.23 117.51 121.87 3h45 h ILE 204 Ca 0.18 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3h45 h ILE 204 Cb 0.29 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3h45 h ILE 204 CO -0.40 0.31 0.22 -0.07 0.00 0.00 0.00 178.15 178.22 3h45 h LEU 205 N 1.00 0.38 -0.32 1.44 3.38 -0.72 -2.05 115.31 118.42 3h45 h LEU 205 Ca 0.23 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3h45 h LEU 205 Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3h45 h LEU 205 CO -0.02 0.28 0.04 0.44 0.09 0.00 0.00 178.44 179.27 3h45 h ASP 206 N 0.46 0.53 -0.95 -0.43 3.32 -0.12 -1.79 116.42 117.44 3h45 h ASP 206 Ca 0.13 -0.28 0.23 0.00 0.02 0.00 0.00 57.03 57.14 3h45 h ASP 206 Cb -0.04 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.30 3h45 h ASP 206 CO -0.03 0.67 0.63 0.25 -1.72 0.00 0.00 179.24 179.04 3h45 h LEU 207 N 0.37 0.35 -3.23 1.55 5.85 -0.19 -1.92 115.31 118.08 3h45 h LEU 207 Ca 0.10 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3h45 h LEU 207 Cb 0.38 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3h45 h LEU 207 CO 0.01 0.12 0.00 0.18 -0.34 0.00 0.00 178.44 178.41 3h45 n LEU 208 N -4.49 3.84 -3.98 2.25 4.77 -0.81 -4.99 117.00 113.60 3h45 n LEU 208 Ca 0.21 -2.92 -0.38 0.00 -0.03 0.00 0.00 56.01 52.89 3h45 n LEU 208 Cb 0.80 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3h45 n LEU 208 CO 0.31 0.68 -0.19 -3.20 -1.33 0.00 0.00 177.39 173.66 3h45 n ASN 209 N -0.39 -3.38 -4.02 -1.43 5.15 -0.72 -4.85 115.26 105.62 3h45 n ASN 209 Ca 0.21 -1.18 -0.31 0.00 -0.60 0.00 0.00 54.58 52.69 3h45 n ASN 209 Cb 0.86 -2.34 -0.15 0.00 -0.53 0.00 0.00 39.78 37.62 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 -3.67 2.14 0.12 -1.44 1.01 -0.72 -5.02 121.20 113.62 3h45 s ILE 210 Ca 0.37 -2.01 -0.31 0.00 0.00 0.00 0.00 60.65 58.69 3h45 s ILE 210 Cb -0.18 -2.46 -0.10 0.00 0.01 0.00 0.00 42.46 39.74 3h45 s ILE 210 CO 0.93 -0.39 1.67 -2.16 0.00 0.00 0.00 174.94 175.00 3h45 s PRO 211 N 1.02 4.18 0.19 2.79 0.04 -1.26 -4.66 135.00 137.31 3h45 s PRO 211 Ca 0.04 2.43 0.12 0.00 0.04 0.00 0.00 61.00 63.63 3h45 s PRO 211 Cb -0.19 -3.41 0.68 0.00 0.04 0.00 0.00 34.50 31.62 3h45 s PRO 211 CO -0.08 -0.72 1.37 -1.13 0.04 0.00 0.00 177.00 176.48 3h45 n SER 212 N 4.96 0.32 0.24 6.66 3.41 -1.26 -1.64 113.62 126.31 3h45 n SER 212 Ca 0.16 0.64 0.16 0.00 -0.26 0.00 0.00 58.87 59.57 3h45 n SER 212 Cb 0.39 -0.68 0.70 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.77 4.04 4.64 -1.89 -1.90 113.55 120.21 3h45 h SER 213 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 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 0.00 -0.05 0.24 -0.87 0.00 0.00 176.83 176.15 3h45 h MET 214 N 0.00 0.00 -6.57 4.77 2.86 -1.45 -3.47 114.93 111.08 3h45 h MET 214 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 3h45 h MET 214 Cb 0.37 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 3h45 h MET 214 CO 0.00 0.05 0.45 -0.51 1.06 0.00 0.00 176.91 177.96 3h45 s LEU 215 N -6.24 4.45 0.70 1.22 1.43 -0.71 -1.24 118.68 118.29 3h45 s LEU 215 Ca 0.06 1.95 -0.10 0.00 -1.03 0.00 0.00 54.13 55.01 3h45 s LEU 215 Cb 0.06 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.72 3h45 s LEU 215 CO 0.65 -0.24 1.06 -2.16 0.23 0.00 0.00 176.35 175.90 3h45 s PRO 216 N 0.17 2.65 0.23 1.29 0.04 -1.26 -5.01 135.00 133.11 3h45 s PRO 216 Ca 0.51 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 3h45 s PRO 216 Cb -0.27 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 3h45 s PRO 216 CO 0.32 -1.08 1.02 -1.21 0.04 0.00 0.00 177.00 176.08 3h45 s GLU 217 N -5.31 4.74 -0.16 4.56 2.02 -0.68 -4.82 118.70 119.05 3h45 s GLU 217 Ca 0.58 1.62 -0.15 0.00 0.02 0.00 0.00 54.97 57.04 3h45 s GLU 217 Cb -0.11 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 3h45 s GLU 217 CO 0.49 0.33 0.36 0.08 0.02 0.00 0.00 175.26 176.54 3h45 s VAL 218 N -0.93 5.25 0.40 2.63 1.01 -1.26 -1.12 120.40 126.39 3h45 s VAL 218 Ca 0.44 0.68 0.04 0.00 0.00 0.00 0.00 61.98 63.14 3h45 s VAL 218 Cb -0.28 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3h45 s VAL 218 CO 0.35 0.34 0.15 -0.54 0.00 0.00 0.00 175.10 175.40 3h45 s LYS 219 N 0.72 1.92 0.94 2.72 1.02 0.92 -4.95 119.74 123.02 3h45 s LYS 219 Ca 0.19 -2.17 -0.16 0.00 0.02 0.00 0.00 55.97 53.86 3h45 s LYS 219 Cb -0.14 -0.51 0.23 0.00 -0.52 0.00 0.00 37.83 36.89 3h45 s LYS 219 CO 0.06 -0.50 0.86 -1.13 -0.92 0.00 0.00 175.35 173.72 3h45 n SER 220 N -1.35 -1.71 0.01 2.83 3.41 -1.26 -0.99 113.62 114.57 3h45 n SER 220 Ca -0.05 -1.04 0.11 0.00 -0.26 0.00 0.00 58.87 57.63 3h45 n SER 220 Cb 0.65 -0.78 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 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 -4.39 0.67 -3.63 4.04 3.02 -0.71 -4.49 115.26 109.77 3h45 n ASN 221 Ca 0.12 -0.43 -0.29 0.00 -0.03 0.00 0.00 54.58 53.95 3h45 n ASN 221 Cb 0.45 0.71 -0.13 0.00 -0.61 0.00 0.00 39.78 40.20 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 -3.42 3.53 -0.21 6.41 0.15 -1.25 -2.16 113.70 116.74 3h45 s SER 222 Ca 0.07 -2.17 -0.34 0.00 0.70 0.00 0.00 55.95 54.21 3h45 s SER 222 Cb 0.16 -0.76 0.15 0.00 -1.71 0.00 0.00 66.02 63.86 3h45 s SER 222 CO 0.79 -0.33 1.23 -1.83 1.20 0.00 0.00 173.24 174.31 3h45 s GLU 223 N 0.98 0.26 -0.60 5.44 -1.05 -0.56 -4.77 118.70 118.41 3h45 s GLU 223 Ca 0.15 -0.05 -0.27 0.00 -0.15 0.00 0.00 54.97 54.64 3h45 s GLU 223 Cb -0.22 0.12 0.01 0.00 -0.44 0.00 0.00 34.13 33.60 3h45 s GLU 223 CO -0.08 -0.11 1.50 0.08 0.95 0.00 0.00 175.26 177.60 3h45 s VAL 224 N -1.97 3.67 0.26 1.83 1.01 -1.26 -4.21 120.40 119.73 3h45 s VAL 224 Ca 0.08 0.52 0.12 0.00 0.00 0.00 0.00 61.98 62.70 3h45 s VAL 224 Cb -0.01 -4.39 0.01 0.00 0.00 0.00 0.00 36.38 31.98 3h45 s VAL 224 CO -0.05 -1.21 1.65 1.88 0.00 0.00 0.00 175.10 177.37 3h45 h TYR 225 N 11.74 0.00 0.00 5.22 -1.99 -1.26 -3.49 116.97 127.19 3h45 h TYR 225 Ca -0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.46 3h45 h TYR 225 Cb 1.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.83 3h45 h TYR 225 CO 1.05 0.56 0.00 0.41 -0.00 0.00 0.00 178.16 180.18 3h45 n GLY 226 N 0.19 -0.71 3.12 3.88 0.00 -1.24 -4.97 105.19 105.46 3h45 n GLY 226 Ca -0.01 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.00 1.21 0.47 1.61 3.76 -1.26 -1.50 115.29 116.59 3h45 s HIS 227 Ca 0.00 -0.30 -0.24 0.00 -0.15 0.00 0.00 55.06 54.38 3h45 s HIS 227 Cb 0.00 -0.75 -0.07 0.00 1.11 0.00 0.00 32.58 32.87 3h45 s HIS 227 CO 0.00 0.01 1.33 0.95 -0.85 0.00 0.00 174.74 176.18 3h45 s THR 228 N -0.61 2.37 0.00 1.30 -4.23 0.04 -4.47 115.64 110.05 3h45 s THR 228 Ca 0.03 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 3h45 s THR 228 Cb -0.07 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.61 3h45 s THR 228 CO 0.00 0.02 0.00 -1.14 -0.54 0.00 0.00 174.62 172.97 3h45 n ARG 229 N -0.44 0.00 0.00 3.99 0.63 0.47 -3.99 116.66 117.32 3h45 n ARG 229 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 3h45 n ARG 229 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 3h45 n ARG 229 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3h45 n SER 230 N -2.31 0.00 0.00 6.15 7.64 -1.23 -4.63 113.62 119.24 3h45 n SER 230 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3h45 n SER 230 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 0.26 1.43 -0.00 -1.26 -4.77 117.16 112.81 3h45 n TYR 231 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 3h45 n TYR 231 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.29 3h45 n TYR 231 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 3h45 h GLU 232 N 0.00 -0.63 -1.01 -3.48 4.57 -2.00 -2.03 114.58 110.01 3h45 h GLU 232 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3h45 h GLU 232 Cb 0.00 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3h45 h GLU 232 CO 0.00 -0.42 0.00 1.19 -1.18 0.00 0.00 179.01 178.60 3h45 n PHE 233 N -3.76 0.00 0.12 0.92 3.72 -1.26 -4.09 117.46 113.11 3h45 n PHE 233 Ca -0.08 -0.11 0.07 0.00 -0.05 0.00 0.00 57.45 57.28 3h45 n PHE 233 Cb 0.26 -0.11 0.37 0.00 -0.94 0.00 0.00 39.48 39.06 3h45 n PHE 233 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3h45 n TYR 234 N 0.53 0.46 -0.33 1.38 9.36 -0.76 -0.11 117.16 127.69 3h45 n TYR 234 Ca 0.00 0.24 0.18 0.00 3.32 0.00 0.00 57.90 61.64 3h45 n TYR 234 Cb 0.17 -0.82 0.39 0.00 -0.63 0.00 0.00 39.34 38.45 3h45 n TYR 234 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3h45 h GLY 235 N 0.00 1.84 -1.70 2.98 0.00 -1.85 -3.45 103.07 100.89 3h45 h GLY 235 Ca 0.00 -0.24 0.31 0.00 0.00 0.00 0.00 47.33 47.40 3h45 h GLY 235 CO 0.00 -0.33 0.83 -1.14 0.00 0.00 0.00 176.54 175.90 3h45 n SER 236 N -4.99 -1.19 -4.45 0.19 3.41 0.84 -4.46 113.62 102.96 3h45 n SER 236 Ca 0.27 -1.30 -0.43 0.00 -0.26 0.00 0.00 58.87 57.15 3h45 n SER 236 Cb 0.79 1.86 -0.04 0.00 -0.26 0.00 0.00 64.21 66.56 3h45 n SER 236 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3h45 s GLU 237 N -2.02 3.11 0.05 4.33 2.02 -1.26 -4.82 118.70 120.12 3h45 s GLU 237 Ca 0.28 -0.83 -0.21 0.00 0.02 0.00 0.00 54.97 54.23 3h45 s GLU 237 Cb -0.01 -4.22 -0.06 0.00 0.10 0.00 0.00 34.13 29.93 3h45 s GLU 237 CO -0.00 -1.80 0.63 0.08 0.02 0.00 0.00 175.26 174.19 3h45 s VAL 238 N 4.03 4.75 0.24 2.63 1.01 -1.26 -4.78 120.40 127.03 3h45 s VAL 238 Ca 0.22 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 3h45 s VAL 238 Cb -0.17 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 3h45 s VAL 238 CO 0.10 0.48 1.33 -2.84 0.00 0.00 0.00 175.10 174.17 3h45 s PRO 239 N -0.67 4.37 -0.42 2.72 0.02 -1.26 -0.78 135.00 138.98 3h45 s PRO 239 Ca 0.32 2.13 -0.07 0.00 0.02 0.00 0.00 61.00 63.39 3h45 s PRO 239 Cb -0.20 -3.15 0.09 0.00 0.02 0.00 0.00 34.50 31.27 3h45 s PRO 239 CO 0.20 -0.25 0.25 0.42 -0.33 0.00 0.00 177.00 177.28 3h45 s ILE 240 N -0.24 3.92 0.00 2.83 1.01 -0.56 -0.79 121.20 127.36 3h45 s ILE 240 Ca 0.55 -1.64 0.00 0.00 0.00 0.00 0.00 60.65 59.56 3h45 s ILE 240 Cb -0.38 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3h45 s ILE 240 CO 0.42 -0.58 0.71 0.00 0.00 0.00 0.00 174.94 175.49 3h45 n ALA 241 N 4.82 2.20 -3.56 9.38 0.00 -0.69 -0.73 120.51 131.93 3h45 n ALA 241 Ca -0.08 -0.71 -0.15 0.00 0.00 0.00 0.00 53.44 52.50 3h45 n ALA 241 Cb 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.44 0.14 -0.10 0.00 0.00 -1.06 -1.50 107.32 104.35 3h45 s