#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h70 s LEU 1 N 0.00 2.28 0.00 2.46 1.43 -0.29 -4.97 118.68 119.59 3h70 s LEU 1 Ca 0.00 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3h70 s LEU 1 Cb 0.00 0.00 -0.00 0.00 0.03 0.00 0.00 46.19 46.22 3h70 s LEU 1 CO 0.00 -0.30 0.00 -0.54 0.23 0.00 0.00 176.35 175.74 3h70 s LYS 2 N -1.85 0.03 -0.24 1.70 1.02 -1.26 -0.99 119.74 118.15 3h70 s LYS 2 Ca -0.10 -0.05 -0.18 0.00 0.02 0.00 0.00 55.97 55.67 3h70 s LYS 2 Cb -0.08 0.01 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 3h70 s LYS 2 CO -0.01 -0.00 0.50 -0.51 -0.92 0.00 0.00 175.35 174.40 3h70 s LEU 3 N -0.12 4.08 -0.08 3.17 1.43 -1.26 -0.61 118.68 125.29 3h70 s LEU 3 Ca -0.01 0.54 0.14 0.00 -1.03 0.00 0.00 54.13 53.77 3h70 s LEU 3 Cb -0.01 -2.65 -0.21 0.00 0.03 0.00 0.00 46.19 43.36 3h70 s LEU 3 CO -0.00 -0.24 0.19 0.35 0.23 0.00 0.00 176.35 176.88 3h70 n THR 4 N 4.95 0.48 -3.92 5.49 -2.24 0.22 -0.78 114.28 118.49 3h70 n THR 4 Ca -0.05 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.17 3h70 n THR 4 Cb 0.50 -0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.41 3h70 n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h70 s ALA 5 N -2.70 -0.10 -0.02 6.98 0.00 -1.01 -4.94 121.76 119.97 3h70 s ALA 5 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3h70 s ALA 5 Cb 0.07 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.49 3h70 s ALA 5 CO 0.61 -0.34 0.02 -1.17 0.00 0.00 0.00 175.76 174.88 3h70 s LEU 6 N -2.20 1.25 0.02 0.00 2.96 -1.26 -1.34 118.68 118.12 3h70 s LEU 6 Ca -0.04 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 3h70 s LEU 6 Cb -0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.58 3h70 s LEU 6 CO -0.05 -0.10 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.77 3h70 s HIS 7 N 0.87 0.96 -0.09 5.38 3.76 -0.32 -4.98 115.29 120.87 3h70 s HIS 7 Ca -0.08 -0.29 -0.00 0.00 -0.15 0.00 0.00 55.06 54.54 3h70 s HIS 7 Cb -0.11 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 3h70 s HIS 7 CO -0.02 -0.00 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.74 3h70 s PHE 8 N -0.66 2.96 0.19 1.40 0.08 -1.26 -0.99 117.98 119.69 3h70 s PHE 8 Ca 0.01 -0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.02 3h70 s PHE 8 Cb -0.06 -1.77 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 3h70 s PHE 8 CO 0.00 0.25 -0.02 0.71 -0.10 0.00 0.00 175.22 176.06 3h70 s TYR 9 N -0.54 1.34 0.06 0.36 2.02 -0.23 -1.53 117.35 118.82 3h70 s TYR 9 Ca 0.08 -0.94 0.05 0.00 -0.37 0.00 0.00 57.07 55.89 3h70 s TYR 9 Cb -0.12 -0.76 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 3h70 s TYR 9 CO 0.02 -0.10 -0.15 0.21 -1.57 0.00 0.00 175.55 173.96 3h70 s LYS 10 N -3.87 0.91 -0.02 -0.62 2.20 0.66 -1.14 119.74 117.86 3h70 s LYS 10 Ca 0.24 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 55.00 3h70 s LYS 10 Cb 0.05 -0.94 0.01 0.00 -1.51 0.00 0.00 37.83 35.44 3h70 s LYS 10 CO 0.05 0.22 -0.04 -0.47 -0.36 0.00 0.00 175.35 174.75 3h70 s TYR 11 N -1.03 0.49 -0.42 4.03 5.04 -0.63 -2.27 117.35 122.56 3h70 s TYR 11 Ca 0.01 -0.09 0.04 0.00 -2.44 0.00 0.00 57.07 54.59 3h70 s TYR 11 Cb -0.09 -0.39 0.17 0.00 0.35 0.00 0.00 41.96 42.00 3h70 s TYR 11 CO 0.02 -0.06 0.46 0.45 -1.34 0.00 0.00 175.55 175.07 3h70 s SER 12 N 0.28 0.52 0.13 4.32 0.15 -1.26 -0.78 113.70 117.07 3h70 s SER 12 Ca -0.03 -1.99 -0.06 0.00 0.70 0.00 0.00 55.95 54.57 3h70 s SER 12 Cb -0.07 0.66 -0.06 0.00 -1.71 0.00 0.00 66.02 64.84 3h70 s SER 12 CO -0.00 -0.18 0.40 -1.61 1.20 0.00 0.00 173.24 173.04 3h70 s GLU 13 N 0.95 3.67 0.46 5.44 0.41 -1.26 -4.81 118.70 123.56 3h70 s GLU 13 Ca 0.24 0.01 -0.21 0.00 -0.41 0.00 0.00 54.97 54.60 3h70 s GLU 13 Cb -0.06 -2.86 -0.09 0.00 -1.78 0.00 0.00 34.13 29.33 3h70 s GLU 13 CO -0.08 0.48 1.03 -1.25 -0.49 0.00 0.00 175.26 174.95 3h70 s PRO 14 N -2.49 3.92 0.23 0.39 0.04 -1.26 -1.43 135.00 134.41 3h70 s PRO 14 Ca 0.40 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 3h70 s PRO 14 Cb -0.12 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 3h70 s PRO 14 CO 0.23 -0.33 1.06 -0.06 0.04 0.00 0.00 177.00 177.94 3h70 s PHE 15 N -1.94 3.68 0.18 0.56 0.08 -0.14 -4.61 117.98 115.79 3h70 s PHE 15 Ca 0.65 1.72 -0.13 0.00 0.12 0.00 0.00 56.93 59.29 3h70 s PHE 15 Cb -0.17 -3.21 0.16 0.00 -0.57 0.00 0.00 43.02 39.23 3h70 s PHE 15 CO 0.21 -0.33 1.78 0.87 -0.10 0.00 0.00 175.22 177.64 3h70 h LYS 16 N 4.34 0.45 -5.24 0.44 1.57 -1.26 -3.37 116.57 113.50 3h70 h LYS 16 Ca -0.45 -0.03 -0.66 0.00 -1.87 0.00 0.00 60.65 57.64 3h70 h LYS 16 Cb 1.21 -0.10 -0.28 0.00 0.08 0.00 0.00 32.23 33.14 3h70 h LYS 16 CO 0.69 0.30 -0.77 -1.12 -0.57 0.00 0.00 179.45 177.98 3h70 s SER 17 N -5.47 3.98 0.26 0.86 0.01 -1.26 -5.08 113.70 107.00 3h70 s SER 17 Ca -0.13 -0.37 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 3h70 s SER 17 Cb 0.14 -1.62 -0.13 0.00 0.21 0.00 0.00 66.02 64.62 3h70 s SER 17 CO 0.74 0.12 1.34 1.67 0.41 0.00 0.00 173.24 177.51 3h70 n GLN 18 N 3.86 1.94 -2.90 12.44 7.27 -1.26 -4.92 117.38 133.81 3h70 n GLN 18 Ca -0.18 0.69 -0.41 0.00 0.07 0.00 0.00 57.00 57.16 3h70 n GLN 18 Cb 0.52 -2.30 -0.04 0.00 2.41 0.00 0.00 30.24 30.84 3h70 n GLN 18 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3h70 s ILE 19 N -0.36 4.90 -0.20 1.69 -1.09 -0.35 -4.96 121.20 120.83 3h70 s ILE 19 Ca 0.65 1.62 -0.02 0.00 -2.23 0.00 0.00 60.65 60.67 3h70 s ILE 19 Cb -0.65 -4.13 0.06 0.00 -1.58 0.00 0.00 42.46 36.16 3h70 s ILE 19 CO 0.53 0.06 0.02 -0.69 -1.23 0.00 0.00 174.94 173.63 3h70 s VAL 20 N 1.94 0.69 0.17 2.92 1.01 -1.26 -0.89 120.40 124.98 3h70 s VAL 20 Ca 0.39 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 3h70 s VAL 20 Cb -0.17 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3h70 s VAL 20 CO 0.14 -0.19 0.06 0.42 0.00 0.00 0.00 175.10 175.53 3h70 s THR 21 N 1.78 0.28 0.56 3.92 -4.23 -0.26 -5.03 115.64 112.66 3h70 s THR 21 Ca -0.02 -1.95 0.23 0.00 -1.18 0.00 0.00 61.69 58.77 3h70 s THR 21 Cb -0.17 -2.21 0.32 0.00 1.34 0.00 0.00 72.50 71.78 3h70 s THR 21 CO -0.08 -0.33 2.18 -0.65 -0.54 0.00 0.00 174.62 175.20 3h70 h PRO 22 N 2.72 0.00 0.00 3.99 0.11 -2.00 -2.59 132.00 134.23 3h70 h PRO 22 Ca -0.36 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 3h70 h PRO 22 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3h70 h PRO 22 CO 0.59 0.00 -1.18 0.87 -0.21 0.00 0.00 178.00 178.08 3h70 h LYS 23 N 0.00 0.00 -2.19 1.05 1.57 -1.96 -3.49 116.57 111.56 3h70 h LYS 23 Ca 0.02 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.94 3h70 h LYS 23 Cb 0.11 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.27 3h70 h LYS 23 CO -0.00 0.39 0.53 0.54 -0.57 0.00 0.00 179.45 180.35 3h70 s VAL 24 N -2.90 0.00 -0.13 0.50 0.11 -0.98 -4.91 120.40 112.09 3h70 s VAL 24 Ca -0.01 -0.09 0.03 0.00 -2.93 0.00 0.00 61.98 58.98 3h70 s VAL 24 Cb 0.08 -1.15 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 3h70 s VAL 24 CO 0.80 0.00 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.46 3h70 s THR 25 N -3.05 1.99 -0.12 5.04 2.01 -1.26 -1.11 115.64 119.15 3h70 s THR 25 Ca 0.07 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.13 3h70 s THR 25 Cb -0.01 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.76 3h70 s THR 25 CO -0.07 0.54 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.50 3h70 s LEU 26 N 0.79 1.62 -0.14 4.42 1.43 -0.07 -4.98 118.68 121.75 3h70 s LEU 26 Ca -0.08 -0.42 0.14 0.00 -1.03 0.00 0.00 54.13 52.74 3h70 s LEU 26 Cb -0.16 -1.06 -0.24 0.00 0.03 0.00 0.00 46.19 44.77 3h70 s LEU 26 CO -0.01 -0.03 0.28 0.35 0.23 0.00 0.00 176.35 177.17 3h70 n THR 27 N 4.45 1.49 -4.21 5.49 -2.24 -1.26 -1.21 114.28 116.79 3h70 n THR 27 Ca -0.18 -0.81 -0.12 0.00 -2.27 0.00 0.00 64.05 60.67 3h70 n THR 27 Cb 0.51 -0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 67.85 3h70 n THR 27 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3h70 s HIS 28 N -2.53 1.08 -0.73 4.78 3.76 -1.26 -0.97 115.29 119.42 3h70 s HIS 28 Ca -0.10 -1.04 -0.04 0.00 -0.15 0.00 0.00 55.06 53.74 3h70 s HIS 28 Cb 0.07 -0.62 0.19 0.00 1.11 0.00 0.00 32.58 33.32 3h70 s HIS 28 CO 0.81 -0.25 0.58 0.50 -0.85 0.00 0.00 174.74 175.53 3h70 s ARG 29 N -3.92 2.90 0.25 1.40 6.06 -0.52 -4.87 118.95 120.26 3h70 s ARG 29 Ca 0.21 -2.76 -0.30 0.00 -2.50 0.00 0.00 55.73 50.39 3h70 s ARG 29 Cb 0.06 -3.88 -0.10 0.00 0.06 0.00 0.00 34.95 31.10 3h70 s ARG 29 CO 0.02 -1.21 1.37 -0.51 -2.50 0.00 0.00 175.30 172.46 3h70 s ASP 30 N 0.58 6.76 -0.10 -2.12 1.01 -1.26 -4.04 116.67 117.50 3h70 s ASP 30 Ca 0.20 2.59 -0.07 0.00 0.71 0.00 0.00 52.55 55.98 3h70 s ASP 30 Cb -0.15 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.19 3h70 s ASP 30 CO -0.07 -0.60 0.25 0.00 0.21 0.00 0.00 175.17 174.96 3h70 s LEU 32 N 0.63 4.43 0.04 0.00 2.96 -1.26 -1.61 118.68 123.87 3h70 s LEU 32 Ca -0.04 1.