#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h46 n LYS 4 N 0.00 0.00 -0.49 5.31 4.76 -1.14 -4.82 118.16 121.78 3h46 n LYS 4 Ca 0.00 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.54 3h46 n LYS 4 Cb 0.00 0.00 0.33 0.00 -1.84 0.00 0.00 35.03 33.52 3h46 n LYS 4 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3h46 n ASN 5 N 0.00 4.30 -3.97 4.39 3.02 -1.01 -4.34 115.26 117.66 3h46 n ASN 5 Ca 0.00 -2.27 -0.09 0.00 -0.03 0.00 0.00 54.58 52.19 3h46 n ASN 5 Cb 0.00 -0.52 -0.11 0.00 -0.61 0.00 0.00 39.78 38.55 3h46 n ASN 5 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h46 s TYR 6 N -1.51 0.25 0.11 3.10 2.02 -1.11 -3.77 117.35 116.45 3h46 s TYR 6 Ca 0.48 -0.52 0.09 0.00 -0.37 0.00 0.00 57.07 56.75 3h46 s TYR 6 Cb 0.29 -0.18 -0.04 0.00 -0.40 0.00 0.00 41.96 41.62 3h46 s TYR 6 CO 0.26 -0.25 -0.23 0.14 -1.57 0.00 0.00 175.55 173.91 3h46 s VAL 7 N -1.85 1.91 -0.07 0.71 -7.23 -0.80 0.26 120.40 113.33 3h46 s VAL 7 Ca -0.12 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 3h46 s VAL 7 Cb -0.07 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 3h46 s VAL 7 CO -0.02 -0.01 -0.13 -0.32 -0.31 0.00 0.00 175.10 174.31 3h46 s MET 8 N -1.98 2.69 -0.08 4.82 1.75 -0.56 -0.96 119.30 124.99 3h46 s MET 8 Ca 0.09 -0.68 0.01 0.00 -1.25 0.00 0.00 55.69 53.86 3h46 s MET 8 Cb -0.10 -2.45 -0.03 0.00 2.84 0.00 0.00 34.83 35.09 3h46 s MET 8 CO 0.05 0.55 -0.08 0.00 -0.65 0.00 0.00 175.02 174.89 3h46 s ALA 9 N -0.54 2.89 -0.17 4.11 0.00 0.86 -0.62 121.76 128.29 3h46 s ALA 9 Ca 0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3h46 s ALA 9 Cb -0.12 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 3h46 s ALA 9 CO 0.02 0.50 -0.11 0.42 0.00 0.00 0.00 175.76 176.59 3h46 s ILE 10 N -0.57 2.99 -0.36 0.00 1.01 -0.18 -0.86 121.20 123.23 3h46 s ILE 10 Ca 0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 3h46 s ILE 10 Cb -0.12 -2.30 0.08 0.00 0.01 0.00 0.00 42.46 40.13 3h46 s ILE 10 CO 0.02 0.49 0.11 -0.62 0.00 0.00 0.00 174.94 174.94 3h46 s ASP 11 N 0.93 5.14 -0.75 3.58 2.15 0.97 -1.23 116.67 127.45 3h46 s ASP 11 Ca -0.02 -1.59 -0.17 0.00 0.43 0.00 0.00 52.55 51.20 3h46 s ASP 11 Cb -0.15 -1.79 0.16 0.00 -0.30 0.00 0.00 42.92 40.83 3h46 s ASP 11 CO -0.01 -0.40 0.80 -1.58 -0.17 0.00 0.00 175.17 173.81 3h46 s GLN 12 N 1.23 3.37 0.38 4.34 -0.44 -0.03 -0.72 119.66 127.78 3h46 s GLN 12 Ca 0.01 -1.89 -0.01 0.00 -2.50 0.00 0.00 55.36 50.98 3h46 s GLN 12 Cb -0.21 -4.47 0.08 0.00 -1.64 0.00 0.00 33.01 26.76 3h46 s GLN 12 CO -0.02 -1.48 0.52 0.41 0.50 0.00 0.00 175.29 175.22 3h46 n GLY 13 N 4.83 0.46 0.25 2.59 0.00 -0.04 -0.68 105.19 112.60 3h46 n GLY 13 Ca 0.06 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 3h46 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h46 h THR 14 N -0.60 1.27 -0.00 2.61 2.02 -1.96 -3.35 112.91 112.90 3h46 h THR 14 Ca -0.17 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.74 3h46 h THR 14 Cb 0.60 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3h46 h THR 14 CO 0.17 0.43 -0.01 0.35 0.37 0.00 0.00 175.52 176.83 3h46 n THR 15 N -4.25 0.00 -3.82 3.16 -2.24 -1.26 -4.99 114.28 100.88 3h46 n THR 15 Ca -0.01 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.19 3h46 n THR 15 Cb 0.40 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 3h46 n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h46 s SER 16 N -0.48 -0.20 0.19 3.42 1.04 -1.26 -2.87 113.70 113.55 3h46 s SER 16 Ca 0.00 -0.61 0.10 0.00 0.48 0.00 0.00 55.95 55.92 3h46 s SER 16 Cb 0.00 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 3h46 s SER 16 CO 0.01 -1.08 -0.14 -0.44 0.98 0.00 0.00 173.24 172.57 3h46 s SER 17 N -2.91 3.98 0.00 7.02 0.01 -0.14 -0.87 113.70 120.80 3h46 s SER 17 Ca 0.13 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 3h46 s SER 17 Cb -0.01 -0.56 -0.01 0.00 0.21 0.00 0.00 66.02 65.65 3h46 s SER 17 CO 0.01 0.10 0.03 -0.60 0.41 0.00 0.00 173.24 173.19 3h46 s ARG 18 N -2.87 0.28 -0.00 12.44 3.52 0.10 -0.97 118.95 131.44 3h46 s ARG 18 Ca 0.24 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.51 3h46 s ARG 18 Cb -0.08 0.11 -0.01 0.00 -1.56 0.00 0.00 34.95 33.41 3h46 s ARG 18 CO 0.14 -0.05 -0.09 0.00 -0.81 0.00 0.00 175.30 174.49 3h46 s ALA 19 N -1.01 0.71 -0.00 6.12 0.00 -0.53 -0.02 121.76 127.02 3h46 s ALA 19 Ca -0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 3h46 s ALA 19 Cb -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3h46 s ALA 19 CO -0.00 0.16 0.01 0.42 0.00 0.00 0.00 175.76 176.35 3h46 s ILE 20 N -0.27 -0.00 -0.13 0.00 -1.09 -0.04 -1.61 121.20 118.06 3h46 s ILE 20 Ca 0.03 0.01 -0.01 0.00 -2.23 0.00 0.00 60.65 58.44 3h46 s ILE 20 Cb -0.04 -0.03 -0.02 0.00 -1.58 0.00 0.00 42.46 40.80 3h46 s ILE 20 CO -0.00 0.00 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.00 3h46 s ILE 21 N 0.05 3.48 0.15 2.92 1.01 -0.61 -0.10 121.20 128.10 3h46 s ILE 21 Ca -0.00 -0.52 0.11 0.00 0.00 0.00 0.00 60.65 60.24 3h46 s ILE 21 Cb -0.01 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3h46 s ILE 21 CO -0.00 0.53 -0.26 -0.36 0.00 0.00 0.00 174.94 174.84 3h46 s PHE 22 N 0.12 2.31 0.34 3.97 0.08 -0.13 -0.83 117.98 123.84 3h46 s PHE 22 Ca -0.04 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.66 3h46 s PHE 22 Cb -0.14 -1.22 0.07 0.00 -0.57 0.00 0.00 43.02 41.16 3h46 s PHE 22 CO 0.04 0.39 0.47 -0.40 -0.10 0.00 0.00 175.22 175.62 3h46 n ASP 23 N 0.72 0.82 0.00 1.36 5.68 -0.60 -1.91 116.55 122.62 3h46 n ASP 23 Ca -0.16 -1.65 0.05 0.00 -0.50 0.00 0.00 54.79 52.53 3h46 n ASP 23 Cb 0.54 -0.29 0.26 0.00 -1.14 0.00 0.00 41.12 40.48 3h46 n ASP 23 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3h46 n ARG 24 N -1.84 0.05 0.00 0.11 0.63 -1.25 -1.34 116.66 113.03 3h46 n ARG 24 Ca 0.08 0.27 0.12 0.00 -0.92 0.00 0.00 57.85 57.40 3h46 n ARG 24 Cb 0.30 -1.50 0.19 0.00 0.45 0.00 0.00 32.46 31.91 3h46 n ARG 24 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3h46 n ASN 25 N -1.43 1.60 0.00 6.15 3.02 -1.26 -4.94 115.26 118.40 3h46 n ASN 25 Ca 0.04 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 3h46 n ASN 25 Cb 0.12 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 3h46 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h46 n GLY 26 N 1.37 0.62 3.79 7.41 0.00 -0.45 -4.89 105.19 113.03 3h46 n GLY 26 Ca 0.11 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3h46 n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h46 s LYS 27 N -0.57 4.28 -0.16 1.61 2.20 -1.26 -4.84 119.74 121.00 3h46 s LYS 27 Ca 0.00 0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 56.08 3h46 s LYS 27 Cb 0.00 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 3h46 s LYS 27 CO 0.00 0.51 1.39 0.21 -0.36 0.00 0.00 175.35 177.09 3h46 s LYS 28 N -0.68 4.14 -0.13 4.03 2.20 -1.26 -1.56 119.74 126.49 3h46 s LYS 28 Ca 0.30 1.73 0.19 0.00 -0.36 0.00 0.00 55.97 57.83 3h46 s LYS 28 Cb -0.19 -3.85 -0.27 0.00 -1.51 0.00 0.00 37.83 32.01 3h46 s LYS 28 CO 0.19 -0.84 0.22 -0.89 -0.36 0.00 0.00 175.35 173.66 3h46 n ILE 29 N 5.59 0.81 -3.58 5.43 2.08 -0.01 -4.99 119.36 124.68 3h46 n ILE 29 Ca 0.15 -0.68 -0.12 0.00 0.56 0.00 0.00 62.75 62.66 3h46 n ILE 29 Cb 0.45 -0.29 -0.06 0.00 -0.75 0.00 0.00 39.64 38.99 3h46 n ILE 29 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3h46 s GLY 30 N -4.99 -0.32 0.14 7.39 0.00 -1.23 -4.34 107.32 103.98 3h46 s GLY 30 Ca -0.09 2.02 -0.15 0.00 0.00 0.00 0.00 44.72 46.50 3h46 s GLY 30 CO 0.82 1.21 0.40 -1.35 0.00 0.00 0.00 173.10 174.18 3h46 s SER 31 N -0.79 -0.19 -0.11 1.64 1.04 -1.26 -1.57 113.70 112.46 3h46 s SER 31 Ca -0.02 -0.43 -0.16 0.00 0.48 0.00 0.00 55.95 55.81 3h46 s SER 31 Cb -0.01 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.63 3h46 s SER 31 CO 0.02 -0.90 0.40 -0.55 0.98 0.00 0.00 173.24 173.19 3h46 s SER 32 N -2.84 -0.38 0.00 7.02 0.15 -0.63 -4.51 113.70 112.50 3h46 s SER 32 Ca 0.06 0.64 0.01 0.00 0.70 0.00 0.00 55.95 57.36 3h46 s SER 32 Cb 0.02 0.69 -0.00 0.00 -1.71 0.00 0.00 66.02 65.01 3h46 s SER 32 CO -0.09 -0.25 -0.03 -1.58 1.20 0.00 0.00 173.24 172.49 3h46 s GLN 33 N -0.26 0.25 -0.11 5.44 0.74 -1.26 -1.46 119.66 123.00 3h46 s GLN 33 Ca -0.04 -0.17 -0.06 0.00 0.05 0.00 0.00 55.36 55.14 3h46 s GLN 33 Cb -0.03 -0.21 0.04 0.00 1.10 0.00 0.00 33.01 33.91 3h46 s GLN 33 CO 0.02 0.06 0.26 0.21 -0.55 0.00 0.00 175.29 175.29 3h46 s LYS 34 N -0.22 0.24 0.66 1.67 2.20 -0.15 -4.99 119.74 119.15 3h46 s LYS 34 Ca -0.00 0.52 -0.11 0.00 -0.36 0.00 0.00 55.97 56.02 3h46 s LYS 34 Cb -0.02 -0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.23 3h46 s LYS 34 CO -0.00 -0.14 1.05 -1.21 -0.36 0.00 0.00 175.35 174.69 3h46 s GLU 35 N 1.06 3.22 0.05 4.03 2.02 -1.26 -0.96 118.70 126.86 3h46 s GLU 35 Ca -0.08 0.77 -0.03 0.00 0.02 0.00 0.00 54.97 55.66 3h46 s GLU 35 Cb -0.09 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.08 3h46 s GLU 35 CO -0.07 -0.85 0.02 -0.59 0.02 0.00 0.00 175.26 173.79 3h46 s PHE 36 N -3.16 0.40 0.32 1.61 -0.12 -1.14 -4.88 117.98 111.02 3h46 s PHE 36 Ca 0.57 -0.88 -0.29 0.00 -0.05 0.00 0.00 56.93 56.27 3h46 s PHE 36 Cb -0.12 -0.29 -0.12 0.00 -0.63 0.00 0.00 43.02 41.86 3h46 s PHE 36 CO 0.54 -0.39 1.54 -2.30 -0.05 0.00 0.00 175.22 174.57 3h46 n PRO 37 N 0.29 2.64 -4.02 1.99 -0.02 -1.26 -4.84 135.00 129.78 3h46 n PRO 37 Ca -0.16 0.94 -0.35 0.00 -2.02 0.00 0.00 63.50 61.91 3h46 n PRO 37 Cb 0.60 -2.69 -0.13 0.00 -0.02 0.00 0.00 33.50 31.27 3h46 n PRO 37 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3h46 s GLN 38 N -1.05 3.57 -0.13 -0.52 -1.52 -1.26 -4.60 119.66 114.15 3h46 s GLN 38 Ca 0.60 -0.54 -0.04 0.00 -1.95 0.00 0.00 55.36 53.43 3h46 s GLN 38 Cb -0.50 -3.08 -0.04 0.00 -0.22 0.00 0.00 33.01 29.17 3h46 s GLN 38 CO 0.54 -0.05 0.03 0.71 -0.25 0.00 0.00 175.29 176.27 3h46 s TYR 39 N 1.15 3.21 -0.60 0.91 2.02 -0.21 -4.99 117.35 118.85 3h46 s TYR 39 Ca 0.03 0.12 0.06 0.00 -0.37 0.00 0.00 57.07 56.90 3h46 s TYR 39 Cb -0.14 -1.91 0.20 0.00 -0.40 0.00 0.00 41.96 39.71 3h46 s TYR 39 CO 0.01 0.33 0.55 1.19 -1.57 0.00 0.00 175.55 176.06 3h46 n PHE 40 N 2.73 2.21 0.23 2.71 3.72 -1.26 -0.95 117.46 126.85 3h46 n PHE 40 Ca -0.18 -4.00 0.08 0.00 -0.05 0.00 0.00 57.45 53.29 3h46 n PHE 40 Cb 0.53 -0.42 0.54 0.00 -0.94 0.00 0.00 39.48 39.19 3h46 n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3h46 h PRO 41 N 4.89 0.00 -3.44 -1.08 0.13 -1.98 -3.44 132.00 127.08 3h46 h PRO 41 Ca 0.18 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.20 3h46 h PRO 41 Cb 0.77 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.72 3h46 h PRO 41 CO 0.66 0.22 -0.34 0.15 -0.23 0.00 0.00 178.00 178.46 3h46 s LYS 42 N -4.26 0.72 0.17 0.86 1.02 -1.26 -5.07 119.74 111.92 3h46 s LYS 42 Ca -0.03 -0.55 -0.34 0.00 0.02 0.00 0.00 55.97 55.07 3h46 s LYS 42 Cb 0.14 0.31 -0.14 0.00 -0.52 0.00 0.00 37.83 37.62 3h46 s LYS 42 CO 0.66 -0.22 1.57 0.45 -0.92 0.00 0.00 175.35 176.90 3h46 n SER 43 N 0.72 3.10 0.00 2.83 2.88 -1.26 -0.74 113.62 121.15 3h46 n SER 43 Ca -0.19 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 3h46 n SER 43 Cb 0.59 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 3h46 n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h46 n GLY 44 N 3.37 2.82 3.81 0.46 0.00 -1.26 -4.99 105.19 109.39 3h46 n GLY 44 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3h46 n GLY 44 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h46 s TRP 45 N -2.03 3.82 -0.04 1.61 0.52 0.08 -0.85 118.94 122.04 3h46 s TRP 45 Ca 0.00 1.34 -0.01 0.00 0.02 0.00 0.00 56.10 57.45 3h46 s TRP 45 Cb 0.00 -2.55 0.03 0.00 -1.15 0.00 0.00 33.47 29.80 3h46 s TRP 45 CO 0.00 0.56 0.01 0.08 0.02 0.00 0.00 176.95 177.63 3h46 s VAL 46 N -1.14 0.16 0.07 4.03 1.01 -1.26 -4.29 120.40 118.98 3h46 s VAL 46 Ca 0.31 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.50 3h46 s VAL 46 Cb -0.20 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 3h46 s VAL 46 CO 0.20 0.18 -0.11 -1.61 0.00 0.00 0.00 175.10 173.77 3h46 s GLU 47 N 1.53 0.72 0.07 2.72 2.02 -0.13 -1.76 118.70 123.87 3h46 s GLU 47 Ca -0.03 -0.94 0.08 0.00 0.02 0.00 0.00 54.97 54.11 3h46 s GLU 47 Cb -0.13 -0.54 -0.03 0.00 0.10 0.00 0.00 34.13 33.53 3h46 s GLU 47 CO -0.03 0.10 -0.22 -1.01 0.02 0.00 0.00 175.26 174.13 3h46 s HIS 48 N -1.64 1.88 -0.32 1.61 3.76 -0.73 -1.04 115.29 118.80 3h46 s HIS 48 Ca -0.03 -0.39 -0.21 0.00 -0.15 0.00 0.00 55.06 54.28 3h46 s HIS 48 Cb -0.08 -1.08 -0.00 0.00 1.11 0.00 0.00 32.58 32.52 3h46 s HIS 48 CO 0.01 0.15 0.65 1.21 -0.85 0.00 0.00 174.74 175.92 3h46 s ASN 49 N -1.50 6.50 0.47 1.40 3.84 -1.26 0.25 114.94 124.64 3h46 s ASN 49 Ca 0.08 0.39 0.21 0.00 0.21 0.00 0.00 52.86 53.75 3h46 s ASN 49 Cb -0.09 -2.34 1.16 0.00 -0.55 0.00 0.00 41.25 39.43 3h46 s ASN 49 CO 0.03 -0.53 1.99 0.00 -2.79 0.00 0.00 177.10 175.80 3h46 h ALA 50 N 8.25 1.38 -0.61 1.71 0.00 -1.93 0.02 119.26 128.08 3h46 h ALA 50 Ca -0.26 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3h46 h ALA 50 Cb 1.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3h46 h ALA 50 CO 0.82 0.24 0.00 -0.91 0.00 0.00 0.00 179.25 179.41 3h46 h ASN 51 N 0.00 1.06 -0.14 0.00 2.35 -1.97 -1.08 115.58 115.80 3h46 h ASN 51 Ca -0.00 -0.30 -0.13 0.00 -0.55 0.00 0.00 56.30 55.32 3h46 h ASN 51 Cb 0.43 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3h46 h ASN 51 CO 0.03 1.10 -0.34 -0.33 -1.65 0.00 0.00 177.43 176.24 3h46 h GLU 52 N 0.98 0.64 -0.11 0.81 5.08 -1.71 -0.17 114.58 120.10 3h46 h GLU 52 Ca 0.17 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3h46 h GLU 52 Cb 0.56 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3h46 h GLU 52 CO 0.03 0.89 0.03 0.82 -1.00 0.00 0.00 179.01 179.77 3h46 h ILE 53 N 0.54 0.96 -0.21 3.13 2.04 -0.94 -0.76 117.51 122.27 3h46 h ILE 53 Ca 0.06 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3h46 h ILE 53 Cb 0.84 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3h46 h ILE 53 CO 0.07 0.01 0.07 -0.25 0.00 0.00 0.00 178.15 178.06 3h46 h TRP 54 N 0.08 0.13 -0.99 1.37 -0.00 -0.97 -1.50 115.95 114.07 3h46 h TRP 54 Ca 0.05 0.01 0.11 0.00 -0.00 0.00 0.00 58.89 59.06 3h46 h TRP 54 Cb 0.03 -0.03 -0.08 0.00 -0.00 0.00 0.00 29.16 29.09 3h46 h TRP 54 CO -0.11 0.06 0.63 -0.91 -0.00 0.00 0.00 178.44 178.11 3h46 h ASN 55 N 0.17 0.93 0.02 2.65 2.35 -0.87 0.27 115.58 121.09 3h46 h ASN 55 Ca 0.09 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 3h46 h ASN 55 Cb 0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3h46 h ASN 55 CO -0.09 0.51 -0.19 0.77 -1.65 0.00 0.00 177.43 176.78 3h46 h SER 56 N 1.01 0.31 -0.06 5.81 4.64 -0.15 -0.82 113.55 124.29 3h46 h SER 56 Ca 0.48 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.68 3h46 h SER 56 Cb 0.44 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3h46 h SER 56 CO -0.24 0.52 -0.11 0.58 -0.87 0.00 0.00 176.83 176.71 3h46 h VAL 57 N 0.29 1.41 -0.66 0.95 2.07 -0.59 -1.24 116.25 118.49 3h46 h VAL 57 Ca 0.05 -1.40 0.12 0.00 0.82 0.00 0.00 66.70 66.30 3h46 h VAL 57 Cb 0.51 2.19 -0.09 0.00 -1.52 0.00 0.00 31.29 32.38 3h46 h VAL 57 CO 0.03 0.39 0.18 1.56 0.02 0.00 0.00 177.57 179.75 3h46 h GLN 58 N -0.30 0.31 -0.18 1.57 4.20 -0.82 -0.65 115.11 119.24 3h46 h GLN 58 Ca 0.00 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.70 3h46 h GLN 58 Cb 0.68 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 3h46 h GLN 58 CO 0.03 0.20 0.10 0.77 -0.67 0.00 0.00 178.83 179.26 3h46 h SER 59 N 0.32 0.17 0.64 1.46 0.02 -1.04 -1.74 113.55 113.38 3h46 h SER 59 Ca 0.35 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.15 3h46 h SER 59 Cb 0.53 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3h46 h SER 59 CO -0.41 0.12 -0.70 -0.37 -1.14 0.00 0.00 176.83 174.33 3h46 h VAL 60 N 0.22 1.48 0.12 2.27 -1.51 -0.82 0.15 116.25 118.16 3h46 h VAL 60 Ca 0.07 -2.35 -0.01 0.00 -1.23 0.00 0.00 66.70 63.19 3h46 h VAL 60 Cb -0.00 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 3h46 h VAL 60 CO -0.04 0.67 -0.06 0.40 -1.23 0.00 0.00 177.57 177.32 3h46 h ILE 61 N 0.03 0.94 -0.39 7.19 2.04 -1.04 -0.01 117.51 126.27 3h46 h ILE 61 Ca -0.01 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.70 3h46 h ILE 61 Cb 1.23 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 38.32 3h46 h ILE 61 CO 0.09 0.05 -0.11 0.00 0.00 0.00 0.00 178.15 178.19 3h46 h ALA 62 N 0.60 0.24 -1.00 1.87 0.00 -1.18 -2.52 119.26 117.29 3h46 h ALA 62 Ca -0.02 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3h46 h ALA 62 Cb 0.21 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3h46 h ALA 62 CO 0.03 -0.46 0.65 0.78 0.00 0.00 0.00 179.25 180.25 3h46 h GLY 63 N -0.01 1.48 0.91 0.00 0.00 -0.63 -0.40 103.07 104.42 3h46 h GLY 63 Ca 0.19 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3h46 h GLY 63 CO -0.41 0.41 0.08 0.00 0.00 0.00 0.00 176.54 176.62 3h46 h ALA 64 N 1.43 0.43 -0.41 3.60 0.00 -0.75 -0.53 119.26 123.02 3h46 h ALA 64 Ca 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3h46 h ALA 64 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h46 h ALA 64 CO -0.14 0.09 0.22 0.74 0.00 0.00 0.00 179.25 180.16 3h46 h PHE 65 N 0.37 0.56 -0.28 0.00 0.04 -1.16 -1.56 116.94 114.92 3h46 h PHE 65 Ca 0.10 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3h46 h PHE 65 Cb 0.28 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3h46 h PHE 65 CO 0.01 0.44 0.15 0.82 -0.60 0.00 0.00 178.31 179.13 3h46 h ILE 66 N 0.53 1.13 0.00 -0.55 2.04 -0.90 -0.02 117.51 119.74 3h46 h ILE 66 Ca 0.14 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3h46 h ILE 66 Cb 0.06 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3h46 h ILE 66 CO -0.02 0.13 -0.30 -0.08 0.00 0.00 0.00 178.15 177.88 3h46 h GLU 67 N 0.33 0.00 0.00 2.37 