GLY 242 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 44.72 44.82 3h45 s GLY 242 CO 0.00 0.51 0.27 1.06 0.00 0.00 0.00 173.10 174.94 3h45 s MET 243 N 0.83 0.30 -0.09 2.90 -1.94 -0.92 0.64 119.30 121.02 3h45 s MET 243 Ca -0.07 0.41 -0.30 0.00 -1.71 0.00 0.00 55.69 54.02 3h45 s MET 243 Cb -0.11 0.10 0.12 0.00 2.01 0.00 0.00 34.83 36.94 3h45 s MET 243 CO -0.02 -0.06 0.96 0.00 -0.01 0.00 0.00 175.02 175.88 3h45 s ALA 244 N 0.39 -1.89 0.63 3.03 0.00 -0.83 -4.50 121.76 118.59 3h45 s ALA 244 Ca -0.02 1.32 -0.17 0.00 0.00 0.00 0.00 51.96 53.08 3h45 s ALA 244 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3h45 s ALA 244 CO -0.02 -0.51 1.16 0.20 0.00 0.00 0.00 175.76 176.60 3h45 s GLY 245 N -1.83 2.48 0.24 0.00 0.00 -1.26 -2.90 107.32 104.03 3h45 s GLY 245 Ca 0.02 0.82 -0.05 0.00 0.00 0.00 0.00 44.72 45.51 3h45 s GLY 245 CO -0.04 1.19 1.71 1.29 0.00 0.00 0.00 173.10 177.25 3h45 h ASP 246 N 0.47 0.15 -0.49 1.64 3.04 -0.75 0.66 116.42 121.13 3h45 h ASP 246 Ca -0.49 0.12 -0.04 0.00 -3.24 0.00 0.00 57.03 53.38 3h45 h ASP 246 Cb 1.28 0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 39.68 3h45 h ASP 246 CO 0.54 0.04 0.13 1.56 -2.04 0.00 0.00 179.24 179.47 3h45 h GLN 247 N 0.35 0.78 -0.12 4.15 1.08 -1.90 0.15 115.11 119.61 3h45 h GLN 247 Ca 0.40 -0.18 -0.11 0.00 -1.45 0.00 0.00 58.65 57.32 3h45 h GLN 247 Cb 0.65 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3h45 h GLN 247 CO -0.44 0.75 -0.40 1.96 -0.95 0.00 0.00 178.83 179.74 3h45 h GLN 248 N 0.67 0.26 -0.42 1.46 7.50 -1.74 -1.61 115.11 121.23 3h45 h GLN 248 Ca 0.16 -0.12 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 3h45 h GLN 248 Cb 0.31 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.82 3h45 h GLN 248 CO -0.00 0.62 0.20 0.00 -1.50 0.00 0.00 178.83 178.15 3h45 h ALA 249 N 1.37 0.54 -0.91 3.87 0.00 -0.15 -1.01 119.26 122.98 3h45 h ALA 249 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h45 h ALA 249 Cb 0.81 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3h45 h ALA 249 CO 0.06 0.11 0.58 0.00 0.00 0.00 0.00 179.25 180.01 3h45 h ALA 250 N 1.04 1.32 -0.90 0.00 0.00 -0.36 0.34 119.26 120.70 3h45 h ALA 250 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h45 h ALA 250 Cb 0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3h45 h ALA 250 CO -0.02 0.61 0.56 1.25 0.00 0.00 0.00 179.25 181.66 3h45 h LEU 251 N 1.24 1.07 -0.44 0.00 5.85 -0.75 0.13 115.31 122.40 3h45 h LEU 251 Ca 0.33 -0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.82 3h45 h LEU 251 Cb -0.11 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 3h45 h LEU 251 CO -0.07 0.81 -0.75 0.15 -0.34 0.00 0.00 178.44 178.24 3h45 h PHE 252 N 1.23 0.34 -0.36 1.25 3.57 -0.50 -2.47 116.94 120.00 3h45 h PHE 252 Ca 0.32 -0.16 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 3h45 h PHE 252 Cb -0.08 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3h45 h PHE 252 CO -0.00 0.90 -0.19 0.78 -2.23 0.00 0.00 178.31 177.57 3h45 h GLY 253 N 1.61 0.74 1.00 2.40 0.00 -0.06 -0.73 103.07 108.02 3h45 h GLY 253 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3h45 h GLY 253 CO 0.12 0.55 0.00 -1.06 0.00 0.00 0.00 176.54 176.15 3h45 n GLN 254 N -4.13 0.61 -3.90 4.80 1.13 0.36 -4.83 117.38 111.42 3h45 n GLN 254 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 3h45 n GLN 254 Cb 0.40 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.28 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 -1.00 -5.63 -2.86 -1.09 2.81 -0.28 -4.88 117.12 104.19 3h45 n MET 255 Ca 0.15 0.61 -0.44 0.00 -1.81 0.00 0.00 57.70 56.21 3h45 n MET 255 Cb 0.07 -5.50 0.00 0.00 -0.71 0.00 0.00 33.22 27.08 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 -4.70 4.69 0.02 3.04 0.00 -0.94 -4.73 120.51 117.88 3h45 n ALA 256 Ca 0.04 -4.48 -0.02 0.00 0.00 0.00 0.00 53.44 48.98 3h45 n ALA 256 Cb 0.53 -2.75 -0.10 0.00 0.00 0.00 0.00 19.45 17.13 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 3.52 0.98 -2.31 0.00 3.72 -1.26 -4.80 117.46 117.30 3h45 n PHE 257 Ca 0.33 0.33 -0.32 0.00 -0.05 0.00 0.00 57.45 57.74 3h45 n PHE 257 Cb 0.38 -1.11 -0.03 0.00 -0.94 0.00 0.00 39.48 37.79 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 -2.85 3.84 0.23 -1.08 0.41 -1.26 -4.88 118.70 113.11 3h45 s GLU 258 Ca -0.03 0.97 -0.30 0.00 -0.41 0.00 0.00 54.97 55.20 3h45 s GLU 258 Cb 0.09 -2.12 -0.10 0.00 -1.78 0.00 0.00 34.13 30.22 3h45 s GLU 258 CO 0.81 -0.36 1.46 0.21 -0.49 0.00 0.00 175.26 176.89 3h45 s LYS 259 N -4.16 4.26 0.00 1.61 2.20 -1.26 -2.48 119.74 119.91 3h45 s LYS 259 Ca 0.59 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 3h45 s LYS 259 Cb -0.11 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 3h45 s LYS 259 CO 0.34 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 3h45 n GLY 260 N 2.47 2.53 3.73 5.54 0.00 0.51 -4.99 105.19 114.98 3h45 n GLY 260 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.84 4.36 -0.00 1.61 -1.94 -1.04 -4.81 119.30 116.64 3h45 s MET 261 Ca 0.00 2.09 0.02 0.00 -1.71 0.00 0.00 55.69 56.09 3h45 s MET 261 Cb 0.00 -3.20 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 3h45 s MET 261 CO 0.00 -0.31 -0.07 -1.50 -0.01 0.00 0.00 175.02 173.12 3h45 s ILE 262 N 0.33 0.57 0.27 2.53 2.07 -1.26 -1.43 121.20 124.27 3h45 s ILE 262 Ca 0.59 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 59.53 3h45 s ILE 262 Cb -0.37 -0.48 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 3h45 s ILE 262 CO 0.37 0.16 0.13 -1.59 -1.91 0.00 0.00 174.94 172.10 3h45 s LYS 263 N -0.18 1.46 -0.07 3.50 0.00 -0.49 -1.36 119.74 122.59 3h45 s LYS 263 Ca 0.03 -1.81 -0.04 0.00 0.00 0.00 0.00 55.97 54.15 3h45 s LYS 263 Cb -0.03 -0.09 0.04 0.00 0.00 0.00 0.00 37.83 37.75 3h45 s LYS 263 CO -0.00 -0.38 0.17 1.21 0.00 0.00 0.00 175.35 176.34 3h45 s ASN 264 N -3.31 -0.15 -0.25 0.03 2.47 0.07 -0.77 114.94 113.03 3h45 s ASN 264 Ca 0.37 0.35 -0.04 0.00 0.42 0.00 0.00 52.86 53.97 3h45 s ASN 264 Cb 0.06 0.25 0.01 0.00 -1.45 0.00 0.00 41.25 40.12 3h45 s ASN 264 CO 0.15 -0.15 -0.01 -0.89 -3.72 0.00 0.00 177.10 172.48 3h45 s THR 265 N 1.12 3.35 -0.71 -5.21 2.01 -0.97 -2.10 115.64 113.12 3h45 s THR 265 Ca -0.09 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 60.94 3h45 s THR 265 Cb -0.11 -2.65 0.08 0.00 0.01 0.00 0.00 72.50 69.83 3h45 s THR 265 CO -0.06 0.24 1.00 -0.31 -0.69 0.00 0.00 174.62 174.79 3h45 s TYR 266 N 1.42 2.74 0.00 4.92 2.02 0.08 -2.70 117.35 125.83 3h45 s TYR 266 Ca 0.03 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 3h45 s TYR 266 Cb -0.16 -4.30 0.00 0.00 -0.40 0.00 0.00 41.96 37.10 3h45 s TYR 266 CO -0.02 -1.63 0.00 0.41 -1.57 0.00 0.00 175.55 172.74 3h45 n GLY 267 N 5.39 5.10 0.37 0.71 0.00 -1.26 -2.06 105.19 113.43 3h45 n GLY 267 Ca 0.01 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.25 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 1.04 -4.82 2.61 2.02 -1.93 -1.03 112.91 110.80 3h45 h THR 268 Ca 0.00 -0.36 -0.54 0.00 0.77 0.00 0.00 66.41 66.28 3h45 h THR 268 Cb 0.00 -0.11 -0.11 0.00 -1.74 0.00 0.00 68.15 66.19 3h45 h THR 268 CO 0.00 0.19 -0.43 0.61 0.37 0.00 0.00 175.52 176.26 3h45 n GLY 269 N -1.38 3.40 3.16 2.16 0.00 -1.26 -1.19 105.19 110.08 3h45 n GLY 269 Ca 0.15 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 3h45 n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h45 s ALA 270 N -2.95 1.78 -0.17 4.61 0.00 -0.54 -4.45 121.76 120.05 3h45 s ALA 270 Ca 0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 3h45 s ALA 270 Cb 0.01 -0.65 0.05 0.00 0.00 0.00 0.00 23.12 22.52 3h45 s ALA 270 CO 0.09 0.26 -0.01 -0.06 0.00 0.00 0.00 175.76 176.04 3h45 s PHE 271 N 0.26 1.36 -0.15 0.00 0.08 -1.10 -0.50 117.98 117.94 3h45 s PHE 271 Ca -0.12 -0.91 -0.22 0.00 0.12 0.00 0.00 56.93 55.81 3h45 s PHE 271 Cb -0.15 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 41.11 3h45 s PHE 271 CO 0.05 -0.58 0.65 0.42 -0.10 0.00 0.00 175.22 175.66 3h45 s ILE 272 N 1.75 5.04 -0.05 0.64 1.09 -0.22 -2.30 121.20 127.14 3h45 s ILE 272 Ca 0.00 1.27 0.03 0.00 -1.10 0.00 0.00 60.65 60.85 3h45 s ILE 272 Cb -0.16 -3.97 0.01 0.00 -1.06 0.00 0.00 42.46 37.28 3h45 s ILE 272 CO -0.07 0.17 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.14 3h45 s VAL 273 N 1.43 1.03 -0.13 2.92 1.01 0.05 -0.54 120.40 126.18 3h45 s VAL 273 Ca 0.32 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3h45 s VAL 273 Cb -0.16 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.30 3h45 s VAL 273 CO 0.13 0.32 -0.18 -0.32 0.00 0.00 0.00 175.10 175.05 3h45 s MET 274 N 0.44 2.59 -0.03 2.72 0.00 -0.55 -1.40 119.30 123.08 3h45 s MET 274 Ca -0.09 -0.70 -0.30 0.00 0.00 0.00 0.00 55.69 54.60 3h45 s MET 274 Cb -0.13 -2.15 -0.06 0.00 0.00 0.00 0.00 34.83 32.49 3h45 s MET 274 CO 0.02 -0.05 1.68 1.21 0.00 0.00 0.00 175.02 177.88 3h45 s ASN 275 N 0.94 6.64 0.00 1.11 3.84 -0.51 -0.64 114.94 126.31 3h45 s ASN 275 Ca -0.06 2.31 0.19 0.00 0.21 0.00 0.00 52.86 55.50 3h45 s ASN 275 Cb -0.15 -2.54 0.46 0.00 -0.55 0.00 0.00 41.25 38.47 3h45 s ASN 275 CO -0.02 -0.93 1.38 0.35 -2.79 0.00 0.00 177.10 175.08 3h45 n THR 276 N 5.39 0.79 -3.30 -5.21 -2.24 0.48 -0.36 114.28 109.83 3h45 n THR 276 Ca 0.17 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3h45 n THR 276 Cb 0.42 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.24 -1.18 0.29 3.38 0.00 -1.25 -4.02 105.19 103.65 3h45 n GLY 277 Ca 0.18 -1.37 0.06 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 1.37 -4.61 1.61 1.02 -1.26 0.29 120.64 119.07 3h45 n GLU 278 Ca 0.00 -0.57 -0.30 0.00 -0.02 0.00 0.00 57.16 56.27 3h45 n GLU 278 Cb 0.00 -1.22 -0.17 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.83 2.50 0.11 3.49 0.41 -1.26 -4.85 118.70 117.28 3h45 s GLU 279 Ca 0.19 -0.67 -0.31 0.00 -0.41 0.00 0.00 54.97 53.77 3h45 s GLU 279 Cb 0.10 -2.06 -0.09 0.00 -1.78 0.00 0.00 34.13 30.30 3h45 s GLU 279 CO 0.15 -0.02 1.59 -2.14 -0.49 0.00 0.00 175.26 174.35 3h45 s PRO 280 N 0.85 4.22 0.20 0.39 0.02 -1.26 -4.79 135.00 134.62 3h45 s PRO 280 Ca -0.08 2.32 -0.32 0.00 0.02 0.00 0.00 61.00 62.93 3h45 s PRO 280 Cb -0.15 -3.37 -0.11 0.00 0.02 0.00 0.00 34.50 30.88 3h45 s PRO 280 CO -0.00 -0.65 1.69 -1.14 -0.33 0.00 0.00 177.00 176.56 3h45 s GLN 281 N 1.85 4.14 0.19 5.54 0.74 -1.26 -4.90 119.66 