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.96 3h70 s LEU 32 Cb -0.05 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 3h70 s LEU 32 CO -0.04 0.20 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.62 3h70 s PHE 33 N -0.51 1.83 0.22 5.38 0.08 -0.29 -1.67 117.98 123.02 3h70 s PHE 33 Ca 0.26 -0.38 0.11 0.00 0.12 0.00 0.00 56.93 57.05 3h70 s PHE 33 Cb -0.17 -1.09 -0.05 0.00 -0.57 0.00 0.00 43.02 41.14 3h70 s PHE 33 CO 0.14 0.09 -0.19 0.96 -0.10 0.00 0.00 175.22 176.12 3h70 s ILE 34 N -0.80 2.60 -0.09 0.64 -4.36 -0.05 -1.07 121.20 118.08 3h70 s ILE 34 Ca 0.08 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 58.41 3h70 s ILE 34 Cb -0.09 -2.29 0.03 0.00 1.25 0.00 0.00 42.46 41.36 3h70 s ILE 34 CO 0.02 -0.20 -0.02 -0.70 0.24 0.00 0.00 174.94 174.28 3h70 s GLU 35 N -2.96 0.88 -0.14 0.37 2.12 -0.16 -1.09 118.70 117.72 3h70 s GLU 35 Ca 0.24 -0.01 -0.03 0.00 0.36 0.00 0.00 54.97 55.54 3h70 s GLU 35 Cb -0.07 -1.17 -0.03 0.00 0.26 0.00 0.00 34.13 33.12 3h70 s GLU 35 CO 0.13 -0.30 -0.05 -0.51 -0.54 0.00 0.00 175.26 173.99 3h70 s LEU 36 N 1.89 3.21 -0.14 2.70 1.43 0.02 -1.17 118.68 126.62 3h70 s LEU 36 Ca 0.05 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3h70 s LEU 36 Cb -0.12 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3h70 s LEU 36 CO -0.06 0.20 -0.14 -0.63 0.23 0.00 0.00 176.35 175.95 3h70 s ILE 37 N 0.18 2.86 0.69 -0.59 1.01 -0.45 -1.01 121.20 123.89 3h70 s ILE 37 Ca -0.02 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 3h70 s ILE 37 Cb -0.14 -2.20 0.15 0.00 0.01 0.00 0.00 42.46 40.28 3h70 s ILE 37 CO 0.03 0.52 0.94 -0.90 0.00 0.00 0.00 174.94 175.52 3h70 n ASP 38 N 3.77 0.27 0.00 3.58 5.68 -0.44 -0.61 116.55 128.80 3h70 n ASP 38 Ca -0.18 -1.46 0.07 0.00 -0.50 0.00 0.00 54.79 52.71 3h70 n ASP 38 Cb 0.52 -0.70 0.35 0.00 -1.14 0.00 0.00 41.12 40.16 3h70 n ASP 38 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h70 n ASP 39 N -3.49 0.00 -0.71 -1.12 5.75 0.22 -1.52 116.55 115.68 3h70 n ASP 39 Ca 0.12 -0.04 0.06 0.00 -0.01 0.00 0.00 54.79 54.92 3h70 n ASP 39 Cb 0.43 -0.21 0.16 0.00 -1.03 0.00 0.00 41.12 40.48 3h70 n ASP 39 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3h70 n LYS 40 N -1.21 2.69 -1.07 0.11 5.02 -1.26 -4.96 118.16 117.47 3h70 n LYS 40 Ca 0.07 -2.06 -0.02 0.00 -2.02 0.00 0.00 58.31 54.29 3h70 n LYS 40 Cb 0.09 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 3h70 n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h70 n GLY 41 N 0.66 0.52 3.68 0.72 0.00 -0.57 -5.02 105.19 105.18 3h70 n GLY 41 Ca 0.13 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 3h70 n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h70 s ASN 42 N -2.98 6.70 -0.09 1.61 0.01 -1.26 -4.84 114.94 114.10 3h70 s ASN 42 Ca 0.00 0.85 -0.11 0.00 -0.71 0.00 0.00 52.86 52.89 3h70 s ASN 42 Cb 0.00 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 3h70 s ASN 42 CO 0.00 -0.17 0.25 0.00 -1.51 0.00 0.00 177.10 175.68 3h70 s ALA 43 N 1.40 3.76 -0.03 0.60 0.00 -1.26 -1.32 121.76 124.90 3h70 s ALA 43 Ca 0.28 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.79 3h70 s ALA 43 Cb -0.16 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.78 3h70 s ALA 43 CO 0.11 0.46 -0.07 0.71 0.00 0.00 0.00 175.76 176.97 3h70 s TYR 44 N -0.73 0.84 0.11 0.00 2.02 -0.18 -4.98 117.35 114.43 3h70 s TYR 44 Ca 0.18 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.70 3h70 s TYR 44 Cb -0.14 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.74 3h70 s TYR 44 CO 0.07 -0.13 0.07 -0.06 -1.57 0.00 0.00 175.55 173.93 3h70 s PHE 45 N 0.43 3.12 0.00 2.71 0.08 -1.26 -0.80 117.98 122.26 3h70 s PHE 45 Ca -0.06 0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.04 3h70 s PHE 45 Cb -0.10 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 3h70 s PHE 45 CO 0.00 0.51 -0.09 0.20 -0.10 0.00 0.00 175.22 175.74 3h70 s GLY 46 N -2.56 0.48 -0.19 4.36 0.00 -0.25 -4.05 107.32 105.11 3h70 s GLY 46 Ca 0.29 -0.47 -0.04 0.00 0.00 0.00 0.00 44.72 44.50 3h70 s GLY 46 CO 0.21 -0.42 -0.02 1.85 0.00 0.00 0.00 173.10 174.72 3h70 s GLU 47 N -0.46 3.57 0.07 2.90 2.12 -1.26 -0.87 118.70 124.77 3h70 s GLU 47 Ca 0.02 -0.55 -0.19 0.00 0.36 0.00 0.00 54.97 54.61 3h70 s GLU 47 Cb -0.05 -3.00 -0.07 0.00 0.26 0.00 0.00 34.13 31.27 3h70 s GLU 47 CO -0.00 0.04 0.56 0.00 -0.54 0.00 0.00 175.26 175.32 3h70 n ASN 49 N 1.77 3.05 -4.81 0.00 4.13 -1.26 -4.47 115.26 113.68 3h70 n ASN 49 Ca -0.10 -1.94 -0.33 0.00 1.68 0.00 0.00 54.58 53.89 3h70 n ASN 49 Cb 0.51 -0.28 -0.01 0.00 -1.54 0.00 0.00 39.78 38.46 3h70 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h70 s ALA 50 N -1.44 2.84 0.47 5.41 0.00 -1.26 -5.07 121.76 122.71 3h70 s ALA 50 Ca 0.38 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.79 3h70 s ALA 50 Cb 0.21 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 20.15 3h70 s ALA 50 CO 0.29 -0.59 0.54 -0.06 0.00 0.00 0.00 175.76 175.94 3h70 s PHE 51 N -2.43 2.27 0.21 0.00 0.08 -1.26 -4.55 117.98 112.31 3h70 s PHE 51 Ca 0.63 -0.57 -0.10 0.00 0.12 0.00 0.00 56.93 57.01 3h70 s PHE 51 Cb -0.14 -2.21 0.16 0.00 -0.57 0.00 0.00 43.02 40.26 3h70 s PHE 51 CO 0.33 -0.51 1.86 0.37 -0.10 0.00 0.00 175.22 177.17 3h70 h GLN 52 N 0.67 1.05 -5.65 0.44 5.75 -1.95 -0.49 115.11 114.93 3h70 h GLN 52 Ca -0.37 -0.09 -0.63 0.00 -0.15 0.00 0.00 58.65 57.41 3h70 h GLN 52 Cb 1.28 -0.23 -0.13 0.00 1.07 0.00 0.00 27.48 29.48 3h70 h GLN 52 CO 0.50 0.73 -0.59 0.95 -2.65 0.00 0.00 178.83 177.77 3h70 s THR 53 N -6.02 1.97 -0.20 2.39 -4.23 -1.26 -4.44 115.64 103.84 3h70 s THR 53 Ca -0.13 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 3h70 s THR 53 Cb 0.15 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 71.25 3h70 s THR 53 CO 0.79 0.00 1.66 -0.90 -0.54 0.00 0.00 174.62 175.63 3h70 n ASP 54 N -1.01 4.68 0.24 3.99 5.75 -1.26 -4.47 116.55 124.47 3h70 n ASP 54 Ca -0.06 -2.75 0.11 0.00 -0.01 0.00 0.00 54.79 52.08 3h70 n ASP 54 Cb 0.67 -0.84 0.58 0.00 -1.03 0.00 0.00 41.12 40.50 3h70 n ASP 54 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 3h70 h TRP 55 N 0.85 0.00 0.00 2.11 5.08 -1.95 -3.31 115.95 118.72 3h70 h TRP 55 Ca 0.23 0.00 -0.28 0.00 1.08 0.00 0.00 58.89 59.92 3h70 h TRP 55 Cb 1.33 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.44 3h70 h TRP 55 CO 0.63 0.19 -2.01 0.98 -1.28 0.00 0.00 178.44 176.95 3h70 n TYR 56 N -3.56 0.00 -3.99 0.12 9.36 -1.26 -4.95 117.16 112.87 3h70 n TYR 56 Ca -0.01 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.12 3h70 n TYR 56 Cb 0.34 -0.67 -0.08 0.00 -0.63 0.00 0.00 39.34 38.30 3h70 n TYR 56 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3h70 s ASP 57 N -6.00 0.18 0.47 2.98 2.15 -1.25 -5.05 116.67 110.15 3h70 s ASP 57 Ca -0.24 -0.89 0.26 0.00 0.43 0.00 0.00 52.55 52.11 3h70 s ASP 57 Cb 0.07 0.35 1.07 0.00 -0.30 0.00 0.00 42.92 44.11 3h70 s ASP 57 CO 0.38 -0.77 1.89 1.12 -0.17 0.00 0.00 175.17 177.61 3h70 h HIS 58 N 2.75 0.00 -3.50 -5.34 2.07 -1.96 -3.38 115.15 105.79 3h70 h HIS 58 Ca -0.33 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.66 3h70 h HIS 58 Cb 1.20 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.15 3h70 h HIS 58 CO 0.43 0.17 0.20 -1.21 -3.07 0.00 0.00 177.93 174.45 3h70 s GLU 59 N -3.71 4.57 0.39 5.12 2.02 -1.26 -4.88 118.70 120.94 3h70 s GLU 59 Ca 0.00 1.18 0.04 0.00 0.02 0.00 0.00 54.97 56.21 3h70 s GLU 59 Cb 0.10 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 3h70 s GLU 59 CO 0.61 0.42 0.07 0.95 0.02 0.00 0.00 175.26 177.33 3h70 s THR 60 N -0.61 1.11 0.20 3.63 -4.23 -1.26 -4.38 115.64 110.10 3h70 s THR 60 Ca 0.38 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.79 3h70 s THR 60 Cb -0.22 -2.60 0.12 0.00 1.34 0.00 0.00 72.50 71.14 3h70 s THR 60 CO 0.26 0.00 1.79 0.40 -0.54 0.00 0.00 174.62 176.53 3h70 h ILE 61 N 1.87 0.94 -0.34 2.99 2.04 -1.30 -0.73 117.51 122.97 3h70 h ILE 61 Ca -0.40 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3h70 h ILE 61 Cb 1.26 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3h70 h ILE 61 CO 0.68 0.11 0.08 0.00 0.00 0.00 0.00 178.15 179.02 3h70 h ALA 62 N 1.33 0.45 -0.68 1.87 0.00 -1.85 -1.12 119.26 119.28 3h70 h ALA 62 Ca 0.28 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3h70 h ALA 62 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3h70 h ALA 62 CO -0.19 0.12 0.15 0.66 0.00 0.00 0.00 179.25 179.99 3h70 h SER 63 N 0.40 1.03 -0.51 0.00 4.64 -1.87 -2.24 113.55 115.01 3h70 h SER 63 Ca 0.11 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.12 