4.81 -1.06 -3.24 114.58 117.79 3h46 h GLU 67 Ca 0.10 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.11 3h46 h GLU 67 Cb 0.08 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 3h46 h GLU 67 CO -0.01 0.30 -1.60 -1.13 -0.73 0.00 0.00 179.01 175.83 3h46 n SER 68 N -3.87 0.76 0.00 1.04 3.41 -0.59 -4.82 113.62 109.55 3h46 n SER 68 Ca -0.02 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3h46 n SER 68 Cb 0.38 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3h46 n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h46 n GLY 69 N 1.47 0.59 3.83 5.00 0.00 -0.06 -4.94 105.19 111.08 3h46 n GLY 69 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3h46 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h46 s ILE 70 N -2.59 4.49 0.05 -0.61 -1.09 -1.24 -5.07 121.20 115.15 3h46 s ILE 70 Ca 0.00 1.30 0.03 0.00 -2.23 0.00 0.00 60.65 59.74 3h46 s ILE 70 Cb 0.00 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 3h46 s ILE 70 CO 0.00 -0.23 0.03 -0.13 -1.23 0.00 0.00 174.94 173.39 3h46 s ARG 71 N -3.01 2.79 0.29 2.79 0.52 -1.26 -4.78 118.95 116.29 3h46 s ARG 71 Ca 0.58 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 55.16 3h46 s ARG 71 Cb -0.10 -2.68 0.74 0.00 0.52 0.00 0.00 34.95 33.43 3h46 s ARG 71 CO 0.15 0.59 1.71 -1.35 0.02 0.00 0.00 175.30 176.42 3h46 h PRO 72 N 3.78 0.45 0.00 3.54 0.11 -1.98 0.39 132.00 138.29 3h46 h PRO 72 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h46 h PRO 72 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3h46 h PRO 72 CO 0.61 0.29 0.21 1.05 -0.21 0.00 0.00 178.00 179.96 3h46 h GLU 73 N 0.46 0.00 -0.01 1.05 4.11 -1.95 0.36 114.58 118.60 3h46 h GLU 73 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.00 3h46 h GLU 73 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3h46 h GLU 73 CO -0.50 0.00 -0.07 0.00 0.07 0.00 0.00 179.01 178.51 3h46 n ALA 74 N -1.85 2.73 -2.63 1.06 0.00 0.13 0.17 120.51 120.12 3h46 n ALA 74 Ca -0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 3h46 n ALA 74 Cb 0.26 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 3h46 n ALA 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h46 s ILE 75 N -2.19 4.81 0.19 0.00 -1.09 0.13 -2.39 121.20 120.65 3h46 s ILE 75 Ca 0.35 1.35 -0.02 0.00 -2.23 0.00 0.00 60.65 60.11 3h46 s ILE 75 Cb 0.21 -4.13 -0.08 0.00 -1.58 0.00 0.00 42.46 36.87 3h46 s ILE 75 CO 0.40 -0.17 1.47 0.00 -1.23 0.00 0.00 174.94 175.41 3h46 h ALA 76 N 7.93 0.65 -2.08 9.38 0.00 -0.39 -3.38 119.26 131.36 3h46 h ALA 76 Ca -0.24 -0.57 0.10 0.00 0.00 0.00 0.00 54.91 54.20 3h46 h ALA 76 Cb 1.10 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.64 3h46 h ALA 76 CO 0.88 0.73 0.50 0.20 0.00 0.00 0.00 179.25 181.56 3h46 s GLY 77 N -4.26 -0.42 -0.09 0.00 0.00 -1.26 -4.47 107.32 96.83 3h46 s GLY 77 Ca -0.06 1.29 0.03 0.00 0.00 0.00 0.00 44.72 45.98 3h46 s GLY 77 CO 0.84 0.54 -0.19 -0.42 0.00 0.00 0.00 173.10 173.86 3h46 s ILE 78 N -2.53 2.55 0.04 0.90 1.01 -0.32 -1.50 121.20 121.35 3h46 s ILE 78 Ca 0.03 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.86 3h46 s ILE 78 Cb -0.01 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3h46 s ILE 78 CO -0.05 0.56 -0.14 -0.83 0.00 0.00 0.00 174.94 174.48 3h46 s GLY 79 N -0.01 1.66 -0.06 6.18 0.00 0.21 -1.35 107.32 113.95 3h46 s GLY 79 Ca -0.06 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.54 3h46 s GLY 79 CO 0.05 -1.04 -0.11 -0.42 0.00 0.00 0.00 173.10 171.58 3h46 s ILE 80 N -0.98 1.04 0.07 0.90 1.01 0.23 -1.01 121.20 122.45 3h46 s ILE 80 Ca 0.16 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3h46 s ILE 80 Cb -0.11 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 3h46 s ILE 80 CO 0.07 0.33 -0.05 0.28 0.00 0.00 0.00 174.94 175.57 3h46 s THR 81 N 0.64 0.46 0.05 2.92 -1.32 -0.37 -2.05 115.64 115.98 3h46 s THR 81 Ca -0.13 -1.68 -0.21 0.00 -1.21 0.00 0.00 61.69 58.45 3h46 s THR 81 Cb -0.15 -1.35 0.05 0.00 -1.51 0.00 0.00 72.50 69.54 3h46 s THR 81 CO 0.03 -0.81 0.50 0.54 -2.21 0.00 0.00 174.62 172.66 3h46 s ASN 82 N -2.65 -0.41 0.07 8.08 4.22 -1.21 -0.85 114.94 122.19 3h46 s ASN 82 Ca 0.05 0.13 -0.36 0.00 -2.14 0.00 0.00 52.86 50.54 3h46 s ASN 82 Cb 0.03 0.48 -0.16 0.00 1.28 0.00 0.00 41.25 42.88 3h46 s ASN 82 CO -0.05 -0.71 1.44 0.00 -2.04 0.00 0.00 177.10 175.74 3h46 n GLN 83 N 0.42 1.40 -2.28 3.55 10.64 0.14 -0.76 117.38 130.48 3h46 n GLN 83 Ca -0.18 0.50 -0.26 0.00 -1.83 0.00 0.00 57.00 55.23 3h46 n GLN 83 Cb 0.60 -2.18 0.10 0.00 -0.86 0.00 0.00 30.24 27.90 3h46 n GLN 83 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3h46 s ARG 84 N 0.95 1.74 0.00 2.61 0.52 -1.26 -4.50 118.95 119.01 3h46 s ARG 84 Ca 0.85 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3h46 s ARG 84 Cb -0.90 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 32.40 3h46 s ARG 84 CO 0.47 -1.51 0.00 0.39 0.02 0.00 0.00 175.30 174.67 3h46 n GLU 85 N -3.03 0.00 -1.59 3.54 4.71 -1.26 -4.36 120.64 118.65 3h46 n GLU 85 Ca 0.11 0.00 -0.50 0.00 -0.01 0.00 0.00 57.16 56.76 3h46 n GLU 85 Cb 0.60 -0.47 -0.05 0.00 -1.01 0.00 0.00 31.44 30.52 3h46 n GLU 85 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3h46 n THR 86 N 0.00 0.36 -4.81 2.62 -1.04 -1.26 -4.01 114.28 106.14 3h46 n THR 86 Ca 0.00 -0.09 -0.28 0.00 -2.04 0.00 0.00 64.05 61.64 3h46 n THR 86 Cb 0.00 -0.86 -0.17 0.00 -1.82 0.00 0.00 70.33 67.48 3h46 n THR 86 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3h46 s THR 87 N 0.23 1.59 -0.04 12.58 2.01 -0.46 -3.67 115.64 127.87 3h46 s THR 87 Ca 0.80 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 62.12 3h46 s THR 87 Cb -0.90 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 3h46 s THR 87 CO 0.49 0.46 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.96 3h46 s VAL 88 N 0.60 2.37 -0.07 3.82 1.01 -0.38 -1.33 120.40 126.43 3h46 s VAL 88 Ca -0.15 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 60.92 3h46 s VAL 88 Cb -0.16 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3h46 s VAL 88 CO 0.05 0.58 -0.25 -0.69 0.00 0.00 0.00 175.10 174.79 3h46 s VAL 89 N -0.47 2.08 0.07 2.92 1.01 -1.26 -0.83 120.40 123.92 3h46 s VAL 89 Ca 0.06 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 3h46 s VAL 89 Cb -0.12 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3h46 s VAL 89 CO 0.01 0.57 -0.00 -1.66 0.00 0.00 0.00 175.10 174.02 3h46 s TRP 90 N -0.01 0.58 -0.03 5.22 -2.14 0.72 -1.22 118.94 122.05 3h46 s TRP 90 Ca -0.08 -1.09 -0.27 0.00 2.66 0.00 0.00 56.10 57.32 3h46 s TRP 90 Cb -0.15 -0.39 -0.03 0.00 -3.10 0.00 0.00 33.47 29.79 3h46 s TRP 90 CO 0.05 -0.42 0.85 0.34 -2.66 0.00 0.00 176.95 175.11 3h46 s ASP 91 N -2.95 7.19 0.28 -2.66 2.15 -0.66 -0.10 116.67 119.92 3h46 s ASP 91 Ca 0.11 1.44 -0.03 0.00 0.43 0.00 0.00 52.55 54.49 3h46 s ASP 91 Cb 0.08 -2.50 0.39 0.00 -0.30 0.00 0.00 42.92 40.59 3h46 s ASP 91 CO -0.07 -0.19 1.95 0.50 -0.17 0.00 0.00 175.17 177.19 3h46 h LYS 92 N 6.78 1.15 0.03 4.34 3.64 -0.95 -0.79 116.57 130.78 3h46 h LYS 92 Ca -0.41 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 3h46 h LYS 92 Cb 1.21 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3h46 h LYS 92 CO 0.75 0.77 -0.22 1.15 -2.27 0.00 0.00 179.45 179.63 3h46 h THR 93 N 1.18 1.70 0.00 1.00 2.02 -1.93 -3.37 112.91 113.51 3h46 h THR 93 Ca 0.32 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 65.16 3h46 h THR 93 Cb -0.12 3.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 3h46 h THR 93 CO -0.07 0.62 -0.87 0.35 0.37 0.00 0.00 175.52 175.93 3h46 n THR 94 N -4.49 0.43 -0.93 3.16 -2.24 -1.23 -4.95 114.28 104.03 3h46 n THR 94 Ca -0.11 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3h46 n THR 94 Cb 0.56 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3h46 n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h46 n GLY 95 N 1.28 0.72 3.69 3.38 0.00 -0.30 -5.00 105.19 108.96 3h46 n GLY 95 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3h46 n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h46 s GLN 96 N -0.22 4.33 0.48 1.61 -1.52 -1.25 -4.77 119.66 118.31 3h46 s GLN 96 Ca 0.00 0.75 -0.24 0.00 -1.95 0.00 0.00 55.36 53.92 3h46 s GLN 96 Cb 0.00 -3.50 -0.07 0.00 -0.22 0.00 0.00 33.01 29.21 3h46 s GLN 96 CO 0.00 -0.07 1.38 -2.30 -0.25 0.00 0.00 175.29 174.05 3h46 n PRO 97 N 4.36 2.02 0.17 2.91 -0.02 -1.26 -1.66 135.00 141.51 3h46 n PRO 97 Ca -0.01 0.73 0.13 0.00 -2.02 0.00 0.00 63.50 62.33 3h46 n PRO 97 Cb 0.51 -2.58 0.49 0.00 -0.02 0.00 0.00 33.50 31.90 3h46 n PRO 97 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3h46 h ILE 98 N 1.97 0.00 -2.05 4.25 3.07 -1.51 -3.46 117.51 119.77 3h46 h ILE 98 Ca -0.50 -0.42 0.30 0.00 1.55 0.00 0.00 64.86 65.79 3h46 h ILE 98 Cb 1.28 1.29 -0.07 0.00 -0.27 0.00 0.00 36.82 39.05 3h46 h ILE 98 CO 0.59 0.00 0.81 0.00 -1.05 0.00 0.00 178.15 178.51 3h46 s ALA 99 N -3.34 -2.23 0.67 0.16 0.00 -1.26 -5.06 121.76 110.70 3h46 s ALA 99 Ca 0.05 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.96 3h46 s ALA 99 Cb 0.09 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.95 3h46 s ALA 99 CO 0.49 -1.11 1.15 0.09 0.00 0.00 0.00 175.76 176.38 3h46 n ASN 100 N -0.95 1.35 -4.77 0.00 3.02 -1.26 -4.80 115.26 107.86 3h46 n ASN 100 Ca -0.01 0.76 -0.38 0.00 -0.03 0.00 0.00 54.58 54.93 3h46 n ASN 100 Cb 0.60 -1.49 -0.00 0.00 -0.61 0.00 0.00 39.78 38.28 3h46 n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h46 s ALA 101 N -1.58 3.02 -0.25 5.41 0.00 0.14 -4.89 121.76 123.61 3h46 s ALA 101 Ca 0.79 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 53.69 3h46 s ALA 101 Cb -0.37 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 3h46 s ALA 101 CO 0.45 -0.78 0.19 0.42 0.00 0.00 0.00 175.76 176.04 3h46 s ILE 102 N -1.44 5.33 0.53 0.00 1.01 -0.44 -1.77 121.20 124.41 3h46 s ILE 102 Ca 0.63 0.23 -0.17 0.00 0.00 0.00 0.00 60.65 61.33 3h46 s ILE 102 Cb -0.32 -3.53 -0.07 0.00 0.01 0.00 0.00 42.46 38.55 3h46 s ILE 102 CO 0.40 0.30 1.01 -0.69 0.00 0.00 0.00 174.94 175.96 3h46 s VAL 103 N 1.33 4.14 0.46 2.92 1.01 -0.72 -1.36 120.40 128.17 3h46 s VAL 103 Ca 0.08 1.11 0.22 0.00 0.00 0.00 0.00 61.98 63.39 3h46 s VAL 103 Cb -0.14 -3.54 0.41 0.00 0.00 0.00 0.00 36.38 33.10 3h46 s VAL 103 CO 0.07 -0.50 1.87 4.11 0.00 0.00 0.00 175.10 180.65 3h46 h TRP 104 N 0.99 0.37 0.00 5.22 5.08 -1.83 -0.61 115.95 125.18 3h46 h TRP 104 Ca -0.48 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.49 3h46 h TRP 104 Cb 1.20 -0.11 -0.00 0.00 -3.00 0.00 0.00 29.16 27.25 3h46 h TRP 104 CO 0.61 0.10 -0.09 1.96 -1.28 0.00 0.00 178.44 179.73 3h46 h GLN 105 N 0.28 0.00 -6.85 0.12 4.20 -1.90 -3.41 115.11 107.54 3h46 h GLN 105 Ca 0.44 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.65 3h46 h GLN 105 Cb 1.29 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.11 3h46 h GLN 105 CO -0.12 0.09 0.52 0.45 -0.67 0.00 0.00 178.83 179.10 3h46 s SER 106 N -6.28 7.00 -0.09 1.46 0.15 -0.24 -4.81 113.70 110.89 3h46 s SER 106 Ca -0.04 2.39 0.15 0.00 0.70 0.00 0.00 55.95 59.15 3h46 s SER 106 Cb 0.14 -2.63 0.51 0.00 -1.71 0.00 0.00 66.02 62.33 3h46 s SER 106 CO 0.59 -0.35 1.43 0.54 1.20 0.00 0.00 173.24 176.65 3h46 n ARG 107 N 0.86 3.17 0.23 5.44 1.74 -0.03 -4.55 116.66 123.52 3h46 n ARG 107 Ca 0.00 -2.57 0.08 0.00 -0.77 0.00 0.00 57.85 54.59 3h46 n ARG 107 Cb 0.44 -1.65 0.56 0.00 -1.02 0.00 0.00 32.46 30.79 3h46 n ARG 107 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 3h46 h GLN 108 N 2.63 0.00 -0.46 5.56 3.07 -1.93 -2.25 115.11 121.74 3h46 h GLN 108 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3h46 h GLN 108 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 3h46 h GLN 108 CO 0.14 0.20 0.00 -1.13 0.09 0.00 0.00 178.83 178.13 3h46 n SER 109 N -3.98 2.43 -0.33 0.06 3.41 -1.26 -4.47 113.62 109.47 3h46 n SER 109 Ca -0.02 -2.05 0.01 0.00 -0.26 0.00 0.00 58.87 56.55 3h46 n SER 109 Cb 0.28 -0.32 0.19 0.00 -0.26 0.00 0.00 64.21 64.10 3h46 n SER 109 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3h46 h SER 110 N 2.48 1.01 -0.68 4.04 0.02 -1.75 -1.52 113.55 117.16 3h46 h SER 110 Ca 0.00 -0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.07 3h46 h SER 110 Cb 0.65 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3h46 h SER 110 CO 0.03 0.69 0.46 -0.65 -1.14 0.00 0.00 176.83 176.21 3h46 h PRO 111 N 1.17 0.37 -0.02 3.45 0.11 -1.83 0.32 132.00 135.57 3h46 h PRO 111 Ca 0.38 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 66.21 3h46 h PRO 111 Cb 0.03 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.08 3h46 h PRO 111 CO -0.12 0.24 -1.00 0.82 -0.21 0.00 0.00 178.00 177.74 3h46 h ILE 112 N 0.38 1.29 0.00 4.15 2.04 -1.63 -2.10 117.51 121.64 3h46 h ILE 112 Ca 0.32 -2.22 -0.00 0.00 1.00 0.00 0.00 64.86 63.96 3h46 h ILE 112 Cb 0.74 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3h46 h ILE 112 CO -0.09 0.69 -0.00 0.00 0.00 0.00 0.00 178.15 178.74 3h46 h ALA 113 N 0.46 -0.00 -0.72 1.87 0.00 -0.88 -2.15 119.26 117.85 3h46 h ALA 113 Ca -0.11 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.81 3h46 h ALA 113 Cb 1.64 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.33 3h46 h ALA 113 CO 0.19 -0.36 0.17 -0.44 0.00 0.00 0.00 179.25 178.81 3h46 h ASP 114 N -0.28 0.01 -0.74 0.00 3.32 -0.45 -1.76 116.42 116.52 3h46 h ASP 114 Ca -0.00 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 3h46 h ASP 114 Cb 0.28 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3h46 h ASP 114 CO 0.00 -0.03 0.26 -0.61 -1.72 0.00 0.00 179.24 177.14 3h46 h GLN 115 N 0.27 1.14 -0.65 3.56 5.75 -1.23 -0.99 115.11 122.97 3h46 h GLN 115 Ca 0.40 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3h46 h GLN 115 Cb 0.67 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 3h46 h GLN 115 CO -0.50 0.95 0.41 -0.07 -2.65 0.00 0.00 178.83 176.97 3h46 h LEU 116 N 1.09 0.75 -0.03 -2.39 3.38 -0.73 -0.56 115.31 116.82 3h46 h LEU 116 Ca 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3h46 h LEU 116 Cb 0.27 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3h46 h LEU 116 CO -0.01 0.57 -0.01 0.11 0.09 0.00 0.00 178.44 179.18 3h46 h LYS 117 N 0.88 0.07 -0.66 1.13 1.57 -0.75 -2.22 116.57 116.59 3h46 h LYS 117 Ca 0.23 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 3h46 h LYS 117 Cb -0.07 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3h46 h LYS 117 CO -0.05 0.45 0.43 0.28 -0.57 0.00 0.00 179.45 180.00 3h46 h VAL 118 N -0.32 1.03 -0.02 0.50 2.07 -0.96 0.61 116.25 119.17 3h46 h VAL 118 Ca 0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3h46 h VAL 118 Cb 0.43 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3h46 h VAL 118 CO 0.00 0.13 0.00 0.47 0.02 0.00 0.00 177.57 178.19 3h46 n ASP 119 N -4.47 0.21 0.00 0.57 9.92 -0.24 -4.94 116.55 117.61 3h46 n ASP 119 Ca 0.09 -1.34 0.00 0.00 -0.53 0.00 0.00 54.79 53.01 3h46 n ASP 119 Cb 0.21 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 3h46 n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3h46 n GLY 120 N 0.89 0.61 0.64 0.44 0.00 0.21 -4.99 105.19 102.99 3h46 n GLY 120 Ca 0.17 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.53 3h46 n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h46 n HIS 121 N -3.31 0.00 -0.17 1.61 8.25 -0.86 -4.51 115.22 116.24 3h46 n HIS 121 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 3h46 n HIS 121 Cb 0.30 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.42 3h46 n HIS 121 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3h46 h THR 122 N 3.13 0.34 -0.27 1.59 2.02 -1.85 -1.48 112.91 116.38 3h46 h THR 122 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3h46 h THR 122 Cb 0.76 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3h46 h THR 122 CO 0.00 0.00 0.02 -0.08 0.37 0.00 0.00 175.52 175.83 3h46 h GLU 123 N -0.10 0.46 -0.45 6.66 4.81 -1.98 -1.09 114.58 122.88 3h46 h GLU 123 Ca 0.24 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3h46 h GLU 123 Cb 0.47 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 3h46 h GLU 123 CO -0.58 0.61 0.26 1.98 -0.73 0.00 0.00 179.01 180.54 3h46 h MET 124 N 0.25 0.51 -0.34 1.92 4.05 -1.78 -1.66 114.93 117.88 3h46 h MET 124 Ca 0.08 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3h46 h MET 124 Cb 0.39 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 3h46 h MET 124 CO 0.01 0.34 0.18 0.82 0.23 0.00 0.00 176.91 178.48 3h46 h ILE 125 N 0.52 1.15 -0.73 1.77 1.08 -1.10 -2.51 117.51 117.69 3h46 h ILE 125 Ca 0.18 -0.41 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 3h46 h ILE 125 Cb 0.03 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 3h46 h ILE 125 CO -0.09 0.15 0.33 -0.74 -0.69 0.00 0.00 178.15 177.11 3h46 h HIS 126 N 0.42 1.05 -0.44 1.37 2.76 -0.96 -1.49 115.15 117.86 3h46 h HIS 126 Ca 0.12 -0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 3h46 h HIS 126 Cb 0.09 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 3h46 h HIS 126 CO -0.02 0.77 -0.07 0.93 -1.30 0.00 0.00 177.93 178.24 3h46 h GLU 127 N 1.03 0.76 0.14 5.26 5.08 -1.01 -1.28 114.58 124.56 3h46 h GLU 127 Ca 0.25 -0.23 -0.29 0.00 -1.00 0.00 0.00 59.36 58.09 3h46 h GLU 127 Cb 0.13 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.33 3h46 h GLU 127 CO -0.03 0.81 -1.27 0.87 -1.00 0.00 0.00 179.01 178.40 3h46 h LYS 128 N 0.70 0.45 0.00 2.33 1.57 -1.36 -3.42 116.57 116.84 3h46 h LYS 128 Ca 0.13 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3h46 h LYS 128 Cb 0.52 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3h46 h LYS 128 CO 0.03 1.30 -0.97 0.25 -0.57 0.00 0.00 179.45 179.50 3h46 n THR 129 N -3.67 0.00 -0.61 -0.16 -2.24 -0.57 -0.93 114.28 106.09 3h46 n THR 129 Ca -0.12 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3h46 