125.96 3h45 s GLN 281 Ca 0.71 2.55 -0.11 0.00 0.05 0.00 0.00 55.36 58.56 3h45 s GLN 281 Cb -0.41 -3.09 0.12 0.00 1.10 0.00 0.00 33.01 30.72 3h45 s GLN 281 CO 0.31 -0.72 1.81 1.25 -0.55 0.00 0.00 175.29 177.39 3h45 h LEU 282 N 6.81 0.85 -8.64 3.68 5.85 -1.97 -3.41 115.31 118.48 3h45 h LEU 282 Ca -0.43 -0.09 -0.69 0.00 0.84 0.00 0.00 57.88 57.51 3h45 h LEU 282 Cb 1.20 -0.22 -0.19 0.00 0.37 0.00 0.00 40.66 41.82 3h45 h LEU 282 CO 0.95 0.70 -0.40 -0.44 -0.34 0.00 0.00 178.44 178.91 3h45 s SER 283 N -5.99 6.11 -0.26 1.25 0.01 -1.26 -4.89 113.70 108.67 3h45 s SER 283 Ca -0.13 -0.54 0.18 0.00 1.31 0.00 0.00 55.95 56.78 3h45 s SER 283 Cb 0.14 -2.17 0.44 0.00 0.21 0.00 0.00 66.02 64.65 3h45 s SER 283 CO 0.79 -0.35 1.27 -0.90 0.41 0.00 0.00 173.24 174.45 3h45 n ASP 284 N 5.23 0.30 0.00 2.44 3.85 -1.26 -4.54 116.55 122.57 3h45 n ASP 284 Ca -0.11 -2.09 0.00 0.00 -0.71 0.00 0.00 54.79 51.88 3h45 n ASP 284 Cb 0.49 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.25 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 -0.83 0.00 -2.23 -1.12 5.15 -1.26 -1.49 115.26 113.48 3h45 n ASN 285 Ca -0.04 0.39 -0.27 0.00 -0.60 0.00 0.00 54.58 54.06 3h45 n ASN 285 Cb 0.85 -0.12 0.13 0.00 -0.53 0.00 0.00 39.78 40.12 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 -1.54 5.29 0.00 1.20 8.00 -1.26 -4.95 116.55 123.28 3h45 n ASP 286 Ca 0.00 -3.62 0.00 0.00 0.71 0.00 0.00 54.79 51.88 3h45 n ASP 286 Cb 0.00 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 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 -0.98 0.00 -4.00 0.64 4.77 -0.56 -4.36 117.00 112.51 3h45 n LEU 287 Ca 0.59 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.41 3h45 n LEU 287 Cb 1.24 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 42.19 3h45 n LEU 287 CO 0.66 0.00 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.55 3h45 s LEU 288 N 0.00 2.07 -0.19 2.23 1.43 -0.93 -4.79 118.68 118.51 3h45 s LEU 288 Ca 0.00 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3h45 s LEU 288 Cb 0.00 -0.29 -0.00 0.00 0.03 0.00 0.00 46.19 45.92 3h45 s LEU 288 CO 0.00 0.01 -0.10 -0.89 0.23 0.00 0.00 176.35 175.60 3h45 s THR 289 N -0.45 3.02 0.25 5.49 2.01 -0.12 -0.60 115.64 125.24 3h45 s THR 289 Ca -0.00 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.40 3h45 s THR 289 Cb -0.04 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 3h45 s THR 289 CO -0.00 0.47 0.27 0.35 -0.69 0.00 0.00 174.62 175.02 3h45 n THR 290 N 4.47 0.00 -3.24 -0.82 -2.24 -0.39 -4.30 114.28 107.76 3h45 n THR 290 Ca -0.19 -1.60 -0.39 0.00 -2.27 0.00 0.00 64.05 59.61 3h45 n THR 290 Cb 0.51 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 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 -2.88 5.13 -0.09 2.28 1.01 -1.26 -0.41 121.20 124.98 3h45 s ILE 291 Ca 0.26 1.04 -0.13 0.00 0.00 0.00 0.00 60.65 61.83 3h45 s ILE 291 Cb 0.01 -3.87 -0.10 0.00 0.01 0.00 0.00 42.46 38.51 3h45 s ILE 291 CO 0.19 0.26 0.43 1.23 0.00 0.00 0.00 174.94 177.05 3h45 h GLY 292 N 7.15 -0.12 -4.21 6.18 0.00 -0.25 -3.40 103.07 108.41 3h45 h GLY 292 Ca -0.38 0.05 0.25 0.00 0.00 0.00 0.00 47.33 47.24 3h45 h GLY 292 CO 0.75 -0.05 0.87 -2.52 0.00 0.00 0.00 176.54 175.59 3h45 s TYR 293 N -2.32 -0.10 -0.20 5.60 -0.85 -0.79 -4.66 117.35 114.02 3h45 s TYR 293 Ca -0.08 0.11 -0.01 0.00 -0.52 0.00 0.00 57.07 56.57 3h45 s TYR 293 Cb -0.00 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.84 3h45 s TYR 293 CO 0.28 -0.13 -0.12 0.20 -1.52 0.00 0.00 175.55 174.26 3h45 s GLY 294 N -1.71 1.51 0.08 5.49 0.00 -1.26 -0.54 107.32 110.88 3h45 s GLY 294 Ca 0.09 -1.22 -0.09 0.00 0.00 0.00 0.00 44.72 43.50 3h45 s GLY 294 CO -0.05 0.37 0.19 -1.50 0.00 0.00 0.00 173.10 172.11 3h45 s ILE 295 N 1.38 0.14 -1.70 0.90 2.07 0.92 -1.74 121.20 123.17 3h45 s ILE 295 Ca 0.05 -1.14 -0.17 0.00 -1.41 0.00 0.00 60.65 57.97 3h45 s ILE 295 Cb -0.14 -1.27 0.15 0.00 0.13 0.00 0.00 42.46 41.33 3h45 s ILE 295 CO -0.08 -0.63 0.73 0.59 -1.91 0.00 0.00 174.94 173.65 3h45 n ASN 296 N 0.07 -2.91 0.00 4.50 3.02 -1.26 0.38 115.26 119.06 3h45 n ASN 296 Ca -0.16 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3h45 n ASN 296 Cb 0.62 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 37.12 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 -1.43 0.53 3.35 7.41 0.00 -1.26 -5.01 105.19 108.78 3h45 n GLY 297 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.33 1.35 -0.17 1.61 1.02 0.16 -5.14 119.74 118.24 3h45 s LYS 298 Ca 0.00 -1.56 0.01 0.00 0.02 0.00 0.00 55.97 54.45 3h45 s LYS 298 Cb 0.00 -1.25 0.01 0.00 -0.52 0.00 0.00 37.83 36.08 3h45 s LYS 298 CO 0.00 0.22 -0.20 0.08 -0.92 0.00 0.00 175.35 174.54 3h45 s VAL 299 N -2.66 2.15 -0.20 3.17 1.01 -1.26 -0.05 120.40 122.55 3h45 s VAL 299 Ca 0.21 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3h45 s VAL 299 Cb -0.03 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3h45 s VAL 299 CO 0.08 0.54 0.03 -0.31 0.00 0.00 0.00 175.10 175.43 3h45 s TYR 300 N 1.10 3.10 0.73 5.22 2.02 0.29 -4.35 117.35 125.46 3h45 s TYR 300 Ca 0.00 -0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 3h45 s TYR 300 Cb -0.14 -2.10 0.11 0.00 -0.40 0.00 0.00 41.96 39.43 3h45 s TYR 300 CO -0.08 -0.14 1.01 0.71 -1.57 0.00 0.00 175.55 175.48 3h45 s TYR 301 N 0.91 1.96 0.10 2.71 2.02 0.15 0.39 117.35 125.58 3h45 s TYR 301 Ca 0.02 -0.05 -0.19 0.00 -0.37 0.00 0.00 57.07 56.48 3h45 s TYR 301 Cb -0.14 -3.15 0.04 0.00 -0.40 0.00 0.00 41.96 38.31 3h45 s TYR 301 CO 0.02 -1.68 0.46 0.00 -1.57 0.00 0.00 175.55 172.77 3h45 s ALA 302 N -3.21 -1.12 -0.22 3.71 0.00 0.45 -0.39 121.76 120.98 3h45 s ALA 302 Ca 0.65 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 3h45 s ALA 302 Cb -0.07 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.65 3h45 s ALA 302 CO 0.45 -0.60 -0.06 -0.51 0.00 0.00 0.00 175.76 175.03 3h45 s LEU 303 N -2.49 2.87 0.16 0.00 1.43 0.19 -1.26 118.68 119.57 3h45 s LEU 303 Ca -0.00 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.64 3h45 s LEU 303 Cb 0.00 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3h45 s LEU 303 CO -0.08 -0.04 0.08 -0.70 0.23 0.00 0.00 176.35 175.84 3h45 s GLU 304 N 1.43 2.72 -0.18 1.70 2.12 0.23 -1.48 118.70 125.23 3h45 s GLU 304 Ca 0.05 -0.93 -0.04 0.00 0.36 0.00 0.00 54.97 54.41 3h45 s GLU 304 Cb -0.15 -2.55 0.06 0.00 0.26 0.00 0.00 34.13 31.75 3h45 s GLU 304 CO -0.05 0.48 0.05 0.20 -0.54 0.00 0.00 175.26 175.41 3h45 s GLY 305 N -2.95 0.57 -0.15 -1.50 0.00 0.30 -2.19 107.32 101.41 3h45 s GLY 305 Ca 0.29 -0.54 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 3h45 s GLY 305 CO 0.21 1.53 0.01 -1.35 0.00 0.00 0.00 173.10 173.50 3h45 s SER 306 N 1.96 5.20 -0.34 1.64 1.04 -1.26 -1.05 113.70 120.88 3h45 s SER 306 Ca 0.00 0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.41 3h45 s SER 306 Cb -0.17 -1.77 0.07 0.00 0.10 0.00 0.00 66.02 64.25 3h45 s SER 306 CO -0.08 0.22 0.09 -0.63 0.98 0.00 0.00 173.24 173.82 3h45 s ILE 307 N 0.05 3.31 0.08 -1.02 -1.09 0.34 -1.25 121.20 121.63 3h45 s ILE 307 Ca 0.02 -1.51 -0.26 0.00 -2.23 0.00 0.00 60.65 56.67 3h45 s ILE 307 Cb -0.13 -3.00 -0.16 0.00 -1.58 0.00 0.00 42.46 37.59 3h45 s ILE 307 CO 0.02 -0.30 1.68 -0.26 -1.23 0.00 0.00 174.94 174.85 3h45 h PHE 308 N 8.08 -0.28 -3.71 3.97 0.04 -1.89 -1.43 116.94 121.72 3h45 h PHE 308 Ca -0.19 -0.01 -0.64 0.00 2.80 0.00 0.00 57.97 59.93 3h45 h PHE 308 Cb 1.06 0.09 -0.19 0.00 2.20 0.00 0.00 35.95 39.11 3h45 h PHE 308 CO 0.59 -0.16 -0.57 0.08 -0.60 0.00 0.00 178.31 177.65 3h45 s VAL 309 N -6.08 4.78 0.00 -0.55 1.01 -1.26 -4.11 120.40 114.19 3h45 s VAL 309 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3h45 s VAL 309 Cb 0.05 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3h45 s VAL 309 CO 0.64 0.32 0.00 0.00 0.00 0.00 0.00 175.10 176.06 3h45 n ALA 310 N 4.82 1.35 0.01 5.51 0.00 -0.78 -4.82 120.51 126.60 3h45 n ALA 310 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3h45 n ALA 310 Cb 0.52 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.28 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 0.55 2.00 0.00 0.00 0.25 -1.51 103.07 104.36 3h45 h GLY 311 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3h45 h GLY 311 CO 0.00 0.29 -0.05 1.48 0.00 0.00 0.00 176.54 178.26 3h45 h SER 312 N 0.49 0.00 -0.00 0.19 4.64 -1.71 -0.33 113.55 116.83 3h45 h SER 312 Ca 0.11 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 3h45 h SER 312 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3h45 h SER 312 CO 0.01 0.05 -0.26 0.00 -0.87 0.00 0.00 176.83 175.76 3h45 h ALA 313 N 1.95 1.14 0.01 5.18 0.00 -1.55 -0.47 119.26 125.51 3h45 h ALA 313 Ca -0.00 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 3h45 h ALA 313 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h45 h ALA 313 CO 0.01 0.54 -0.90 0.82 0.00 0.00 0.00 179.25 179.72 3h45 h ILE 314 N 0.37 1.50 -0.57 0.00 2.04 -1.13 -2.81 117.51 116.91 3h45 h ILE 314 Ca 0.05 -2.68 -0.05 0.00 1.00 0.00 0.00 64.86 63.19 3h45 h ILE 314 Cb 0.66 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.22 3h45 h ILE 314 CO 0.05 0.78 0.15 -0.61 0.00 0.00 0.00 178.15 178.52 3h45 h GLN 315 N 0.10 0.88 -0.47 2.37 4.15 -0.81 -2.23 115.11 119.09 3h45 h GLN 315 Ca -0.05 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.08 3h45 h GLN 315 Cb 1.55 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 29.09 3h45 h GLN 315 CO 0.14 0.78 -0.15 2.35 -1.93 0.00 0.00 178.83 180.01 3h45 h TRP 316 N 0.84 1.01 0.00 3.99 7.01 -0.98 0.18 115.95 128.01 3h45 h TRP 316 Ca 0.19 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 3h45 h TRP 316 Cb 0.29 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.10 3h45 h TRP 316 CO 0.02 0.98 -0.06 -0.07 -2.79 0.00 0.00 178.44 176.52 3h45 h LEU 317 N 0.80 0.00 0.01 0.65 3.38 -1.16 0.46 115.31 119.45 3h45 h LEU 317 Ca 0.12 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.85 3h45 h LEU 317 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3h45 h LEU 317 CO 0.05 0.06 -1.31 -0.09 0.09 0.00 0.00 178.44 177.24 3h45 h ARG 318 N 0.00 0.03 0.00 1.13 2.43 -0.87 0.47 114.38 117.57 3h45 h ARG 318 Ca -0.00 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 3h45 h ARG 318 Cb 0.15 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3h45 h ARG 318 CO 