3h70 h SER 63 Cb 0.30 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3h70 h SER 63 CO 0.00 1.00 -0.00 0.58 -0.87 0.00 0.00 176.83 177.54 3h70 h VAL 64 N 1.03 1.26 -0.40 0.95 2.07 -1.03 -1.35 116.25 118.78 3h70 h VAL 64 Ca 0.21 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.68 3h70 h VAL 64 Cb 0.39 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3h70 h VAL 64 CO 0.01 0.38 0.18 0.50 0.02 0.00 0.00 177.57 178.66 3h70 h LYS 65 N 0.77 0.35 -0.55 1.57 3.11 -0.97 0.13 116.57 120.98 3h70 h LYS 65 Ca 0.14 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.93 3h70 h LYS 65 Cb 0.52 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 3h70 h LYS 65 CO 0.03 0.23 0.21 0.45 -2.81 0.00 0.00 179.45 177.56 3h70 h HIS 66 N 0.36 0.86 -0.25 1.91 3.86 -1.24 -0.18 115.15 120.46 3h70 h HIS 66 Ca 0.18 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3h70 h HIS 66 Cb 0.12 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3h70 h HIS 66 CO -0.12 0.71 0.08 0.28 0.86 0.00 0.00 177.93 179.74 3h70 h VAL 67 N 0.76 1.19 -0.23 2.45 2.07 -0.66 -1.86 116.25 119.97 3h70 h VAL 67 Ca 0.18 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 3h70 h VAL 67 Cb 0.22 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3h70 h VAL 67 CO -0.01 0.20 -0.31 0.40 0.02 0.00 0.00 177.57 177.87 3h70 h ILE 68 N 0.25 1.28 -0.50 4.57 2.04 -0.67 -0.64 117.51 123.83 3h70 h ILE 68 Ca 0.08 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 3h70 h ILE 68 Cb 0.23 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3h70 h ILE 68 CO -0.00 0.44 0.21 -0.08 0.00 0.00 0.00 178.15 178.71 3h70 h GLU 69 N 0.42 0.75 -0.37 2.37 4.81 -0.87 -0.72 114.58 120.96 3h70 h GLU 69 Ca 0.05 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 58.99 3h70 h GLU 69 Cb 0.75 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3h70 h GLU 69 CO 0.06 0.66 -0.37 0.37 -0.73 0.00 0.00 179.01 179.00 3h70 h GLN 70 N 0.67 0.89 -0.73 1.92 5.75 -1.17 -2.68 115.11 119.76 3h70 h GLN 70 Ca 0.17 -0.46 0.06 0.00 -0.15 0.00 0.00 58.65 58.27 3h70 h GLN 70 Cb 0.19 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.69 3h70 h GLN 70 CO -0.01 1.11 0.43 2.35 -2.65 0.00 0.00 178.83 180.05 3h70 h TRP 71 N 0.73 0.79 -0.61 3.99 7.01 -0.77 -1.96 115.95 125.12 3h70 h TRP 71 Ca 0.06 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 3h70 h TRP 71 Cb 0.95 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 3h70 h TRP 71 CO 0.06 0.39 0.22 0.35 -2.79 0.00 0.00 178.44 176.67 3h70 h PHE 72 N 0.79 0.96 -0.40 2.65 3.57 -1.00 -1.15 116.94 122.34 3h70 h PHE 72 Ca 0.32 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.77 3h70 h PHE 72 Cb 0.16 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3h70 h PHE 72 CO -0.06 0.77 0.27 0.93 -2.23 0.00 0.00 178.31 177.99 3h70 h GLU 73 N 0.86 0.42 0.00 1.11 4.39 -1.04 0.36 114.58 120.68 3h70 h GLU 73 Ca 0.20 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3h70 h GLU 73 Cb 0.24 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3h70 h GLU 73 CO -0.01 0.28 -0.54 -0.44 -1.16 0.00 0.00 179.01 177.14 3h70 h ASP 74 N 0.43 0.00 0.00 1.42 3.32 -0.75 -3.38 116.42 117.46 3h70 h ASP 74 Ca 0.16 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3h70 h ASP 74 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3h70 h ASP 74 CO -0.04 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 3h70 n ASN 75 N -2.37 0.40 -4.77 6.45 3.02 -0.49 -5.01 115.26 112.48 3h70 n ASN 75 Ca 0.03 -0.69 -0.40 0.00 -0.03 0.00 0.00 54.58 53.49 3h70 n ASN 75 Cb 0.47 0.53 0.02 0.00 -0.61 0.00 0.00 39.78 40.19 3h70 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h70 s ARG 76 N -0.53 3.65 0.00 3.52 1.70 0.12 -2.41 118.95 125.01 3h70 s ARG 76 Ca 0.00 2.42 0.00 0.00 -0.47 0.00 0.00 55.73 57.68 3h70 s ARG 76 Cb 0.00 -2.63 0.00 0.00 -0.57 0.00 0.00 34.95 31.75 3h70 s ARG 76 CO 0.00 -0.84 0.00 0.09 -1.08 0.00 0.00 175.30 173.47 3h70 n ASN 77 N -0.24 -1.25 -4.72 -2.89 3.02 0.04 -4.96 115.26 104.26 3h70 n ASN 77 Ca 0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 3h70 n ASN 77 Cb 0.42 -1.28 -0.04 0.00 -0.61 0.00 0.00 39.78 38.27 3h70 n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3h70 s LYS 78 N -0.55 4.50 0.15 3.52 1.02 -1.01 -4.86 119.74 122.50 3h70 s LYS 78 Ca 0.00 1.11 -0.19 0.00 0.02 0.00 0.00 55.97 56.91 3h70 s LYS 78 Cb 0.00 -3.43 -0.07 0.00 -0.52 0.00 0.00 37.83 33.81 3h70 s LYS 78 CO 0.00 0.09 0.63 -1.54 -0.92 0.00 0.00 175.35 173.61 3h70 s SER 79 N 0.63 7.02 -0.10 2.83 1.04 -1.26 -4.21 113.70 119.65 3h70 s SER 79 Ca 0.42 1.29 -0.10 0.00 0.48 0.00 0.00 55.95 58.05 3h70 s SER 79 Cb -0.20 -2.37 0.03 0.00 0.10 0.00 0.00 66.02 63.58 3h70 s SER 79 CO 0.23 0.14 0.28 0.72 0.98 0.00 0.00 173.24 175.59 3h70 s PHE 80 N -1.34 -0.30 -0.92 5.02 -0.12 -0.16 -4.95 117.98 115.20 3h70 s PHE 80 Ca 0.36 0.74 0.17 0.00 -0.05 0.00 0.00 56.93 58.15 3h70 s PHE 80 Cb -0.18 0.10 -0.16 0.00 -0.63 0.00 0.00 43.02 42.16 3h70 s PHE 80 CO 0.20 -0.15 0.75 0.39 -0.05 0.00 0.00 175.22 176.35 3h70 n GLU 81 N 2.88 1.46 -4.14 1.99 1.02 -1.26 -1.14 120.64 121.45 3h70 n GLU 81 Ca -0.13 -0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 56.78 3h70 n GLU 81 Cb 0.58 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.60 3h70 n GLU 81 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3h70 s THR 82 N -2.51 0.11 0.11 2.62 -4.23 -1.26 -4.82 115.64 105.67 3h70 s THR 82 Ca 0.08 -1.90 -0.20 0.00 -1.18 0.00 0.00 61.69 58.48 3h70 s THR 82 Cb 0.13 -2.00 -0.09 0.00 1.34 0.00 0.00 72.50 71.88 3h70 s THR 82 CO 0.65 -0.50 1.77 0.22 -0.54 0.00 0.00 174.62 176.22 3h70 h TYR 83 N 2.88 0.18 -0.70 3.99 3.20 -1.95 0.30 116.97 124.87 3h70 h TYR 83 Ca -0.35 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.61 3h70 h TYR 83 Cb 1.19 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 39.34 3h70 h TYR 83 CO 0.44 0.11 0.35 0.93 -1.64 0.00 0.00 178.16 178.35 3h70 h GLU 84 N 0.19 0.60 -0.56 1.82 3.07 -1.99 0.11 114.58 117.81 3h70 h GLU 84 Ca 0.06 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 3h70 h GLU 84 Cb -0.02 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 3h70 h GLU 84 CO -0.02 0.40 0.03 0.00 -1.40 0.00 0.00 179.01 178.02 3h70 h ALA 85 N 1.41 0.99 -0.48 3.43 0.00 -1.83 -2.78 119.26 120.00 3h70 h ALA 85 Ca 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3h70 h ALA 85 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3h70 h ALA 85 CO -0.25 0.62 0.25 0.00 0.00 0.00 0.00 179.25 179.88 3h70 h ALA 86 N 1.15 0.62 0.00 0.00 0.00 0.37 -2.50 119.26 118.90 3h70 h ALA 86 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3h70 h ALA 86 Cb 0.47 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3h70 h ALA 86 CO 0.02 0.15 -0.08 -0.07 0.00 0.00 0.00 179.25 179.27 3h70 h LEU 87 N 0.63 0.00 -1.87 0.00 3.38 -0.80 -2.09 115.31 114.57 3h70 h LEU 87 Ca 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3h70 h LEU 87 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3h70 h LEU 87 CO -0.02 0.08 -0.08 0.11 0.09 0.00 0.00 178.44 178.62 3h70 h LYS 88 N 0.00 0.00 0.00 1.13 6.56 -1.18 -1.75 116.57 121.33 3h70 h LYS 88 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3h70 h LYS 88 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 3h70 h LYS 88 CO 0.01 0.08 0.00 -0.07 -2.06 0.00 0.00 179.45 177.41 3h70 h LEU 89 N 0.00 0.00 -2.45 2.94 3.38 -1.43 -2.87 115.31 114.88 3h70 h LEU 89 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h70 h LEU 89 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3h70 h LEU 89 CO 0.01 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.87 3h70 n VAL 90 N -3.08 0.67 0.05 1.22 0.24 -0.67 -4.48 118.33 112.29 3h70 n VAL 90 Ca 0.00 -0.84 0.13 0.00 -2.04 0.00 0.00 64.34 61.59 3h70 n VAL 90 Cb 0.29 0.80 0.59 0.00 -1.47 0.00 0.00 33.84 34.04 3h70 n VAL 90 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3h70 h ASP 91 N 3.57 0.16 0.00 -1.34 3.32 -1.44 -0.43 116.42 120.26 3h70 h ASP 91 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h70 h ASP 91 Cb 0.86 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3h70 h ASP 91 CO 0.00 0.10 0.00 -1.54 -1.72 0.00 0.00 179.24 176.08 3h70 n SER 92 N -4.46 0.00 -0.83 6.45 3.41 -1.26 -3.27 113.62 113.65 3h70 n SER 92 Ca 0.05 -1.25 0.07 0.00 -0.26 0.00 0.00 58.87 57.49 3h70 n SER 92 Cb 0.33 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.49 3h70 n SER 92 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h70 n LEU 93 N -0.82 3.35 0.30 1.04 4.77 -0.17 -4.61 117.00 120.87 3h70 n LEU 93 Ca 0.14 -2.21 0.17 0.00 -0.03 0.00 0.00 56.01 54.08 3h70 n LEU 93 Cb 0.06 -0.34 0.97 0.00 -2.33 0.00 0.00 43.42 41.78 3h70 n LEU 93 CO 0.10 0.75 1.11 -0.33 -1.33 0.00 0.00 177.39 177.70 3h70 h GLU 94 N 2.37 0.00 0.00 3.23 5.08 -1.69 -0.49 114.58 123.09 3h70 h GLU 94 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h70 h GLU 94 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3h70 h GLU 94 CO 0.06 0.02 0.00 0.27 -1.00 0.00 0.00 179.01 178.36 3h70 n ASN 95 N -3.52 0.78 -3.37 1.42 6.94 -1.26 -3.84 115.26 112.41 3h70 n ASN 95 Ca -0.03 0.61 -0.26 0.00 -0.02 0.00 0.00 54.58 54.88 3h70 n ASN 95 Cb 0.12 -0.80 -0.08 0.00 -2.36 0.00 0.00 39.78 36.66 3h70 n ASN 95 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3h70 n THR 96 N -2.27 0.96 -0.33 5.53 -2.24 -0.19 -4.99 114.28 110.75 3h70 n THR 96 Ca 0.04 -4.64 0.12 0.00 -2.27 0.00 0.00 64.05 57.30 3h70 n THR 96 Cb 0.37 -2.03 0.33 0.00 -2.10 0.00 0.00 70.33 66.89 3h70 n THR 96 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3h70 h PRO 97 N 4.28 0.76 -0.58 -0.78 0.13 -1.66 -1.36 132.00 132.79 3h70 h PRO 97 Ca 0.15 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 3h70 h PRO 97 Cb 0.76 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 3h70 h PRO 97 CO 0.66 0.50 0.18 0.00 -0.23 0.00 0.00 178.00 179.11 3h70 h ALA 98 N 1.61 0.76 -0.25 -0.56 0.00 -1.91 0.81 119.26 119.71 3h70 h ALA 98 Ca 0.53 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3h70 h ALA 98 Cb 0.80 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h70 h ALA 98 CO -0.31 0.42 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 3h70 h ALA 99 N 1.05 0.35 -0.44 0.00 0.00 -1.78 -2.73 119.26 115.69 3h70 h ALA 99 Ca 0.19 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3h70 h ALA 99 Cb 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3h70 h ALA 99 CO -0.01 0.13 0.26 -0.09 0.00 0.00 0.00 179.25 179.55 3h70 h ARG 100 N 0.23 0.51 -0.59 0.00 2.43 -1.07 -2.48 114.38 113.41 3h70 h ARG 100 Ca 0.07 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3h70 h ARG 100 Cb 0.50 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3h70 h ARG 100 CO 0.02 0.33 0.39 0.00 -1.51 0.00 0.00 179.97 179.21 3h70 h ALA 101 N 1.20 1.62 -0.31 2.80 0.00 -0.46 -0.63 119.26 123.48 3h70 h ALA 101 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3h70 h ALA 101 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3h70 h ALA 101 CO -0.09 0.34 0.09 1.15 0.00 0.00 0.00 179.25 180.74 3h70 h THR 102 N 0.76 1.21 -0.41 0.00 2.02 -1.13 -1.58 112.91 113.77 3h70 h THR 102 Ca 0.22 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 3h70 h THR 102 Cb -0.03 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3h70 h THR 102 CO -0.05 0.23 -0.10 0.40 0.37 0.00 0.00 175.52 176.38 3h70 h ILE 103 N 0.35 1.27 -0.68 3.11 2.04 -1.19 -3.04 117.51 119.37 3h70 h ILE 103 Ca 0.10 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3h70 h ILE 103 Cb 0.27 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3h70 h ILE 103 CO -0.00 0.40 0.44 0.58 0.00 0.00 0.00 178.15 179.57 3h70 h VAL 104 N 0.62 1.18 -0.97 1.67 2.07 -0.99 -0.71 116.25 119.11 3h70 h VAL 104 Ca 0.11 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3h70 h VAL 104 Cb 0.62 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3h70 h VAL 104 CO 0.04 0.18 0.64 -0.03 0.02 0.00 0.00 177.57 178.42 3h70 h MET 105 N 0.93 1.26 -0.10 1.57 1.85 -1.17 0.87 114.93 120.14 3h70 h MET 105 Ca 0.25 -0.08 -0.10 0.00 -0.61 0.00 0.00 59.70 59.17 3h70 h MET 105 Cb -0.09 -0.28 0.00 0.00 0.43 0.00 0.00 31.60 31.65 3h70 h MET 105 CO -0.05 0.84 -0.31 0.00 -0.40 0.00 0.00 176.91 176.98 3h70 h ALA 106 N 1.40 0.17 -0.82 0.39 0.00 -1.32 -3.24 119.26 115.84 3h70 h ALA 106 Ca 0.36 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h70 h ALA 106 Cb -0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3h70 h ALA 106 CO -0.09 0.21 0.53 -0.07 0.00 0.00 0.00 179.25 179.83 3h70 h LEU 107 N -0.07 0.88 -0.96 0.00 3.38 -0.77 -2.30 115.31 115.48 3h70 h LEU 107 Ca -0.01 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.07 3h70 h LEU 107 Cb 0.94 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 3h70 h LEU 107 CO 0.07 0.61 0.58 0.22 0.09 0.00 0.00 178.44 180.01 3h70 h TYR 108 N 1.03 1.06 0.00 1.13 3.20 -0.89 -0.60 116.97 121.90 3h70 h TYR 108 Ca 0.32 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3h70 h TYR 108 Cb -0.01 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.93 3h70 h TYR 108 CO -0.02 0.40 0.00 1.96 -1.64 0.00 0.00 178.16 178.86 3h70 h GLN 109 N 0.92 0.00 0.00 1.82 4.20 -1.44 -2.47 115.11 118.14 3h70 h GLN 109 Ca 0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.19 3h70 h GLN 109 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3h70 h GLN 109 CO -0.27 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.56 3h70 n MET 110 N -2.90 0.20 -0.00 1.46 2.81 -0.23 -4.01 117.12 114.45 3h70 n MET 110 Ca 0.00 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 3h70 n MET 110 Cb 0.24 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 3h70 n MET 110 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3h70 n PHE 111 N -2.11 0.00 -4.00 2.03 3.72 -0.95 -5.05 117.46 111.10 3h70 n PHE 111 Ca 0.05 -0.24 -0.11 0.00 -0.05 0.00 0.00 57.45 57.10 3h70 n PHE 111 Cb 0.37 -0.02 -0.12 0.00 -0.94 0.00 0.00 39.48 38.76 3h70 n PHE 111 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3h70 s HIS 112 N -0.48 0.34 -0.44 1.38 3.76 -1.09 -4.99 115.29 113.77 3h70 s HIS 112 Ca 0.00 -0.38 -0.20 0.00 -0.15 0.00 0.00 55.06 54.33 3h70 s HIS 112 Cb 0.00 -0.22 0.03 0.00 1.11 0.00 0.00 32.58 33.50 3h70 s HIS 112 CO 0.00 -0.11 0.61 0.08 -0.85 0.00 0.00 174.74 174.47 3h70 s VAL 113 N -1.04 4.87 0.07 -0.90 1.01 -1.26 -4.83 120.40 118.32 3h70 s VAL 113 Ca -0.10 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 3h70 s VAL 113 Cb -0.07 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 3h70 s VAL 113 CO -0.00 -0.59 1.38 -0.76 0.00 0.00 0.00 175.10 175.12 3h70 s LEU 114 N 2.70 4.35 0.57 3.92 1.43 -1.26 -5.03 118.68 125.37 3h70 s LEU 114 Ca 0.20 2.22 -0.03 0.00 -1.03 0.00 0.00 54.13 55.50 3h70 s LEU 114 Cb -0.15 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.51 3h70 s LEU 114 CO 0.18 -0.66 0.84 -2.16 0.23 0.00 0.00 176.35 174.78 3h70 s PRO 115 N 1.55 2.74 -0.12 1.29 0.04 -1.26 -4.72 135.00 134.51 3h70 s PRO 115 Ca 0.64 -0.33 -0.04 0.00 0.04 0.00 0.00 61.00 61.30 3h70 s PRO 115 Cb -0.34 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 3h70 s PRO 115 CO 0.29 -0.70 0.04 -1.54 0.04 0.00 0.00 177.00 175.13 3h70 s SER 116 N -4.35 5.51 0.28 6.66 1.04 -1.26 -4.15 113.70 117.42 3h70 s SER 116 Ca 0.54 0.17 -0.20 0.00 0.48 0.00 0.00 55.95 56.95 3h70 s SER 116 Cb -0.10 -1.72 0.05 0.00 0.10 0.00 0.00 66.02 64.35 3h70 s SER 116 CO 0.42 0.32 0.86 0.72 0.98 0.00 0.00 173.24 176.54 3h70 s PHE 117 N -0.53 0.01 0.25 5.02 -0.12 -0.72 -5.01 117.98 116.88 3h70 s PHE 117 Ca 0.10 -0.52 0.06 0.00 -0.05 0.00 0.00 56.93 56.52 3h70 s PHE 117 Cb -0.12 0.75 -0.05 0.00 -0.63 0.00 0.00 43.02 42.97 3h70 s PHE 117 CO 0.02 -1.24 -0.06 -1.54 -0.05 0.00 0.00 175.22 172.35 3h70 s SER 118 N -3.10 2.52 0.06 1.98 1.04 -1.26 -0.04 113.70 114.91 3h70 s SER 118 Ca 0.15 -1.16 -0.00 0.00 0.48 0.00 0.00 55.95 55.42 3h70 s SER 118 Cb -0.04 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 3h70 s SER 118 CO 0.08 -0.34 -0.04 0.68 0.98 0.00 0.00 173.24 174.59 3h70 s VAL 119 N -3.09 0.32 0.44 5.02 -7.23 -0.60 -4.96 120.40 110.30 3h70 s VAL 119 Ca 0.28 -1.74 -0.25 0.00 -1.81 0.00 0.00 61.98 58.45 3h70 s VAL 119 Cb 0.03 -1.43 -0.08 0.00 0.56 0.00 0.00 36.38 35.47 3h70 s VAL 119 CO 0.10 -0.92 1.31 0.00 -0.31 0.00 0.00 175.10 175.29 3h70 s ALA 120 N -3.59 3.15 -0.18 1.32 0.00 -1.26 -0.76 121.76 120.44 3h70 s ALA 120 Ca 0.06 1.24 -0.21 0.00 0.00 0.00 0.00 51.96 53.05 3h70 s ALA 120 Cb 0.05 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3h70 s ALA 120 CO -0.08 -0.94 0.65 -0.47 0.00 0.00 0.00 175.76 174.93 3h70 s TYR 121 N -1.30 3.41 -0.17 0.00 5.04 -0.65 -4.66 117.35 119.03 3h70 s TYR 121 Ca 0.60 1.00 0.01 0.00 -2.44 0.00 0.00 57.07 56.24 3h70 s TYR 121 Cb -0.38 -2.81 0.01 0.00 0.35 0.00 0.00 41.96 39.13 3h70 s TYR 121 CO 0.48 -0.14 -0.18 0.20 -1.34 0.00 0.00 175.55 174.57 3h70 s GLY 122 N 1.12 1.41 0.31 8.97 0.00 -1.26 -3.09 107.32 114.79 3h70 s GLY 122 Ca 0.31 -1.15 -0.10 0.00 0.00 0.00 0.00 44.72 43.77 3h70 s GLY 122 CO 0.11 0.17 0.66 0.00 0.00 0.00 0.00 173.10 174.04 3h70 s ALA 123 N 1.10 3.45 -0.11 3.20 0.00 0.11 -4.90 121.76 124.62 3h70 s ALA 123 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3h70 s ALA 123 Cb -0.14 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.42 3h70 s ALA 