n THR 129 Cb 1.01 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3h46 n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h46 n GLY 130 N 1.76 1.71 0.63 3.38 0.00 -0.49 -4.72 105.19 107.47 3h46 n GLY 130 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3h46 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h46 n LEU 131 N 0.00 0.00 -4.26 0.99 4.77 -1.26 -1.33 117.00 115.91 3h46 n LEU 131 Ca 0.00 -0.41 -0.23 0.00 -0.03 0.00 0.00 56.01 55.34 3h46 n LEU 131 Cb 0.00 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 3h46 n LEU 131 CO 0.00 -0.53 -0.50 0.68 -1.33 0.00 0.00 177.39 175.71 3h46 s VAL 132 N 0.39 1.57 -0.36 4.08 -7.23 -1.26 -4.04 120.40 113.54 3h46 s VAL 132 Ca 0.10 -1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 58.53 3h46 s VAL 132 Cb -0.01 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 3h46 s VAL 132 CO 0.06 -0.08 1.91 -0.63 -0.31 0.00 0.00 175.10 176.05 3h46 s ILE 133 N -1.15 3.36 -0.02 -0.62 1.01 -1.26 -4.92 121.20 117.59 3h46 s ILE 133 Ca 0.05 0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.82 3h46 s ILE 133 Cb -0.10 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.86 3h46 s ILE 133 CO 0.04 -0.40 0.49 -0.62 0.00 0.00 0.00 174.94 174.45 3h46 s ASP 134 N 7.08 -0.42 0.47 3.58 2.15 -1.26 -4.92 116.67 123.35 3h46 s ASP 134 Ca 0.82 0.37 0.26 0.00 0.43 0.00 0.00 52.55 54.44 3h46 s ASP 134 Cb -0.22 0.43 1.43 0.00 -0.30 0.00 0.00 42.92 44.25 3h46 s ASP 134 CO 0.32 -0.55 1.78 0.00 -0.17 0.00 0.00 175.17 176.55 3h46 h ALA 135 N 3.37 1.12 -0.72 3.66 0.00 -1.90 -3.05 119.26 121.74 3h46 h ALA 135 Ca -0.29 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.76 3h46 h ALA 135 Cb 1.16 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 3h46 h ALA 135 CO 0.40 -0.12 0.27 -0.92 0.00 0.00 0.00 179.25 178.88 3h46 h TYR 136 N 0.00 0.46 -3.62 0.00 3.20 -1.80 -3.45 116.97 111.76 3h46 h TYR 136 Ca 0.00 0.04 -0.46 0.00 3.14 0.00 0.00 58.73 61.44 3h46 h TYR 136 Cb 0.30 -0.09 0.06 0.00 1.54 0.00 0.00 36.73 38.54 3h46 h TYR 136 CO 0.00 0.05 0.18 -0.06 -1.64 0.00 0.00 178.16 176.70 3h46 s PHE 137 N -6.04 3.08 0.33 -3.82 0.08 -1.15 -4.65 117.98 105.82 3h46 s PHE 137 Ca -0.13 0.51 0.07 0.00 0.12 0.00 0.00 56.93 57.50 3h46 s PHE 137 Cb 0.20 -2.93 0.58 0.00 -0.57 0.00 0.00 43.02 40.30 3h46 s PHE 137 CO 0.76 -1.07 1.80 0.77 -0.10 0.00 0.00 175.22 177.37 3h46 h SER 138 N -0.34 0.31 -0.11 1.36 0.02 -1.54 -3.34 113.55 109.90 3h46 h SER 138 Ca -0.45 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 60.45 3h46 h SER 138 Cb 1.28 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 3h46 h SER 138 CO 0.60 0.56 -0.12 0.00 -1.14 0.00 0.00 176.83 176.73 3h46 h ALA 139 N 1.47 -0.04 0.00 3.77 0.00 -0.93 -0.30 119.26 123.23 3h46 h ALA 139 Ca 0.05 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3h46 h ALA 139 Cb 0.58 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3h46 h ALA 139 CO 0.04 -0.57 -0.27 1.79 0.00 0.00 0.00 179.25 180.24 3h46 h THR 140 N -0.15 0.62 -0.15 0.00 1.35 -1.86 -1.86 112.91 110.87 3h46 h THR 140 Ca 0.08 -1.28 -0.01 0.00 -0.55 0.00 0.00 66.41 64.65 3h46 h THR 140 Cb 0.27 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3h46 h THR 140 CO -0.20 0.26 0.05 0.11 -0.25 0.00 0.00 175.52 175.49 3h46 h LYS 141 N 0.00 0.24 -0.17 4.72 1.57 -1.34 0.80 116.57 122.39 3h46 h LYS 141 Ca -0.00 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3h46 h LYS 141 Cb 0.83 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 3h46 h LYS 141 CO 0.03 0.37 -0.09 0.28 -0.57 0.00 0.00 179.45 179.48 3h46 h VAL 142 N 0.07 0.72 -0.63 0.50 2.07 -0.90 -1.63 116.25 116.44 3h46 h VAL 142 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 3h46 h VAL 142 Cb 0.23 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3h46 h VAL 142 CO -0.00 0.00 0.31 -0.09 0.02 0.00 0.00 177.57 177.81 3h46 h ARG 143 N -0.08 0.54 -0.51 1.57 9.65 -1.19 -1.04 114.38 123.31 3h46 h ARG 143 Ca 0.10 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 59.01 3h46 h ARG 143 Cb 0.22 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.62 3h46 h ARG 143 CO -0.22 0.36 0.19 2.35 2.80 0.00 0.00 179.97 185.45 3h46 h TRP 144 N 0.55 0.34 -0.50 2.20 7.01 -0.55 0.16 115.95 125.17 3h46 h TRP 144 Ca 0.30 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.24 3h46 h TRP 144 Cb 0.27 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3h46 h TRP 144 CO -0.11 0.12 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.54 3h46 h LEU 145 N 0.38 0.84 -0.11 0.65 3.38 -0.61 -0.69 115.31 119.15 3h46 h LEU 145 Ca 0.24 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h46 h LEU 145 Cb 0.25 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3h46 h LEU 145 CO -0.24 0.93 0.00 -0.07 0.09 0.00 0.00 178.44 179.15 3h46 h LEU 146 N 0.79 0.00 0.20 1.67 3.38 -0.82 -1.60 115.31 118.93 3h46 h LEU 146 Ca 0.14 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.79 3h46 h LEU 146 Cb 0.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.30 3h46 h LEU 146 CO 0.03 0.00 -1.50 0.44 0.09 0.00 0.00 178.44 177.50 3h46 h ASP 147 N 0.00 0.65 0.00 -0.43 3.32 -0.63 -3.34 116.42 115.98 3h46 h ASP 147 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.28 3h46 h ASP 147 Cb 0.84 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3h46 h ASP 147 CO 0.00 1.62 -1.59 0.59 -1.72 0.00 0.00 179.24 178.14 3h46 n ASN 148 N -3.61 2.04 -4.55 6.45 3.02 -0.29 -4.85 115.26 113.47 3h46 n ASN 148 Ca -0.17 -0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.96 3h46 n ASN 148 Cb 1.07 1.59 -0.07 0.00 -0.61 0.00 0.00 39.78 41.76 3h46 n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h46 s ILE 149 N -2.90 4.93 -0.00 2.41 -1.09 -0.61 -5.00 121.20 118.94 3h46 s ILE 149 Ca -0.05 0.32 -0.35 0.00 -2.23 0.00 0.00 60.65 58.35 3h46 s ILE 149 Cb 0.08 -4.06 -0.13 0.00 -1.58 0.00 0.00 42.46 36.76 3h46 s ILE 149 CO 0.54 -0.35 1.70 -0.62 -1.23 0.00 0.00 174.94 174.98 3h46 n GLU 150 N 5.96 1.94 -0.08 2.79 -0.58 -1.26 -1.31 120.64 128.09 3h46 n GLU 150 Ca -0.03 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 3h46 n GLU 150 Cb 0.48 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 3h46 n GLU 150 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h46 n GLY 151 N 3.83 2.07 0.23 0.62 0.00 -1.26 -4.91 105.19 105.76 3h46 n GLY 151 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 3h46 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h46 h ALA 152 N 0.00 0.73 -0.90 4.61 0.00 -1.49 -1.99 119.26 120.21 3h46 h ALA 152 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3h46 h ALA 152 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3h46 h ALA 152 CO 0.00 0.03 0.60 0.37 0.00 0.00 0.00 179.25 180.24 3h46 h GLN 153 N 0.63 1.19 -0.36 0.00 5.75 -1.79 -0.72 115.11 119.82 3h46 h GLN 153 Ca 0.23 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.52 3h46 h GLN 153 Cb 0.07 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 3h46 h GLN 153 CO -0.12 0.79 -0.34 1.49 -2.65 0.00 0.00 178.83 178.00 3h46 h GLU 154 N 1.22 0.80 -0.53 1.69 4.81 -1.86 -0.58 114.58 120.14 3h46 h GLU 154 Ca 0.33 -0.39 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 3h46 h GLU 154 Cb -0.14 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3h46 h GLU 154 CO -0.07 1.02 0.02 0.87 -0.73 0.00 0.00 179.01 180.11 3h46 h LYS 155 N 0.67 0.93 -0.75 1.92 1.57 -1.00 -2.23 116.57 117.68 3h46 h LYS 155 Ca 0.07 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3h46 h LYS 155 Cb 0.89 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 3h46 h LYS 155 CO 0.08 0.94 0.45 0.00 -0.57 0.00 0.00 179.45 180.35 3h46 h ALA 156 N 0.96 0.96 0.00 3.86 0.00 -1.03 -1.16 119.26 122.84 3h46 h ALA 156 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h46 h ALA 156 Cb 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3h46 h ALA 156 CO 0.02 0.43 0.00 -0.44 0.00 0.00 0.00 179.25 179.26 3h46 h ASP 157 N 1.03 0.00 -0.45 0.00 3.32 -0.94 -2.62 116.42 116.76 3h46 h ASP 157 Ca 0.27 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3h46 h ASP 157 Cb -0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3h46 h ASP 157 CO -0.05 0.00 0.04 0.59 -1.72 0.00 0.00 179.24 178.10 3h46 n ASN 158 N -2.69 4.59 -1.49 6.45 3.02 -0.79 -4.97 115.26 119.39 3h46 n ASN 158 Ca 0.00 -3.07 -0.18 0.00 -0.03 0.00 0.00 54.58 51.31 3h46 n ASN 158 Cb 0.21 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.69 3h46 n ASN 158 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h46 n GLY 159 N -0.11 1.32 0.02 7.41 0.00 -0.99 -4.88 105.19 107.96 3h46 n GLY 159 Ca 0.27 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3h46 n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h46 n GLU 160 N -2.53 0.40 -4.61 1.61 1.02 -0.51 -4.92 120.64 111.11 3h46 n GLU 160 Ca -0.18 -0.07 -0.31 0.00 -0.02 0.00 0.00 57.16 56.57 3h46 n GLU 160 Cb 0.60 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 30.33 3h46 n GLU 160 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h46 s LEU 161 N -4.09 2.79 0.12 -4.62 1.43 -1.25 -0.23 118.68 112.83 3h46 s LEU 161 Ca -0.00 -0.33 0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3h46 s LEU 161 Cb 0.14 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 3h46 s LEU 161 CO 0.86 0.27 -0.27 -0.76 0.23 0.00 0.00 176.35 176.68 3h46 s LEU 162 N -1.40 2.30 0.01 1.79 1.43 0.86 -4.24 118.68 119.42 3h46 s LEU 162 Ca 0.15 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3h46 s LEU 162 Cb -0.11 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 3h46 s LEU 162 CO 0.06 0.18 0.11 0.12 0.23 0.00 0.00 176.35 177.06 3h46 s PHE 163 N -1.04 3.36 -0.06 0.29 5.36 -0.12 -0.20 117.98 125.57 3h46 s PHE 163 Ca 0.14 0.24 -0.31 0.00 -0.96 0.00 0.00 56.93 56.04 3h46 s PHE 163 Cb -0.10 -1.75 0.08 0.00 -0.34 0.00 0.00 43.02 40.91 3h46 s PHE 163 CO 0.06 0.58 0.72 0.20 -1.46 0.00 0.00 175.22 175.31 3h46 s GLY 164 N -1.89 -0.54 1.10 13.12 0.00 -0.01 -4.36 107.32 114.74 3h46 s GLY 164 Ca 0.25 1.38 -0.18 0.00 0.00 0.00 0.00 44.72 46.18 3h46 s GLY 164 CO 0.17 0.94 1.19 -0.51 0.00 0.00 0.00 173.10 174.88 3h46 s THR 165 N -1.28 1.76 0.25 0.90 -4.23 -1.26 -1.25 115.64 110.54 3h46 s THR 165 Ca -0.09 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.39 3h46 s THR 165 Cb -0.00 -2.69 0.10 0.00 1.34 0.00 0.00 72.50 71.25 3h46 s THR 165 CO 0.08 0.00 1.74 0.40 -0.54 0.00 0.00 174.62 176.30 3h46 h ILE 166 N -2.19 1.25 -0.36 2.99 1.08 -1.79 -1.53 117.51 116.95 3h46 h ILE 166 Ca -0.45 -1.06 0.08 0.00 -0.39 0.00 0.00 64.86 63.04 3h46 h ILE 166 Cb 1.27 0.92 -0.08 0.00 -3.07 0.00 0.00 36.82 35.87 3h46 h ILE 166 CO 0.37 0.37 -0.15 -2.24 -0.69 0.00 0.00 178.15 175.80 3h46 h ASP 167 N 0.74 -0.53 -0.26 1.72 2.03 -1.93 -0.34 116.42 117.86 3h46 h ASP 167 Ca 0.14 0.13 -0.02 0.00 -0.73 0.00 0.00 57.03 56.55 3h46 h ASP 167 Cb 0.50 0.30 -0.01 0.00 -0.83 0.00 0.00 39.33 39.28 3h46 h ASP 167 CO 0.03 -0.19 0.09 -1.28 -1.03 0.00 0.00 179.24 176.86 3h46 h SER 168 N -0.09 0.36 -0.33 4.15 0.87 -1.58 -1.31 113.55 115.63 3h46 h SER 168 Ca 0.18 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3h46 h SER 168 Cb 0.36 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.17 3h46 h SER 168 CO -0.42 0.45 -0.02 -0.25 -0.53 0.00 0.00 176.83 176.06 3h46 h TRP 169 N 0.26 -0.05 -0.43 2.24 2.91 -1.11 -0.61 115.95 119.15 3h46 h TRP 169 Ca 0.08 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.09 3h46 h TRP 169 Cb 0.21 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.92 3h46 h TRP 169 CO -0.00 -0.08 0.11 -0.07 -1.03 0.00 0.00 178.44 177.37 3h46 h LEU 170 N 0.07 0.64 -0.79 0.65 3.38 -0.79 -0.97 115.31 117.50 3h46 h LEU 170 Ca 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3h46 h LEU 170 Cb 0.23 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3h46 h LEU 170 CO -0.29 0.70 0.44 0.58 0.09 0.00 0.00 178.44 179.96 3h46 h VAL 171 N 0.55 1.23 -0.16 1.22 2.07 -1.12 0.11 116.25 120.15 3h46 h VAL 171 Ca 0.13 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.14 3h46 h VAL 171 Cb 0.31 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 3h46 h VAL 171 CO 0.00 0.26 -0.28 -0.25 0.02 0.00 0.00 177.57 177.32 3h46 h TRP 172 N 1.09 -0.75 -0.15 1.57 2.91 -0.91 -0.57 115.95 119.15 3h46 h TRP 172 Ca 0.28 0.04 0.03 0.00 1.13 0.00 0.00 58.89 60.36 3h46 h TRP 172 Cb 0.02 0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 3h46 h TRP 172 CO 0.00 -0.36 -0.02 0.87 -1.03 0.00 0.00 178.44 177.90 3h46 h LYS 173 N -0.33 0.02 -0.23 2.65 1.79 -0.56 0.11 116.57 120.02 3h46 h LYS 173 Ca 0.11 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 3h46 h LYS 173 Cb 0.50 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 3h46 h LYS 173 CO -0.35 0.01 0.03 -0.07 -1.08 0.00 0.00 179.45 177.99 3h46 h LEU 174 N 0.02 0.31 -2.44 2.94 3.38 -0.62 -2.10 115.31 116.79 3h46 h LEU 174 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h46 h LEU 174 Cb 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3h46 h LEU 174 CO -0.14 0.34 0.00 0.35 0.09 0.00 0.00 178.44 179.08 3h46 n THR 175 N -4.37 1.27 -4.20 0.22 -2.24 -0.24 -1.06 114.28 103.66 3h46 n THR 175 Ca 0.00 -0.89 -0.30 0.00 -2.27 0.00 0.00 64.05 60.59 3h46 n THR 175 Cb 0.18 0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 3h46 n THR 175 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h46 n ASP 176 N 0.95 0.56 0.00 3.42 2.03 -0.79 -1.55 116.55 121.18 3h46 n ASP 176 Ca 0.20 -1.18 0.00 0.00 0.52 0.00 0.00 54.79 54.33 3h46 n ASP 176 Cb 0.67 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 3h46 n ASP 176 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h46 n GLY 177 N -2.29 0.93 0.10 0.27 0.00 0.34 -4.93 105.19 99.61 3h46 n GLY 177 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 3h46 n GLY 177 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3h46 h GLN 178 N 3.77 0.00 -4.78 1.61 4.20 -1.51 -3.44 115.11 114.96 3h46 h GLN 178 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 3h46 h GLN 178 Cb 0.00 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 27.44 3h46 h GLN 178 CO 0.00 0.80 -0.84 0.08 -0.67 0.00 0.00 178.83 178.20 3h46 s VAL 179 N -3.12 1.52 -0.53 -0.54 1.01 -1.26 -5.07 120.40 112.41 3h46 s VAL 179 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3h46 s VAL 179 Cb 0.11 -1.38 0.13 0.00 0.00 0.00 0.00 36.38 35.24 3h46 s VAL 179 CO 0.79 0.44 0.28 -2.28 0.00 0.00 0.00 175.10 174.33 3h46 s HIS 180 N 0.92 3.10 0.11 5.22 2.46 -1.26 -3.42 115.29 122.42 3h46 s HIS 180 Ca -0.08 -3.12 0.03 0.00 0.47 0.00 0.00 55.06 52.36 3h46 s HIS 180 Cb -0.15 -2.71 -0.04 0.00 -0.13 0.00 0.00 32.58 29.54 3h46 s HIS 180 CO -0.01 -0.73 -0.09 0.54 -2.47 0.00 0.00 174.74 171.99 3h46 s VAL 181 N -0.35 0.93 0.06 0.89 0.11 -1.26 -2.01 120.40 118.77 3h46 s VAL 181 Ca 0.18 -1.89 -0.03 0.00 -2.93 0.00 0.00 61.98 57.30 3h46 s VAL 181 Cb -0.24 -1.64 -0.03 0.00 -1.53 0.00 0.00 36.38 32.94 3h46 s VAL 181 CO -0.02 -0.74 0.04 0.28 -3.33 0.00 0.00 175.10 171.34 3h46 s THR 182 N -3.17 0.20 0.48 5.04 -1.32 -0.37 -4.00 115.64 112.50 3h46 s THR 182 Ca 0.12 -1.61 0.01 0.00 -1.21 0.00 0.00 61.69 58.99 3h46 s THR 182 Cb 0.02 -1.46 0.01 0.00 -1.51 0.00 0.00 72.50 69.56 3h46 s THR 182 CO -0.01 -0.89 0.70 1.51 -2.21 0.00 0.00 174.62 173.71 3h46 s ASP 183 N -2.90 5.62 0.32 8.08 -4.77 -1.26 -0.67 116.67 121.09 3h46 s ASP 183 Ca 0.06 0.13 0.08 0.00 -3.30 0.00 0.00 52.55 49.52 3h46 s ASP 183 Cb 0.07 -1.24 0.81 0.00 -1.09 0.00 0.00 42.92 41.47 3h46 s ASP 183 CO -0.10 -0.86 1.78 1.88 0.70 0.00 0.00 175.17 178.57 3h46 h TYR 184 N 0.31 1.00 -0.13 2.11 0.05 -1.45 -0.50 116.97 118.36 3h46 h TYR 184 Ca -0.44 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.28 3h46 h TYR 184 Cb 1.27 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.71 3h46 h TYR 184 CO 0.42 0.20 -0.27 0.66 -1.05 0.00 0.00 178.16 178.11 3h46 h SER 185 N 0.69 0.47 -0.26 3.88 4.64 -1.85 -0.68 113.55 120.43 3h46 h SER 185 Ca 0.58 -0.56 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 3h46 h SER 185 Cb 1.00 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 3h46 h SER 185 CO -0.37 0.94 -0.00 0.78 -0.87 0.00 0.00 176.83 177.30 3h46 h ASN 186 N 0.01 0.46 -0.95 4.97 2.35 -1.83 -3.03 115.58 117.57 3h46 h ASN 186 Ca 0.00 -0.31 0.13 0.00 -0.55 0.00 0.00 56.30 55.57 3h46 h ASN 186 Cb 0.87 -0.12 -0.09 0.00 0.05 0.00 0.00 38.32 39.03 3h46 h ASN 186 CO 0.06 0.66 0.57 0.00 -1.65 0.00 0.00 177.43 177.07 3h46 h ALA 187 N 0.82 1.43 0.00 -0.83 0.00 -1.02 -1.94 119.26 117.72 3h46 h ALA 187 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h46 h ALA 187 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h46 h ALA 187 CO 0.01 0.13 0.00 0.66 0.00 0.00 0.00 179.25 180.06 3h46 h SER 188 N 0.88 0.00 0.26 0.00 4.64 -0.99 -2.06 113.55 116.29 3h46 h SER 188 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3h46 h SER 188 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3h46 h SER 188 CO -0.29 0.00 -0.41 0.54 -0.87 0.00 0.00 176.83 175.80 3h46 n ARG 189 N -2.58 0.58 0.17 4.77 5.12 -0.73 -4.22 116.66 119.77 3h46 n ARG 189 Ca -0.01 -0.37 0.06 0.00 -1.93 0.00 0.00 57.85 55.59 3h46 n ARG 189 Cb 0.10 -1.49 0.19 0.00 -1.16 0.00 0.00 32.46 30.10 3h46 n ARG 189 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3h46 h THR 190 N 0.91 0.71 -0.66 0.55 1.35 -1.44 -3.25 112.91 111.09 3h46 h THR 190 Ca 0.00 -1.74 -0.25 0.00 -0.55 0.00 0.00 66.41 63.87 3h46 h THR 190 Cb 0.53 2.15 -0.09 0.00 -1.73 0.00 0.00 68.15 69.01 3h46 h THR 190 CO 0.00 0.36 -0.23 0.80 -0.25 0.00 0.00 175.52 176.20 3h46 n MET 191 N -3.29 -0.86 0.00 4.72 1.56 -1.26 -0.24 117.12 117.74 3h46 n MET 191 Ca 0.01 0.91 0.01 0.00 -0.27 