0.01 1.02 -1.37 -0.25 -1.51 0.00 0.00 179.97 177.88 3h45 n ASP 319 N -4.34 0.80 0.00 -3.80 8.00 0.56 -3.47 116.55 114.29 3h45 n ASP 319 Ca -0.32 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3h45 n ASP 319 Cb 0.72 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 3h45 n ASP 319 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h45 n GLY 320 N 1.35 0.16 0.13 0.44 0.00 0.16 -4.58 105.19 102.84 3h45 n GLY 320 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3h45 n GLY 320 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h45 h LEU 321 N 0.00 0.00 -0.11 0.99 3.38 -1.61 -3.47 115.31 114.50 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 0.00 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.85 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 -2.42 -6.69 0.21 1.13 1.74 -0.89 -4.87 116.66 104.87 3h45 n ARG 322 Ca 0.05 0.86 0.11 0.00 -0.77 0.00 0.00 57.85 58.09 3h45 n ARG 322 Cb 0.45 -5.83 0.15 0.00 -1.02 0.00 0.00 32.46 26.21 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 -2.17 0.00 -4.80 5.56 4.05 -0.32 -3.46 114.93 113.79 3h45 h MET 323 Ca -0.56 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 58.54 3h45 h MET 323 Cb 1.37 0.00 -0.22 0.00 -0.80 0.00 0.00 31.60 31.95 3h45 h MET 323 CO 0.57 0.07 -0.75 0.96 0.23 0.00 0.00 176.91 177.99 3h45 s ILE 324 N -3.18 0.72 -0.04 1.77 -4.36 -1.14 -5.03 121.20 109.95 3h45 s ILE 324 Ca 0.06 -1.07 -0.25 0.00 -0.26 0.00 0.00 60.65 59.14 3h45 s ILE 324 Cb 0.05 -0.74 -0.21 0.00 1.25 0.00 0.00 42.46 42.81 3h45 s ILE 324 CO 0.68 -0.27 1.12 -0.33 0.24 0.00 0.00 174.94 176.37 3h45 h GLU 325 N 4.59 0.13 -4.46 0.37 5.08 -1.92 -3.41 114.58 114.97 3h45 h GLU 325 Ca -0.37 -0.11 -0.30 0.00 -1.00 0.00 0.00 59.36 57.58 3h45 h GLU 325 Cb 1.20 0.02 -0.25 0.00 0.50 0.00 0.00 28.75 30.22 3h45 h GLU 325 CO 0.41 0.78 -0.74 0.95 -1.00 0.00 0.00 179.01 179.41 3h45 s THR 326 N -3.53 0.49 0.28 1.13 -4.23 -1.26 -5.04 115.64 103.49 3h45 s THR 326 Ca -0.16 -0.68 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 3h45 s THR 326 Cb 0.01 -0.50 0.30 0.00 1.34 0.00 0.00 72.50 73.66 3h45 s THR 326 CO 0.72 -0.14 1.66 0.28 -0.54 0.00 0.00 174.62 176.59 3h45 h SER 327 N 5.22 0.04 0.33 3.99 0.02 -1.89 0.25 113.55 121.50 3h45 h SER 327 Ca -0.32 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3h45 h SER 327 Cb 1.20 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.98 3h45 h SER 327 CO 0.45 -0.13 -0.04 -0.65 -1.14 0.00 0.00 176.83 175.32 3h45 h PRO 328 N 0.24 0.00 0.00 3.45 0.11 -1.98 -2.34 132.00 131.48 3h45 h PRO 328 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 3h45 h PRO 328 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3h45 h PRO 328 CO -0.63 0.04 0.00 0.94 -0.21 0.00 0.00 178.00 178.15 3h45 n GLN 329 N -3.37 0.17 -0.17 1.05 7.27 0.86 -2.86 117.38 120.33 3h45 n GLN 329 Ca -0.02 0.46 -0.09 0.00 0.07 0.00 0.00 57.00 57.42 3h45 n GLN 329 Cb 0.18 -1.86 0.01 0.00 2.41 0.00 0.00 30.24 30.97 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 0.73 -0.52 1.69 4.64 -1.50 -2.55 113.55 116.03 3h45 h SER 330 Ca 0.00 -0.21 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 3h45 h SER 330 Cb 0.28 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 3h45 h SER 330 CO 0.00 0.75 0.31 -0.08 -0.87 0.00 0.00 176.83 176.93 3h45 h GLU 331 N 0.68 0.59 -0.04 4.77 4.81 -1.74 0.42 114.58 124.06 3h45 h GLU 331 Ca 0.16 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3h45 h GLU 331 Cb 0.28 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3h45 h GLU 331 CO -0.00 0.39 -0.01 0.93 -0.73 0.00 0.00 179.01 179.59 3h45 h GLU 332 N 0.61 0.00 0.60 1.92 5.08 -1.70 0.60 114.58 121.69 3h45 h GLU 332 Ca 0.21 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3h45 h GLU 332 Cb 0.03 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3h45 h GLU 332 CO -0.10 0.00 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.40 3h45 h LEU 333 N 0.00 -1.15 -1.86 1.33 3.38 -1.10 -1.89 115.31 114.02 3h45 h LEU 333 Ca 0.02 0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.27 3h45 h LEU 333 Cb 0.03 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3h45 h LEU 333 CO -0.04 -0.64 0.66 0.00 0.09 0.00 0.00 178.44 178.51 3h45 h ALA 334 N -1.16 2.54 -0.04 1.53 0.00 0.01 0.33 119.26 122.47 3h45 h ALA 334 Ca -0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 3h45 h ALA 334 Cb 0.82 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3h45 h ALA 334 CO 0.03 -1.02 -0.63 0.00 0.00 0.00 0.00 179.25 177.63 3h45 h ALA 335 N 1.36 0.86 -0.01 0.00 0.00 -0.07 -3.13 119.26 118.28 3h45 h ALA 335 Ca 0.34 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3h45 h ALA 335 Cb 1.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3h45 h ALA 335 CO -0.00 0.76 -0.06 1.63 0.00 0.00 0.00 179.25 181.58 3h45 n LYS 336 N -3.83 1.17 -1.64 0.00 4.76 0.12 -4.93 118.16 113.81 3h45 n LYS 336 Ca -0.02 -0.50 -0.46 0.00 -2.87 0.00 0.00 58.31 54.45 3h45 n LYS 336 Cb 0.63 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.30 3h45 n LYS 336 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h45 n ALA 337 N -0.47 0.41 -0.64 7.82 0.00 -1.16 -4.90 120.51 121.56 3h45 n ALA 337 Ca 0.18 0.43 0.03 0.00 0.00 0.00 0.00 53.44 54.09 3h45 n ALA 337 Cb 0.28 -2.19 0.04 0.00 0.00 0.00 0.00 19.45 17.58 3h45 n ALA 337 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h45 n LYS 338 N 2.02 1.79 -1.37 0.00 4.76 -1.26 -4.99 118.16 119.12 3h45 n LYS 338 Ca 0.13 -1.62 -0.29 0.00 -2.87 0.00 0.00 58.31 53.66 3h45 n LYS 338 Cb 0.29 -1.03 0.18 0.00 -1.84 0.00 0.00 35.03 32.62 3h45 n LYS 338 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3h45 s GLY 339 N -1.40 1.59 -0.01 0.72 0.00 -1.26 -4.89 107.32 102.07 3h45 s GLY 339 Ca 0.09 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.20 3h45 s GLY 339 CO 0.01 0.02 0.97 2.09 0.00 0.00 0.00 173.10 176.19 3h45 n ASP 340 N -4.12 0.96 -3.08 1.64 5.75 -1.26 -4.88 116.55 111.57 3h45 n ASP 340 Ca 0.08 -2.04 -0.23 0.00 -0.01 0.00 0.00 54.79 52.59 3h45 n ASP 340 Cb 0.59 -0.21 0.04 0.00 -1.03 0.00 0.00 41.12 40.50 3h45 n ASP 340 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3h45 n ASN 341 N -0.08 -6.17 -1.12 -1.12 2.85 -1.26 -4.89 115.26 103.46 3h45 n ASN 341 Ca 0.04 -0.31 0.09 0.00 -0.11 0.00 0.00 54.58 54.29 3h45 n ASN 341 Cb 0.19 -4.97 0.27 0.00 1.24 0.00 0.00 39.78 36.50 3h45 n ASN 341 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3h45 n GLU 342 N -4.13 3.06 -3.27 1.20 1.02 -1.26 -4.94 120.64 112.32 3h45 n GLU 342 Ca -0.10 -2.53 -0.39 0.00 -0.02 0.00 0.00 57.16 54.12 3h45 n GLU 342 Cb 0.62 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 3h45 n GLU 342 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h45 s VAL 343 N -1.39 4.89 0.02 2.62 1.01 -1.26 -4.40 120.40 121.88 3h45 s VAL 343 Ca 0.40 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.58 3h45 s VAL 343 Cb 0.24 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3h45 s VAL 343 CO 0.23 0.48 -0.13 -0.31 0.00 0.00 0.00 175.10 175.37 3h45 s TYR 344 N -0.55 1.14 -0.17 5.22 2.02 -0.27 -4.75 117.35 119.99 3h45 s TYR 344 Ca 0.29 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.68 3h45 s TYR 344 Cb -0.18 -0.70 0.05 0.00 -0.40 0.00 0.00 41.96 40.73 3h45 s TYR 344 CO 0.17 0.01 0.01 0.08 -1.57 0.00 0.00 175.55 174.25 3h45 s VAL 345 N -0.62 0.64 -0.71 0.71 1.01 -1.26 -0.67 120.40 119.49 3h45 s VAL 345 Ca 0.02 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 3h45 s VAL 345 Cb -0.07 -1.01 0.19 0.00 0.00 0.00 0.00 36.38 35.49 3h45 s VAL 345 CO 0.00 -0.06 0.60 -0.69 0.00 0.00 0.00 175.10 174.95 3h45 s VAL 346 N 1.82 4.70 -0.62 2.92 1.01 0.38 -4.65 120.40 125.96 3h45 s VAL 346 Ca 0.00 -2.63 -0.06 0.00 0.00 0.00 0.00 61.98 59.30 3h45 s VAL 346 Cb -0.16 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 3h45 s VAL 346 CO -0.07 -0.95 2.46 -0.81 0.00 0.00 0.00 175.10 175.73 3h45 n PRO 347 N 3.84 2.01 -1.70 2.72 -0.04 -1.26 -0.87 135.00 139.69 3h45 n PRO 347 Ca 0.09 -1.22 -0.35 0.00 -0.04 0.00 0.00 63.50 61.98 3h45 n PRO 347 Cb 0.42 -2.23 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 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 3.43 6.86 -0.33 0.55 0.00 -1.26 -4.61 120.51 125.15 3h45 n ALA 348 Ca 0.43 -3.62 0.21 0.00 0.00 0.00 0.00 53.44 50.46 3h45 n ALA 348 Cb 0.36 -2.73 0.47 0.00 0.00 0.00 0.00 19.45 17.55 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 4.25 0.75 0.00 0.00 0.04 -1.86 -1.85 116.94 118.27 3h45 h PHE 349 Ca 0.64 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.40 3h45 h PHE 349 Cb 0.47 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 38.33 3h45 h PHE 349 CO 1.65 0.07 -0.54 0.25 -0.60 0.00 0.00 178.31 179.14 3h45 n THR 350 N -4.68 1.67 0.00 -1.55 -2.24 -1.26 -4.65 114.28 101.57 3h45 n THR 350 Ca 0.25 -2.59 0.00 0.00 -2.27 0.00 0.00 64.05 59.45 3h45 n THR 350 Cb 0.83 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.82 2.56 3.78 3.38 0.00 -0.73 -4.82 105.19 108.54 3h45 n GLY 351 Ca 0.15 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 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 4.54 0.00 0.99 1.43 -0.41 -4.72 118.68 120.51 3h45 s LEU 352 Ca 0.00 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 3h45 s LEU 352 Cb 0.00 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.06 3h45 s LEU 352 CO 0.00 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.37 3h45 n GLY 353 N 1.82 1.07 3.76 -3.19 0.00 -1.26 -1.79 105.19 105.60 3h45 n GLY 353 Ca -0.06 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 3h45 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h45 s ALA 354 N -3.63 3.08 -1.30 4.61 0.00 -0.38 -0.48 121.76 123.66 3h45 s ALA 354 Ca 0.00 1.21 0.11 0.00 0.00 0.00 0.00 51.96 53.28 3h45 s ALA 354 Cb 0.00 -3.49 0.45 0.00 0.00 0.00 0.00 23.12 20.08 3h45 s ALA 354 CO 0.00 -0.95 1.30 -0.35 0.00 0.00 0.00 175.76 175.76 3h45 n PRO 355 N -0.33 2.70 -0.06 0.00 -0.04 -1.26 -4.58 135.00 131.44 3h45 n PRO 355 Ca 0.06 -1.79 -0.13 0.00 -0.04 0.00 0.00 63.50 61.61 3h45 n PRO 355 Cb 0.45 -1.65 -0.12 0.00 -0.04 0.00 0.00 33.50 32.14 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 2.57 -0.01 -6.31 0.54 0.05 -1.06 -3.45 116.97 109.31 3h45 h TYR 356 Ca 0.00 -0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.32 3h45 h TYR 356 Cb 0.99 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.76 3h45 h TYR 356 CO 0.48 0.85 -0.90 0.91 -1.05 0.00 0.00 178.16 178.45 3h45 n TRP 357 N -4.66 -1.81 -3.77 4.88 7.02 0.35 -4.95 117.44 114.51 3h45 n TRP 357 Ca -0.09 0.64 -0.36 0.00 -1.02 0.00 0.00 57.50 56.67 3h45 n TRP 357 Cb 0.42 -3.73 -0.11 0.00 -2.42 0.00 0.00 31.31 25.47 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 -3.98 5.16 0.25 -0.99 -1.08 -0.74 -4.96 116.67 110.33 3h45 s ASP 358 Ca 0.21 -2.47 0.24 0.00 -0.52 0.00 0.00 52.55 50.01 3h45 s ASP 358 Cb -0.07 -1.82 0.95 0.00 -1.46 0.00 0.00 42.92 40.52 3h45 s ASP 358 CO 0.86 -0.44 1.73 -1.54 0.52 0.00 0.00 175.17 176.31 3h45 n SER 359 N 3.99 0.72 0.19 -0.34 3.41 -1.26 -1.29 113.62 119.03 3h45 n SER 359 Ca 0.03 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 3h45 n SER 359 Cb 0.39 -0.81 0.12 0.00 -0.26 0.00 0.00 64.21 63.65 3h45 n SER 359 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3h45 h GLU 360 N 0.00 0.00 -7.22 4.33 4.39 -1.92 -3.38 114.58 110.77 3h45 h GLU 360 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 3h45 h GLU 360 Cb 0.45 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.22 3h45 h GLU 360 CO 0.00 0.02 0.36 0.00 -1.16 0.00 0.00 179.01 178.23 3h45 s ALA 361 N -3.24 2.38 0.18 3.43 0.00 -1.16 -4.91 121.76 118.44 3h45 s ALA 361 Ca 0.05 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.53 3h45 s ALA 361 Cb 0.06 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3h45 s ALA 361 CO 0.70 -1.45 0.05 1.03 0.00 0.00 0.00 175.76 176.09 3h45 s ARG 362 N -4.27 1.12 0.29 0.00 1.81 -1.24 -2.87 118.95 113.79 3h45 s ARG 362 Ca 0.66 -1.56 -0.29 0.00 -1.72 0.00 0.00 55.73 52.82 3h45 s ARG 362 Cb -0.20 -0.07 -0.13 0.00 -0.45 0.00 0.00 34.95 34.10 3h45 s ARG 362 CO 0.45 -0.22 1.20 0.41 -0.68 0.00 0.00 175.30 176.46 3h45 n GLY 363 N -0.24 0.27 3.22 -3.53 0.00 -1.01 -4.41 105.19 99.48 3h45 n GLY 363 Ca -0.04 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.82 0.07 0.03 4.61 0.00 -0.05 -4.88 121.76 120.71 3h45 s ALA 364 Ca 0.60 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3h45 s ALA 364 Cb -0.65 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3h45 s ALA 364 CO 0.58 -0.52 -0.05 0.08 0.00 0.00 0.00 175.76 175.84 3h45 s VAL 365 N -3.92 0.35 0.12 0.00 1.01 -1.26 -0.47 120.40 116.23 3h45 s VAL 365 Ca 0.11 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3h45 s VAL 365 Cb 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 3h45 s VAL 365 CO -0.06 -0.33 0.19 -0.36 0.00 0.00 0.00 175.10 174.53 3h45 s PHE 366 N -1.14 0.42 -0.76 5.22 0.08 0.15 -4.92 117.98 117.03 3h45 s PHE 366 Ca -0.10 -0.82 0.00 0.00 0.12 0.00 0.00 56.93 56.13 3h45 s PHE 366 Cb -0.08 -0.16 0.00 0.00 -0.57 0.00 0.00 43.02 42.20 3h45 s PHE 366 CO -0.00 -0.60 0.00 0.41 -0.10 0.00 0.00 175.22 174.93 3h45 n GLY 367 N -0.12 0.61 3.72 4.36 0.00 -1.26 -1.12 105.19 111.38 3h45 n GLY 367 Ca -0.10 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.94 4.41 0.27 0.99 1.43 -1.26 -4.41 118.68 118.17 3h45 s LEU 368 Ca 0.00 1.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.88 3h45 s LEU 368 Cb 0.00 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 3h45 s LEU 368 CO 0.00 -0.23 0.10 0.42 0.23 0.00 0.00 176.35 176.87 3h45 s THR 369 N 0.67 0.58 -1.17 5.49 -4.23 -1.26 -5.04 115.64 110.69 3h45 s THR 369 Ca 0.51 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.14 3h45 s THR 369 Cb -0.23 -2.64 0.14 0.00 1.34 0.00 0.00 72.50 71.11 3h45 s THR 369 CO 0.29 0.00 1.33 -2.11 -0.54 0.00 0.00 174.62 173.59 3h45 n ARG 370 N -0.49 0.07 0.00 3.99 -4.01 -1.26 -1.69 116.66 113.27 3h45 n ARG 370 Ca -0.00 0.25 0.13 0.00 -1.04 0.00 0.00 57.85 57.19 3h45 n ARG 370 Cb 0.66 -1.50 0.35 0.00 -3.04 0.00 0.00 32.46 28.93 3h45 n ARG 370 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3h45 n GLY 371 N -0.31 0.20 3.67 2.89 0.00 -1.26 -4.90 105.19 105.49 3h45 n GLY 371 Ca 0.04 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.10 3.88 0.53 2.61 2.01 -0.68 -4.92 115.64 116.96 3h45 s THR 372 Ca 0.32 1.15 0.07 0.00 0.31 0.00 0.00 61.69 63.53 3h45 s THR 372 Cb 0.20 -3.74 0.07 0.00 0.01 0.00 0.00 72.50 69.04 3h45 s THR 372 CO 0.37 -0.06 0.55 0.35 -0.69 0.00 0.00 174.62 175.14 3h45 n THR 373 N 5.11 0.00 -0.20 -0.82 -2.24 -1.26 -4.99 114.28 109.88 3h45 n THR 373 Ca 0.14 -1.93 -0.08 0.00 -2.27 0.00 0.00 64.05 59.91 3h45 n THR 373 Cb 0.44 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.41 3h45 n THR 373 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3h45 h LYS 374 N 0.00 0.87 0.08 -0.78 3.64 -1.99 -1.77 116.57 116.62 3h45 h LYS 374 Ca -0.29 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 3h45 h LYS 374 Cb 1.18 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3h45 h LYS 374 CO 0.44 0.77 -0.23 0.93 -2.27 0.00 0.00 179.45 179.09 3h45 h GLU 375 N 0.79 -0.40 -0.60 1.90 3.07 -1.96 0.54 114.58 117.94 3h45 h GLU 375 Ca 0.19 0.03 0.12 0.00 -0.50 0.00 0.00 59.36 59.19 3h45 h GLU 375 Cb 0.25 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 3h45 h GLU 375 CO -0.01 -0.26 0.40 -0.44 -1.40 0.00 0.00 179.01 177.30 3h45 h ASP 376 N -0.41 0.29 -0.01 1.42 3.32 -1.84 0.22 116.42 119.40 3h45 h ASP 376 Ca 0.04 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3h45 h ASP 376 Cb 0.45 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3h45 h ASP 376 CO -0.16 0.17 -0.10 0.15 -1.72 0.00 0.00 179.24 177.58 3h45 h PHE 377 N 0.32 0.13 -0.34 4.55 3.57 -0.37 -2.09 116.94 122.71 3h45 h PHE 377 Ca 0.28 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.76 3h45 h PHE 377 Cb 0.68 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 3h45 h PHE 377 CO -0.00 0.77 0.11 0.28 -2.23 0.00 0.00 178.31 177.25 3h45 h VAL 378 N -0.56 0.89 -0.60 1.41 2.07 -0.55 -1.27 116.25 117.65 3h45 h VAL 378 Ca -0.01 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.53 3h45 h VAL 378 Cb 0.79 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 3h45 h VAL 378 CO 0.02 0.05 0.18 -0.09 0.02 0.00 0.00 177.57 177.74 3h45 h ARG 379 N 0.25 0.32 0.00 1.57 1.12 -1.00 -0.19 114.38 116.45 3h45 h ARG 379 Ca 0.16 -0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 58.92 3h45 h ARG 379 Cb 0.13 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.01 3h45 h ARG 379 CO -0.17 0.21 -0.40 0.00 -3.11 0.00 0.00 179.97 176.51 3h45 h ALA 380 N 1.44 1.34 0.00 2.80 0.00 -0.90 -1.83 119.26 122.11 3h45 h ALA 380 Ca 0.31 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h45 h ALA 380 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3h45 h ALA 380 CO -0.35 0.50 -0.00 1.15 0.00 0.00 0.00 179.25 180.55 3h45 h THR 381 N 0.00 1.39 -0.58 0.00 2.02 0.07 -2.99 112.91 112.82 3h45 h THR 381 Ca -0.00 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.06 3h45 h THR 381 Cb 0.71 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 3h45 h THR 381 CO 0.05 0.29 0.36 -0.07 0.37 0.00 0.00 175.52 176.53 3h45 h LEU 382 N -0.48 0.60 -1.98 2.58 3.38 -1.02 -2.31 115.31 116.08 3h45 h LEU 382 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3h45 h LEU 382 Cb 0.48 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3h45 h LEU 382 CO 0.00 0.43 -0.09 1.56 0.09 0.00 0.00 178.44 180.43 3h45 h GLN 383 N 0.73 0.00 -0.83 1.13 4.20 -1.40 -3.01 115.11 115.93 3h45 h GLN 383 Ca 0.23 0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.13 3h45 h GLN 383 Cb -0.02 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.64 3h45 h GLN 383 CO -0.08 0.09 0.29 0.00 -0.67 0.00 0.00 178.83 178.46 3h45 h ALA 384 N 1.91 1.22 -0.57 3.87 0.00 -1.25 -0.31 119.26 124.13 3h45 h ALA 384 Ca -0.00 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3h45 h ALA 384 Cb 0.31 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3h45 h ALA 384 CO 0.01 -0.34 0.19 -0.24 0.00 0.00 0.00 179.25 178.88 3h45 h VAL 385 N 0.34 1.21 -0.38 0.00 3.04 -1.69 -2.69 116.25 116.08 3h45 h VAL 385 Ca 0.50 -0.71 -0.13 0.00 -1.01 0.00 0.00 66.70 65.34 3h45 h VAL 385 Cb 0.91 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 3h45 h VAL 385 CO -0.53 0.28 -0.28 0.00 -1.01 0.00 0.00 177.57 176.03 3h45 h ALA 386 N 1.39 0.79 0.28 3.17 0.00 -1.25 -2.35 119.26 121.29 3h45 h ALA 386 Ca 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3h45 h ALA 386 Cb 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h45 h ALA 386 CO -0.01 0.65 -0.13 1.88 0.00 0.00 0.00 179.25 181.63 3h45 h TYR 387 N 0.69 -0.35 0.00 0.00 0.05 -1.15 -2.34 116.97 113.87 3h45 h TYR 387 Ca 0.08 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 3h45 h TYR 387 Cb 0.82 0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.67 3h45 h TYR 387 CO 0.04 -0.09 -0.16 0.37 -1.05 0.00 0.00 178.16 177.27 3h45 h GLN 388 N -0.56 0.00 -0.54 4.88 4.15 -1.52 -0.64 115.11 120.88 3h45 h GLN 388 Ca -0.04 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 3h45 h GLN 388 Cb 0.41 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 3h45 h GLN 388 CO 0.06 0.16 0.09 0.77 -1.93 0.00 0.00 178.83 177.98 3h45 h SER 389 N 0.00 0.80 -0.57 -0.69 0.02 -1.17 0.75 113.55 112.68 3h45 h SER 389 Ca -0.00 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 3h45 h SER 389 Cb 0.41 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3h45 h SER 389 CO 0.02 0.81 0.01 0.50 -1.14 0.00 0.00 176.83 177.04 3h45 h LYS 390 N 0.81 1.00 -0.63 3.45 3.64 -0.60 0.24 116.57 124.47 3h45 h LYS 390 Ca 0.17 -0.31 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3h45 h LYS 390 Cb 0.36 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3h45 h LYS 390 CO 0.01 0.99 0.41 -0.44 -2.27 0.00 0.00 179.45 178.15 3h45 h ASP 391 N 0.89 0.70 0.16 4.20 3.32 -0.47 0.37 116.42 125.58 3h45 h ASP 391 Ca 0.16 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3h45 h ASP 391 Cb 0.53 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3h45 h ASP 391 CO 0.03 0.50 -0.08 0.58 -1.72 0.00 0.00 179.24 178.55 3h45 h VAL 392 N 0.83 0.95 -0.41 -1.35 2.07 -0.55 -1.95 116.25 115.83 3h45 h VAL 392 Ca 0.24 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3h45 h VAL 392 Cb -0.06 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3h45 h VAL 392 CO -0.07 0.12 0.24 0.40 0.02 0.00 0.00 177.57 