123 CO -0.07 0.27 -0.12 0.95 0.00 0.00 0.00 175.76 176.79 3h70 s THR 124 N -2.06 1.29 -0.11 0.00 -4.23 -1.26 -0.25 115.64 109.02 3h70 s THR 124 Ca 0.50 -0.50 0.03 0.00 -1.18 0.00 0.00 61.69 60.53 3h70 s THR 124 Cb -0.11 -1.22 0.01 0.00 1.34 0.00 0.00 72.50 72.52 3h70 s THR 124 CO 0.25 0.40 -0.19 0.00 -0.54 0.00 0.00 174.62 174.54 3h70 s ALA 125 N 1.23 1.94 -1.42 3.99 0.00 0.28 -4.95 121.76 122.83 3h70 s ALA 125 Ca -0.03 -0.87 0.26 0.00 0.00 0.00 0.00 51.96 51.32 3h70 s ALA 125 Cb -0.14 -0.85 0.65 0.00 0.00 0.00 0.00 23.12 22.79 3h70 s ALA 125 CO -0.04 0.06 1.50 0.43 0.00 0.00 0.00 175.76 177.71 3h70 n SER 126 N 3.93 0.79 -0.26 0.00 7.64 -1.26 -0.72 113.62 123.74 3h70 n SER 126 Ca -0.20 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.08 3h70 n SER 126 Cb 0.52 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 3h70 n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h70 n GLY 127 N 1.41 1.26 2.25 0.23 0.00 -1.26 -4.66 105.19 104.41 3h70 n GLY 127 Ca 0.09 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 3h70 n GLY 127 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h70 n LEU 128 N 0.00 1.02 -4.85 0.99 7.94 -1.26 -4.93 117.00 115.91 3h70 n LEU 128 Ca 0.00 -4.88 -0.29 0.00 -1.11 0.00 0.00 56.01 49.73 3h70 n LEU 128 Cb 0.00 0.35 0.10 0.00 0.53 0.00 0.00 43.42 44.40 3h70 n LEU 128 CO 0.00 2.08 0.75 -0.94 -1.11 0.00 0.00 177.39 178.17 3h70 s SER 129 N -1.53 4.17 0.23 1.96 1.04 -1.26 -4.79 113.70 113.51 3h70 s SER 129 Ca 0.36 0.91 -0.07 0.00 0.48 0.00 0.00 55.95 57.63 3h70 s SER 129 Cb 0.17 -1.47 0.19 0.00 0.10 0.00 0.00 66.02 65.02 3h70 s SER 129 CO -0.09 -2.13 1.81 -1.13 0.98 0.00 0.00 173.24 172.68 3h70 h ASN 130 N -1.21 1.10 -0.50 7.02 -1.24 -1.99 0.69 115.58 119.45 3h70 h ASN 130 Ca -0.48 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.39 3h70 h ASN 130 Cb 1.32 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 40.06 3h70 h ASN 130 CO 0.64 0.94 0.32 0.50 -1.29 0.00 0.00 177.43 178.54 3h70 h LYS 131 N 1.18 0.66 -0.16 6.67 3.64 -1.99 0.53 116.57 127.11 3h70 h LYS 131 Ca 0.28 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3h70 h LYS 131 Cb 0.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3h70 h LYS 131 CO -0.03 0.45 0.03 0.37 -2.27 0.00 0.00 179.45 178.00 3h70 h GLN 132 N 0.67 0.25 -0.70 1.90 5.75 -1.80 -2.08 115.11 119.10 3h70 h GLN 132 Ca 0.18 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 3h70 h GLN 132 Cb -0.06 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 3h70 h GLN 132 CO -0.04 0.42 0.37 1.25 -2.65 0.00 0.00 178.83 178.18 3h70 h LEU 133 N 0.05 0.90 -1.08 -2.39 5.85 -0.64 -1.37 115.31 116.62 3h70 h LEU 133 Ca 0.05 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3h70 h LEU 133 Cb 0.28 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3h70 h LEU 133 CO 0.00 0.75 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.45 3h70 h GLU 134 N 0.97 0.57 -0.34 1.25 4.39 -0.85 -1.58 114.58 119.00 3h70 h GLU 134 Ca 0.25 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 3h70 h GLU 134 Cb 0.07 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3h70 h GLU 134 CO -0.04 0.65 0.09 1.03 -1.16 0.00 0.00 179.01 179.58 3h70 h SER 135 N 0.53 0.51 -0.56 1.42 0.87 -0.78 -1.73 113.55 113.81 3h70 h SER 135 Ca 0.10 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3h70 h SER 135 Cb 0.45 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3h70 h SER 135 CO 0.02 0.60 0.35 -0.07 -0.53 0.00 0.00 176.83 177.20 3h70 h LEU 136 N 0.39 0.66 -0.76 2.23 3.38 -0.92 -0.50 115.31 119.78 3h70 h LEU 136 Ca 0.11 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3h70 h LEU 136 Cb 0.28 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3h70 h LEU 136 CO -0.00 0.50 0.33 0.11 0.09 0.00 0.00 178.44 179.47 3h70 h LYS 137 N 0.76 1.13 -0.01 1.13 1.57 -1.14 -1.31 116.57 118.69 3h70 h LYS 137 Ca 0.20 -0.19 -0.24 0.00 -1.87 0.00 0.00 60.65 58.56 3h70 h LYS 137 Cb -0.05 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.08 3h70 h LYS 137 CO -0.04 0.90 -0.95 0.00 -0.57 0.00 0.00 179.45 178.79 3h70 h ALA 138 N 1.17 0.30 0.00 3.86 0.00 -1.07 -3.34 119.26 120.18 3h70 h ALA 138 Ca 0.26 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 3h70 h ALA 138 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3h70 h ALA 138 CO -0.03 0.77 -1.07 1.79 0.00 0.00 0.00 179.25 180.71 3h70 h THR 139 N 0.30 0.25 -6.22 0.00 1.35 -1.07 -3.50 112.91 104.02 3h70 h THR 139 Ca -0.09 -1.46 -0.43 0.00 -0.55 0.00 0.00 66.41 63.88 3h70 h THR 139 Cb 1.59 1.79 0.07 0.00 -1.73 0.00 0.00 68.15 69.87 3h70 h THR 139 CO 0.17 0.14 -0.92 0.29 -0.25 0.00 0.00 175.52 174.95 3h70 n LYS 140 N -2.82 -1.77 -1.92 4.72 5.02 -0.50 -3.94 118.16 116.95 3h70 n LYS 140 Ca -0.03 0.48 -0.36 0.00 -2.02 0.00 0.00 58.31 56.37 3h70 n LYS 140 Cb 0.67 -4.31 0.05 0.00 -0.02 0.00 0.00 35.03 31.42 3h70 n LYS 140 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3h70 s PRO 141 N -5.98 2.83 0.00 1.97 0.04 -1.26 -4.76 135.00 127.83 3h70 s PRO 141 Ca 0.39 1.90 0.28 0.00 0.04 0.00 0.00 61.00 63.60 3h70 s PRO 141 Cb -0.13 -1.90 1.00 0.00 0.04 0.00 0.00 34.50 33.51 3h70 s PRO 141 CO 0.86 -1.34 1.73 0.25 0.04 0.00 0.00 177.00 178.53 3h70 n THR 142 N -1.71 0.00 -3.76 1.26 -2.24 -1.18 -4.70 114.28 101.96 3h70 n THR 142 Ca 0.14 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 3h70 n THR 142 Cb 0.49 0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 3h70 n THR 142 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3h70 s ARG 143 N -2.62 0.35 -0.10 -0.78 3.00 -1.26 -0.82 118.95 116.72 3h70 s ARG 143 Ca 0.23 0.47 0.01 0.00 -1.00 0.00 0.00 55.73 55.44 3h70 s ARG 143 Cb 0.19 0.13 0.02 0.00 0.00 0.00 0.00 34.95 35.29 3h70 s ARG 143 CO 0.53 -0.07 -0.11 0.42 0.00 0.00 0.00 175.30 176.07 3h70 s ILE 144 N 0.38 1.22 -0.39 4.11 1.01 -0.34 -0.71 121.20 126.49 3h70 s ILE 144 Ca -0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 3h70 s ILE 144 Cb -0.04 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.31 3h70 s ILE 144 CO -0.02 0.39 0.22 -0.75 0.00 0.00 0.00 174.94 174.79 3h70 s LYS 145 N 1.19 2.80 -0.19 2.79 2.20 0.65 -1.24 119.74 127.95 3h70 s LYS 145 Ca -0.04 -1.13 -0.10 0.00 -0.36 0.00 0.00 55.97 54.34 3h70 s LYS 145 Cb -0.14 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 3h70 s LYS 145 CO -0.03 -0.74 0.13 -1.17 -0.36 0.00 0.00 175.35 173.18 3h70 s LEU 146 N 1.55 4.23 0.22 5.43 2.96 0.35 -0.55 118.68 132.87 3h70 s LEU 146 Ca 0.02 0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.89 3h70 s LEU 146 Cb -0.20 -2.09 -0.08 0.00 0.50 0.00 0.00 46.19 44.32 3h70 s LEU 146 CO 0.06 0.21 1.12 -0.75 -1.32 0.00 0.00 176.35 175.67 3h70 s LYS 147 N 0.20 4.59 0.01 1.98 2.20 0.11 -1.58 119.74 127.25 3h70 s LYS 147 Ca 0.09 1.78 -0.30 0.00 -0.36 0.00 0.00 55.97 57.18 3h70 s LYS 147 Cb -0.11 -3.24 -0.06 0.00 -1.51 0.00 0.00 37.83 32.92 3h70 s LYS 147 CO -0.01 0.10 1.40 -0.46 -0.36 0.00 0.00 175.35 176.01 3h70 s TRP 148 N -0.57 2.89 0.26 4.03 -0.11 0.02 -4.82 118.94 120.65 3h70 s TRP 148 Ca 0.48 0.83 -0.02 0.00 1.22 0.00 0.00 56.10 58.62 3h70 s TRP 148 Cb -0.31 -3.66 -0.02 0.00 -1.50 0.00 0.00 33.47 27.97 3h70 s TRP 148 CO 0.38 -2.44 0.29 0.95 -4.62 0.00 0.00 176.95 171.51 3h70 s THR 149 N 2.25 0.00 0.03 5.86 -4.23 -1.26 -4.93 115.64 113.35 3h70 s THR 149 Ca 0.64 -1.82 0.29 0.00 -1.18 0.00 0.00 61.69 59.63 3h70 s THR 149 Cb -0.32 -2.47 0.30 0.00 1.34 0.00 0.00 72.50 71.35 3h70 s THR 149 CO 0.27 0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 175.60 3h70 h PRO 150 N 2.35 0.00 -0.26 3.99 0.11 -2.01 -1.96 132.00 134.22 3h70 h PRO 150 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3h70 h PRO 150 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3h70 h PRO 150 CO 0.44 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.27 3h70 n GLN 151 N -2.56 2.07 -0.25 1.05 1.13 -1.26 -4.68 117.38 112.87 3h70 n GLN 151 Ca -0.01 -1.61 0.00 0.00 -1.94 0.00 0.00 57.00 53.44 3h70 n GLN 151 Cb 0.10 -1.44 0.07 0.00 0.11 0.00 0.00 30.24 29.08 3h70 n GLN 151 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 3h70 h ILE 152 N 3.18 0.24 -0.21 5.09 2.10 -1.68 0.09 117.51 126.31 3h70 h ILE 152 Ca 0.00 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 65.81 3h70 h ILE 152 Cb 0.70 0.24 -0.01 0.00 -1.09 0.00 0.00 36.82 36.65 3h70 h ILE 152 CO 0.00 0.00 -0.42 0.24 -1.08 0.00 0.00 178.15 176.89 3h70 h MET 153 N -0.03 0.51 0.00 2.19 2.86 -1.87 -0.58 114.93 118.02 3h70 h MET 153 Ca 0.34 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3h70 h MET 153 Cb 0.55 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3h70 h MET 153 CO -0.76 0.85 -0.21 0.45 1.06 0.00 0.00 176.91 178.30 3h70 h HIS 154 N 0.42 0.00 0.11 -0.22 3.86 -1.57 -2.51 115.15 115.25 3h70 h HIS 154 Ca 0.03 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.92 3h70 h HIS 154 Cb 0.92 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.37 3h70 h HIS 154 CO 0.03 0.21 -1.67 1.96 0.86 0.00 0.00 177.93 179.33 3h70 h GLN 155 N 0.00 0.24 -0.29 2.45 4.20 -0.64 -3.30 115.11 117.76 3h70 h GLN 155 Ca -0.00 -0.41 -0.04 0.00 0.06 0.00 0.00 58.65 58.26 3h70 h GLN 155 Cb 0.62 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 3h70 h GLN 155 CO 0.03 1.08 0.01 0.82 -0.67 0.00 0.00 178.83 180.10 3h70 h ILE 156 N 0.06 1.17 -0.74 2.54 2.04 -0.99 -1.25 117.51 120.34 3h70 h ILE 156 Ca -0.29 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 64.91 3h70 h ILE 156 Cb 2.03 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 39.01 3h70 h ILE 156 CO 0.14 0.23 0.48 -0.09 0.00 0.00 0.00 178.15 178.90 3h70 h ARG 157 N 0.43 0.99 -0.11 2.37 2.43 -1.54 -0.56 114.38 118.38 3h70 h ARG 157 Ca 0.10 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3h70 h ARG 157 Cb 0.26 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3h70 h ARG 157 CO 0.01 0.67 -0.25 0.28 -1.51 0.00 0.00 179.97 179.16 3h70 h VAL 158 N 1.01 1.38 -0.62 0.20 2.07 -1.39 -3.26 116.25 115.64 3h70 h VAL 158 Ca 0.27 -1.55 0.01 0.00 0.82 0.00 0.00 66.70 66.26 3h70 h VAL 158 Cb -0.09 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3h70 h VAL 158 CO -0.06 0.45 0.41 -0.07 0.02 0.00 0.00 177.57 178.33 3h70 h LEU 159 N -0.05 0.69 0.00 2.57 3.38 -0.69 -1.68 115.31 119.53 3h70 h LEU 159 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3h70 h LEU 159 Cb 0.85 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3h70 h LEU 159 CO 0.06 0.50 0.00 0.54 0.09 0.00 0.00 178.44 179.62 3h70 n ARG 160 N -4.45 0.49 0.00 1.13 5.12 -0.27 -1.83 116.66 116.86 3h70 n ARG 160 Ca 0.07 0.04 0.11 0.00 -1.93 0.00 0.00 57.85 56.14 3h70 n ARG 160 Cb 0.06 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 29.94 3h70 n ARG 160 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3h70 n GLU 161 N -1.11 2.01 -1.98 5.56 -0.58 -0.63 -4.96 120.64 118.96 3h70 n GLU 161 Ca 0.13 -1.70 -0.36 0.00 -0.42 0.00 0.00 57.16 54.80 3h70 n GLU 161 Cb 0.10 -1.44 0.04 0.00 -0.57 0.00 0.00 31.44 29.57 3h70 n GLU 161 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3h70 s LEU 162 N -1.99 3.69 -0.05 -4.62 1.43 -0.76 -4.89 118.68 111.48 3h70 s LEU 162 Ca 0.25 2.44 0.02 0.00 -1.03 0.00 0.00 54.13 55.81 3h70 s LEU 162 Cb 0.19 -4.56 0.13 0.00 0.03 0.00 0.00 46.19 41.98 3h70 s LEU 162 CO 0.33 -1.60 0.85 -0.90 0.23 0.00 0.00 176.35 175.26 3h70 n ASP 163 N -1.52 2.22 -3.91 2.29 5.68 -1.26 -4.80 116.55 115.25 3h70 n ASP 163 Ca 0.13 -2.19 -0.11 0.00 -0.50 0.00 0.00 54.79 52.13 3h70 n ASP 163 Cb 0.49 -0.54 -0.11 0.00 -1.14 0.00 0.00 41.12 39.82 3h70 n ASP 163 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3h70 s PHE 164 N -1.06 0.09 0.24 2.11 -0.12 -1.26 -5.15 117.98 112.82 3h70 s PHE 164 Ca 0.09 -0.20 -0.21 0.00 -0.05 0.00 0.00 56.93 56.56 3h70 s PHE 164 Cb 0.07 -0.08 -0.08 0.00 -0.63 0.00 0.00 43.02 42.30 3h70 s PHE 164 CO 0.02 -0.19 0.76 -1.58 -0.05 0.00 0.00 175.22 174.19 3h70 s HIS 165 N -1.06 3.67 0.09 3.49 5.65 -1.26 -5.04 115.29 120.83 3h70 s HIS 165 Ca -0.12 1.47 -0.17 0.00 0.25 0.00 0.00 55.06 56.49 3h70 s HIS 165 Cb -0.07 -2.68 0.04 0.00 -1.18 0.00 0.00 32.58 28.69 3h70 s HIS 165 CO 0.00 0.33 0.41 -0.59 -0.65 0.00 0.00 174.74 174.24 3h70 s PHE 166 N -1.52 -0.23 0.05 3.88 -0.12 -1.26 -4.75 117.98 114.03 3h70 s PHE 166 Ca 0.44 0.03 -0.24 0.00 -0.05 0.00 0.00 56.93 57.11 3h70 s PHE 166 Cb -0.17 0.25 -0.06 0.00 -0.63 0.00 0.00 43.02 42.40 3h70 s PHE 166 CO 0.22 -0.65 0.72 -0.65 -0.05 0.00 0.00 175.22 174.80 3h70 s GLN 167 N -3.27 4.45 -0.23 1.99 -1.52 -0.00 -4.93 119.66 116.15 3h70 s GLN 167 Ca -0.00 0.98 -0.08 0.00 -1.95 0.00 0.00 55.36 54.31 3h70 s GLN 167 Cb 0.01 -3.34 -0.03 0.00 -0.22 0.00 0.00 33.01 29.42 3h70 s GLN 167 CO -0.08 0.35 0.08 -1.17 -0.25 0.00 0.00 175.29 174.21 3h70 s LEU 168 N -0.24 3.59 -0.01 2.90 2.96 -1.26 -1.20 118.68 125.43 3h70 s LEU 168 Ca 0.36 -0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.23 3h70 s LEU 168 Cb -0.20 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3h70 s LEU 168 CO 0.22 0.02 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.36 3h70 s VAL 169 N 1.28 2.42 -0.04 1.68 1.01 -0.37 -0.54 120.40 125.85 3h70 s VAL 169 Ca 0.05 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 61.00 3h70 s VAL 169 Cb -0.15 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3h70 s VAL 169 CO 0.04 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 174.83 3h70 s ILE 170 N -0.72 2.70 -0.24 2.22 -1.09 -0.96 -0.49 121.20 122.61 3h70 s ILE 170 Ca 0.11 -0.86 0.02 0.00 -2.23 0.00 0.00 60.65 57.69 3h70 s ILE 170 Cb -0.10 -2.02 0.05 0.00 -1.58 0.00 0.00 42.46 38.80 3h70 s ILE 170 CO 0.01 0.59 -0.12 -0.62 -1.23 0.00 0.00 174.94 173.56 3h70 s ASP 171 N -0.64 4.12 0.00 3.58 -1.08 -0.62 0.01 116.67 122.04 3h70 s ASP 171 Ca 0.10 -1.14 0.26 0.00 -0.52 0.00 0.00 52.55 51.25 3h70 s ASP 171 Cb -0.11 -1.55 0.61 0.00 -1.46 0.00 0.00 42.92 40.40 3h70 s ASP 171 CO 0.00 -0.14 1.48 0.00 0.52 0.00 0.00 175.17 177.04 3h70 n ALA 172 N 4.52 2.75 -4.23 3.66 0.00 -0.46 -0.80 120.51 125.95 3h70 n ALA 172 Ca -0.16 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.41 3h70 n ALA 172 Cb 0.45 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 3h70 n ALA 172 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h70 n ASN 173 N 0.37 -1.44 -4.03 0.00 4.13 -1.23 -1.39 115.26 111.67 3h70 n ASN 173 Ca 0.15 -1.10 -0.31 0.00 1.68 0.00 0.00 54.58 54.99 3h70 n ASN 173 Cb 0.44 -2.41 -0.00 0.00 -1.54 0.00 0.00 39.78 36.27 3h70 n ASN 173 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3h70 n GLU 174 N -4.38 -4.15 0.00 3.52 1.02 0.15 -4.88 120.64 111.93 3h70 n GLU 174 Ca -0.10 0.47 0.01 0.00 -0.02 0.00 0.00 57.16 57.52 3h70 n GLU 174 Cb 0.58 -5.15 0.00 0.00 -0.02 0.00 0.00 31.44 26.85 3h70 n GLU 174 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3h70 n SER 175 N -2.80 0.95 -4.88 1.62 3.41 -0.48 -3.71 113.62 107.72 3h70 n SER 175 Ca -0.03 -0.97 -0.30 0.00 -0.26 0.00 0.00 58.87 57.31 3h70 n SER 175 Cb 0.55 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 3h70 n SER 175 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h70 s LEU 176 N -0.35 3.75 0.00 1.04 1.43 -0.12 -5.01 118.68 119.41 3h70 s LEU 176 Ca 0.01 1.11 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 3h70 s LEU 176 Cb 0.01 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 3h70 s LEU 176 CO 0.02 -0.47 0.15 -0.90 0.23 0.00 0.00 176.35 175.37 3h70 n ASP 177 N -1.61 0.65 0.12 2.29 5.68 -1.26 -4.62 116.55 117.80 3h70 n ASP 177 Ca 0.02 -2.69 0.19 0.00 -0.50 0.00 0.00 54.79 51.81 3h70 n ASP 177 Cb 0.54 0.95 0.76 0.00 -1.14 0.00 0.00 41.12 42.24 3h70 n ASP 177 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3h70 h ARG 178 N 0.00 0.00 0.00 0.11 3.08 -2.00 0.74 114.38 116.32 3h70 h ARG 178 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3h70 h ARG 178 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3h70 h ARG 178 CO 0.35 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 180.29 3h70 n GLN 179 N -3.92 0.01 0.00 0.04 1.13 -1.26 -2.89 117.38 110.50 3h70 n GLN 179 Ca 0.05 0.13 0.12 0.00 -1.94 0.00 0.00 57.00 55.36 3h70 n GLN 179 Cb 0.49 -1.51 0.20 0.00 0.11 0.00 0.00 30.24 29.52 3h70 n GLN 179 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3h70 n ASP 180 N -1.53 1.82 -0.05 1.08 10.43 0.25 -4.48 116.55 124.08 3h70 n ASP 180 Ca 0.05 -1.41 -0.08 0.00 2.57 0.00 0.00 54.79 55.93 3h70 n ASP 180 Cb 0.26 0.24 -0.02 0.00 1.84 0.00 0.00 41.12 43.44 3h70 n ASP 180 CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 3h70 h PHE 181 N 2.43 -0.33 -0.47 1.24 -1.00 -1.62 0.01 116.94 117.19 3h70 h PHE 181 Ca 0.00 0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.87 3h70 h PHE 181 Cb 0.69 0.18 -0.05 0.00 3.61 0.00 0.00 35.95 40.38 3h70 h PHE 181 CO 0.00 -0.20 0.17 1.15 -1.61 0.00 0.00 178.31 177.82 3h70 h THR 182 N -0.12 0.85 -0.16 -1.55 2.02 -1.84 -0.86 112.91 111.26 3h70 h THR 182 Ca 0.13 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 3h70 h THR 182 Cb 0.31 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3h70 h THR 182 CO -0.30 0.06 -0.42 -0.61 0.37 0.00 0.00 175.52 174.62 3h70 h GLN 183 N 0.35 0.36 -0.78 6.66 4.15 -1.78 -1.87 115.11 122.20 3h70 h GLN 183 Ca 0.22 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3h70 h GLN 183 Cb 0.22 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 3h70 h GLN 183 CO -0.22 0.72 0.38 -0.07 -1.93 0.00 0.00 178.83 177.71 3h70 h LEU 184 N 0.30 1.00 -0.56 -2.39 3.38 -0.16 0.35 115.31 117.23 3h70 h LEU 184 Ca 0.03 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 3h70 h LEU 184 Cb 0.87 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3h70 h LEU 184 CO 0.07 0.84 -0.70 1.56 0.09 0.00 0.00 178.44 180.30 3h70 h GLN 185 N 1.10 0.12 -0.12 1.13 4.20 -0.94 -2.92 115.11 117.68 3h70 h GLN 185 Ca 0.27 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 3h70 h GLN 185 Cb 0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3h70 h GLN 185 CO -0.04 0.77 -0.54 1.25 -0.67 0.00 0.00 178.83 179.61 3h70 h LEU 186 N 0.08 0.38 -1.80 1.46 5.85 -0.81 -2.63 115.31 117.84 3h70 h LEU 186 Ca -0.01 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3h70 h LEU 186 Cb 1.24 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3h70 h LEU 186 CO 0.10 0.85 -0.14 0.25 -0.34 0.00 0.00 178.44 179.15 3h70 h LEU 187 N 0.27 0.00 -2.33 2.25 5.85 -0.76 -2.19 115.31 118.39 3h70 h LEU 187 Ca 0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h70 h LEU 187 Cb 1.