0.00 0.00 57.70 58.36 3h46 n MET 191 Cb 0.61 -4.94 0.00 0.00 2.15 0.00 0.00 33.22 31.04 3h46 n MET 191 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3h46 n LEU 192 N -1.42 0.92 -4.34 -0.89 4.77 -1.26 -4.82 117.00 109.95 3h46 n LEU 192 Ca -0.12 -0.92 -0.33 0.00 -0.03 0.00 0.00 56.01 54.61 3h46 n LEU 192 Cb 0.42 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.36 3h46 n LEU 192 CO 0.19 0.22 -0.46 -0.47 -1.33 0.00 0.00 177.39 175.53 3h46 s TYR 193 N -0.26 2.78 -0.39 -1.77 5.04 -1.26 -0.74 117.35 120.75 3h46 s TYR 193 Ca 0.01 -0.72 -0.24 0.00 -2.44 0.00 0.00 57.07 53.68 3h46 s TYR 193 Cb 0.01 -1.83 0.02 0.00 0.35 0.00 0.00 41.96 40.50 3h46 s TYR 193 CO 0.02 -0.26 0.81 1.21 -1.34 0.00 0.00 175.55 175.99 3h46 s ASN 194 N 0.40 6.53 0.25 4.32 3.84 0.52 -4.33 114.94 126.46 3h46 s ASN 194 Ca -0.11 0.25 0.26 0.00 0.21 0.00 0.00 52.86 53.47 3h46 s ASN 194 Cb -0.16 -2.41 0.78 0.00 -0.55 0.00 0.00 41.25 38.91 3h46 s ASN 194 CO 0.06 -0.82 1.75 0.16 -2.79 0.00 0.00 177.10 175.46 3h46 h ILE 195 N 5.85 0.00 0.03 -5.21 3.07 -1.32 -0.25 117.51 119.67 3h46 h ILE 195 Ca -0.24 -0.52 -0.20 0.00 1.55 0.00 0.00 64.86 65.44 3h46 h ILE 195 Cb 1.09 1.50 -0.02 0.00 -0.27 0.00 0.00 36.82 39.12 3h46 h ILE 195 CO 0.94 0.00 -1.07 0.45 -1.05 0.00 0.00 178.15 177.42 3h46 h HIS 196 N 0.00 0.13 0.00 0.16 3.86 -1.90 -3.36 115.15 114.03 3h46 h HIS 196 Ca 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 3h46 h HIS 196 Cb 0.74 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.20 3h46 h HIS 196 CO 0.00 1.42 -0.04 1.63 0.86 0.00 0.00 177.93 181.80 3h46 n LYS 197 N -4.30 0.04 -3.47 2.45 5.02 -1.25 -4.97 118.16 111.68 3h46 n LYS 197 Ca -0.26 0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 55.87 3h46 n LYS 197 Cb 0.71 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 34.20 3h46 n LYS 197 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h46 n LEU 198 N -1.61 -4.13 -3.47 -0.35 4.77 -0.13 -5.03 117.00 107.05 3h46 n LEU 198 Ca 0.07 -0.72 -0.11 0.00 -0.03 0.00 0.00 56.01 55.22 3h46 n LEU 198 Cb 0.35 -2.62 -0.02 0.00 -2.33 0.00 0.00 43.42 38.79 3h46 n LEU 198 CO 0.28 -0.02 0.55 -1.83 -1.33 0.00 0.00 177.39 175.04 3h46 s GLU 199 N -4.79 1.02 0.31 3.23 -1.05 -1.03 -5.00 118.70 111.38 3h46 s GLU 199 Ca 0.27 -0.31 -0.30 0.00 -0.15 0.00 0.00 54.97 54.49 3h46 s GLU 199 Cb -0.08 0.47 -0.11 0.00 -0.44 0.00 0.00 34.13 33.97 3h46 s GLU 199 CO 0.82 -0.43 1.59 -1.58 0.95 0.00 0.00 175.26 176.61 3h46 s TRP 200 N -3.13 2.71 -0.43 4.83 0.52 -1.26 -0.36 118.94 121.82 3h46 s TRP 200 Ca 0.02 0.81 -0.20 0.00 0.02 0.00 0.00 56.10 56.74 3h46 s TRP 200 Cb -0.01 -4.08 0.02 0.00 -1.15 0.00 0.00 33.47 28.25 3h46 s TRP 200 CO -0.09 -3.59 0.62 0.34 0.02 0.00 0.00 176.95 174.25 3h46 s ASP 201 N 0.43 6.32 0.30 2.95 2.15 0.08 -4.76 116.67 124.14 3h46 s ASP 201 Ca 0.62 -0.33 0.01 0.00 0.43 0.00 0.00 52.55 53.29 3h46 s ASP 201 Cb -0.48 -2.31 0.47 0.00 -0.30 0.00 0.00 42.92 40.30 3h46 s ASP 201 CO 0.50 -0.73 1.83 -0.61 -0.17 0.00 0.00 175.17 175.99 3h46 h GLN 202 N 8.81 0.69 -0.73 4.34 5.75 -1.91 -1.94 115.11 130.13 3h46 h GLN 202 Ca -0.26 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.05 3h46 h GLN 202 Cb 1.10 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.52 3h46 h GLN 202 CO 0.87 0.67 0.28 1.49 -2.65 0.00 0.00 178.83 179.50 3h46 h GLU 203 N 0.66 1.09 -0.34 1.69 4.81 -1.98 0.52 114.58 121.03 3h46 h GLU 203 Ca 0.14 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 3h46 h GLU 203 Cb 0.34 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3h46 h GLU 203 CO 0.01 0.90 -0.44 0.82 -0.73 0.00 0.00 179.01 179.57 3h46 h ILE 204 N 1.04 1.28 -0.77 2.32 2.04 -1.83 -0.68 117.51 120.91 3h46 h ILE 204 Ca 0.24 -1.61 0.04 0.00 1.00 0.00 0.00 64.86 64.53 3h46 h ILE 204 Cb 0.23 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 3h46 h ILE 204 CO -0.02 0.53 0.48 -0.07 0.00 0.00 0.00 178.15 179.08 3h46 h LEU 205 N 0.69 0.78 -0.20 1.44 3.38 -1.03 -1.60 115.31 118.78 3h46 h LEU 205 Ca 0.04 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3h46 h LEU 205 Cb 1.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 3h46 h LEU 205 CO 0.10 0.53 -0.19 0.44 0.09 0.00 0.00 178.44 179.41 3h46 h ASP 206 N 0.92 0.51 -0.94 -0.43 3.32 -0.73 -1.19 116.42 117.90 3h46 h ASP 206 Ca 0.32 -0.47 0.20 0.00 0.02 0.00 0.00 57.03 57.09 3h46 h ASP 206 Cb 0.07 -0.14 -0.11 0.00 0.22 0.00 0.00 39.33 39.36 3h46 h ASP 206 CO -0.13 0.88 0.51 0.25 -1.72 0.00 0.00 179.24 179.02 3h46 h LEU 207 N 0.15 0.59 -1.58 1.55 5.85 -0.85 -1.87 115.31 119.15 3h46 h LEU 207 Ca 0.03 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3h46 h LEU 207 Cb 0.73 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3h46 h LEU 207 CO 0.05 0.16 0.00 0.18 -0.34 0.00 0.00 178.44 178.49 3h46 n LEU 208 N -4.88 2.43 -3.96 2.25 4.77 -0.63 -4.98 117.00 112.00 3h46 n LEU 208 Ca 0.22 -0.88 -0.29 0.00 -0.03 0.00 0.00 56.01 55.03 3h46 n LEU 208 Cb 0.59 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3h46 n LEU 208 CO 0.18 0.44 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.45 3h46 n ASN 209 N 0.87 -2.74 -4.45 -1.43 5.15 -0.50 -4.87 115.26 107.29 3h46 n ASN 209 Ca 0.17 -0.89 -0.41 0.00 -0.60 0.00 0.00 54.58 52.85 3h46 n ASN 209 Cb 0.49 -3.46 -0.11 0.00 -0.53 0.00 0.00 39.78 36.17 3h46 n ASN 209 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h46 s ILE 210 N -3.52 4.92 0.32 -1.44 1.01 -0.90 -5.05 121.20 116.54 3h46 s ILE 210 Ca 0.41 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 3h46 s ILE 210 Cb -0.21 -3.64 -0.11 0.00 0.01 0.00 0.00 42.46 38.51 3h46 s ILE 210 CO 0.86 -0.13 1.49 -2.84 0.00 0.00 0.00 174.94 174.32 3h46 s PRO 211 N 1.64 4.17 0.37 2.79 0.02 -1.26 -4.72 135.00 138.01 3h46 s PRO 211 Ca 0.04 2.48 0.27 0.00 0.02 0.00 0.00 61.00 63.82 3h46 s PRO 211 Cb -0.18 -3.02 1.16 0.00 0.02 0.00 0.00 34.50 32.48 3h46 s PRO 211 CO 0.08 -0.50 1.82 0.66 -0.33 0.00 0.00 177.00 178.73 3h46 h SER 212 N 3.98 0.00 0.26 2.53 4.64 -1.95 -2.26 113.55 120.74 3h46 h SER 212 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3h46 h SER 212 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3h46 h SER 212 CO 0.71 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.44 3h46 h SER 213 N 0.00 0.00 1.38 4.97 4.64 -1.90 -2.21 113.55 120.44 3h46 h SER 213 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h46 h SER 213 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3h46 h SER 213 CO 0.00 0.00 0.00 0.24 -0.87 0.00 0.00 176.83 176.20 3h46 h MET 214 N 0.00 0.00 -6.51 4.77 2.86 -1.58 -3.46 114.93 111.01 3h46 h MET 214 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 3h46 h MET 214 Cb 0.13 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3h46 h MET 214 CO 0.00 0.00 0.17 -0.51 1.06 0.00 0.00 176.91 177.63 3h46 s LEU 215 N -6.09 4.59 0.84 1.22 1.43 -0.83 -0.95 118.68 118.89 3h46 s LEU 215 Ca 0.04 1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 3h46 s LEU 215 Cb 0.08 -3.28 0.10 0.00 0.03 0.00 0.00 46.19 43.12 3h46 s LEU 215 CO 0.59 0.21 1.10 -2.16 0.23 0.00 0.00 176.35 176.32 3h46 s PRO 216 N -1.14 1.72 0.37 1.29 0.04 -1.26 -5.00 135.00 131.02 3h46 s PRO 216 Ca 0.35 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 61.79 3h46 s PRO 216 Cb -0.23 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 3h46 s PRO 216 CO 0.26 -1.87 0.93 -1.83 0.04 0.00 0.00 177.00 174.53 3h46 s GLU 217 N -5.12 4.39 -0.16 4.56 -1.05 -0.85 -4.80 118.70 115.67 3h46 s GLU 217 Ca 0.62 1.20 -0.08 0.00 -0.15 0.00 0.00 54.97 56.55 3h46 s GLU 217 Cb -0.15 -2.51 -0.04 0.00 -0.44 0.00 0.00 34.13 30.98 3h46 s GLU 217 CO 0.55 0.14 0.12 0.08 0.95 0.00 0.00 175.26 177.10 3h46 s VAL 218 N -1.88 5.33 0.40 1.83 1.01 -1.26 -1.24 120.40 124.59 3h46 s VAL 218 Ca 0.55 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.73 3h46 s VAL 218 Cb -0.14 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3h46 s VAL 218 CO 0.19 0.52 0.16 -0.54 0.00 0.00 0.00 175.10 175.43 3h46 s LYS 219 N -0.27 1.92 1.12 2.72 1.02 0.15 -4.95 119.74 121.45 3h46 s LYS 219 Ca 0.11 -2.17 -0.18 0.00 0.02 0.00 0.00 55.97 53.75 3h46 s LYS 219 Cb -0.12 -0.46 0.25 0.00 -0.52 0.00 0.00 37.83 36.99 3h46 s LYS 219 CO 0.01 -0.52 1.17 -1.54 -0.92 0.00 0.00 175.35 173.55 3h46 s SER 220 N -3.58 1.68 0.00 2.83 1.04 -1.26 -1.29 113.70 113.12 3h46 s SER 220 Ca 0.26 0.56 0.27 0.00 0.48 0.00 0.00 55.95 57.52 3h46 s SER 220 Cb 0.02 -0.77 0.97 0.00 0.10 0.00 0.00 66.02 66.33 3h46 s SER 220 CO 0.16 -3.65 1.69 0.59 0.98 0.00 0.00 173.24 173.02 3h46 n ASN 221 N -4.43 1.10 -3.19 7.02 3.02 -0.24 -4.57 115.26 113.98 3h46 n ASN 221 Ca 0.13 -1.09 -0.17 0.00 -0.03 0.00 0.00 54.58 53.42 3h46 n ASN 221 Cb 0.59 0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.76 3h46 n ASN 221 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3h46 s SER 222 N -2.29 0.44 0.21 6.41 0.15 -1.25 -2.10 113.70 115.27 3h46 s SER 222 Ca 0.31 -2.31 -0.23 0.00 0.70 0.00 0.00 55.95 54.42 3h46 s SER 222 Cb 0.20 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 65.09 3h46 s SER 222 CO 0.44 -0.15 0.72 -1.83 1.20 0.00 0.00 173.24 173.61 3h46 s GLU 223 N 0.63 1.51 -0.48 5.44 -1.05 -0.93 -4.64 118.70 119.18 3h46 s GLU 223 Ca 0.28 -0.75 -0.27 0.00 -0.15 0.00 0.00 54.97 54.08 3h46 s GLU 223 Cb -0.02 0.57 0.03 0.00 -0.44 0.00 0.00 34.13 34.27 3h46 s GLU 223 CO -0.11 -0.68 1.05 0.08 0.95 0.00 0.00 175.26 176.55 3h46 s VAL 224 N -3.75 4.31 -0.02 1.83 1.01 -1.26 -4.19 120.40 118.32 3h46 s VAL 224 Ca 0.08 0.98 0.11 0.00 0.00 0.00 0.00 61.98 63.15 3h46 s VAL 224 Cb -0.04 -4.54 -0.08 0.00 0.00 0.00 0.00 36.38 31.72 3h46 s VAL 224 CO -0.01 -0.97 1.33 1.88 0.00 0.00 0.00 175.10 177.33 3h46 h TYR 225 N 9.20 0.00 0.00 5.22 -1.99 -1.07 -3.49 116.97 124.84 3h46 h TYR 225 Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3h46 h TYR 225 Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.80 3h46 h TYR 225 CO 0.94 0.76 0.00 0.41 -0.00 0.00 0.00 178.16 180.26 3h46 n GLY 226 N 1.30 -1.29 3.26 3.88 0.00 -1.23 -4.96 105.19 106.16 3h46 n GLY 226 Ca 0.00 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 3h46 n GLY 226 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h46 s HIS 227 N -3.00 1.64 0.39 1.61 3.76 -1.26 -0.29 115.29 118.14 3h46 s HIS 227 Ca 0.00 -0.44 -0.27 0.00 -0.15 0.00 0.00 55.06 54.19 3h46 s HIS 227 Cb 0.00 -0.89 -0.10 0.00 1.11 0.00 0.00 32.58 32.70 3h46 s HIS 227 CO 0.00 0.18 1.46 0.25 -0.85 0.00 0.00 174.74 175.78 3h46 n THR 228 N 0.99 2.20 0.00 1.30 -2.24 0.17 -4.56 114.28 112.13 3h46 n THR 228 Ca -0.19 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3h46 n THR 228 Cb 0.54 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 3h46 n THR 228 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h46 n ARG 229 N 0.29 0.00 -1.82 -0.78 1.74 -0.22 -4.19 116.66 111.68 3h46 n ARG 229 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3h46 n ARG 229 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 3h46 n ARG 229 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3h46 n SER 230 N -1.27 -4.12 -1.30 0.55 2.88 -0.90 -4.45 113.62 105.01 3h46 n SER 230 Ca 0.00 0.44 -0.04 0.00 -1.33 0.00 0.00 58.87 57.94 3h46 n SER 230 Cb 0.00 -0.87 0.03 0.00 -0.75 0.00 0.00 64.21 62.61 3h46 n SER 230 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3h46 n TYR 231 N 1.58 0.50 -0.04 0.66 4.02 -1.26 0.57 117.16 123.19 3h46 n TYR 231 Ca 0.00 -0.86 -0.05 0.00 -0.01 0.00 0.00 57.90 56.98 3h46 n TYR 231 Cb 0.09 -0.43 -0.05 0.00 -0.02 0.00 0.00 39.34 38.92 3h46 n TYR 231 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3h46 n GLU 232 N 0.43 1.60 0.00 -0.72 -0.00 -1.26 -4.62 120.64 116.07 3h46 n GLU 232 Ca 0.10 0.02 0.00 0.00 -0.00 0.00 0.00 57.16 57.28 3h46 n GLU 232 Cb 0.65 -1.20 0.00 0.00 -0.00 0.00 0.00 31.44 30.89 3h46 n GLU 232 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3h46 n PHE 233 N -2.52 0.00 -4.54 -1.84 -0.00 0.19 -4.88 117.46 103.88 3h46 n PHE 233 Ca -0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.30 3h46 n PHE 233 Cb 0.73 -0.02 0.00 0.00 -0.00 0.00 0.00 39.48 40.18 3h46 n PHE 233 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3h46 n TYR 234 N 0.55 0.00 -1.13 -5.13 0.53 -1.26 -3.53 117.16 107.19 3h46 n TYR 234 Ca 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.75 3h46 n TYR 234 Cb 0.02 0.04 0.26 0.00 -1.03 0.00 0.00 39.34 38.62 3h46 n TYR 234 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3h46 n GLY 235 N 0.00 4.01 3.40 2.72 0.00 -1.26 -4.74 105.19 109.32 3h46 n GLY 235 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 3h46 n GLY 235 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h46 s SER 236 N -1.15 3.83 -0.79 1.61 0.01 -1.23 -5.05 113.70 110.93 3h46 s SER 236 Ca 0.56 -0.30 -0.15 0.00 1.31 0.00 0.00 55.95 57.37 3h46 s SER 236 Cb 0.46 -1.08 0.20 0.00 0.21 0.00 0.00 66.02 65.81 3h46 s SER 236 CO 0.12 0.27 0.76 -1.61 0.41 0.00 0.00 173.24 173.19 3h46 s GLU 237 N -0.29 3.50 -0.09 12.44 2.02 -1.26 -4.73 118.70 130.29 3h46 s GLU 237 Ca 0.02 -2.26 -0.13 0.00 0.02 0.00 0.00 54.97 52.61 3h46 s GLU 237 Cb -0.13 -4.44 -0.05 0.00 0.10 0.00 0.00 34.13 29.61 3h46 s GLU 237 CO 0.03 -1.34 0.33 0.08 0.02 0.00 0.00 175.26 174.37 3h46 s VAL 238 N 0.66 5.22 0.19 2.63 1.01 -1.26 -4.70 120.40 124.16 3h46 s VAL 238 Ca 0.17 0.63 -0.32 0.00 0.00 0.00 0.00 61.98 62.46 3h46 s VAL 238 Cb -0.13 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 3h46 s VAL 238 CO -0.07 0.50 1.73 -2.65 0.00 0.00 0.00 175.10 174.61 3h46 n PRO 239 N 2.61 2.73 -3.14 2.72 -0.02 -1.26 -0.66 135.00 137.97 3h46 n PRO 239 Ca -0.14 0.98 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 3h46 n PRO 239 Cb 0.53 -2.83 -0.07 0.00 -0.02 0.00 0.00 33.50 31.11 3h46 n PRO 239 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h46 s ILE 240 N 1.32 4.86 0.00 4.25 1.01 0.60 -1.17 121.20 132.07 3h46 s ILE 240 Ca 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.36 3h46 s ILE 240 Cb -0.52 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 37.74 3h46 s ILE 240 CO 0.33 -0.63 0.04 0.00 0.00 0.00 0.00 174.94 174.68 3h46 n ALA 241 N 6.20 0.95 -2.98 9.38 0.00 -0.46 -0.42 120.51 133.19 3h46 n ALA 241 Ca -0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 3h46 n ALA 241 Cb 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 3h46 n ALA 241 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h46 s GLY 242 N -0.38 -0.07 -0.16 0.00 0.00 -1.17 -2.18 107.32 103.36 3h46 s GLY 242 Ca 0.00 0.28 -0.13 0.00 0.00 0.00 0.00 44.72 44.87 3h46 s GLY 242 CO 0.00 0.24 0.41 -0.29 0.00 0.00 0.00 173.10 173.47 3h46 s MET 243 N 0.06 0.46 0.06 2.90 1.75 -0.89 -0.60 119.30 123.03 3h46 s MET 243 Ca -0.00 0.64 -0.26 0.00 -1.25 0.00 0.00 55.69 54.82 3h46 s MET 243 Cb -0.01 0.16 0.08 0.00 2.84 0.00 0.00 34.83 37.90 3h46 s MET 243 CO 0.00 -0.09 0.68 0.00 -0.65 0.00 0.00 175.02 174.96 3h46 s ALA 244 N 0.57 -1.69 0.66 4.11 0.00 -0.87 -4.44 121.76 120.10 3h46 s ALA 244 Ca -0.03 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 3h46 s ALA 244 Cb -0.05 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.57 3h46 s ALA 244 CO -0.03 -0.62 1.17 0.20 0.00 0.00 0.00 175.76 176.47 3h46 s GLY 245 N -2.19 2.38 0.23 0.00 0.00 -1.26 -3.30 107.32 103.18 3h46 s GLY 245 Ca -0.02 0.78 -0.07 0.00 0.00 0.00 0.00 44.72 45.42 3h46 s GLY 245 CO -0.05 1.16 1.84 1.29 0.00 0.00 0.00 173.10 177.34 3h46 h ASP 246 N 0.19 0.78 -0.12 1.64 3.04 -1.29 0.28 116.42 120.95 3h46 h ASP 246 Ca -0.48 0.02 -0.12 0.00 -3.24 0.00 0.00 57.03 53.20 3h46 h ASP 246 Cb 1.28 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 39.41 3h46 h ASP 246 CO 0.53 0.51 -0.33 1.56 -2.04 0.00 0.00 179.24 179.46 3h46 h GLN 247 N 0.92 0.62 -0.07 4.15 1.08 -1.91 -0.25 115.11 119.64 3h46 h GLN 247 Ca 0.35 -0.28 -0.20 0.00 -1.45 0.00 0.00 58.65 57.07 3h46 h GLN 247 Cb 0.15 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3h46 h GLN 247 CO -0.17 0.87 -0.77 1.96 -0.95 0.00 0.00 178.83 179.77 3h46 h GLN 248 N 0.52 0.46 -0.41 1.46 7.50 -1.74 -2.31 115.11 120.58 3h46 h GLN 248 Ca 0.06 -0.40 0.03 0.00 0.50 0.00 0.00 58.65 58.84 3h46 h GLN 248 Cb 0.82 0.09 -0.03 0.00 0.05 0.00 0.00 27.48 28.41 3h46 h GLN 248 CO 0.07 1.03 0.22 0.00 -1.50 0.00 0.00 178.83 178.65 3h46 h ALA 249 N 0.85 0.52 -0.75 3.87 0.00 -0.09 -1.84 119.26 121.81 3h46 h ALA 249 Ca -0.04 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3h46 h ALA 249 Cb 1.37 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3h46 h ALA 249 CO 0.14 -0.13 0.43 0.00 0.00 0.00 0.00 179.25 179.68 3h46 h ALA 250 N 1.21 1.04 -0.28 0.00 0.00 -0.95 0.79 119.26 121.07 3h46 h ALA 250 Ca 0.17 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3h46 h ALA 250 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3h46 h ALA 250 CO -0.11 0.09 0.18 1.25 0.00 0.00 0.00 179.25 180.65 3h46 h LEU 251 N 0.76 0.30 -0.44 0.00 5.85 -1.06 0.12 115.31 120.83 3h46 h LEU 251 Ca 0.35 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3h46 h LEU 251 Cb 0.26 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3h46 h LEU 251 CO -0.21 0.21 0.23 0.15 -0.34 0.00 0.00 178.44 178.49 3h46 h PHE 252 N 0.36 0.62 0.00 1.25 3.57 -1.08 -1.46 116.94 120.20 3h46 h PHE 252 Ca 0.11 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3h46 h PHE 252 Cb -0.02 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3h46 h PHE 252 CO -0.07 0.48 -0.17 0.78 -2.23 0.00 0.00 178.31 177.11 3h46 h GLY 253 N 0.58 0.00 1.12 2.40 0.00 -0.51 -0.79 103.07 105.88 3h46 h GLY 253 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3h46 h GLY 253 CO -0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.46 