178.28 3h45 h ILE 393 N -0.45 1.14 -0.70 4.57 2.04 -0.24 0.13 117.51 124.00 3h45 h ILE 393 Ca -0.02 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.58 3h45 h ILE 393 Cb 0.35 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3h45 h ILE 393 CO 0.04 0.14 0.46 0.44 0.00 0.00 0.00 178.15 179.22 3h45 h ASP 394 N 0.54 0.61 -0.20 1.72 3.32 -0.27 0.44 116.42 122.59 3h45 h ASP 394 Ca 0.15 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 3h45 h ASP 394 Cb 0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3h45 h ASP 394 CO -0.03 0.39 -0.30 0.74 -1.72 0.00 0.00 179.24 178.32 3h45 h THR 395 N 0.69 1.28 0.26 0.35 2.02 -0.46 -1.72 112.91 115.33 3h45 h THR 395 Ca 0.30 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 3h45 h THR 395 Cb 0.30 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3h45 h THR 395 CO -0.10 0.47 -0.12 0.24 0.37 0.00 0.00 175.52 176.37 3h45 h MET 396 N 0.59 -0.33 -0.27 6.66 2.86 0.12 0.14 114.93 124.69 3h45 h MET 396 Ca 0.07 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.79 3h45 h MET 396 Cb 0.81 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 32.47 3h45 h MET 396 CO 0.07 -0.03 -0.41 0.87 1.06 0.00 0.00 176.91 178.47 3h45 h LYS 397 N -0.65 -0.38 -0.04 1.72 1.57 -0.98 0.49 116.57 118.31 3h45 h LYS 397 Ca -0.04 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3h45 h LYS 397 Cb 0.46 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 3h45 h LYS 397 CO 0.06 -0.25 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.21 3h45 h LYS 398 N -0.39 -0.36 -0.11 3.15 3.64 -1.27 0.30 116.57 121.53 3h45 h LYS 398 Ca 0.11 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3h45 h LYS 398 Cb 0.59 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3h45 h LYS 398 CO -0.48 -0.24 0.04 -0.44 -2.27 0.00 0.00 179.45 176.06 3h45 h ASP 399 N -0.37 0.06 0.12 4.20 3.32 0.10 -3.36 116.42 120.49 3h45 h ASP 399 Ca 0.07 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3h45 h ASP 399 Cb 0.47 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3h45 h ASP 399 CO -0.25 0.05 -0.06 0.28 -1.72 0.00 0.00 179.24 177.54 3h45 h SER 400 N 0.10 -0.14 0.00 6.45 0.02 0.14 -3.43 113.55 116.69 3h45 h SER 400 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3h45 h SER 400 Cb 0.02 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3h45 h SER 400 CO -0.04 0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.49 3h45 n GLY 401 N 1.31 1.09 3.58 -3.77 0.00 0.10 -5.01 105.19 102.49 3h45 n GLY 401 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.09 4.04 0.03 -0.61 1.01 -1.26 -4.96 121.20 117.36 3h45 s ILE 402 Ca 0.00 -1.67 -0.39 0.00 0.00 0.00 0.00 60.65 58.59 3h45 s ILE 402 Cb 0.00 -5.11 -0.19 0.00 0.01 0.00 0.00 42.46 37.17 3h45 s ILE 402 CO 0.00 -1.91 1.19 -0.67 0.00 0.00 0.00 174.94 173.55 3h45 n ASP 403 N 9.07 0.70 -4.43 3.58 -0.08 -1.26 -4.78 116.55 119.35 3h45 n ASP 403 Ca 0.47 1.14 -0.44 0.00 -1.51 0.00 0.00 54.79 54.45 3h45 n ASP 403 Cb 0.47 -1.03 -0.07 0.00 2.34 0.00 0.00 41.12 42.82 3h45 n ASP 403 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3h45 s ILE 404 N 0.22 5.02 -1.55 5.18 1.01 -1.26 -4.91 121.20 124.92 3h45 s ILE 404 Ca 0.88 -0.64 0.24 0.00 0.00 0.00 0.00 60.65 61.13 3h45 s ILE 404 Cb -1.14 -4.20 0.05 0.00 0.01 0.00 0.00 42.46 37.19 3h45 s ILE 404 CO 0.53 -0.67 1.29 -0.81 0.00 0.00 0.00 174.94 175.28 3h45 n PRO 405 N 5.78 0.62 -3.70 2.79 -0.04 -1.26 -4.94 135.00 134.25 3h45 n PRO 405 Ca -0.08 -0.44 -0.14 0.00 -0.04 0.00 0.00 63.50 62.80 3h45 n PRO 405 Cb 0.45 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 3h45 n PRO 405 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h45 s LEU 406 N -2.68 0.10 -0.09 1.53 2.96 -1.26 -3.47 118.68 115.77 3h45 s LEU 406 Ca 0.17 0.93 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 3h45 s LEU 406 Cb 0.18 1.72 0.02 0.00 0.50 0.00 0.00 46.19 48.61 3h45 s LEU 406 CO 0.63 -0.21 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.11 3h45 s LEU 407 N 0.09 1.56 0.12 -0.68 2.96 -0.71 -4.65 118.68 117.38 3h45 s LEU 407 Ca -0.01 -0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 53.38 3h45 s LEU 407 Cb -0.03 -0.93 -0.07 0.00 0.50 0.00 0.00 46.19 45.66 3h45 s LEU 407 CO 0.01 -0.01 0.57 -0.54 -1.32 0.00 0.00 176.35 175.06 3h45 s LYS 408 N 1.05 4.08 0.04 1.98 1.02 -0.47 -0.99 119.74 126.45 3h45 s LYS 408 Ca -0.07 0.61 0.01 0.00 0.02 0.00 0.00 55.97 56.54 3h45 s LYS 408 Cb -0.15 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 3h45 s LYS 408 CO -0.01 0.53 -0.06 0.14 -0.92 0.00 0.00 175.35 175.03 3h45 s VAL 409 N -1.34 0.41 0.35 3.17 -7.23 -0.77 -0.75 120.40 114.25 3h45 s VAL 409 Ca 0.35 -1.09 -0.16 0.00 -1.81 0.00 0.00 61.98 59.27 3h45 s VAL 409 Cb -0.17 -0.58 0.04 0.00 0.56 0.00 0.00 36.38 36.24 3h45 s VAL 409 CO 0.19 -0.46 0.74 1.51 -0.31 0.00 0.00 175.10 176.78 3h45 s ASP 410 N -1.65 0.01 0.00 4.85 1.47 -0.89 -1.62 116.67 118.84 3h45 s ASP 410 Ca -0.10 -1.04 0.00 0.00 1.18 0.00 0.00 52.55 52.58 3h45 s ASP 410 Cb -0.09 0.80 0.00 0.00 -0.34 0.00 0.00 42.92 43.30 3h45 s ASP 410 CO -0.01 -1.57 0.00 0.61 0.68 0.00 0.00 175.17 174.88 3h45 n GLY 411 N -0.51 2.70 0.40 2.12 0.00 -1.26 -0.74 105.19 107.90 3h45 n GLY 411 Ca -0.07 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.57 1.69 -0.02 0.00 -1.75 -0.70 103.07 101.72 3h45 h GLY 412 Ca 0.00 0.61 0.04 0.00 0.00 0.00 0.00 47.33 47.97 3h45 h GLY 412 CO 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 176.54 176.52 3h45 h ALA 413 N 0.52 1.80 0.00 3.60 0.00 -1.86 -1.73 119.26 121.59 3h45 h ALA 413 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h45 h ALA 413 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3h45 h ALA 413 CO -0.70 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.36 3h45 h ALA 414 N 1.87 1.00 0.00 0.00 0.00 -1.35 -0.98 119.26 119.80 3h45 h ALA 414 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h45 h ALA 414 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3h45 h ALA 414 CO -0.00 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.61 3h45 n LYS 415 N -2.44 0.96 -3.41 0.00 2.85 -0.65 -4.56 118.16 110.91 3h45 n LYS 415 Ca -0.02 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.81 3h45 n LYS 415 Cb 0.06 -1.18 -0.06 0.00 -0.65 0.00 0.00 35.03 33.19 3h45 n LYS 415 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3h45 s ASN 416 N -1.39 6.00 0.15 -5.58 3.04 -0.38 -4.96 114.94 111.82 3h45 s ASN 416 Ca 0.17 -1.88 -0.21 0.00 0.04 0.00 0.00 52.86 50.98 3h45 s ASN 416 Cb 0.08 -2.13 0.05 0.00 -1.54 0.00 0.00 41.25 37.71 3h45 s ASN 416 CO 0.13 -0.78 1.64 0.44 -3.04 0.00 0.00 177.10 175.49 3h45 h ASP 417 N 8.66 -0.69 -0.79 -4.21 3.45 -1.88 -0.97 116.42 119.99 3h45 h ASP 417 Ca -0.25 0.14 0.15 0.00 0.43 0.00 0.00 57.03 57.50 3h45 h ASP 417 Cb 1.09 0.34 -0.10 0.00 -0.56 0.00 0.00 39.33 40.10 3h45 h ASP 417 CO 0.96 -0.25 0.34 -0.07 -1.57 0.00 0.00 179.24 178.65 3h45 h LEU 418 N -0.19 0.35 -0.39 1.55 3.38 -1.97 0.37 115.31 118.41 3h45 h LEU 418 Ca 0.15 0.11 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 3h45 h LEU 418 Cb 0.43 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3h45 h LEU 418 CO -0.40 0.13 -0.40 0.25 0.09 0.00 0.00 178.44 178.11 3h45 h LEU 419 N 0.49 1.01 -0.67 1.67 5.85 -1.70 -2.01 115.31 119.94 3h45 h LEU 419 Ca 0.44 -0.47 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 3h45 h LEU 419 Cb 0.67 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3h45 h LEU 419 CO -0.40 1.27 -0.26 0.24 -0.34 0.00 0.00 178.44 178.95 3h45 h MET 420 N 0.76 0.76 -0.73 1.25 2.86 -0.25 0.17 114.93 119.75 3h45 h MET 420 Ca 0.06 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 3h45 h MET 420 Cb 1.00 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 3h45 h MET 420 CO 0.10 0.93 0.33 0.37 1.06 0.00 0.00 176.91 179.70 3h45 h GLN 421 N 0.65 1.05 -0.22 1.72 5.75 -0.18 0.11 115.11 123.99 3h45 h GLN 421 Ca 0.08 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 3h45 h GLN 421 Cb 0.78 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 3h45 h GLN 421 CO 0.06 0.82 0.01 0.35 -2.65 0.00 0.00 178.83 177.42 3h45 h PHE 422 N 1.04 0.41 -0.50 3.99 3.57 -1.01 0.31 116.94 124.74 3h45 h PHE 422 Ca 0.25 -0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.77 3h45 h PHE 422 Cb 0.13 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 3h45 h PHE 422 CO 0.01 0.56 0.09 0.37 -2.23 0.00 0.00 178.31 177.11 3h45 h GLN 423 N 0.15 0.21 -0.42 1.11 5.75 -0.16 0.23 115.11 121.99 3h45 h GLN 423 Ca 0.06 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.44 3h45 h GLN 423 Cb 0.39 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3h45 h GLN 423 CO 0.01 0.14 -0.16 0.00 -2.65 0.00 0.00 178.83 176.17 3h45 h ALA 424 N 1.39 0.58 -0.00 3.38 0.00 -0.52 -1.20 119.26 122.90 3h45 h ALA 424 Ca 0.25 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h45 h ALA 424 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h45 h ALA 424 CO -0.34 0.51 0.00 -0.44 0.00 0.00 0.00 179.25 178.99 3h45 h ASP 425 N 0.67 0.00 -0.49 0.00 3.32 0.47 0.14 116.42 120.53 3h45 h ASP 425 Ca 0.10 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3h45 h ASP 425 Cb 0.71 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3h45 h ASP 425 CO 0.05 0.06 0.23 0.40 -1.72 0.00 0.00 179.24 178.27 3h45 h ILE 426 N -0.05 1.19 -0.10 0.35 1.08 -0.55 -2.79 117.51 116.63 3h45 h ILE 426 Ca 0.00 -0.54 -0.11 0.00 -0.39 0.00 0.00 64.86 63.82 3h45 h ILE 426 Cb 0.06 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 3h45 h ILE 426 CO -0.00 0.21 -0.44 -0.07 -0.69 0.00 0.00 178.15 177.16 3h45 h LEU 427 N 0.64 0.25 -0.96 1.44 3.38 -1.14 -3.47 115.31 115.47 3h45 h LEU 427 Ca 0.17 -0.11 -0.30 0.00 0.09 0.00 0.00 57.88 57.73 3h45 h LEU 427 Cb 0.12 -0.07 0.11 0.00 0.09 0.00 0.00 40.66 40.91 3h45 h LEU 427 CO -0.02 0.67 -0.52 -0.67 0.09 0.00 0.00 178.44 177.98 3h45 n ASP 428 N -4.00 -5.08 -3.81 -0.43 2.03 0.48 -5.01 116.55 100.72 3h45 n ASP 428 Ca -0.02 -0.42 -0.10 0.00 0.52 0.00 0.00 54.79 54.78 3h45 n ASP 428 Cb 0.50 -3.96 -0.07 0.00 -0.72 0.00 0.00 41.12 36.87 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 -3.25 0.12 0.56 5.18 -4.36 -1.20 -5.00 121.20 113.25 3h45 s ILE 429 Ca 0.41 -0.99 -0.19 0.00 -0.26 0.00 0.00 60.65 