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3h70 h LEU 187 CO 0.09 0.14 -0.02 0.00 -0.34 0.00 0.00 178.44 178.31 3h70 h ALA 188 N 1.86 1.08 -0.25 1.25 0.00 -1.31 -0.84 119.26 121.04 3h70 h ALA 188 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h70 h ALA 188 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h70 h ALA 188 CO 0.02 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.84 3h70 n ARG 189 N -3.22 1.81 -0.75 0.00 1.74 -0.82 -4.01 116.66 111.41 3h70 n ARG 189 Ca -0.02 -1.23 0.02 0.00 -0.77 0.00 0.00 57.85 55.86 3h70 n ARG 189 Cb 0.17 -1.36 0.29 0.00 -1.02 0.00 0.00 32.46 30.54 3h70 n ARG 189 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3h70 n GLU 190 N 0.46 3.37 -3.75 5.56 -0.58 -0.32 -4.97 120.64 120.42 3h70 n GLU 190 Ca 0.15 -3.02 -0.25 0.00 -0.42 0.00 0.00 57.16 53.61 3h70 n GLU 190 Cb 0.34 -2.03 0.02 0.00 -0.57 0.00 0.00 31.44 29.20 3h70 n GLU 190 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3h70 n GLN 191 N -0.29 -3.15 -2.92 3.49 3.00 -1.26 -4.93 117.38 111.32 3h70 n GLN 191 Ca 0.30 0.52 -0.41 0.00 -0.01 0.00 0.00 57.00 57.39 3h70 n GLN 191 Cb 1.12 -4.68 -0.04 0.00 0.00 0.00 0.00 30.24 26.63 3h70 n GLN 191 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3h70 s VAL 192 N -3.68 4.89 0.20 5.09 1.01 -1.26 -4.35 120.40 122.29 3h70 s VAL 192 Ca 0.17 1.55 -0.11 0.00 0.00 0.00 0.00 61.98 63.58 3h70 s VAL 192 Cb -0.06 -4.10 0.12 0.00 0.00 0.00 0.00 36.38 32.34 3h70 s VAL 192 CO 0.85 0.01 1.85 0.25 0.00 0.00 0.00 175.10 178.06 3h70 h LEU 193 N 8.55 0.71 -7.00 3.92 5.85 -1.17 -3.41 115.31 122.76 3h70 h LEU 193 Ca -0.28 -0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.62 3h70 h LEU 193 Cb 1.12 -0.17 -0.21 0.00 0.37 0.00 0.00 40.66 41.77 3h70 h LEU 193 CO 0.84 0.51 0.73 -0.72 -0.34 0.00 0.00 178.44 179.46 3h70 s TYR 194 N -6.13 -0.20 -0.15 1.25 -0.85 -1.26 -4.41 117.35 105.59 3h70 s TYR 194 Ca -0.13 0.24 0.01 0.00 -0.52 0.00 0.00 57.07 56.67 3h70 s TYR 194 Cb 0.14 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.98 3h70 s TYR 194 CO 0.76 -0.25 -0.18 -1.50 -1.52 0.00 0.00 175.55 172.87 3h70 s ILE 195 N -1.84 2.39 -0.01 -3.49 2.07 0.48 -2.28 121.20 118.53 3h70 s ILE 195 Ca 0.06 -0.86 -0.29 0.00 -1.41 0.00 0.00 60.65 58.15 3h70 s ILE 195 Cb -0.01 -1.99 -0.03 0.00 0.13 0.00 0.00 42.46 40.56 3h70 s ILE 195 CO -0.04 0.53 0.94 -1.61 -1.91 0.00 0.00 174.94 172.84 3h70 s GLU 196 N 0.89 4.54 -0.88 3.50 2.02 0.10 -1.48 118.70 127.39 3h70 s GLU 196 Ca -0.04 1.33 -0.10 0.00 0.02 0.00 0.00 54.97 56.18 3h70 s GLU 196 Cb -0.15 -3.46 0.01 0.00 0.10 0.00 0.00 34.13 30.63 3h70 s GLU 196 CO -0.02 -0.04 0.58 0.39 0.02 0.00 0.00 175.26 176.19 3h70 n GLU 197 N 3.90 -1.06 -0.29 1.61 -0.58 -0.72 -1.35 120.64 122.15 3h70 n GLU 197 Ca 0.05 0.47 -0.06 0.00 -0.42 0.00 0.00 57.16 57.20 3h70 n GLU 197 Cb 0.51 -2.08 0.07 0.00 -0.57 0.00 0.00 31.44 29.37 3h70 n GLU 197 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3h70 h PRO 198 N -0.84 1.19 -6.52 3.49 0.13 -1.86 0.44 132.00 128.03 3h70 h PRO 198 Ca -0.62 -0.22 -0.66 0.00 -0.87 0.00 0.00 66.00 63.63 3h70 h PRO 198 Cb 1.30 -0.19 -0.27 0.00 0.13 0.00 0.00 31.00 31.97 3h70 h PRO 198 CO 0.38 0.96 -0.87 -0.06 -0.23 0.00 0.00 178.00 178.19 3h70 s PHE 199 N -5.54 2.18 0.13 1.56 0.08 -1.26 -0.94 117.98 114.18 3h70 s PHE 199 Ca -0.12 -0.40 -0.14 0.00 0.12 0.00 0.00 56.93 56.38 3h70 s PHE 199 Cb 0.16 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 3h70 s PHE 199 CO 0.84 0.07 1.56 -0.22 -0.10 0.00 0.00 175.22 177.37 3h70 h LYS 200 N 5.01 0.73 -4.81 0.44 1.63 -1.82 -3.36 116.57 114.39 3h70 h LYS 200 Ca -0.44 -0.25 -0.69 0.00 -0.85 0.00 0.00 60.65 58.41 3h70 h LYS 200 Cb 1.14 -0.06 -0.19 0.00 -0.60 0.00 0.00 32.23 32.52 3h70 h LYS 200 CO 0.45 0.84 0.15 0.34 -3.45 0.00 0.00 179.45 177.77 3h70 s ASP 201 N -6.27 6.19 0.64 4.20 -1.08 -1.26 -4.92 116.67 114.17 3h70 s ASP 201 Ca -0.13 -1.30 0.37 0.00 -0.52 0.00 0.00 52.55 50.97 3h70 s ASP 201 Cb 0.10 -2.31 2.07 0.00 -1.46 0.00 0.00 42.92 41.32 3h70 s ASP 201 CO 0.80 -1.11 2.22 -0.29 0.52 0.00 0.00 175.17 177.31 3h70 h ILE 202 N 5.92 0.15 0.00 4.11 2.10 -2.02 -1.35 117.51 126.43 3h70 h ILE 202 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.65 3h70 h ILE 202 Cb 1.09 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 37.72 3h70 h ILE 202 CO 1.09 0.00 0.00 0.77 -1.08 0.00 0.00 178.15 178.93 3h70 h SER 203 N 0.00 0.00 0.25 2.19 4.64 -1.94 -2.13 113.55 116.57 3h70 h SER 203 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3h70 h SER 203 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3h70 h SER 203 CO -0.00 0.00 -0.02 0.24 -0.87 0.00 0.00 176.83 176.18 3h70 h MET 204 N 0.00 0.00 0.00 4.77 2.86 -1.65 -2.15 114.93 118.76 3h70 h MET 204 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3h70 h MET 204 Cb 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 3h70 h MET 204 CO 0.00 0.02 -0.08 -0.07 1.06 0.00 0.00 176.91 177.85 3h70 h LEU 205 N 0.00 0.00 -0.21 1.22 3.38 -1.61 -1.36 115.31 116.74 3h70 h LEU 205 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h70 h LEU 205 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h70 h LEU 205 CO 0.00 0.08 0.00 0.47 0.09 0.00 0.00 178.44 179.08 3h70 n ASP 206 N -4.06 0.25 -0.02 -0.43 9.92 -0.81 -2.85 116.55 118.55 3h70 n ASP 206 Ca -0.03 0.55 0.13 0.00 -0.53 0.00 0.00 54.79 54.92 3h70 n ASP 206 Cb 0.16 -0.61 0.45 0.00 -0.64 0.00 0.00 41.12 40.48 3h70 n ASP 206 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3h70 n GLU 207 N -1.76 0.10 -4.90 -1.24 1.02 -0.51 -4.85 120.64 108.49 3h70 n GLU 207 Ca 0.04 -0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.83 3h70 n GLU 207 Cb 0.22 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 3h70 n GLU 207 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3h70 s VAL 208 N -2.93 2.31 0.08 2.62 -7.23 -1.13 -5.08 120.40 109.03 3h70 s VAL 208 Ca 0.15 -1.29 -0.33 0.00 -1.81 0.00 0.00 61.98 58.70 3h70 s VAL 208 Cb 0.18 -1.90 -0.12 0.00 0.56 0.00 0.00 36.38 35.10 3h70 s VAL 208 CO 0.60 0.40 1.75 0.00 -0.31 0.00 0.00 175.10 177.53 3h70 n ALA 209 N 1.83 1.47 -1.83 1.32 0.00 -1.26 -4.88 120.51 117.15 3h70 n ALA 209 Ca -0.17 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 3h70 n ALA 209 Cb 0.52 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 3h70 n ALA 209 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h70 s ASP 210 N 2.39 6.50 0.00 0.00 -1.08 -1.26 -1.99 116.67 121.23 3h70 s ASP 210 Ca 0.84 2.68 0.00 0.00 -0.52 0.00 0.00 52.55 55.54 3h70 s ASP 210 Cb -0.62 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.25 3h70 s ASP 210 CO 0.42 -0.92 0.00 0.61 0.52 0.00 0.00 175.17 175.80 3h70 n GLY 211 N 3.98 0.62 0.70 2.66 0.00 -1.26 -4.89 105.19 107.00 3h70 n GLY 211 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3h70 n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h70 n THR 212 N -2.00 0.00 -4.35 2.61 -2.24 -0.84 -4.91 114.28 102.55 3h70 n THR 212 Ca 0.00 -0.37 -0.18 0.00 -2.27 0.00 0.00 64.05 61.23 3h70 n THR 212 Cb 0.00 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 3h70 n THR 212 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3h70 s ILE 213 N -2.18 1.48 0.96 2.28 -4.36 -1.26 -4.23 121.20 113.89 3h70 s ILE 213 Ca 0.26 -2.13 -0.11 0.00 -0.26 0.00 0.00 60.65 58.42 3h70 s ILE 213 Cb 0.20 -2.18 0.17 0.00 1.25 0.00 0.00 42.46 41.90 3h70 s ILE 213 CO 0.40 -0.49 1.11 -2.84 0.24 0.00 0.00 174.94 173.36 