3h46 n GLN 254 N -3.50 0.84 -3.17 4.80 1.13 0.39 -4.79 117.38 113.08 3h46 n GLN 254 Ca -0.01 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.82 3h46 n GLN 254 Cb 0.33 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.21 3h46 n GLN 254 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3h46 n MET 255 N -1.06 -4.94 -2.48 -1.09 2.81 -0.30 -4.90 117.12 105.16 3h46 n MET 255 Ca 0.21 0.81 -0.43 0.00 -1.81 0.00 0.00 57.70 56.48 3h46 n MET 255 Cb 0.13 -5.67 0.00 0.00 -0.71 0.00 0.00 33.22 26.97 3h46 n MET 255 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h46 n ALA 256 N -3.72 4.90 0.07 3.04 0.00 -0.56 -4.66 120.51 119.57 3h46 n ALA 256 Ca -0.08 -4.25 0.10 0.00 0.00 0.00 0.00 53.44 49.21 3h46 n ALA 256 Cb 0.60 -3.06 -0.04 0.00 0.00 0.00 0.00 19.45 16.95 3h46 n ALA 256 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h46 n PHE 257 N 4.66 0.78 -3.79 0.00 3.72 -1.26 -4.75 117.46 116.81 3h46 n PHE 257 Ca 0.40 0.23 -0.34 0.00 -0.05 0.00 0.00 57.45 57.69 3h46 n PHE 257 Cb 0.39 -0.88 -0.05 0.00 -0.94 0.00 0.00 39.48 37.99 3h46 n PHE 257 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3h46 s GLU 258 N -3.35 3.55 0.16 -1.08 0.41 -1.26 -4.93 118.70 112.19 3h46 s GLU 258 Ca -0.02 -0.14 -0.33 0.00 -0.41 0.00 0.00 54.97 54.06 3h46 s GLU 258 Cb 0.10 -3.05 -0.16 0.00 -1.78 0.00 0.00 34.13 29.24 3h46 s GLU 258 CO 0.82 0.63 1.21 1.17 -0.49 0.00 0.00 175.26 178.59 3h46 n LYS 259 N 0.92 1.23 0.00 1.61 4.81 -1.26 -1.98 118.16 123.49 3h46 n LYS 259 Ca -0.10 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 3h46 n LYS 259 Cb 0.53 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.61 3h46 n LYS 259 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h46 n GLY 260 N 2.11 3.05 3.77 3.14 0.00 0.66 -4.99 105.19 112.93 3h46 n GLY 260 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3h46 n GLY 260 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h46 s MET 261 N -0.11 3.97 -0.05 1.61 -1.94 -0.84 -4.75 119.30 117.20 3h46 s MET 261 Ca 0.00 2.14 -0.04 0.00 -1.71 0.00 0.00 55.69 56.08 3h46 s MET 261 Cb 0.00 -2.75 0.02 0.00 2.01 0.00 0.00 34.83 34.10 3h46 s MET 261 CO 0.00 -0.49 0.12 -1.50 -0.01 0.00 0.00 175.02 173.14 3h46 s ILE 262 N -1.27 -0.01 0.28 2.53 2.07 -1.26 -1.02 121.20 122.52 3h46 s ILE 262 Ca 0.57 0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.86 3h46 s ILE 262 Cb -0.38 -0.18 -0.05 0.00 0.13 0.00 0.00 42.46 41.99 3h46 s ILE 262 CO 0.48 0.01 0.10 -1.59 -1.91 0.00 0.00 174.94 172.04 3h46 s LYS 263 N 0.25 1.49 -0.03 3.50 0.00 -0.58 -2.64 119.74 121.73 3h46 s LYS 263 Ca -0.02 -1.82 -0.02 0.00 0.00 0.00 0.00 55.97 54.12 3h46 s LYS 263 Cb -0.03 -0.33 0.02 0.00 0.00 0.00 0.00 37.83 37.50 3h46 s LYS 263 CO -0.01 -0.31 0.08 1.21 0.00 0.00 0.00 175.35 176.31 3h46 s ASN 264 N -3.36 -0.03 -0.20 0.03 2.47 -0.35 -1.88 114.94 111.63 3h46 s ASN 264 Ca 0.37 0.15 -0.03 0.00 0.42 0.00 0.00 52.86 53.77 3h46 s ASN 264 Cb 0.07 0.08 -0.01 0.00 -1.45 0.00 0.00 41.25 39.94 3h46 s ASN 264 CO 0.14 -0.09 -0.08 -0.89 -3.72 0.00 0.00 177.10 172.46 3h46 s THR 265 N 0.71 3.17 -0.51 -5.21 2.01 -1.06 -1.58 115.64 113.17 3h46 s THR 265 Ca -0.06 -0.57 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 3h46 s THR 265 Cb -0.08 -2.41 0.09 0.00 0.01 0.00 0.00 72.50 70.11 3h46 s THR 265 CO -0.03 0.46 0.49 -0.31 -0.69 0.00 0.00 174.62 174.54 3h46 s TYR 266 N 1.23 3.19 0.00 4.92 2.02 -0.03 -2.54 117.35 126.13 3h46 s TYR 266 Ca 0.03 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 55.76 3h46 s TYR 266 Cb -0.14 -3.48 0.00 0.00 -0.40 0.00 0.00 41.96 37.94 3h46 s TYR 266 CO -0.03 -0.94 0.00 0.41 -1.57 0.00 0.00 175.55 173.42 3h46 n GLY 267 N 5.22 4.87 0.20 0.71 0.00 -1.26 -1.77 105.19 113.16 3h46 n GLY 267 Ca -0.12 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.14 3h46 n GLY 267 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h46 h THR 268 N 0.00 0.96 -5.12 2.61 2.02 -1.93 0.12 112.91 111.56 3h46 h THR 268 Ca 0.00 -0.16 -0.49 0.00 0.77 0.00 0.00 66.41 66.53 3h46 h THR 268 Cb 0.00 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 66.78 3h46 h THR 268 CO 0.00 0.09 -0.30 0.61 0.37 0.00 0.00 175.52 176.29 3h46 n GLY 269 N -1.24 3.28 3.10 2.16 0.00 -1.25 -1.05 105.19 110.19 3h46 n GLY 269 Ca 0.04 -2.31 -0.23 0.00 0.00 0.00 0.00 46.02 43.53 3h46 n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h46 s ALA 270 N -2.65 1.20 -0.10 4.61 0.00 -0.47 -4.56 121.76 119.78 3h46 s ALA 270 Ca 0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 3h46 s ALA 270 Cb -0.01 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.82 3h46 s ALA 270 CO 0.07 0.27 0.05 -0.06 0.00 0.00 0.00 175.76 176.10 3h46 s PHE 271 N -0.22 0.35 -0.25 0.00 0.08 -1.05 -0.09 117.98 116.81 3h46 s PHE 271 Ca 0.03 -0.14 -0.19 0.00 0.12 0.00 0.00 56.93 56.75 3h46 s PHE 271 Cb -0.07 -0.68 -0.02 0.00 -0.57 0.00 0.00 43.02 41.68 3h46 s PHE 271 CO -0.00 -0.37 0.58 0.42 -0.10 0.00 0.00 175.22 175.75 3h46 s ILE 272 N 2.08 5.03 -0.08 0.64 1.09 -0.62 -2.57 121.20 126.77 3h46 s ILE 272 Ca 0.03 1.03 0.03 0.00 -1.10 0.00 0.00 60.65 60.64 3h46 s ILE 272 Cb -0.14 -3.89 0.01 0.00 -1.06 0.00 0.00 42.46 37.38 3h46 s ILE 272 CO -0.06 0.07 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.01 3h46 s VAL 273 N 2.29 1.43 -0.16 2.92 1.01 -0.79 -1.05 120.40 126.07 3h46 s VAL 273 Ca 0.24 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3h46 s VAL 273 Cb -0.16 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3h46 s VAL 273 CO 0.09 0.42 -0.02 -0.32 0.00 0.00 0.00 175.10 175.27 3h46 s MET 274 N 0.66 3.68 0.05 2.72 1.75 0.08 -1.52 119.30 126.71 3h46 s MET 274 Ca -0.14 -0.49 -0.31 0.00 -1.25 0.00 0.00 55.69 53.50 3h46 s MET 274 Cb -0.16 -2.95 -0.06 0.00 2.84 0.00 0.00 34.83 34.50 3h46 s MET 274 CO 0.04 0.27 1.29 1.21 -0.65 0.00 0.00 175.02 177.18 3h46 s ASN 275 N 0.30 6.97 0.00 1.11 3.84 -0.19 -1.35 114.94 125.62 3h46 s ASN 275 Ca -0.02 2.08 0.09 0.00 0.21 0.00 0.00 52.86 55.22 3h46 s ASN 275 Cb -0.14 -2.57 0.16 0.00 -0.55 0.00 0.00 41.25 38.15 3h46 s ASN 275 CO 0.03 -0.58 1.00 0.35 -2.79 0.00 0.00 177.10 175.10 3h46 n THR 276 N 4.18 0.48 -3.98 -5.21 -2.24 -0.31 -0.25 114.28 106.94 3h46 n THR 276 Ca 0.11 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3h46 n THR 276 Cb 0.45 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3h46 n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h46 n GLY 277 N 0.45 -1.33 0.01 3.38 0.00 -1.24 -4.32 105.19 102.14 3h46 n GLY 277 Ca 0.08 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.93 3h46 n GLY 277 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h46 n GLU 278 N 0.00 0.02 -4.57 1.61 1.02 -1.26 -0.35 120.64 117.11 3h46 n GLU 278 Ca 0.00 0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 3h46 n GLU 278 Cb 0.00 -1.53 -0.11 0.00 -0.02 0.00 0.00 31.44 29.78 3h46 n GLU 278 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3h46 s GLU 279 N -3.01 2.98 0.00 3.49 2.12 -1.26 -4.81 118.70 118.21 3h46 s GLU 279 Ca 0.12 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.91 3h46 s GLU 279 Cb 0.16 -2.67 0.00 0.00 0.26 0.00 0.00 34.13 31.88 3h46 s GLU 279 CO 0.46 0.56 0.00 -2.30 -0.54 0.00 0.00 175.26 173.45 3h46 n PRO 280 N 2.53 0.00 -3.64 4.30 -0.02 -1.26 -4.69 135.00 132.22 3h46 n PRO 280 Ca -0.18 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.23 3h46 n PRO 280 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.94 3h46 n PRO 280 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3h46 s GLN 281 N 0.00 0.64 0.20 -0.52 2.00 -1.26 -4.75 119.66 115.97 3h46 s GLN 281 Ca 0.00 1.02 -0.19 0.00 -2.00 0.00 0.00 55.36 54.19 3h46 s GLN 281 Cb 0.00 0.17 0.17 0.00 0.80 0.00 0.00 33.01 34.15 3h46 s GLN 281 CO 0.00 -0.12 1.57 1.37 -0.50 0.00 0.00 175.29 177.61 3h46 h LEU 282 N 6.34 -1.26 -8.25 3.68 8.10 -1.93 -3.38 115.31 118.63 3h46 h LEU 282 Ca -0.29 0.26 -0.66 0.00 0.11 0.00 0.00 57.88 57.29 3h46 h LEU 282 Cb 1.21 0.64 -0.31 0.00 -0.44 0.00 0.00 40.66 41.76 3h46 h LEU 282 CO 0.15 -0.30 -0.77 -0.55 -4.11 0.00 0.00 178.44 172.86 3h46 s SER 283 N -5.24 3.90 0.00 0.17 0.15 -1.26 -4.98 113.70 106.44 3h46 s SER 283 Ca -0.14 -0.55 0.25 0.00 0.70 0.00 0.00 55.95 56.21 3h46 s SER 283 Cb 0.18 -1.64 0.43 0.00 -1.71 0.00 0.00 66.02 63.28 3h46 s SER 283 CO 0.70 -0.03 1.38 -0.90 1.20 0.00 0.00 173.24 175.59 3h46 n ASP 284 N 4.72 2.22 -4.63 5.45 3.85 -1.26 -4.67 116.55 122.22 3h46 n ASP 284 Ca -0.19 -1.66 -0.50 0.00 -0.71 0.00 0.00 54.79 51.73 3h46 n ASP 284 Cb 0.50 0.11 -0.05 0.00 -1.35 0.00 0.00 41.12 40.33 3h46 n ASP 284 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3h46 n ASN 285 N 0.56 2.32 -0.79 -1.12 2.85 -1.26 -1.13 115.26 116.69 3h46 n ASN 285 Ca 0.14 1.09 -0.10 0.00 -0.11 0.00 0.00 54.58 55.60 3h46 n ASN 285 Cb 0.49 -1.28 -0.04 0.00 1.24 0.00 0.00 39.78 40.19 3h46 n ASN 285 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3h46 n ASP 286 N 3.39 -5.44 -3.99 1.20 8.00 -1.26 -4.91 116.55 113.53 3h46 n ASP 286 Ca 0.19 0.26 -0.22 0.00 0.71 0.00 0.00 54.79 55.73 3h46 n ASP 286 Cb 0.22 -3.85 -0.09 0.00 -0.02 0.00 0.00 41.12 37.38 3h46 n ASP 286 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3h46 s LEU 287 N -2.36 1.84 -0.05 0.64 1.43 -0.28 -4.35 118.68 115.55 3h46 s LEU 287 Ca 0.00 -1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 51.44 3h46 s LEU 287 Cb 0.00 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.26 3h46 s LEU 287 CO 0.00 -0.91 0.17 -0.76 0.23 0.00 0.00 176.35 175.09 3h46 s LEU 288 N -3.47 4.38 -0.21 1.79 1.43 -0.25 -4.94 118.68 117.40 3h46 s LEU 288 Ca 0.32 0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 53.74 3h46 s LEU 288 Cb 0.04 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 3h46 s LEU 288 CO 0.17 0.31 0.09 -0.89 0.23 0.00 0.00 176.35 176.26 3h46 s THR 289 N -1.22 4.79 0.29 5.49 2.01 -0.44 -1.49 115.64 125.08 3h46 s THR 289 Ca 0.23 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.25 3h46 s THR 289 Cb -0.12 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 3h46 s THR 289 CO 0.14 0.40 0.26 0.28 -0.69 0.00 0.00 174.62 175.01 3h46 s THR 290 N 0.85 0.00 -0.20 -0.82 -1.32 -0.20 -4.22 115.64 109.74 3h46 s THR 290 Ca 0.05 -1.95 -0.15 0.00 -1.21 0.00 0.00 61.69 58.42 3h46 s THR 290 Cb -0.13 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 3h46 s THR 290 CO 0.03 0.00 0.38 -0.63 -2.21 0.00 0.00 174.62 172.18 3h46 s ILE 291 N -3.62 5.22 -0.07 5.08 1.01 -1.26 -0.63 121.20 126.92 3h46 s ILE 291 Ca 0.39 0.67 -0.15 0.00 0.00 0.00 0.00 60.65 61.56 3h46 s ILE 291 Cb 0.03 -3.71 -0.11 0.00 0.01 0.00 0.00 42.46 38.68 3h46 s ILE 291 CO 0.22 0.27 0.58 1.23 0.00 0.00 0.00 174.94 177.25 3h46 h GLY 292 N 7.49 -0.22 -4.23 6.18 0.00 -0.83 -3.41 103.07 108.04 3h46 h GLY 292 Ca -0.37 0.08 0.16 0.00 0.00 0.00 0.00 47.33 47.20 3h46 h GLY 292 CO 0.72 -0.08 0.68 -2.52 0.00 0.00 0.00 176.54 175.34 3h46 s TYR 293 N -2.79 -0.25 -0.21 5.60 -0.85 -0.91 -4.75 117.35 113.20 3h46 s TYR 293 Ca -0.09 0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.80 3h46 s TYR 293 Cb 0.00 0.49 0.03 0.00 0.38 0.00 0.00 41.96 42.85 3h46 s TYR 293 CO 0.32 -0.28 -0.14 0.20 -1.52 0.00 0.00 175.55 174.13 3h46 s GLY 294 N -1.52 1.50 0.08 5.49 0.00 -1.26 -0.73 107.32 110.88 3h46 s GLY 294 Ca 0.04 -1.36 -0.07 0.00 0.00 0.00 0.00 44.72 43.33 3h46 s GLY 294 CO -0.03 0.40 0.15 -0.26 0.00 0.00 0.00 173.10 173.35 3h46 s ILE 295 N 1.28 0.15 -1.44 0.90 -4.36 -0.85 -1.07 121.20 115.81 3h46 s ILE 295 Ca 0.02 -1.27 -0.09 0.00 -0.26 0.00 0.00 60.65 59.04 3h46 s ILE 295 Cb -0.15 -1.33 0.05 0.00 1.25 0.00 0.00 42.46 42.28 3h46 s ILE 295 CO -0.09 -0.70 0.72 0.59 0.24 0.00 0.00 174.94 175.70 3h46 n ASN 296 N 0.04 -4.95 0.00 4.36 3.02 -1.26 -1.15 115.26 115.32 3h46 n ASN 296 Ca -0.15 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 3h46 n ASN 296 Cb 0.62 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 3h46 n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h46 n GLY 297 N -1.49 2.72 3.58 7.41 0.00 -1.26 -5.01 105.19 111.14 3h46 n GLY 297 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 3h46 n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h46 s LYS 298 N -0.10 2.10 -0.17 1.61 1.02 -0.30 -5.13 119.74 118.77 3h46 s LYS 298 Ca 0.00 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 54.71 3h46 s LYS 298 Cb 0.00 -2.17 -0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3h46 s LYS 298 CO 0.00 0.43 -0.12 0.08 -0.92 0.00 0.00 175.35 174.82 3h46 s VAL 299 N -1.76 2.89 -0.20 3.17 1.01 -1.26 -2.00 120.40 122.25 3h46 s VAL 299 Ca 0.26 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 3h46 s VAL 299 Cb -0.09 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3h46 s VAL 299 CO 0.16 0.50 -0.01 -0.31 0.00 0.00 0.00 175.10 175.44 3h46 s TYR 300 N 0.90 3.03 0.53 5.22 2.02 0.10 -4.28 117.35 124.86 3h46 s TYR 300 Ca -0.03 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 3h46 s TYR 300 Cb -0.15 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3h46 s TYR 300 CO -0.01 -0.23 0.76 0.71 -1.57 0.00 0.00 175.55 175.21 3h46 s TYR 301 N 0.94 2.99 0.08 2.71 2.02 0.53 -0.26 117.35 126.35 3h46 s TYR 301 Ca 0.01 0.11 -0.09 0.00 -0.37 0.00 0.00 57.07 56.72 3h46 s TYR 301 Cb -0.14 -2.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.77 3h46 s TYR 301 CO 0.02 -0.75 0.21 0.00 -1.57 0.00 0.00 175.55 173.46 3h46 s ALA 302 N -2.73 -0.31 -0.12 3.71 0.00 0.19 -1.17 121.76 121.34 3h46 s ALA 302 Ca 0.55 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 3h46 s ALA 302 Cb -0.10 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 3h46 s ALA 302 CO 0.39 -0.48 0.02 -0.51 0.00 0.00 0.00 175.76 175.17 3h46 s LEU 303 N -2.67 3.63 -0.02 0.00 1.43 -0.45 -1.03 118.68 119.57 3h46 s LEU 303 Ca 0.02 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3h46 s LEU 303 Cb 0.03 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.40 3h46 s LEU 303 CO -0.09 0.31 -0.09 -0.70 0.23 0.00 0.00 176.35 176.01 3h46 s GLU 304 N -0.49 0.96 -0.19 1.70 2.12 -0.55 -0.74 118.70 121.51 3h46 s GLU 304 Ca 0.09 -0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.08 3h46 s GLU 304 Cb -0.12 -0.90 0.00 0.00 0.26 0.00 0.00 34.13 33.37 3h46 s GLU 304 CO 0.02 0.13 -0.12 0.20 -0.54 0.00 0.00 175.26 174.96 3h46 s GLY 305 N 0.12 1.51 -0.18 -1.50 0.00 -0.21 -1.09 107.32 105.97 3h46 s GLY 305 Ca -0.02 -1.14 -0.11 0.00 0.00 0.00 0.00 44.72 43.45 3h46 s GLY 305 CO 0.00 0.25 0.19 -0.56 0.00 0.00 0.00 173.10 172.98 3h46 s SER 306 N 1.20 6.30 -0.41 1.64 0.01 -1.26 -1.58 113.70 119.60 3h46 s SER 306 Ca 0.02 0.35 -0.04 0.00 1.31 0.00 0.00 55.95 57.59 3h46 s SER 306 Cb -0.14 -2.12 0.11 0.00 0.21 0.00 0.00 66.02 64.07 3h46 s SER 306 CO -0.05 0.18 0.21 -0.63 0.41 0.00 0.00 173.24 173.36 3h46 s ILE 307 N 0.25 3.42 0.20 1.44 1.01 0.87 -0.78 121.20 127.61 3h46 s ILE 307 Ca 0.11 -1.95 -0.11 0.00 0.00 0.00 0.00 60.65 58.71 3h46 s ILE 307 Cb -0.12 -3.30 0.13 0.00 0.01 0.00 0.00 42.46 39.18 3h46 s ILE 307 CO 0.01 -0.66 1.82 -0.26 0.00 0.00 0.00 174.94 175.84 3h46 h PHE 308 N 8.11 0.95 -3.66 3.97 0.04 -1.90 -1.26 116.94 123.20 3h46 h PHE 308 Ca -0.15 -0.02 -0.68 0.00 2.80 0.00 0.00 57.97 59.92 3h46 h PHE 308 Cb 1.05 -0.31 -0.32 0.00 2.20 0.00 0.00 35.95 38.58 3h46 h PHE 308 CO 0.57 0.67 -0.71 0.08 -0.60 0.00 0.00 178.31 178.32 3h46 s VAL 309 N -5.87 3.03 0.00 -0.55 1.01 -1.26 -3.95 120.40 112.81 3h46 s VAL 309 Ca -0.13 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.65 3h46 s VAL 309 Cb 0.14 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3h46 s VAL 309 CO 0.79 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.91 3h46 n ALA 310 N 4.66 1.12 -0.28 5.51 0.00 -0.77 -4.81 120.51 125.93 3h46 n ALA 310 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.42 3h46 n ALA 310 Cb 0.45 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.27 3h46 n ALA 310 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h46 h GLY 311 N 0.00 1.27 2.00 0.00 0.00 0.96 -1.28 103.07 106.03 3h46 h GLY 311 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3h46 h GLY 311 CO 0.00 0.07 0.00 1.48 0.00 0.00 0.00 176.54 178.09 3h46 h SER 312 N 0.70 0.00 0.02 0.19 4.64 -1.63 -1.68 113.55 115.78 3h46 h SER 312 Ca 0.47 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.63 3h46 h SER 312 Cb 0.