59.62 3h45 s ILE 429 Cb -0.18 -1.19 -0.05 0.00 1.25 0.00 0.00 42.46 42.29 3h45 s ILE 429 CO 0.56 -0.55 1.14 -1.81 0.24 0.00 0.00 174.94 174.52 3h45 s ASP 430 N -2.60 5.61 -0.07 4.36 1.11 -1.23 -4.55 116.67 119.31 3h45 s ASP 430 Ca 0.02 2.19 0.00 0.00 0.18 0.00 0.00 52.55 54.93 3h45 s ASP 430 Cb 0.03 -2.58 0.02 0.00 1.07 0.00 0.00 42.92 41.46 3h45 s ASP 430 CO -0.09 -1.29 -0.04 -0.69 1.18 0.00 0.00 175.17 174.24 3h45 s VAL 431 N -1.79 0.61 -0.22 -1.27 1.01 -0.87 -1.74 120.40 116.13 3h45 s VAL 431 Ca 0.73 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.63 3h45 s VAL 431 Cb -0.24 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.51 3h45 s VAL 431 CO 0.29 0.27 -0.12 -1.58 0.00 0.00 0.00 175.10 173.95 3h45 s GLN 432 N 1.37 2.28 0.22 2.72 0.74 -0.16 0.04 119.66 126.87 3h45 s GLN 432 Ca -0.04 -1.02 -0.30 0.00 0.05 0.00 0.00 55.36 54.05 3h45 s GLN 432 Cb -0.13 -2.62 -0.08 0.00 1.10 0.00 0.00 33.01 31.27 3h45 s GLN 432 CO -0.03 -0.44 1.12 0.50 -0.55 0.00 0.00 175.29 175.90 3h45 s ARG 433 N 1.27 4.59 0.74 1.67 3.52 -0.86 -1.84 118.95 128.03 3h45 s ARG 433 Ca -0.03 1.79 -0.15 0.00 -0.13 0.00 0.00 55.73 57.22 3h45 s ARG 433 Cb -0.17 -3.23 0.04 0.00 -1.56 0.00 0.00 34.95 30.03 3h45 s ARG 433 CO -0.08 0.09 1.20 0.00 -0.81 0.00 0.00 175.30 175.70 3h45 s ALA 434 N -0.57 2.10 -0.00 6.12 0.00 -0.64 -4.16 121.76 124.62 3h45 s ALA 434 Ca 0.48 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 53.06 3h45 s ALA 434 Cb -0.31 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.20 3h45 s ALA 434 CO 0.38 -1.90 1.06 0.00 0.00 0.00 0.00 175.76 175.31 3h45 h ALA 435 N -0.35 -0.61 -2.18 0.00 0.00 -1.93 -3.42 119.26 110.78 3h45 h ALA 435 Ca -0.47 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 53.69 3h45 h ALA 435 Cb 1.29 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 3h45 h ALA 435 CO 0.49 -0.65 0.89 1.21 0.00 0.00 0.00 179.25 181.19 3h45 s ASN 436 N -4.86 6.94 0.12 0.00 3.84 -1.26 -4.93 114.94 114.78 3h45 s ASN 436 Ca -0.13 1.74 -0.25 0.00 0.21 0.00 0.00 52.86 54.43 3h45 s ASN 436 Cb 0.02 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.11 3h45 s ASN 436 CO 0.45 -0.75 1.66 -0.07 -2.79 0.00 0.00 177.10 175.59 3h45 h LEU 437 N 9.55 -0.58 -7.58 3.21 3.38 -2.01 -3.30 115.31 117.99 3h45 h LEU 437 Ca -0.28 0.08 -0.73 0.00 0.09 0.00 0.00 57.88 57.04 3h45 h LEU 437 Cb 1.11 0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.95 3h45 h LEU 437 CO 0.96 -0.27 1.65 -0.62 0.09 0.00 0.00 178.44 180.24 3h45 n GLU 438 N -5.33 3.35 0.14 1.13 1.02 -1.26 -4.18 120.64 115.51 3h45 n GLU 438 Ca -0.05 -3.67 0.13 0.00 -0.02 0.00 0.00 57.16 53.54 3h45 n GLU 438 Cb 0.24 -3.13 0.32 0.00 -0.02 0.00 0.00 31.44 28.85 3h45 n GLU 438 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3h45 h THR 439 N 4.72 0.00 -0.08 2.62 1.35 -1.95 -3.24 112.91 116.33 3h45 h THR 439 Ca 0.36 -0.66 -0.05 0.00 -0.55 0.00 0.00 66.41 65.51 3h45 h THR 439 Cb 0.84 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3h45 h THR 439 CO 1.34 0.00 -0.15 0.74 -0.25 0.00 0.00 175.52 177.20 3h45 h THR 440 N 0.00 1.40 0.00 6.82 2.02 -1.86 -2.49 112.91 118.80 3h45 h THR 440 Ca 0.00 -1.43 -0.06 0.00 0.77 0.00 0.00 66.41 65.69 3h45 h THR 440 Cb 0.83 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.36 3h45 h THR 440 CO 0.00 0.40 -0.29 0.00 0.37 0.00 0.00 175.52 176.00 3h45 h ALA 441 N 0.51 1.45 -0.44 6.16 0.00 -1.92 -2.66 119.26 122.36 3h45 h ALA 441 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3h45 h ALA 441 Cb 0.72 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3h45 h ALA 441 CO 0.03 0.36 0.06 1.25 0.00 0.00 0.00 179.25 180.96 3h45 h LEU 442 N 0.00 0.72 -0.73 0.00 5.85 -1.56 -0.21 115.31 119.38 3h45 h LEU 442 Ca -0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3h45 h LEU 442 Cb 0.53 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3h45 h LEU 442 CO 0.04 0.81 0.46 1.23 -0.34 0.00 0.00 178.44 180.64 3h45 h GLY 443 N 0.60 1.05 1.03 3.75 0.00 -1.11 0.31 103.07 108.69 3h45 h GLY 443 Ca 0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3h45 h GLY 443 CO 0.01 0.40 0.50 0.00 0.00 0.00 0.00 176.54 177.46 3h45 h ALA 444 N 1.25 1.16 -0.20 3.60 0.00 -1.20 -1.90 119.26 121.97 3h45 h ALA 444 Ca 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3h45 h ALA 444 Cb -0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3h45 h ALA 444 CO -0.05 0.66 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 3h45 h ALA 445 N 1.27 0.28 0.38 0.00 0.00 -0.17 -2.73 119.26 118.29 3h45 h ALA 445 Ca 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h45 h ALA 445 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3h45 h ALA 445 CO -0.05 0.07 -0.47 1.88 0.00 0.00 0.00 179.25 180.67 3h45 h TYR 446 N 0.11 -1.32 -0.79 0.00 0.05 -0.11 0.46 116.97 115.36 3h45 h TYR 446 Ca 0.05 0.02 0.16 0.00 0.05 0.00 0.00 58.73 59.00 3h45 h TYR 446 Cb 0.52 0.53 -0.10 0.00 1.01 0.00 0.00 36.73 38.68 3h45 h TYR 446 CO 0.05 -0.62 0.31 -0.07 -1.05 0.00 0.00 178.16 176.79 3h45 h LEU 447 N -0.89 0.28 -0.32 3.88 3.38 -1.42 0.38 115.31 120.60 3h45 h LEU 447 Ca -0.04 0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3h45 h LEU 447 Cb 0.81 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3h45 h LEU 447 CO -0.12 0.08 -0.28 0.00 0.09 0.00 0.00 178.44 178.21 3h45 h ALA 448 N 1.59 0.46 -0.02 1.53 0.00 -1.12 -2.82 119.26 118.88 3h45 h ALA 448 Ca 0.45 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h45 h ALA 448 Cb 0.72 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3h45 h ALA 448 CO -0.44 0.47 0.01 0.78 0.00 0.00 0.00 179.25 180.08 3h45 h GLY 449 N 0.52 0.03 0.16 0.00 0.00 0.13 -2.32 103.07 101.58 3h45 h GLY 449 Ca 0.06 -0.01 0.17 0.00 0.00 0.00 0.00 47.33 47.54 3h45 h GLY 449 CO 0.07 0.01 0.53 1.41 0.00 0.00 0.00 176.54 178.56 3h45 h LEU 450 N -0.00 0.66 0.13 3.11 3.38 -0.28 0.32 115.31 122.63 3h45 h LEU 450 Ca 0.01 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3h45 h LEU 450 Cb 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3h45 h LEU 450 CO -0.00 0.24 -0.06 0.00 0.09 0.00 0.00 178.44 178.71 3h45 h ALA 451 N 1.61 -0.18 -0.03 1.53 0.00 -1.20 -2.80 119.26 118.19 3h45 h ALA 451 Ca 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3h45 h ALA 451 Cb 0.79 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3h45 h ALA 451 CO -0.38 -0.47 0.00 1.33 0.00 0.00 0.00 179.25 179.73 3h45 n VAL 452 N -5.05 0.04 -1.37 0.00 0.24 -0.91 -4.90 118.33 106.39 3h45 n VAL 452 Ca -0.09 -0.08 -0.02 0.00 -2.04 0.00 0.00 64.34 62.11 3h45 n VAL 452 Cb 0.20 -0.16 -0.01 0.00 -1.47 0.00 0.00 33.84 32.40 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 0.93 0.45 0.27 7.63 0.00 0.68 -4.91 105.19 110.23 3h45 n GLY 453 Ca 0.17 -0.94 0.03 0.00 0.00 0.00 0.00 46.02 45.28 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 0.33 -4.13 1.61 3.57 -0.80 -3.40 116.94 114.11 3h45 h PHE 454 Ca -0.04 -0.02 -0.51 0.00 3.53 0.00 0.00 57.97 60.93 3h45 h PHE 454 Cb 0.41 -0.10 -0.30 0.00 2.79 0.00 0.00 35.95 38.75 3h45 h PHE 454 CO 0.05 0.32 -0.82 -1.58 -2.23 0.00 0.00 178.31 174.05 3h45 s TRP 455 N -5.04 1.42 0.12 0.41 0.51 -1.24 -5.00 118.94 110.11 3h45 s TRP 455 Ca -0.06 -0.31 -0.27 0.00 -2.12 0.00 0.00 56.10 53.33 3h45 s TRP 455 Cb 0.16 -0.93 -0.07 0.00 -0.81 0.00 0.00 33.47 31.82 3h45 s TRP 455 CO 0.73 -0.06 1.62 -0.22 -0.51 0.00 0.00 176.95 178.51 3h45 h LYS 456 N 5.93 -0.47 0.00 4.98 3.64 -1.93 -3.40 116.57 125.32 3h45 h LYS 456 Ca -0.35 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.15 3h45 h LYS 456 Cb 1.16 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3h45 h LYS 456 CO 0.48 -0.32 0.28 -0.40 -2.27 0.00 0.00 179.45 177.23 3h45 n ASP 457 N -5.40 -0.67 -0.19 4.20 3.85 -1.26 -5.01 116.55 112.07 3h45 n ASP 457 Ca -0.06 -1.31 -0.05 0.00 -0.71 0.00 0.00 54.79 52.66 3h45 n ASP 457 Cb 0.31 1.07 0.01 0.00 -1.35 0.00 0.00 41.12 41.16 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 -1.13 -1.07 -2.12 4.07 -2.00 -0.51 115.31 112.55 3h45 h LEU 458 Ca -0.11 0.22 0.15 0.00 0.08 0.00 0.00 57.88 58.23 3h45 h LEU 458 Cb 0.49 0.56 -0.09 0.00 1.08 0.00 0.00 40.66 42.70 3h45 h LEU 458 CO 0.15 -0.30 0.62 0.44 -1.08 0.00 0.00 178.44 178.26 3h45 h ASP 459 N -0.17 0.82 0.01 -0.43 5.19 -1.99 0.52 116.42 120.37 3h45 h ASP 459 Ca 0.23 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 3h45 h ASP 459 Cb 0.55 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 3h45 h ASP 459 CO -0.66 0.38 -0.01 -0.08 -3.12 0.00 0.00 179.24 175.75 3h45 h GLU 460 N 0.85 0.00 -0.05 3.56 4.81 -1.50 -1.76 114.58 120.48 3h45 h GLU 460 Ca 0.52 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.68 3h45 h GLU 460 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3h45 h GLU 460 CO -0.30 0.01 -0.24 -0.07 -0.73 0.00 0.00 179.01 177.69 3h45 h LEU 461 N 0.00 0.30 -2.45 1.64 3.38 0.24 -2.94 115.31 115.48 3h45 h LEU 461 Ca -0.00 -0.65 0.02 0.00 0.09 0.00 0.00 57.88 57.33 3h45 h LEU 461 Cb 0.02 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3h45 h LEU 461 CO 0.00 0.90 0.15 0.11 0.09 0.00 0.00 178.44 179.70 3h45 h LYS 462 N -0.29 0.00 0.92 1.13 1.57 -0.49 -1.79 116.57 117.63 3h45 h LYS 462 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3h45 h LYS 462 Cb 0.89 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.21 3h45 h LYS 462 CO 0.05 0.00 -0.44 0.77 -0.57 0.00 0.00 179.45 179.26 3h45 h SER 463 N 0.00 -1.05 0.00 0.86 0.02 -1.16 -2.50 113.55 109.72 3h45 h SER 463 Ca 0.03 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3h45 h SER 463 Cb 0.34 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3h45 h SER 463 CO -0.00 -0.75 0.11 0.23 -1.14 0.00 0.00 176.83 175.27 3h45 n MET 464 N -5.34 0.02 -1.59 3.45 2.81 -0.68 -4.74 117.12 111.06 3h45 n MET 464 Ca -0.15 0.44 -0.51 0.00 -1.81 0.00 0.00 57.70 55.67 3h45 n MET 464 Cb 0.49 -1.69 -0.05 0.00 -0.71 0.00 0.00 33.22 31.26 3h45 n MET 464 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h45 n ALA 465 N -1.46 -0.82 -0.01 3.04 0.00 -0.94 -4.90 120.51 115.43 3h45 n ALA 465 Ca -0.00 0.49 -0.04 0.00 0.00 0.00 0.00 53.44 53.89 3h45 n ALA 465 Cb 0.11 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.48 3h45 n ALA 465 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h45 n GLU 466 N 2.24 0.10 -1.96 0.00 1.02 -1.26 -5.10 120.64 115.68 3h45 n GLU 466 Ca 0.17 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.33 3h45 n GLU 466 Cb 0.22 -0.