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3h46 h SER 312 CO -0.23 0.00 -0.54 0.00 -0.87 0.00 0.00 176.83 175.20 3h46 h ALA 313 N 2.10 0.71 -0.42 5.18 0.00 -1.51 -1.26 119.26 124.05 3h46 h ALA 313 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 3h46 h ALA 313 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h46 h ALA 313 CO 0.00 0.69 -0.28 0.82 0.00 0.00 0.00 179.25 180.48 3h46 h ILE 314 N 0.43 1.27 -0.80 0.00 1.08 -1.41 -2.15 117.51 115.93 3h46 h ILE 314 Ca 0.01 -1.44 0.10 0.00 -0.39 0.00 0.00 64.86 63.14 3h46 h ILE 314 Cb 1.08 1.28 -0.07 0.00 -3.07 0.00 0.00 36.82 36.04 3h46 h ILE 314 CO 0.10 0.49 0.44 1.56 -0.69 0.00 0.00 178.15 180.05 3h46 h GLN 315 N 0.75 0.71 -0.91 2.37 4.20 -1.27 -1.75 115.11 119.22 3h46 h GLN 315 Ca 0.08 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3h46 h GLN 315 Cb 0.86 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 3h46 h GLN 315 CO 0.08 0.47 0.59 2.35 -0.67 0.00 0.00 178.83 181.64 3h46 h TRP 316 N 0.73 1.15 -0.90 2.96 7.01 -0.95 0.17 115.95 126.13 3h46 h TRP 316 Ca 0.39 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.40 3h46 h TRP 316 Cb 0.38 -0.39 -0.04 0.00 -2.10 0.00 0.00 29.16 27.01 3h46 h TRP 316 CO -0.07 0.73 0.50 -0.07 -2.79 0.00 0.00 178.44 176.74 3h46 h LEU 317 N 1.23 1.11 -0.01 0.65 3.38 -0.84 0.52 115.31 121.35 3h46 h LEU 317 Ca 0.33 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3h46 h LEU 317 Cb -0.12 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.34 3h46 h LEU 317 CO -0.07 0.88 -0.01 -0.09 0.09 0.00 0.00 178.44 179.24 3h46 h ARG 318 N 1.25 0.03 0.00 1.13 2.43 -0.89 0.21 114.38 118.53 3h46 h ARG 318 Ca 0.32 -0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 59.14 3h46 h ARG 318 Cb 0.01 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 3h46 h ARG 318 CO -0.05 0.45 -2.27 -0.25 -1.51 0.00 0.00 179.97 176.34 3h46 n ASP 319 N -4.86 0.63 -0.03 -3.80 8.00 0.57 -3.29 116.55 113.76 3h46 n ASP 319 Ca -0.08 -0.01 -0.02 0.00 0.71 0.00 0.00 54.79 55.39 3h46 n ASP 319 Cb 0.23 0.83 -0.01 0.00 -0.02 0.00 0.00 41.12 42.16 3h46 n ASP 319 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3h46 h GLY 320 N 3.46 0.00 2.00 0.44 0.00 -0.16 -3.40 103.07 105.40 3h46 h GLY 320 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3h46 h GLY 320 CO 0.02 0.00 -0.07 1.41 0.00 0.00 0.00 176.54 177.89 3h46 h LEU 321 N -0.38 0.00 -1.21 3.11 3.38 -1.44 -3.47 115.31 115.29 3h46 h LEU 321 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 3h46 h LEU 321 Cb 0.17 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.95 3h46 h LEU 321 CO 0.00 0.07 -0.77 0.54 0.09 0.00 0.00 178.44 178.38 3h46 n ARG 322 N -3.13 -5.82 0.08 1.13 1.74 -0.35 -4.88 116.66 105.42 3h46 n ARG 322 Ca 0.03 0.65 0.05 0.00 -0.77 0.00 0.00 57.85 57.82 3h46 n ARG 322 Cb 0.50 -5.49 -0.03 0.00 -1.02 0.00 0.00 32.46 26.42 3h46 n ARG 322 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3h46 h MET 323 N -2.12 0.00 -5.52 5.56 4.05 -0.88 -3.46 114.93 112.56 3h46 h MET 323 Ca -0.59 0.00 -0.44 0.00 -0.28 0.00 0.00 59.70 58.39 3h46 h MET 323 Cb 1.37 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 31.97 3h46 h MET 323 CO 0.62 0.17 -0.78 0.96 0.23 0.00 0.00 176.91 178.10 3h46 s ILE 324 N -3.12 1.30 -0.05 1.77 -4.36 -1.21 -5.02 121.20 110.50 3h46 s ILE 324 Ca -0.01 -1.50 -0.14 0.00 -0.26 0.00 0.00 60.65 58.75 3h46 s ILE 324 Cb 0.09 -1.32 -0.31 0.00 1.25 0.00 0.00 42.46 42.17 3h46 s ILE 324 CO 0.79 -0.26 0.71 -0.08 0.24 0.00 0.00 174.94 176.34 3h46 h GLU 325 N 3.97 0.38 -4.67 0.37 4.57 -1.90 -3.39 114.58 113.91 3h46 h GLU 325 Ca -0.41 -0.65 -0.23 0.00 -1.18 0.00 0.00 59.36 56.88 3h46 h GLU 325 Cb 1.19 0.24 -0.15 0.00 -0.16 0.00 0.00 28.75 29.88 3h46 h GLU 325 CO 0.44 1.31 -0.69 0.95 -1.18 0.00 0.00 179.01 179.84 3h46 s THR 326 N -2.55 0.68 0.19 0.32 -4.23 -1.26 -5.01 115.64 103.77 3h46 s THR 326 Ca -0.16 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 58.34 3h46 s THR 326 Cb 0.05 -1.76 0.04 0.00 1.34 0.00 0.00 72.50 72.16 3h46 s THR 326 CO 0.85 -0.80 1.62 0.28 -0.54 0.00 0.00 174.62 176.03 3h46 h SER 327 N 2.92 0.95 0.15 3.99 0.02 -1.92 -2.94 113.55 116.72 3h46 h SER 327 Ca -0.35 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.26 3h46 h SER 327 Cb 1.17 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 3h46 h SER 327 CO 0.64 1.08 -0.09 1.55 -1.14 0.00 0.00 176.83 178.87 3h46 h PRO 328 N 0.84 0.00 -0.01 3.45 0.13 -1.99 -2.62 132.00 131.80 3h46 h PRO 328 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3h46 h PRO 328 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 3h46 h PRO 328 CO 0.05 0.09 0.04 0.37 -0.23 0.00 0.00 178.00 178.32 3h46 h GLN 329 N 0.00 0.00 -0.80 0.86 4.15 -1.94 -2.58 115.11 114.80 3h46 h GLN 329 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3h46 h GLN 329 Cb 0.19 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 3h46 h GLN 329 CO 0.01 0.00 0.48 0.66 -1.93 0.00 0.00 178.83 178.05 3h46 h SER 330 N 0.00 0.97 0.04 -0.69 4.64 -1.58 -1.56 113.55 115.36 3h46 h SER 330 Ca 0.01 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.12 3h46 h SER 330 Cb 0.09 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3h46 h SER 330 CO -0.00 0.75 -0.47 -0.08 -0.87 0.00 0.00 176.83 176.16 3h46 h GLU 331 N 1.10 0.51 -0.16 4.77 4.57 -1.67 0.11 114.58 123.81 3h46 h GLU 331 Ca 0.29 -0.28 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3h46 h GLU 331 Cb -0.04 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 3h46 h GLU 331 CO -0.05 0.87 -0.08 1.49 -1.18 0.00 0.00 179.01 180.05 3h46 h GLU 332 N 0.41 -0.07 -0.41 1.92 4.81 -1.55 -0.97 114.58 118.72 3h46 h GLU 332 Ca 0.02 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3h46 h GLU 332 Cb 0.98 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3h46 h GLU 332 CO 0.09 -0.05 0.02 -0.07 -0.73 0.00 0.00 179.01 178.27 3h46 h LEU 333 N -0.07 0.69 -0.89 1.64 3.38 -1.11 -3.08 115.31 115.86 3h46 h LEU 333 Ca 0.09 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3h46 h LEU 333 Cb 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3h46 h LEU 333 CO -0.21 0.81 0.47 0.00 0.09 0.00 0.00 178.44 179.60 3h46 h ALA 334 N 0.90 1.14 0.00 1.53 0.00 -0.82 -1.53 119.26 120.48 3h46 h ALA 334 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h46 h ALA 334 Cb 0.44 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3h46 h ALA 334 CO 0.02 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.88 3h46 h ALA 335 N 1.26 1.36 -0.08 0.00 0.00 -1.10 -2.14 119.26 118.56 3h46 h ALA 335 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3h46 h ALA 335 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h46 h ALA 335 CO -0.05 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.89 3h46 n LYS 336 N -3.67 1.89 -1.73 0.00 5.02 -0.59 -4.95 118.16 114.13 3h46 n LYS 336 Ca -0.02 -1.30 -0.42 0.00 -2.02 0.00 0.00 58.31 54.54 3h46 n LYS 336 Cb 0.14 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 3h46 n LYS 336 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h46 n ALA 337 N 0.56 2.42 0.32 7.82 0.00 -0.81 -4.92 120.51 125.90 3h46 n ALA 337 Ca 0.17 0.38 0.04 0.00 0.00 0.00 0.00 53.44 54.03 3h46 n ALA 337 Cb 0.42 -2.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.38 3h46 n ALA 337 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h46 n LYS 338 N 2.49 3.98 -1.10 0.00 4.76 -1.26 -4.99 118.16 122.04 3h46 n LYS 338 Ca 0.10 -0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.24 3h46 n LYS 338 Cb 0.36 -0.90 0.21 0.00 -1.84 0.00 0.00 35.03 32.86 3h46 n LYS 338 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3h46 s GLY 339 N -1.86 1.57 0.00 0.72 0.00 -1.26 -4.92 107.32 101.56 3h46 s GLY 339 Ca 0.02 -0.60 0.05 0.00 0.00 0.00 0.00 44.72 44.19 3h46 s GLY 339 CO 0.31 0.13 1.07 1.22 0.00 0.00 0.00 173.10 175.84 3h46 n ASP 340 N -4.47 0.00 -1.30 1.64 8.00 -1.26 -4.83 116.55 114.33 3h46 n ASP 340 Ca 0.08 0.36 -0.06 0.00 0.71 0.00 0.00 54.79 55.87 3h46 n ASP 340 Cb 0.58 -0.39 0.02 0.00 -0.02 0.00 0.00 41.12 41.31 3h46 n ASP 340 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3h46 n ASN 341 N -1.39 -3.15 -0.23 -2.24 2.85 -1.26 -4.96 115.26 104.88 3h46 n ASN 341 Ca 0.02 -0.14 0.03 0.00 -0.11 0.00 0.00 54.58 54.38 3h46 n ASN 341 Cb 0.05 -1.71 0.02 0.00 1.24 0.00 0.00 39.78 39.39 3h46 n ASN 341 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 3h46 n GLU 342 N -1.70 -0.16 -3.30 1.20 0.28 -1.26 -4.96 120.64 110.74 3h46 n GLU 342 Ca 0.00 -0.86 -0.38 0.00 -0.16 0.00 0.00 57.16 55.76 3h46 n GLU 342 Cb 0.52 -1.11 -0.06 0.00 1.43 0.00 0.00 31.44 32.22 3h46 n GLU 342 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3h46 s VAL 343 N -0.49 4.85 -0.08 3.84 1.01 -1.26 -4.39 120.40 123.89 3h46 s VAL 343 Ca 0.07 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.21 3h46 s VAL 343 Cb 0.05 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.57 3h46 s VAL 343 CO 0.07 0.51 -0.13 -0.31 0.00 0.00 0.00 175.10 175.25 3h46 s TYR 344 N -0.79 1.58 -0.16 5.22 2.02 -0.27 -4.76 117.35 120.18 3h46 s TYR 344 Ca 0.28 -0.62 -0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3h46 s TYR 344 Cb -0.18 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.20 3h46 s TYR 344 CO 0.17 -0.32 -0.06 0.08 -1.57 0.00 0.00 175.55 173.84 3h46 s VAL 345 N 0.76 3.55 -0.49 0.71 1.01 -1.26 -0.67 120.40 124.01 3h46 s VAL 345 Ca -0.12 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3h46 s VAL 345 Cb -0.16 -2.55 0.13 0.00 0.00 0.00 0.00 36.38 33.80 3h46 s VAL 345 CO 0.03 0.48 0.25 -0.69 0.00 0.00 0.00 175.10 175.17 3h46 s VAL 346 N 0.64 2.98 -0.77 2.92 1.01 0.45 -4.56 120.40 123.07 3h46 s VAL 346 Ca -0.04 -2.74 -0.05 0.00 0.00 0.00 0.00 61.98 59.16 3h46 s VAL 346 Cb -0.15 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.22 3h46 s VAL 346 CO 0.02 -0.75 2.75 -0.81 0.00 0.00 0.00 175.10 176.31 3h46 n PRO 347 N 3.78 3.19 -1.64 2.72 -0.04 -1.26 -0.84 135.00 140.91 3h46 n PRO 347 Ca 0.04 -2.57 -0.40 0.00 -0.04 0.00 0.00 63.50 60.53 3h46 n PRO 347 Cb 0.38 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.49 3h46 n PRO 347 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h46 n ALA 348 N 1.51 6.82 0.23 0.55 0.00 -1.26 -4.72 120.51 123.63 3h46 n ALA 348 Ca 0.55 -3.80 0.13 0.00 0.00 0.00 0.00 53.44 50.32 3h46 n ALA 348 Cb 0.47 -3.23 0.75 0.00 0.00 0.00 0.00 19.45 17.43 3h46 n ALA 348 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3h46 h PHE 349 N 5.17 0.00 0.00 0.00 0.04 -1.87 -2.21 116.94 118.07 3h46 h PHE 349 Ca 0.74 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.51 3h46 h PHE 349 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 3h46 h PHE 349 CO 1.68 0.00 -0.01 0.25 -0.60 0.00 0.00 178.31 179.63 3h46 n THR 350 N -4.23 1.17 0.00 -1.55 -2.24 -1.26 -4.69 114.28 101.48 3h46 n THR 350 Ca -0.01 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.50 3h46 n THR 350 Cb 0.19 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3h46 n THR 350 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h46 n GLY 351 N -0.72 2.28 3.71 3.38 0.00 -0.86 -4.82 105.19 108.16 3h46 n GLY 351 Ca 0.04 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 3h46 n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h46 s LEU 352 N 0.00 4.28 0.00 0.99 1.43 -0.69 -4.69 118.68 120.00 3h46 s LEU 352 Ca 0.00 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 3h46 s LEU 352 Cb 0.00 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.18 3h46 s LEU 352 CO 0.00 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3h46 n GLY 353 N 3.22 0.32 3.76 -3.19 0.00 -1.26 -1.46 105.19 106.58 3h46 n GLY 353 Ca -0.01 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 3h46 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h46 s ALA 354 N -3.97 2.68 -2.02 4.61 0.00 0.04 -1.14 121.76 121.96 3h46 s ALA 354 Ca 0.00 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.07 3h46 s ALA 354 Cb 0.00 -3.45 0.27 0.00 0.00 0.00 0.00 23.12 19.94 3h46 s ALA 354 CO 0.00 -1.06 1.21 -0.35 0.00 0.00 0.00 175.76 175.55 3h46 n PRO 355 N -1.27 1.45 0.01 0.00 -0.04 -1.26 -4.67 135.00 129.22 3h46 n PRO 355 Ca 0.12 -0.70 -0.20 0.00 -0.04 0.00 0.00 63.50 62.67 3h46 n PRO 355 Cb 0.49 -1.18 -0.14 0.00 -0.04 0.00 0.00 33.50 32.63 3h46 n PRO 355 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3h46 h TYR 356 N 1.17 0.40 -6.56 0.54 0.05 -1.41 -3.45 116.97 107.72 3h46 h TYR 356 Ca 0.00 -0.29 -0.51 0.00 0.05 0.00 0.00 58.73 57.97 3h46 h TYR 356 Cb 0.27 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 3h46 h TYR 356 CO 0.12 1.44 -0.94 0.91 -1.05 0.00 0.00 178.16 178.64 3h46 n TRP 357 N -4.07 -1.64 -3.86 4.88 7.02 -0.46 -4.92 117.44 114.39 3h46 n TRP 357 Ca -0.21 0.47 -0.34 0.00 -1.02 0.00 0.00 57.50 56.40 3h46 n TRP 357 Cb 0.83 -3.32 -0.13 0.00 -2.42 0.00 0.00 31.31 26.27 3h46 n TRP 357 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h46 s ASP 358 N -3.87 5.01 0.03 -0.99 -1.08 -0.53 -4.97 116.67 110.28 3h46 s ASP 358 Ca 0.28 -2.28 0.18 0.00 -0.52 0.00 0.00 52.55 50.22 3h46 s ASP 358 Cb -0.12 -1.75 0.78 0.00 -1.46 0.00 0.00 42.92 40.36 3h46 s ASP 358 CO 0.91 -0.44 1.59 -1.54 0.52 0.00 0.00 175.17 176.21 3h46 n SER 359 N 4.19 0.09 0.03 -0.34 3.41 -1.26 -1.70 113.62 118.05 3h46 n SER 359 Ca 0.02 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 3h46 n SER 359 Cb 0.40 -0.54 0.04 0.00 -0.26 0.00 0.00 64.21 63.85 3h46 n SER 359 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h46 n GLU 360 N -1.60 0.29 -1.95 4.33 -0.58 -1.26 -4.45 120.64 115.42 3h46 n GLU 360 Ca 0.04 0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.40 3h46 n GLU 360 Cb 0.22 -1.61 0.02 0.00 -0.57 0.00 0.00 31.44 29.49 3h46 n GLU 360 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h46 s ALA 361 N -3.20 3.02 0.45 0.62 0.00 -1.17 -4.87 121.76 116.62 3h46 s ALA 361 Ca 0.04 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.28 3h46 s ALA 361 Cb 0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3h46 s ALA 361 CO 0.79 -1.06 0.02 1.03 0.00 0.00 0.00 175.76 176.55 3h46 s ARG 362 N -2.63 2.04 0.42 0.00 1.81 -1.25 -2.78 118.95 116.56 3h46 s ARG 362 Ca 0.65 -2.23 -0.25 0.00 -1.72 0.00 0.00 55.73 52.17 3h46 s ARG 362 Cb -0.38 -1.40 -0.08 0.00 -0.45 0.00 0.00 34.95 32.64 3h46 s ARG 362 CO 0.46 -0.25 1.32 0.20 -0.68 0.00 0.00 175.30 176.35 3h46 s GLY 363 N -3.75 2.91 0.10 -3.53 0.00 -1.06 -4.41 107.32 97.57 3h46 s GLY 363 Ca 0.20 1.27 -0.08 0.00 0.00 0.00 0.00 44.72 46.11 3h46 s GLY 363 CO 0.10 1.85 0.18 0.00 0.00 0.00 0.00 173.10 175.23 3h46 s ALA 364 N -1.27 -0.10 0.00 3.20 0.00 -0.02 -4.90 121.76 118.67 3h46 s ALA 364 Ca 0.59 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.83 3h46 s ALA 364 Cb -0.39 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 3h46 s ALA 364 CO 0.50 -0.51 -0.05 0.08 0.00 0.00 0.00 175.76 175.77 3h46 s VAL 365 N -3.88 0.41 0.08 0.00 1.01 -1.26 -0.41 120.40 116.35 3h46 s VAL 365 Ca 0.07 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3h46 s VAL 365 Cb 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 3h46 s VAL 365 CO -0.09 0.04 -0.06 -0.36 0.00 0.00 0.00 175.10 174.63 3h46 s PHE 366 N -0.30 0.80 -0.23 5.22 0.08 0.15 -4.87 117.98 118.83 3h46 s PHE 366 Ca 0.00 -0.90 0.00 0.00 0.12 0.00 0.00 56.93 56.15 3h46 s PHE 366 Cb -0.03 -0.48 0.00 0.00 -0.57 0.00 0.00 43.02 41.94 3h46 s PHE 366 CO -0.00 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.35 3h46 n GLY 367 N 0.14 0.55 3.75 4.36 0.00 -1.26 -1.11 105.19 111.61 3h46 n GLY 367 Ca -0.14 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 3h46 n GLY 367 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h46 s LEU 368 N -0.49 4.48 0.34 0.99 1.43 -1.26 -4.48 118.68 119.68 3h46 s LEU 368 Ca 0.00 2.40 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 3h46 s LEU 368 Cb 0.00 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 3h46 s LEU 368 CO 0.00 -0.35 0.11 0.42 0.23 0.00 0.00 176.35 176.76 3h46 s THR 369 N -0.74 0.70 0.53 5.49 -4.23 -1.26 -5.02 115.64 111.11 3h46 s THR 369 Ca 0.49 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.21 3h46 s THR 369 Cb -0.35 -2.55 0.32 0.00 1.34 0.00 0.00 72.50 71.26 3h46 s THR 369 CO 0.43 0.00 2.10 -0.09 -0.54 0.00 0.00 174.62 176.52 3h46 h ARG 370 N 2.06 0.00 0.00 3.99 9.65 -2.06 -1.94 114.38 126.07 3h46 h ARG 370 Ca -0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 3h46 h ARG 370 Cb 1.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 3h46 h ARG 370 CO 0.60 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.78 3h46 n GLY 371 N -1.56 -1.39 3.67 2.80 0.00 -1.26 -4.85 105.19 102.60 3h46 n GLY 371 Ca 0.02 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3h46 n GLY 371 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h46 s THR 372 N -2.83 3.28 0.46 2.61 2.01 -0.73 -4.94 115.64 115.50 3h46 s THR 372 Ca 0.19 0.54 0.08 0.00 0.31 0.00 0.00 61.69 62.81 3h46 s THR 372 Cb 0.19 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.37 3h46 s THR 372 CO 0.49 -0.03 0.52 0.42 -0.69 0.00 0.00 174.62 175.34 3h46 s THR 373 N 3.43 2.58 0.24 -0.82 -4.23 -1.26 -4.96 115.64 110.62 3h46 s THR 373 Ca 0.75 -1.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.04 3h46 s THR 373 Cb -0.37 -2.76 0.21 0.00 1.34 0.00 0.00 72.50 70.92 3h46 s THR 373 CO 0.32 0.00 1.79 0.50 -0.54 0.00 0.00 174.62 176.69 3h46 h LYS 374 N 0.71 0.68 -0.46 3.99 3.64 -2.00 -2.02 116.57 121.11 3h46 h LYS 374 Ca -0.38 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 3h46 h LYS 374 Cb 1.28 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3h46 h LYS 374 CO 0.50 0.45 0.26 0.93 -2.27 0.00 0.00 179.45 179.32 3h46 h GLU 375 N 0.70 0.51 -0.62 1.90 3.07 -1.95 -1.34 114.58 116.85 3h46 h GLU 375 Ca 0.39 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.23 3h46 h GLU 375 Cb 0.42 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 3h46 h GLU 375 CO -0.27 0.34 0.41 -0.44 -1.40 0.00 0.00 179.01 177.64 3h46 h ASP 376 N 0.53 0.71 -0.54 1.42 3.32 -1.74 -0.66 116.42 119.46 3h46 h ASP 376 Ca 0.19 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 3h46 h ASP 376 Cb 0.04 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3h46 h ASP 376 CO -0.10 0.52 -0.05 0.15 -1.72 0.00 0.00 179.24 178.04 3h46 h PHE 377 N 0.84 1.09 -0.25 4.55 3.57 -0.92 -1.08 116.94 124.74 3h46 h PHE 377 Ca 0.23 -0.21 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 3h46 h PHE 377 Cb -0.10 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.36 3h46 h PHE 377 CO -0.03 1.00 -0.33 0.28 -2.23 0.00 0.00 178.31 177.00 3h46 h VAL 378 N 0.86 1.31 -0.64 1.41 2.07 -1.14 -1.70 116.25 118.42 3h46 h VAL 378 Ca 0.15 -1.52 0.07 0.00 0.82 0.00 0.00 66.70 66.21 3h46 h VAL 378 Cb 0.60 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 3h46 h VAL 378 CO 0.04 0.48 0.33 -0.09 0.02 0.00 0.00 177.57 178.35 3h46 h ARG 379 N 0.39 0.59 -0.65 1.57 2.43 -0.97 -1.71 114.38 116.03 3h46 h ARG 379 Ca 0.03 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3h46 h ARG 379 Cb 0.91 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3h46 h ARG 379 CO 0.08 0.39 0.22 0.00 -1.51 0.00 0.00 179.97 179.15 3h46 h ALA 380 N 1.36 1.17 -0.51 2.80 0.00 -1.04 -1.66 119.26 121.37 3h46 h ALA 380 Ca 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3h46 h ALA 380 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h46 h ALA 380 CO -0.21 0.59 0.18 1.15 0.00 0.00 0.00 179.25 180.96 3h46 h THR 381 N 0.95 1.22 -0.55 0.00 2.02 -0.75 -2.64 112.91 113.16 3h46 h THR 381 Ca 0.21 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 3h46 h THR 381 Cb 0.25 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3h46 h THR 381 CO -0.01 0.27 -0.01 -0.07 0.37 0.00 0.00 175.52 176.07 3h46 h LEU 382 N 0.68 0.93 -1.57 2.58 3.38 -1.03 -2.95 115.31 117.33 3h46 h LEU 382 Ca 0.17 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3h46 h LEU 382 Cb 0.24 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3h46 h LEU 382 CO -0.01 0.99 -0.17 1.56 0.09 0.00 0.00 178.44 180.90 3h46 h GLN 383 N 0.87 0.00 -0.90 1.13 4.20 -1.04 -3.15 115.11 116.23 3h46 h GLN 383 Ca 0.16 0.00 0.17 0.00 0.06 0.00 0.00 58.65 59.04 3h46 h GLN 383 Cb 0.53 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.20 3h46 h GLN 383 CO 0.03 0.17 0.48 0.00 -0.67 0.00 0.00 178.83 178.83 3h46 h ALA 384 N 1.83 1.41 -0.11 3.87 0.00 -1.29 -1.40 119.26 123.58 3h46 h ALA 384 Ca -0.00 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3h46 h ALA 384 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3h46 h ALA 384 CO 0.02 -0.11 -0.50 -0.24 0.00 0.00 0.00 179.25 178.41 3h46 h VAL 385 N 0.63 1.34 -0.29 0.00 3.04 -1.75 -1.20 116.25 118.02 3h46 h VAL 385 Ca 0.51 -1.74 -0.05 0.00 -1.01 0.00 0.00 66.70 64.41 3h46 h VAL 385 Cb 0.78 1.82 -0.01 0.00 -2.01 0.00 0.00 31.29 31.87 3h46 h VAL 385 CO -0.39 0.52 0.00 0.00 -1.01 0.00 0.00 177.57 176.69 3h46 h ALA 386 N 1.25 0.39 -0.22 3.17 0.00 -1.46 -0.90 119.26 121.49 3h46 h ALA 386 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3h46 h ALA 386 Cb 0.97 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3h46 h ALA 386 CO 0.08 0.14 0.11 1.88 0.00 0.00 0.00 179.25 181.46 3h46 h TYR 387 N 0.31 0.32 0.00 0.00 0.05 -1.09 -2.46 116.97 114.09 3h46 h TYR 387 Ca 0.08 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.77 3h46 h TYR 387 Cb 0.43 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 3h46 h TYR 387 CO 0.04 0.32 -0.38 0.37 -1.05 0.00 0.00 178.16 177.46 3h46 h GLN 388 N 0.23 0.00 -0.82 4.88 4.15 -1.23 -1.53 115.11 120.79 3h46 h GLN 388 Ca 0.08 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.50 3h46 h GLN 388 Cb 0.12 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 3h46 h GLN 388 CO -0.01 0.38 0.54 0.77 -1.93 0.00 0.00 178.83 178.58 3h46 h SER 389 N 0.00 0.95 -0.39 -0.69 0.02 -0.96 -1.52 113.55 110.96 3h46 h SER 389 Ca -0.00 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 3h46 h SER 389 Cb 0.69 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3h46 h SER 389 CO 0.05 0.70 -0.07 0.50 -1.14 0.00 0.00 176.83 176.86 3h46 h LYS 390 N 1.12 0.74 -0.55 3.45 3.64 -0.84 0.35 116.57 124.48 3h46 h LYS 390 Ca 0.30 -0.27 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 3h46 h LYS 390 Cb -0.12 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 31.56 3h46 h LYS 390 CO -0.06 0.87 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.51 3h46 h ASP 391 N 0.55 -0.31 -0.17 4.20 3.32 -0.81 -0.12 116.42 123.08 3h46 h ASP 391 Ca 0.10 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 3h46 h ASP 391 Cb 0.58 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3h46 h ASP 391 CO 0.03 -0.11 0.02 0.58 -1.72 0.00 0.00 179.24 178.04 3h46 h VAL 392 N 0.09 1.23 -0.39 -1.35 2.07 -0.96 -2.02 116.25 114.91 3h46 h VAL 392 Ca 0.28 -0.74 -0.11 0.00 0.82 0.00 0.00 66.70 66.96 3h46 h VAL 392 Cb 0.44 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3h46 h VAL 392 CO -0.49 0.22 -0.19 0.40 0.02 0.00 0.00 177.57 177.53 3h46 h ILE 393 N 0.06 1.27 -0.93 4.57 2.04 -0.52 0.82 117.51 124.82 3h46 h ILE 393 Ca 0.05 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 3h46 h ILE 393 Cb 0.32 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3h46 h ILE 393 CO 0.00 0.43 0.54 0.44 0.00 0.00 0.00 178.15 179.56 3h46 h ASP 394 N 0.65 1.13 -0.83 1.72 3.32 -1.03 -1.41 116.42 119.97 3h46 h ASP 394 Ca 0.10 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3h46 h ASP 394 Cb 0.68 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 3h46 h ASP 394 CO 0.05 0.88 0.37 0.74 -1.72 0.00 0.00 179.24 179.56 3h46 h THR 395 N 1.29 1.26 -0.64 0.35 2.02 -0.58 -1.58 112.91 115.03 3h46 h THR 395 Ca 0.33 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 3h46 h THR 395 Cb -0.02 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 3h46 h THR 395 CO -0.06 0.33 0.12 0.24 0.37 0.00 0.00 175.52 176.52 3h46 h MET 396 N 1.20 1.03 -0.45 6.66 2.86 -0.34 0.61 114.93 126.50 3h46 h MET 396 Ca 0.28 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3h46 h MET 396 Cb 0.16 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3h46 h MET 396 CO -0.03 0.93 0.09 0.87 1.06 0.00 0.00 176.91 179.83 3h46 h LYS 397 N 0.97 0.73 0.05 1.72 1.57 -1.09 0.23 116.57 120.75 3h46 h LYS 397 Ca 0.20 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3h46 h LYS 397 Cb 0.39 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3h46 h LYS 397 CO 0.01 0.74 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.38 3h46 h LYS 398 N 0.60 -0.07 -0.42 3.15 3.64 -0.86 0.45 116.57 123.06 3h46 h LYS 398 Ca 0.14 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3h46 h LYS 398 Cb 0.35 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3h46 h LYS 398 CO 0.00 0.06 0.21 -0.44 -2.27 0.00 0.00 179.45 177.02 3h46 h ASP 399 N -0.18 0.55 0.54 4.20 3.32 -0.86 -3.25 116.42 120.72 3h46 h ASP 399 Ca -0.01 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3h46 h ASP 399 Cb 0.16 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3h46 h ASP 399 CO 0.01 0.52 -0.59 -1.54 -1.72 0.00 0.00 179.24 175.91 3h46 n SER 400 N -4.68 0.56 0.00 6.45 3.41 0.06 -4.36 113.62 115.06 3h46 n SER 400 Ca 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 3h46 n SER 400 Cb 0.11 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3h46 n SER 400 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h46 n GLY 401 N 1.46 0.00 3.83 5.00 0.00 0.14 -4.95 105.19 110.67 3h46 n GLY 401 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3h46 n GLY 401 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h46 s ILE 402 N -0.88 5.28 0.46 -0.61 1.01 -1.25 -5.05 121.20 120.16 3h46 s ILE 402 Ca 0.00 0.52 -0.19 0.00 0.00 0.00 0.00 60.65 60.98 3h46 s ILE 402 Cb 0.00 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.81 3h46 s ILE 402 CO 0.00 0.56 0.95 -0.62 0.00 0.00 0.00 174.94 175.83 3h46 s ASP 403 N -0.78 6.79 -0.46 3.58 2.15 -1.26 -4.52 116.67 122.17 3h46 s ASP 403 Ca 0.19 1.60 0.02 0.00 0.43 0.00 0.00 52.55 54.78 3h46 s ASP 403 Cb -0.14 -2.51 0.12 0.00 -0.30 0.00 0.00 42.92 40.09 3h46 s ASP 403 CO 0.08 -0.44 0.21 -0.63 -0.17 0.00 0.00 175.17 174.21 3h46 s ILE 404 N -2.35 2.76 -0.77 4.11 1.01 -1.26 -4.95 121.20 119.75 3h46 s ILE 404 Ca 0.60 -2.75 0.26 0.00 0.00 0.00 0.00 60.65 58.76 3h46 s ILE 404 Cb -0.09 -2.93 0.23 0.00 0.01 0.00 0.00 42.46 39.68 3h46 s ILE 404 CO 0.21 -0.73 1.72 -0.81 0.00 0.00 0.00 174.94 175.33 3h46 n PRO 405 N 3.78 0.22 -3.69 2.79 -0.04 -1.26 -4.87 135.00 131.93 3h46 n PRO 405 Ca 0.04 0.16 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 3h46 n PRO 405 Cb 0.38 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 3h46 n PRO 405 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h46 s LEU 406 N -4.21 -0.18 -0.21 1.53 2.96 -1.26 -3.34 118.68 113.97 3h46 s LEU 406 Ca 0.10 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 55.00 3h46 s LEU 406 Cb 0.14 1.56 0.00 0.00 0.50 0.00 0.00 46.19 48.39 3h46 s LEU 406 CO 0.61 -0.20 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.13 3h46 s LEU 407 N 1.24 2.67 0.19 -0.68 2.96 -0.46 -4.74 118.68 119.86 3h46 s LEU 407 Ca -0.08 -0.50 -0.21 0.00 -0.22 0.00 0.00 54.13 53.12 3h46 s LEU 407 Cb -0.07 -1.65 -0.08 0.00 0.50 0.00 0.00 46.19 44.89 3h46 s LEU 407 CO -0.12 -0.02 0.72 -0.54 -1.32 0.00 0.00 176.35 175.08 3h46 s LYS 408 N 1.41 4.35 0.05 1.98 1.02 -1.08 -0.16 119.74 127.30 3h46 s LYS 408 Ca 0.05 0.94 0.02 0.00 0.02 0.00 0.00 55.97 57.01 3h46 s LYS 408 Cb -0.14 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 3h46 s LYS 408 CO -0.06 0.48 -0.07 0.14 -0.92 0.00 0.00 175.35 174.91 3h46 s VAL 409 N -1.36 0.51 0.32 3.17 -7.23 0.85 -1.21 120.40 115.44 3h46 s VAL 409 Ca 0.39 -1.20 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 3h46 s VAL 409 Cb -0.19 -0.75 0.03 0.00 0.56 0.00 0.00 36.38 36.04 3h46 s VAL 409 CO 0.22 -0.48 0.57 -0.90 -0.31 0.00 0.00 175.10 174.20 3h46 n ASP 410 N 1.23 -1.64 0.00 4.85 5.68 -0.62 -1.49 116.55 124.56 3h46 n ASP 410 Ca -0.21 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 3h46 n ASP 410 Cb 0.56 2.82 0.00 0.00 -1.14 0.00 0.00 41.12 43.35 3h46 n ASP 410 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h46 n GLY 411 N -0.46 2.57 0.23 6.12 0.00 -0.79 -0.85 105.19 112.01 3h46 n GLY 411 Ca -0.05 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.10 3h46 n GLY 411 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h46 h GLY 412 N 0.00 0.79 2.00 -0.02 0.00 -1.78 -1.26 103.07 102.79 3h46 h GLY 412 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3h46 h GLY 412 CO 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.42 3h46 n ALA 413 N -2.61 1.64 1.21 3.60 0.00 -0.73 -2.50 120.51 121.13 3h46 n ALA 413 Ca 0.09 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.73 3h46 n ALA 413 Cb 0.34 -1.37 0.63 0.00 0.00 0.00 0.00 19.45 19.04 3h46 n ALA 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h46 n ALA 414 N -1.75 2.26 0.26 0.00 0.00 -0.48 -2.94 120.51 117.86 3h46 n ALA 414 Ca 0.02 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3h46 n ALA 414 Cb 0.22 -1.39 0.72 0.00 0.00 0.00 0.00 19.45 18.99 3h46 n ALA 414 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3h46 h LYS 415 N 0.00 0.00 -5.96 0.00 2.10 -1.64 -3.41 116.57 107.67 3h46 h LYS 415 Ca 0.00 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.18 3h46 h LYS 415 Cb 0.18 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.47 3h46 h LYS 415 CO 0.00 0.12 1.25 1.21 -2.00 0.00 0.00 179.45 180.02 3h46 s ASN 416 N -6.26 5.30 0.24 7.07 3.84 -1.15 -4.87 114.94 119.11 3h46 s ASN 416 Ca -0.03 0.13 -0.05 0.00 0.21 0.00 0.00 52.86 53.12 3h46 s ASN 416 Cb 0.14 -2.54 0.44 0.00 -0.55 0.00 0.00 41.25 38.74 3h46 s ASN 416 CO 0.59 -2.40 1.74 0.44 -2.79 0.00 0.00 177.10 174.68 3h46 h ASP 417 N 14.13 0.32 -0.54 -4.21 3.32 -1.92 -1.76 116.42 125.77 3h46 h ASP 417 Ca -0.20 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3h46 h ASP 417 Cb 1.13 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 3h46 h ASP 417 CO 1.22 0.13 0.05 -0.07 -1.72 0.00 0.00 179.24 178.86 3h46 h LEU 418 N 0.47 0.88 -0.95 1.55 3.38 -1.97 -0.38 115.31 118.29 3h46 h LEU 418 Ca 0.40 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3h46 h LEU 418 Cb 0.58 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3h46 h LEU 418 CO -0.38 0.94 0.63 0.25 0.09 0.00 0.00 178.44 179.97 3h46 h LEU 419 N 0.79 1.09 -0.31 1.67 5.85 -1.88 -0.33 115.31 122.19 3h46 h LEU 419 Ca 0.16 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 3h46 h LEU 419 Cb 0.46 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3h46 h LEU 419 CO 0.02 0.79 -0.34 0.24 -0.34 0.00 0.00 178.44 178.81 3h46 h MET 420 N 1.29 0.78 -0.40 1.25 2.86 -0.88 -1.39 114.93 118.44 3h46 h MET 420 Ca 0.35 -0.42 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3h46 h MET 420 Cb -0.15 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 3h46 h MET 420 CO -0.07 1.05 0.15 0.37 1.06 0.00 0.00 176.91 179.46 3h46 h GLN 421 N 0.55 0.30 -0.43 1.72 5.75 -1.00 -0.97 115.11 121.04 3h46 h GLN 421 Ca 0.05 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.59 3h46 h GLN 421 Cb 0.92 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.35 3h46 h GLN 421 CO 0.08 0.20 0.13 0.35 -2.65 0.00 0.00 178.83 176.94 3h46 h PHE 422 N 0.31 0.23 -0.20 3.99 3.57 -0.91 0.19 116.94 124.12 3h46 h PHE 422 Ca 0.18 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3h46 h PHE 422 Cb 0.16 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 3h46 h PHE 422 CO -0.14 0.07 -0.12 0.37 -2.23 0.00 0.00 178.31 176.26 3h46 h GLN 423 N 0.29 -0.11 -0.47 1.11 5.75 -0.82 0.38 115.11 121.24 3h46 h GLN 423 Ca 0.20 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.73 3h46 h GLN 423 Cb 0.21 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 3h46 h GLN 423 CO -0.22 -0.07 0.27 0.00 -2.65 0.00 0.00 178.83 176.16 3h46 h ALA 424 N 1.04 0.60 -0.37 3.38 0.00 -0.97 -1.63 119.26 121.31 3h46 h ALA 424 Ca 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3h46 h ALA 424 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3h46 h ALA 424 CO -0.27 -0.04 0.19 -0.44 0.00 0.00 0.00 179.25 178.69 3h46 h ASP 425 N 0.55 0.28 0.75 0.00 3.32 -0.49 0.65 116.42 121.48 3h46 h ASP 425 Ca 0.19 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.08 3h46 h ASP 425 Cb 0.03 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3h46 h ASP 425 CO -0.09 0.21 -0.84 0.16 -1.72 0.00 0.00 179.24 176.95 3h46 h ILE 426 N 0.39 1.56 0.00 0.35 3.07 -0.80 -3.08 117.51 119.00 3h46 h ILE 426 Ca 0.16 -2.76 -0.14 0.00 1.55 0.00 0.00 64.86 63.67 3h46 h ILE 426 Cb 0.06 2.51 -0.02 0.00 -0.27 0.00 0.00 36.82 39.09 3h46 h ILE 426 CO -0.10 0.79 -0.68 -0.07 -1.05 0.00 0.00 178.15 177.04 3h46 h LEU 427 N 0.03 0.00 -1.11 0.16 3.38 -1.05 -3.48 115.31 113.24 3h46 h LEU 427 Ca -0.02 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.52 3h46 h LEU 427 Cb 1.47 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.27 3h46 h LEU 427 CO 0.12 0.68 -0.75 -0.67 0.09 0.00 0.00 178.44 177.91 3h46 n ASP 428 N -3.39 -4.53 -4.00 -0.43 2.03 0.22 -5.01 116.55 101.45 3h46 n ASP 428 Ca 0.01 -0.70 -0.08 0.00 0.52 0.00 0.00 54.79 54.53 3h46 n ASP 428 Cb 0.76 -4.35 -0.10 0.00 -0.72 0.00 0.00 41.12 36.71 3h46 n ASP 428 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3h46 s ILE 429 N -3.37 0.17 0.31 5.18 -4.36 -1.18 -4.97 121.20 112.98 3h46 s ILE 429 Ca 0.49 -1.38 -0.29 0.00 -0.26 0.00 0.00 60.65 59.21 3h46 s ILE 429 Cb -0.24 -1.10 -0.11 0.00 1.25 0.00 0.00 42.46 42.27 3h46 s ILE 429 CO 0.79 -0.76 1.43 -1.81 0.24 0.00 0.00 174.94 174.82 3h46 s ASP 430 N -2.43 6.58 -0.18 4.36 -0.00 -1.21 -4.48 116.67 119.30 3h46 s ASP 430 Ca -0.01 2.81 -0.01 0.00 -0.00 0.00 0.00 52.55 55.34 3h46 s ASP 430 Cb 0.02 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.30 3h46 s ASP 430 CO -0.07 -0.72 -0.13 -0.69 -0.00 0.00 0.00 175.17 173.57 3h46 s VAL 431 N -0.67 2.75 -0.35 -1.27 1.01 -0.27 -1.35 120.40 120.26 3h46 s VAL 431 Ca 0.55 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 3h46 s VAL 431 Cb -0.43 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 33.78 3h46 s VAL 431 CO 0.52 0.49 0.15 -1.58 0.00 0.00 0.00 175.10 174.68 3h46 s GLN 432 N 1.18 2.85 0.06 2.72 0.74 0.77 -0.57 119.66 127.41 3h46 s GLN 432 Ca 0.02 -1.05 -0.20 0.00 0.05 0.00 0.00 55.36 54.18 3h46 s GLN 432 Cb -0.14 -3.58 -0.07 0.00 1.10 0.00 0.00 33.01 30.33 3h46 s GLN 432 CO -0.05 -0.63 0.58 0.50 -0.55 0.00 0.00 175.29 175.15 3h46 s ARG 433 N 1.50 4.23 0.36 1.67 3.52 0.50 -0.11 118.95 130.63 3h46 s ARG 433 Ca 0.01 0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 56.10 3h46 s ARG 433 Cb -0.19 -3.26 -0.09 0.00 -1.56 0.00 0.00 34.95 29.85 3h46 s ARG 433 CO 0.05 0.59 1.20 0.00 -0.81 0.00 0.00 175.30 176.33 3h46 s ALA 434 N -0.96 3.29 0.27 6.12 0.00 -0.56 -2.74 121.76 127.18 3h46 s ALA 434 Ca 0.30 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.28 3h46 s ALA 434 Cb -0.19 -3.41 0.39 0.00 0.00 0.00 0.00 23.12 19.91 3h46 s ALA 434 CO 0.19 -0.52 1.91 0.00 0.00 0.00 0.00 175.76 177.34 3h46 h ALA 435 N 3.03 1.39 -3.09 0.00 0.00 -1.81 -3.34 119.26 115.43 3h46 h ALA 435 Ca -0.48 -0.04 -0.70 0.00 0.00 0.00 0.00 54.91 53.68 3h46 h ALA 435 Cb 1.23 -0.34 -0.32 0.00 0.00 0.00 0.00 17.79 18.37 3h46 h ALA 435 CO 0.64 0.51 -0.55 1.21 0.00 0.00 0.00 179.25 181.06 3h46 s ASN 436 N -6.03 5.32 0.59 0.00 2.47 -1.26 -4.99 114.94 111.04 3h46 s ASN 436 Ca -0.12 -1.68 0.29 0.00 0.42 0.00 0.00 52.86 51.76 3h46 s ASN 436 Cb 0.19 -1.86 1.73 0.00 -1.45 0.00 0.00 41.25 39.86 3h46 s ASN 436 CO 0.81 -0.48 2.19 -0.07 -3.72 0.00 0.00 177.10 175.83 3h46 h LEU 437 N 8.17 0.00 -6.08 3.21 3.38 -1.92 -3.18 115.31 118.88 3h46 h LEU 437 Ca -0.18 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.06 3h46 h LEU 437 Cb 1.06 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 3h46 h LEU 437 CO 0.68 0.00 2.67 -0.62 0.09 0.00 0.00 178.44 181.26 3h46 n GLU 438 N -3.87 3.38 0.23 1.13 -0.58 -1.26 -1.89 120.64 117.78 3h46 n GLU 438 Ca -0.01 -3.03 0.13 0.00 -0.42 0.00 0.00 57.16 53.83 3h46 n GLU 438 Cb 0.18 -3.04 0.36 0.00 -0.57 0.00 0.00 31.44 28.37 3h46 n GLU 438 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3h46 h THR 439 N 3.70 0.13 0.11 2.62 1.35 -1.93 -3.07 112.91 115.82 3h46 h THR 439 Ca 0.53 -0.95 0.02 0.00 -0.55 0.00 0.00 66.41 65.46 3h46 h THR 439 Cb 0.58 1.85 -0.04 0.00 -1.73 0.00 0.00 68.15 68.81 3h46 h THR 439 CO 1.74 0.06 -0.28 0.74 -0.25 0.00 0.00 175.52 177.53 3h46 h THR 440 N 0.00 0.38 -0.51 6.82 2.02 -1.82 -0.32 112.91 119.49 3h46 h