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.94 3h45 n GLU 466 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3h45 n GLU 467 N -3.38 -2.48 -3.82 3.49 2.13 -1.26 -5.06 120.64 110.27 3h45 n GLU 467 Ca -0.07 2.08 -0.13 0.00 0.66 0.00 0.00 57.16 59.70 3h45 n GLU 467 Cb 0.40 -2.98 -0.15 0.00 0.27 0.00 0.00 31.44 28.98 3h45 n GLU 467 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3h45 s GLY 468 N -0.33 0.03 -0.07 8.31 0.00 -1.26 -4.95 107.32 109.05 3h45 s GLY 468 Ca -0.11 0.20 -0.04 0.00 0.00 0.00 0.00 44.72 44.78 3h45 s GLY 468 CO 0.29 0.39 0.07 -0.18 0.00 0.00 0.00 173.10 173.67 3h45 n GLN 469 N 3.62 -1.57 -4.14 2.90 -0.06 -1.26 -4.32 117.38 112.56 3h45 n GLN 469 Ca -0.20 1.51 -0.25 0.00 -2.00 0.00 0.00 57.00 56.06 3h45 n GLN 469 Cb 0.55 -2.46 -0.06 0.00 -4.06 0.00 0.00 30.24 24.21 3h45 n GLN 469 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 3h45 s MET 470 N -0.83 2.73 -0.16 3.69 -2.45 -1.26 -2.02 119.30 118.99 3h45 s MET 470 Ca -0.09 -1.00 0.00 0.00 -1.25 0.00 0.00 55.69 53.36 3h45 s MET 470 Cb 0.01 -2.52 0.03 0.00 1.25 0.00 0.00 34.83 33.60 3h45 s MET 470 CO 0.28 0.46 -0.10 -0.06 1.05 0.00 0.00 175.02 176.64 3h45 s PHE 471 N -1.84 2.06 -0.11 4.11 0.08 0.11 -4.99 117.98 117.40 3h45 s PHE 471 Ca 0.30 -1.24 -0.06 0.00 0.12 0.00 0.00 56.93 56.05 3h45 s PHE 471 Cb -0.09 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 3h45 s PHE 471 CO 0.22 -0.66 0.12 0.99 -0.10 0.00 0.00 175.22 175.79 3h45 s THR 472 N 1.52 5.35 0.24 0.64 2.01 -1.26 -2.06 115.64 122.08 3h45 s THR 472 Ca 0.02 0.14 -0.31 0.00 0.31 0.00 0.00 61.69 61.85 3h45 s THR 472 Cb -0.14 -3.32 -0.12 0.00 0.01 0.00 0.00 72.50 68.93 3h45 s THR 472 CO -0.09 0.61 1.68 -2.84 -0.69 0.00 0.00 174.62 173.29 3h45 s PRO 473 N -1.03 4.12 -0.01 4.92 0.02 -1.26 -4.79 135.00 136.97 3h45 s PRO 473 Ca 0.15 2.60 0.03 0.00 0.02 0.00 0.00 61.00 63.80 3h45 s PRO 473 Cb -0.12 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.39 3h45 s PRO 473 CO 0.04 -0.71 1.02 -0.85 -0.33 0.00 0.00 177.00 176.17 3h45 n GLU 474 N 3.32 0.06 -4.03 5.54 0.28 -1.26 -5.00 120.64 119.56 3h45 n GLU 474 Ca 0.13 -1.15 -0.36 0.00 -0.16 0.00 0.00 57.16 55.62 3h45 n GLU 474 Cb 0.36 -0.51 -0.08 0.00 1.43 0.00 0.00 31.44 32.63 3h45 n GLU 474 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 3h45 s MET 475 N -0.14 3.54 0.39 3.44 1.75 -1.26 -5.08 119.30 121.94 3h45 s MET 475 Ca 0.04 -0.27 -0.26 0.00 -1.25 0.00 0.00 55.69 53.95 3h45 s MET 475 Cb 0.04 -3.12 -0.09 0.00 2.84 0.00 0.00 34.83 34.51 3h45 s MET 475 CO -0.01 0.58 1.25 -1.25 -0.65 0.00 0.00 175.02 174.93 3h45 s PRO 476 N -0.48 4.07 0.23 4.11 0.04 -1.26 -4.83 135.00 136.88 3h45 s PRO 476 Ca 0.11 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 3h45 s PRO 476 Cb -0.12 -2.79 0.28 0.00 0.04 0.00 0.00 34.50 31.92 3h45 s PRO 476 CO 0.02 -0.37 1.60 0.00 0.04 0.00 0.00 177.00 178.29 3h45 h ALA 477 N 2.80 0.40 -0.91 8.56 0.00 -1.98 -0.59 119.26 127.53 3h45 h ALA 477 Ca -0.49 0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.79 3h45 h ALA 477 Cb 1.24 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 3h45 h ALA 477 CO 0.63 -0.46 0.59 1.49 0.00 0.00 0.00 179.25 181.50 3h45 h GLU 478 N -0.03 0.89 0.11 0.00 4.81 -1.99 0.90 114.58 119.27 3h45 h GLU 478 Ca 0.34 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 3h45 h GLU 478 Cb 0.56 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3h45 h GLU 478 CO -0.78 0.59 -0.05 1.49 -0.73 0.00 0.00 179.01 179.53 3h45 h GLU 479 N 0.92 -0.14 -0.77 1.92 4.81 -1.51 -1.61 114.58 118.19 3h45 h GLU 479 Ca 0.42 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.78 3h45 h GLU 479 Cb 0.40 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.73 3h45 h GLU 479 CO -0.18 0.28 0.38 -0.09 -0.73 0.00 0.00 179.01 178.67 3h45 h ARG 480 N -0.62 0.57 0.00 1.92 2.43 -0.87 0.25 114.38 118.06 3h45 h ARG 480 Ca -0.01 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 3h45 h ARG 480 Cb 0.49 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3h45 h ARG 480 CO 0.02 0.38 -0.66 -0.44 -1.51 0.00 0.00 179.97 177.76 3h45 h ASP 481 N 0.59 0.00 0.02 -3.80 3.32 -0.84 -1.49 116.42 114.21 3h45 h ASP 481 Ca 0.40 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 3h45 h ASP 481 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3h45 h ASP 481 CO -0.33 0.66 -0.01 0.78 -1.72 0.00 0.00 179.24 178.62 3h45 h ASN 482 N 0.00 -0.02 -0.33 6.45 2.35 -0.20 -1.25 115.58 122.58 3h45 h ASN 482 Ca -0.01 -0.59 0.02 0.00 -0.55 0.00 0.00 56.30 55.17 3h45 h ASN 482 Cb 1.19 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.54 3h45 h ASN 482 CO 0.09 0.59 0.18 -0.07 -1.65 0.00 0.00 177.43 176.56 3h45 h LEU 483 N -0.64 0.28 -0.72 1.61 3.38 -0.57 -1.37 115.31 117.28 3h45 h LEU 483 Ca -0.00 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3h45 h LEU 483 Cb 0.61 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3h45 h LEU 483 CO 0.00 0.20 -0.37 0.22 0.09 0.00 0.00 178.44 178.59 3h45 h TYR 484 N 0.37 0.65 -0.90 1.13 3.20 -1.35 -2.28 116.97 117.79 3h45 h TYR 484 Ca 0.13 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3h45 h TYR 484 Cb 0.03 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3h45 h TYR 484 CO -0.09 0.85 0.52 1.49 -1.64 0.00 0.00 178.16 179.29 3h45 h GLU 485 N 0.47 1.24 0.06 1.82 4.57 -0.88 -1.74 114.58 120.11 3h45 h GLU 485 Ca 0.05 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3h45 h GLU 485 Cb 0.85 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3h45 h GLU 485 CO 0.07 0.89 -0.03 0.78 -1.18 0.00 0.00 179.01 179.54 3h45 h GLY 486 N 1.25 -0.08 0.13 1.92 0.00 -0.98 -2.32 103.07 103.00 3h45 h GLY 486 Ca 0.32 0.03 0.17 0.00 0.00 0.00 0.00 47.33 47.85 3h45 h GLY 486 CO -0.06 -0.03 0.46 -0.25 0.00 0.00 0.00 176.54 176.67 3h45 h TRP 487 N -0.26 0.80 0.00 5.60 2.91 -1.19 0.17 115.95 123.99 3h45 h TRP 487 Ca -0.01 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.99 3h45 h TRP 487 Cb 0.23 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 3h45 h TRP 487 CO -0.01 0.15 -0.29 0.87 -1.03 0.00 0.00 178.44 178.12 3h45 h LYS 488 N 0.61 0.00 0.00 2.65 1.57 -1.03 -0.77 116.57 119.60 3h45 h LYS 488 Ca 0.50 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.09 3h45 h LYS 488 Cb 0.77 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3h45 h LYS 488 CO -0.40 0.29 -0.91 1.96 -0.57 0.00 0.00 179.45 179.82 3h45 h GLN 489 N 0.00 0.00 -0.43 3.15 4.20 -0.23 -2.49 115.11 119.31 3h45 h GLN 489 Ca -0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 3h45 h GLN 489 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3h45 h GLN 489 CO 0.04 0.91 -0.17 0.00 -0.67 0.00 0.00 178.83 178.94 3h45 h ALA 490 N 1.09 0.60 -0.43 3.87 0.00 -0.13 -1.54 119.26 122.72 3h45 h ALA 490 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3h45 h ALA 490 Cb 1.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3h45 h ALA 490 CO 0.12 0.54 -0.13 0.28 0.00 0.00 0.00 179.25 180.06 3h45 h VAL 491 N 0.69 1.27 -0.73 0.00 2.07 -1.19 -0.40 116.25 117.96 3h45 h VAL 491 Ca 0.10 -1.25 0.10 0.00 0.82 0.00 0.00 66.70 66.47 3h45 h VAL 491 Cb 0.73 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 3h45 h VAL 491 CO 0.06 0.42 0.37 0.00 0.02 0.00 0.00 177.57 178.44 3h45 h ALA 492 N 0.85 1.02 -0.07 1.67 0.00 -1.26 0.20 119.26 121.66 3h45 h ALA 492 Ca 0.11 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3h45 h ALA 492 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3h45 h ALA 492 CO 0.05 -0.03 -0.20 0.00 0.00 0.00 0.00 179.25 179.07 3h45 h ALA 493 N 1.44 0.12 -1.00 0.00 0.00 -1.14 -2.61 119.26 116.08 3h45 h ALA 493 Ca 0.36 -0.38 0.20 0.00 0.00 0.00 0.00 54.91 55.09 3h45 h ALA 493 Cb 0.38 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 3h45 h ALA 493 CO -0.27 0.07 0.61 1.15 0.00 0.00 0.00 179.25 180.81 3h45 h THR 494 N -0.24 0.68 0.00 0.00 2.02 -0.36 0.33 112.91 115.35 3h45 h THR 494 Ca -0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3h45 h THR 494 Cb 0.81 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3h45 h THR 494 CO 0.04 0.13 0.00 1.56 0.37 0.00 0.00 175.52 177.62 3h45 h GLN 495 N 0.69 0.00 0.00 6.66 4.20 -0.51 -3.18 115.11 122.97 3h45 h GLN 495 Ca 0.58 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.20 3h45 h GLN 495 Cb 1.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 3h45 h GLN 495 CO -0.36 0.00 -0.47 1.79 -0.67 0.00 0.00 178.83 179.12 3h45 h THR 496 N 0.00 0.63 -2.16 -0.54 1.35 0.05 -3.41 112.91 108.82 3h45 h THR 496 Ca 0.00 -1.90 -0.62 0.00 -0.55 0.00 0.00 66.41 63.34 3h45 h THR 496 Cb 0.69 2.28 -0.13 0.00 -1.73 0.00 0.00 68.15 69.27 3h45 h THR 496 CO 0.00 0.36 0.96 0.12 -0.25 0.00 0.00 175.52 176.71 3h45 s PHE 497 N -3.02 2.65 -0.34 4.73 5.36 -1.02 -4.82 117.98 121.52 3h45 s PHE 497 Ca 0.04 -0.69 0.07 0.00 -0.96 0.00 0.00 56.93 55.39 3h45 s PHE 497 Cb 0.07 -4.47 0.45 0.00 -0.34 0.00 0.00 43.02 38.73 3h45 s PHE 497 CO 0.73 -1.78 1.16 1.63 -1.46 0.00 0.00 175.22 175.50 3h45 n LYS 498 N 8.12 3.44 -1.97 10.12 4.76 -1.26 -4.73 118.16 136.64 3h45 n LYS 498 Ca 0.13 -4.23 -0.42 0.00 -2.87 0.00 0.00 58.31 50.91 3h45 n LYS 498 Cb 0.48 -2.22 -0.03 0.00 -1.84 0.00 0.00 35.03 31.42 3h45 n LYS 498 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3h45 s PHE 499 N -3.58 1.89 -0.38 2.13 5.36 -1.26 -4.97 117.98 117.17 3h45 s PHE 499 Ca 0.49 0.20 0.04 0.00 -0.96 0.00 0.00 56.93 56.69 3h45 s PHE 499 Cb 0.40 -3.96 0.11 0.00 -0.34 0.00 0.00 43.02 39.23 3h45 s PHE 499 CO -0.03 -3.89 0.11 -1.59 -1.46 0.00 0.00 175.22 168.36 3h45 s LYS 500 N 4.29 1.54 -0.13 10.12 0.00 -1.26 -5.09 119.74 129.21 3h45 s LYS 500 Ca 0.76 -2.00 -0.42 0.00 0.00 0.00 0.00 55.97 54.31 3h45 s LYS 500 Cb -0.33 -3.13 -0.20 0.00 0.00 0.00 0.00 37.83 34.18 3h45 s LYS 500 CO 0.31 -0.99 1.23 0.00 0.00 0.00 0.00 175.35 175.90 3h45 n ALA 501 N 4.00 -2.90 1.48 0.59 0.00 -1.26 -5.36 120.51 117.07 3h45 n ALA 501 Ca 0.04 0.57 0.14 0.00 0.00 0.00 0.00 53.44 54.19 3h45 n ALA 501 Cb 0.39 -1.82 0.51 0.00 0.00 0.00 0.00 19.45 18.53 3h45 n ALA 501 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13