THR 440 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3h46 h THR 440 Cb 0.84 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3h46 h THR 440 CO 0.01 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.09 3h46 h ALA 441 N 0.22 0.66 -0.62 6.16 0.00 -1.90 -2.43 119.26 121.35 3h46 h ALA 441 Ca 0.03 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3h46 h ALA 441 Cb 0.53 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3h46 h ALA 441 CO -0.17 0.27 0.24 1.25 0.00 0.00 0.00 179.25 180.84 3h46 h LEU 442 N 0.68 0.24 -0.80 0.00 5.85 -1.47 -0.51 115.31 119.30 3h46 h LEU 442 Ca 0.17 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3h46 h LEU 442 Cb 0.21 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3h46 h LEU 442 CO -0.01 0.14 0.48 1.23 -0.34 0.00 0.00 178.44 179.93 3h46 h GLY 443 N 0.42 1.16 1.43 3.75 0.00 -0.69 0.07 103.07 109.21 3h46 h GLY 443 Ca 0.32 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 3h46 h GLY 443 CO -0.31 0.47 -0.29 0.00 0.00 0.00 0.00 176.54 176.41 3h46 h ALA 444 N 1.25 0.91 -0.54 3.60 0.00 -0.92 -2.11 119.26 121.46 3h46 h ALA 444 Ca 0.29 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3h46 h ALA 444 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3h46 h ALA 444 CO -0.05 0.62 0.14 0.00 0.00 0.00 0.00 179.25 179.96 3h46 h ALA 445 N 1.12 0.71 -0.10 0.00 0.00 -0.59 -2.13 119.26 118.27 3h46 h ALA 445 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3h46 h ALA 445 Cb 0.78 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3h46 h ALA 445 CO 0.06 0.40 -0.01 1.88 0.00 0.00 0.00 179.25 181.58 3h46 h TYR 446 N 0.75 -0.02 -0.27 0.00 0.05 -0.77 0.17 116.97 116.88 3h46 h TYR 446 Ca 0.17 0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.02 3h46 h TYR 446 Cb 0.32 0.02 -0.07 0.00 1.01 0.00 0.00 36.73 38.02 3h46 h TYR 446 CO 0.02 -0.02 -0.19 -0.07 -1.05 0.00 0.00 178.16 176.85 3h46 h LEU 447 N 0.02 -0.61 -0.23 3.88 3.38 -1.27 -0.21 115.31 120.27 3h46 h LEU 447 Ca 0.05 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3h46 h LEU 447 Cb 0.06 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3h46 h LEU 447 CO -0.09 -0.23 0.12 0.00 0.09 0.00 0.00 178.44 178.33 3h46 h ALA 448 N 0.98 0.30 -0.92 1.53 0.00 -1.15 -2.14 119.26 117.86 3h46 h ALA 448 Ca 0.15 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3h46 h ALA 448 Cb 0.39 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3h46 h ALA 448 CO -0.37 -0.15 0.60 0.78 0.00 0.00 0.00 179.25 180.11 3h46 h GLY 449 N 0.25 1.35 1.05 0.00 0.00 -0.32 -2.54 103.07 102.87 3h46 h GLY 449 Ca 0.08 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 3h46 h GLY 449 CO -0.01 0.38 0.07 1.41 0.00 0.00 0.00 176.54 178.39 3h46 h LEU 450 N 1.15 1.00 -1.22 3.11 3.38 -0.95 0.27 115.31 122.05 3h46 h LEU 450 Ca 0.37 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3h46 h LEU 450 Cb 0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3h46 h LEU 450 CO -0.13 1.02 0.53 0.00 0.09 0.00 0.00 178.44 179.96 3h46 h ALA 451 N 1.01 1.44 -0.02 1.53 0.00 -1.03 -3.01 119.26 119.18 3h46 h ALA 451 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h46 h ALA 451 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h46 h ALA 451 CO 0.02 0.52 -0.35 1.33 0.00 0.00 0.00 179.25 180.77 3h46 n VAL 452 N -4.42 0.00 -0.62 0.00 0.24 -0.99 -4.80 118.33 107.74 3h46 n VAL 452 Ca 0.09 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3h46 n VAL 452 Cb 0.03 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 3h46 n VAL 452 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h46 n GLY 453 N 1.39 0.69 0.22 7.63 0.00 -0.76 -4.95 105.19 109.41 3h46 n GLY 453 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 3h46 n GLY 453 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h46 h PHE 454 N 0.00 0.70 -4.53 1.61 3.57 -0.77 -3.38 116.94 114.14 3h46 h PHE 454 Ca 0.00 -0.02 -0.70 0.00 3.53 0.00 0.00 57.97 60.78 3h46 h PHE 454 Cb 0.00 -0.22 -0.29 0.00 2.79 0.00 0.00 35.95 38.23 3h46 h PHE 454 CO 0.00 0.52 -0.88 -1.58 -2.23 0.00 0.00 178.31 174.14 3h46 s TRP 455 N -5.84 2.36 -0.18 0.41 0.51 -1.04 -5.00 118.94 110.16 3h46 s TRP 455 Ca -0.13 -0.41 -0.03 0.00 -2.12 0.00 0.00 56.10 53.41 3h46 s TRP 455 Cb 0.12 -1.50 -0.22 0.00 -0.81 0.00 0.00 33.47 31.05 3h46 s TRP 455 CO 0.76 -0.00 0.13 1.63 -0.51 0.00 0.00 176.95 178.95 3h46 n LYS 456 N 2.35 0.71 -4.09 4.98 4.76 -1.26 -3.83 118.16 121.79 3h46 n LYS 456 Ca -0.16 0.21 -0.12 0.00 -2.87 0.00 0.00 58.31 55.37 3h46 n LYS 456 Cb 0.51 -1.63 -0.11 0.00 -1.84 0.00 0.00 35.03 31.96 3h46 n LYS 456 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 3h46 s ASP 457 N -6.80 0.92 0.64 4.39 1.47 -1.26 -4.98 116.67 111.05 3h46 s ASP 457 Ca -0.27 -0.65 0.29 0.00 1.18 0.00 0.00 52.55 53.10 3h46 s ASP 457 Cb 0.08 0.05 1.58 0.00 -0.34 0.00 0.00 42.92 44.28 3h46 s ASP 457 CO 0.70 -0.26 1.92 -0.07 0.68 0.00 0.00 175.17 178.14 3h46 h LEU 458 N 4.17 0.00 -0.37 2.11 4.07 -2.01 -2.06 115.31 121.22 3h46 h LEU 458 Ca -0.36 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.42 3h46 h LEU 458 Cb 1.19 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 3h46 h LEU 458 CO 0.46 0.00 -0.81 0.44 -1.08 0.00 0.00 178.44 177.45 3h46 h ASP 459 N 0.00 0.29 0.35 -0.43 3.32 -1.99 -1.83 116.42 116.13 3h46 h ASP 459 Ca 0.06 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 3h46 h ASP 459 Cb 0.80 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3h46 h ASP 459 CO -0.00 0.98 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.96 3h46 h GLU 460 N 0.14 0.00 0.05 3.56 3.07 -1.78 -1.80 114.58 117.82 3h46 h GLU 460 Ca -0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3h46 h GLU 460 Cb 1.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 3h46 h GLU 460 CO 0.13 0.21 -0.03 -0.07 -1.40 0.00 0.00 179.01 177.85 3h46 h LEU 461 N 0.00 -0.06 -1.02 1.33 4.07 -1.49 -3.20 115.31 114.94 3h46 h LEU 461 Ca -0.00 -0.51 0.18 0.00 0.08 0.00 0.00 57.88 57.63 3h46 h LEU 461 Cb 0.44 0.02 -0.10 0.00 1.08 0.00 0.00 40.66 42.10 3h46 h LEU 461 CO 0.03 0.50 0.62 0.11 -1.08 0.00 0.00 178.44 178.62 3h46 h LYS 462 N -0.66 0.78 0.00 1.13 6.56 -1.16 0.51 116.57 123.74 3h46 h LYS 462 Ca -0.01 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3h46 h LYS 462 Cb 0.57 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 3h46 h LYS 462 CO 0.01 0.52 0.00 -1.13 -2.06 0.00 0.00 179.45 176.79 3h46 n SER 463 N -4.73 0.36 0.01 0.86 3.41 -0.69 -1.27 113.62 111.56 3h46 n SER 463 Ca 0.22 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.55 3h46 n SER 463 Cb 0.53 -0.67 0.28 0.00 -0.26 0.00 0.00 64.21 64.10 3h46 n SER 463 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3h46 n MET 464 N -1.90 0.04 -1.77 4.33 2.81 0.17 -4.93 117.12 115.86 3h46 n MET 464 Ca 0.02 0.01 -0.42 0.00 -1.81 0.00 0.00 57.70 55.50 3h46 n MET 464 Cb 0.18 -1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 3h46 n MET 464 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h46 s ALA 465 N -3.02 3.71 -0.37 3.04 0.00 -0.40 -4.96 121.76 119.77 3h46 s ALA 465 Ca 0.11 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3h46 s ALA 465 Cb 0.17 -3.76 0.12 0.00 0.00 0.00 0.00 23.12 19.66 3h46 s ALA 465 CO 0.68 -1.25 0.18 -1.21 0.00 0.00 0.00 175.76 174.17 3h46 s GLU 466 N 3.01 0.86 0.95 0.00 2.02 -1.26 -5.11 118.70 119.17 3h46 s GLU 466 Ca 0.80 -1.47 -0.12 0.00 0.02 0.00 0.00 54.97 54.21 3h46 s GLU 466 Cb -0.44 -1.89 0.10 0.00 0.10 0.00 0.00 34.13 32.00 3h46 s GLU 466 CO 0.36 -1.11 0.74 0.39 0.02 0.00 0.00 175.26 175.66 3h46 n GLU 467 N 4.16 -0.47 0.00 1.61 -0.58 -1.26 -4.35 120.64 119.75 3h46 n GLU 467 Ca 0.05 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3h46 n GLU 467 Cb 0.38 -2.09 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 3h46 n GLU 467 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h46 n GLY 468 N 0.95 3.50 3.70 0.62 0.00 -1.15 -4.60 105.19 108.20 3h46 n GLY 468 Ca 0.09 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 3h46 n GLY 468 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h46 s GLN 469 N 3.10 4.24 -0.20 1.61 -1.52 -1.11 -4.79 119.66 120.98 3h46 s GLN 469 Ca 0.00 2.22 -0.10 0.00 -1.95 0.00 0.00 55.36 55.53 3h46 s GLN 469 Cb 0.00 -3.45 -0.05 0.00 -0.22 0.00 0.00 33.01 29.29 3h46 s GLN 469 CO 0.00 -0.63 0.13 1.41 -0.25 0.00 0.00 175.29 175.95 3h46 s MET 470 N 2.04 4.15 -0.24 2.91 -2.45 -1.26 -0.37 119.30 124.08 3h46 s MET 470 Ca 0.70 -0.24 -0.07 0.00 -1.25 0.00 0.00 55.69 54.82 3h46 s MET 470 Cb -0.38 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.25 3h46 s MET 470 CO 0.31 0.26 0.06 -0.06 1.05 0.00 0.00 175.02 176.63 3h46 s PHE 471 N 0.48 3.09 0.00 4.11 0.08 0.27 -5.00 117.98 121.01 3h46 s PHE 471 Ca 0.07 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.73 3h46 s PHE 471 Cb -0.12 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 3h46 s PHE 471 CO -0.01 -0.31 0.02 0.95 -0.10 0.00 0.00 175.22 175.77 3h46 s THR 472 N 1.44 4.30 0.25 0.64 -4.23 -1.26 -1.12 115.64 115.66 3h46 s THR 472 Ca 0.05 -0.56 -0.31 0.00 -1.18 0.00 0.00 61.69 59.69 3h46 s THR 472 Cb -0.15 -2.94 -0.11 0.00 1.34 0.00 0.00 72.50 70.65 3h46 s THR 472 CO 0.03 0.36 1.59 -2.84 -0.54 0.00 0.00 174.62 173.22 3h46 s PRO 473 N -1.63 4.16 0.00 3.99 0.02 -1.26 -4.80 135.00 135.48 3h46 s PRO 473 Ca 0.21 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3h46 s PRO 473 Cb -0.12 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3h46 s PRO 473 CO 0.11 -0.62 0.65 -0.85 -0.33 0.00 0.00 177.00 175.97 3h46 n GLU 474 N 2.87 0.00 -3.93 5.54 0.28 -1.26 -5.00 120.64 119.14 3h46 n GLU 474 Ca 0.10 -0.64 -0.35 0.00 -0.16 0.00 0.00 57.16 56.12 3h46 n GLU 474 Cb 0.38 -0.46 -0.09 0.00 1.43 0.00 0.00 31.44 32.69 3h46 n GLU 474 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 3h46 s MET 475 N 0.00 4.01 0.79 3.44 1.75 -1.26 -5.08 119.30 122.95 3h46 s MET 475 Ca 0.00 -0.32 -0.14 0.00 -1.25 0.00 0.00 55.69 53.98 3h46 s MET 475 Cb 0.00 -3.27 0.07 0.00 2.84 0.00 0.00 34.83 34.47 3h46 s MET 475 CO 0.00 0.25 1.22 -2.14 -0.65 0.00 0.00 175.02 173.71 3h46 s PRO 476 N 0.44 1.73 0.30 4.11 0.02 -1.26 -4.75 135.00 135.58 3h46 s PRO 476 Ca 0.04 1.81 0.01 0.00 0.02 0.00 0.00 61.00 62.88 3h46 s PRO 476 Cb -0.12 -1.78 0.53 0.00 0.02 0.00 0.00 34.50 33.15 3h46 s PRO 476 CO 0.00 -2.16 1.90 0.00 -0.33 0.00 0.00 177.00 176.41 3h46 h ALA 477 N -0.73 1.51 -0.48 -1.55 0.00 -1.98 -1.93 119.26 114.11 3h46 h ALA 477 Ca -0.47 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3h46 h ALA 477 Cb 1.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3h46 h ALA 477 CO 0.47 0.34 0.02 1.49 0.00 0.00 0.00 179.25 181.57 3h46 h GLU 478 N 1.03 0.82 -0.49 0.00 4.81 -1.99 0.03 114.58 118.79 3h46 h GLU 478 Ca 0.41 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3h46 h GLU 478 Cb 0.24 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3h46 h GLU 478 CO -0.16 0.86 0.14 1.49 -0.73 0.00 0.00 179.01 180.61 3h46 h GLU 479 N 0.68 0.78 -0.42 1.92 4.81 -1.86 -1.94 114.58 118.56 3h46 h GLU 479 Ca 0.14 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 3h46 h GLU 479 Cb 0.48 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3h46 h GLU 479 CO 0.02 0.74 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.90 3h46 h ARG 480 N 0.67 0.78 -0.46 1.92 2.43 -1.21 -1.79 114.38 116.72 3h46 h ARG 480 Ca 0.16 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 3h46 h ARG 480 Cb 0.30 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3h46 h ARG 480 CO -0.00 0.88 0.08 -0.44 -1.51 0.00 0.00 179.97 178.98 3h46 h ASP 481 N 0.61 0.74 -0.22 -3.80 3.32 -0.97 -2.12 116.42 113.98 3h46 h ASP 481 Ca 0.11 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.91 3h46 h ASP 481 Cb 0.56 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3h46 h ASP 481 CO 0.03 0.81 0.13 0.78 -1.72 0.00 0.00 179.24 179.27 3h46 h ASN 482 N 0.64 0.22 -0.44 6.45 2.35 -1.26 0.05 115.58 123.58 3h46 h ASN 482 Ca 0.14 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3h46 h ASN 482 Cb 0.38 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 3h46 h ASN 482 CO 0.01 0.16 0.26 -0.07 -1.65 0.00 0.00 177.43 176.14 3h46 h LEU 483 N 0.27 0.42 -0.50 1.61 3.38 -1.24 -1.51 115.31 117.74 3h46 h LEU 483 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3h46 h LEU 483 Cb -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3h46 h LEU 483 CO -0.03 0.30 -0.55 0.22 0.09 0.00 0.00 178.44 178.47 3h46 h TYR 484 N 0.53 0.73 -0.64 1.13 3.20 -1.33 -2.59 116.97 117.99 3h46 h TYR 484 Ca 0.17 -0.26 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 3h46 h TYR 484 Cb 0.01 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 3h46 h TYR 484 CO -0.07 1.00 0.28 1.49 -1.64 0.00 0.00 178.16 179.21 3h46 h GLU 485 N 0.45 0.93 -0.60 1.82 4.57 -0.73 -1.40 114.58 119.62 3h46 h GLU 485 Ca 0.01 -0.14 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 3h46 h GLU 485 Cb 1.09 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3h46 h GLU 485 CO 0.10 0.74 0.09 0.78 -1.18 0.00 0.00 179.01 179.55 3h46 h GLY 486 N 1.01 1.07 0.49 1.92 0.00 -1.13 -2.41 103.07 104.03 3h46 h GLY 486 Ca 0.22 -0.72 0.05 0.00 0.00 0.00 0.00 47.33 46.89 3h46 h GLY 486 CO -0.02 0.66 -0.02 -0.25 0.00 0.00 0.00 176.54 176.91 3h46 h TRP 487 N 0.90 -0.05 -0.75 5.60 2.91 -1.05 -0.94 115.95 122.56 3h46 h TRP 487 Ca 0.18 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.25 3h46 h TRP 487 Cb 0.43 0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 29.11 3h46 h TRP 487 CO 0.03 -0.07 0.50 0.87 -1.03 0.00 0.00 178.44 178.74 3h46 h LYS 488 N 0.06 0.93 -0.14 2.65 1.57 -1.10 0.18 116.57 120.73 3h46 h LYS 488 Ca 0.14 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.71 3h46 h LYS 488 Cb 0.20 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3h46 h LYS 488 CO -0.26 0.62 -0.57 1.96 -0.57 0.00 0.00 179.45 180.62 3h46 h GLN 489 N 0.96 0.44 -0.15 3.15 4.20 -1.15 -1.20 115.11 121.35 3h46 h GLN 489 Ca 0.29 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3h46 h GLN 489 Cb -0.02 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3h46 h GLN 489 CO -0.08 0.89 0.06 0.00 -0.67 0.00 0.00 178.83 179.03 3h46 h ALA 490 N 1.05 0.20 -0.23 3.87 0.00 -0.53 0.39 119.26 124.01 3h46 h ALA 490 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3h46 h ALA 490 Cb 1.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3h46 h ALA 490 CO 0.10 -0.21 0.08 0.28 0.00 0.00 0.00 179.25 179.50 3h46 h VAL 491 N 0.08 1.19 -0.53 0.00 2.07 -0.94 0.12 116.25 118.24 3h46 h VAL 491 Ca 0.05 -0.58 0.11 0.00 0.82 0.00 0.00 66.70 67.09 3h46 h VAL 491 Cb 0.19 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 3h46 h VAL 491 CO -0.00 0.19 -0.10 0.00 0.02 0.00 0.00 177.57 177.68 3h46 h ALA 492 N 0.91 0.39 -0.40 1.67 0.00 -1.14 0.65 119.26 121.34 3h46 h ALA 492 Ca 0.08 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3h46 h ALA 492 Cb 0.22 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3h46 h ALA 492 CO -0.00 -0.43 0.03 0.00 0.00 0.00 0.00 179.25 178.84 3h46 h ALA 493 N 1.51 0.53 -0.81 0.00 0.00 -0.69 -2.50 119.26 117.31 3h46 h ALA 493 Ca 0.26 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.10 3h46 h ALA 493 Cb 0.40 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 3h46 h ALA 493 CO -0.52 0.29 0.31 1.15 0.00 0.00 0.00 179.25 180.47 3h46 h THR 494 N 0.52 0.56 0.00 0.00 2.02 -0.31 -2.00 112.91 113.71 3h46 h THR 494 Ca 0.12 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3h46 h THR 494 Cb 0.43 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3h46 h THR 494 CO 0.02 0.07 0.00 1.56 0.37 0.00 0.00 175.52 177.54 3h46 h GLN 495 N 0.39 0.00 0.00 6.66 4.20 -0.46 -2.37 115.11 123.53 3h46 h GLN 495 Ca 0.47 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.13 3h46 h GLN 495 Cb 0.80 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3h46 h GLN 495 CO -0.48 0.00 -0.24 1.79 -0.67 0.00 0.00 178.83 179.24 3h46 h THR 496 N 0.00 0.42 -2.61 -0.54 1.35 -1.01 -3.42 112.91 107.11 3h46 h THR 496 Ca 0.00 -1.52 -0.56 0.00 -0.55 0.00 0.00 66.41 63.78 3h46 h THR 496 Cb 0.58 2.14 -0.09 0.00 -1.73 0.00 0.00 68.15 69.05 3h46 h THR 496 CO 0.00 0.23 0.94 0.12 -0.25 0.00 0.00 175.52 176.56 3h46 s PHE 497 N -3.16 2.43 -0.26 4.73 5.36 -0.89 -4.81 117.98 121.38 3h46 s PHE 497 Ca 0.05 -0.04 0.19 0.00 -0.96 0.00 0.00 56.93 56.17 3h46 s PHE 497 Cb 0.07 -4.52 0.50 0.00 -0.34 0.00 0.00 43.02 38.72 3h46 s PHE 497 CO 0.69 -1.88 1.13 1.63 -1.46 0.00 0.00 175.22 175.34 3h46 n LYS 498 N 8.83 2.19 -2.20 10.12 4.76 -1.26 -4.65 118.16 135.95 3h46 n LYS 498 Ca 0.03 -3.66 -0.42 0.00 -2.87 0.00 0.00 58.31 51.39 3h46 n LYS 498 Cb 0.48 -1.76 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 3h46 n LYS 498 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3h46 s PHE 499 N -3.70 2.86 -0.10 2.13 5.36 -1.26 -5.01 117.98 118.26 3h46 s PHE 499 Ca 0.33 0.80 0.01 0.00 -0.96 0.00 0.00 56.93 57.11 3h46 s PHE 499 Cb 0.34 -3.68 0.02 0.00 -0.34 0.00 0.00 43.02 39.36 3h46 s PHE 499 CO -0.02 -2.52 -0.09 0.21 -1.46 0.00 0.00 175.22 171.34 3h46 s LYS 500 N 2.31 1.58 0.68 10.12 2.20 -1.26 -5.13 119.74 130.25 3h46 s LYS 500 Ca 0.64 -0.31 -0.16 0.00 -0.36 0.00 0.00 55.97 55.78 3h46 s LYS 500 Cb -0.32 -1.51 0.01 0.00 -1.51 0.00 0.00 37.83 34.49 3h46 s LYS 500 CO 0.27 -0.16 1.19 0.00 -0.36 0.00 0.00 175.35 176.29 3h46 s ALA 501 N 1.33 2.30 0.00 3.13 0.00 -1.26 -5.35 121.76 121.90 3h46 s ALA 501 Ca -0.02 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3h46 s ALA 501 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3h46 s ALA 501 CO -0.04 -1.57 0.00 1.63 0.00 0.00 0.00 175.76 175.78