3h70 s PRO 214 N -3.73 0.66 0.35 0.37 0.02 -1.26 -4.91 135.00 126.50 3h70 s PRO 214 Ca 0.24 1.31 -0.28 0.00 0.02 0.00 0.00 61.00 62.29 3h70 s PRO 214 Cb 0.02 -1.70 -0.12 0.00 0.02 0.00 0.00 34.50 32.72 3h70 s PRO 214 CO 0.07 -2.80 1.40 -2.30 -0.33 0.00 0.00 177.00 173.04 3h70 n PRO 215 N -4.33 2.39 -3.51 5.54 -0.02 -1.26 -4.70 135.00 129.10 3h70 n PRO 215 Ca 0.09 0.84 -0.38 0.00 -2.02 0.00 0.00 63.50 62.03 3h70 n PRO 215 Cb 0.53 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 3h70 n PRO 215 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h70 s ILE 216 N -0.97 5.14 0.14 4.25 -1.09 -1.26 -0.39 121.20 127.03 3h70 s ILE 216 Ca 0.56 0.75 0.11 0.00 -2.23 0.00 0.00 60.65 59.84 3h70 s ILE 216 Cb -0.53 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 3h70 s ILE 216 CO 0.61 0.51 -0.26 0.00 -1.23 0.00 0.00 174.94 174.58 3h70 s ALA 217 N -0.57 2.37 -0.11 9.38 0.00 -0.55 -1.47 121.76 130.82 3h70 s ALA 217 Ca 0.22 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 3h70 s ALA 217 Cb -0.15 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3h70 s ALA 217 CO 0.10 0.50 0.07 -0.51 0.00 0.00 0.00 175.76 175.93 3h70 s LEU 218 N -2.17 3.96 0.00 0.00 1.43 -0.21 -1.75 118.68 119.95 3h70 s LEU 218 Ca 0.15 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3h70 s LEU 218 Cb -0.10 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3h70 s LEU 218 CO 0.07 0.38 0.00 -0.67 0.23 0.00 0.00 176.35 176.36 3h70 n ASP 219 N 2.13 0.00 -0.15 2.29 -0.08 -1.26 -0.60 116.55 118.88 3h70 n ASP 219 Ca -0.19 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.21 3h70 n ASP 219 Cb 0.54 0.00 0.47 0.00 2.34 0.00 0.00 41.12 44.47 3h70 n ASP 219 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3h70 h GLU 220 N 0.00 0.47 -0.00 -0.67 3.07 -1.94 -1.30 114.58 114.22 3h70 h GLU 220 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3h70 h GLU 220 Cb 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3h70 h GLU 220 CO 0.00 0.31 -0.07 1.63 -1.40 0.00 0.00 179.01 179.48 3h70 n LYS 221 N -4.48 0.72 -1.87 2.33 5.02 -1.26 -4.40 118.16 114.22 3h70 n LYS 221 Ca 0.12 -0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 55.81 3h70 n LYS 221 Cb 0.43 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.93 3h70 n LYS 221 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h70 n ALA 222 N -0.97 6.05 0.09 7.82 0.00 -0.49 -4.69 120.51 128.32 3h70 n ALA 222 Ca 0.16 -3.97 -0.14 0.00 0.00 0.00 0.00 53.44 49.48 3h70 n ALA 222 Cb 0.25 -3.24 -0.10 0.00 0.00 0.00 0.00 19.45 16.37 3h70 n ALA 222 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3h70 h THR 223 N 3.55 1.48 -2.92 0.00 1.35 -1.83 -3.45 112.91 111.09 3h70 h THR 223 Ca 0.59 -2.87 -0.02 0.00 -0.55 0.00 0.00 66.41 63.56 3h70 h THR 223 Cb 0.52 2.75 -0.13 0.00 -1.73 0.00 0.00 68.15 69.57 3h70 h THR 223 CO 1.74 0.84 0.20 -0.94 -0.25 0.00 0.00 175.52 177.11 3h70 s SER 224 N -7.09 -0.57 0.18 5.36 1.04 -1.26 -4.78 113.70 106.58 3h70 s SER 224 Ca -0.04 0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.31 3h70 s SER 224 Cb 0.08 0.59 0.14 0.00 0.10 0.00 0.00 66.02 66.93 3h70 s SER 224 CO 0.87 -0.93 1.78 0.25 0.98 0.00 0.00 173.24 176.18 3h70 h LEU 225 N 2.11 0.32 -0.49 2.42 5.85 -1.93 -0.50 115.31 123.08 3h70 h LEU 225 Ca -0.33 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.43 3h70 h LEU 225 Cb 1.29 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 3h70 h LEU 225 CO 0.38 0.22 0.32 -0.07 -0.34 0.00 0.00 178.44 178.96 3h70 h LEU 226 N 0.46 0.55 -0.66 2.25 3.38 -1.99 -1.31 115.31 117.98 3h70 h LEU 226 Ca 0.23 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 3h70 h LEU 226 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3h70 h LEU 226 CO -0.18 0.39 -0.26 0.44 0.09 0.00 0.00 178.44 178.93 3h70 h ASP 227 N 0.65 0.79 -0.55 -0.43 3.45 -1.89 -1.84 116.42 116.61 3h70 h ASP 227 Ca 0.19 -0.30 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 3h70 h ASP 227 Cb -0.05 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.47 3h70 h ASP 227 CO -0.05 1.01 0.30 0.40 -1.57 0.00 0.00 179.24 179.33 3h70 h ILE 228 N 0.67 1.19 -0.65 0.35 2.04 -0.78 -1.42 117.51 118.90 3h70 h ILE 228 Ca 0.09 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 3h70 h ILE 228 Cb 0.78 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3h70 h ILE 228 CO 0.06 0.20 0.25 0.40 0.00 0.00 0.00 178.15 179.07 3h70 h ILE 229 N 0.75 1.24 -0.94 -0.67 2.04 -1.07 -0.99 117.51 117.88 3h70 h ILE 229 Ca 0.19 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3h70 h ILE 229 Cb 0.06 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3h70 h ILE 229 CO -0.03 0.30 0.55 0.78 0.00 0.00 0.00 178.15 179.75 3h70 h ASN 230 N 0.92 1.13 -0.15 1.72 2.35 -0.92 -1.24 115.58 119.39 3h70 h ASN 230 Ca 0.22 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 3h70 h ASN 230 Cb 0.22 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3h70 h ASN 230 CO -0.02 0.88 -0.49 -0.07 -1.65 0.00 0.00 177.43 176.08 3h70 h LEU 231 N 1.29 0.79 -0.87 1.61 3.38 -0.96 -2.88 115.31 117.68 3h70 h LEU 231 Ca 0.33 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3h70 h LEU 231 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3h70 h LEU 231 CO -0.06 1.14 0.14 0.40 0.09 0.00 0.00 178.44 180.15 3h70 h ILE 232 N 0.57 1.25 0.00 1.22 2.04 -0.79 0.04 117.51 121.83 3h70 h ILE 232 Ca 0.03 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3h70 h ILE 232 Cb 1.05 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3h70 h ILE 232 CO 0.10 0.35 0.00 -0.33 0.00 0.00 0.00 178.15 178.27 3h70 h GLU 233 N 0.94 0.00 0.00 2.37 4.39 -1.17 -3.32 114.58 117.79 3h70 h GLU 233 Ca 0.20 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.60 3h70 h GLU 233 Cb 0.35 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 3h70 h GLU 233 CO 0.00 0.00 -2.12 1.28 -1.16 0.00 0.00 179.01 177.01 3h70 n LEU 234 N -2.84 0.73 -4.39 1.33 4.77 -0.99 -5.04 117.00 110.58 3h70 n LEU 234 Ca 0.02 -0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 3h70 n LEU 234 Cb 0.35 0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 3h70 n LEU 234 CO 0.27 0.51 -0.40 -0.31 -1.33 0.00 0.00 177.39 176.13 3h70 s TYR 235 N -2.39 1.83 -1.21 -1.77 2.02 -0.03 -5.06 117.35 110.74 3h70 s TYR 235 Ca -0.13 -0.64 -0.21 0.00 -0.37 0.00 0.00 57.07 55.72 3h70 s TYR 235 Cb 0.05 -0.96 -0.00 0.00 -0.40 0.00 0.00 41.96 40.66 3h70 s TYR 235 CO 0.61 0.31 1.80 1.21 -1.57 0.00 0.00 175.55 177.92 3h70 s ASN 236 N -3.38 6.00 -0.15 2.29 2.47 -1.26 -4.56 114.94 116.35 3h70 s ASN 236 Ca 0.26 -1.94 -0.04 0.00 0.42 0.00 0.00 52.86 51.56 3h70 s ASN 236 Cb 0.02 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.21 3h70 s ASN 236 CO 0.09 -2.05 -0.03 -0.69 -3.72 0.00 0.00 177.10 170.71 3h70 s VAL 237 N 7.32 3.95 -0.01 -5.21 1.01 -1.26 -4.49 120.40 121.71 3h70 s VAL 237 Ca 0.60 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3h70 s VAL 237 Cb 0.01 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 3h70 s VAL 237 CO 0.08 0.50 0.07 0.29 0.00 0.00 0.00 175.10 176.05 3h70 n LYS 238 N 3.40 0.82 -4.42 2.72 5.02 -0.54 -4.79 118.16 120.36 3h70 n LYS 238 Ca -0.17 -0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 55.89 3h70 n LYS 238 Cb 0.53 -1.10 -0.14 0.00 -0.02 0.00 0.00 35.03 34.30 3h70 n LYS 238 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h70 s VAL 239 N -2.25 0.99 -0.08 -0.18 1.01 -0.71 -0.43 120.40 118.75 3h70 s VAL 239 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3h70 s VAL 239 Cb 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.56 3h70 s VAL 239 CO 0.17 0.11 -0.07 -0.69 0.00 0.00 0.00 175.10 174.62 3h70 s VAL 240 N -0.59 0.84 -0.49 2.92 1.01 -0.31 -1.04 120.40 122.74 3h70 s VAL 240 Ca 0.02 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 3h70 s VAL 240 Cb -0.06 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.50 3h70 s VAL 240 CO 0.00 0.32 0.74 -0.69 0.00 0.00 0.00 175.10 175.47 3h70 s VAL 241 N 1.31 4.70 -0.17 2.92 1.01 0.24 -1.20 120.40 129.21 3h70 s VAL 241 Ca -0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 3h70 s VAL 241 Cb -0.14 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 3h70 s VAL 241 CO -0.03 -0.83 0.30 -0.76 0.00 0.00 0.00 175.10 173.79 3h70 s LEU 242 N 3.12 4.23 -0.29 3.92 1.43 0.11 -4.69 118.68 126.51 3h70 s LEU 242 Ca 0.23 0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 53.77 3h70 s LEU 242 Cb -0.15 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.69 3h70 s LEU 242 CO 0.17 0.08 0.07 -0.54 0.23 0.00 0.00 176.35 176.36 3h70 s LYS 243 N 0.57 3.14 0.31 1.70 1.02 -1.26 -0.56 119.74 124.66 3h70 s LYS 243 Ca 0.17 -0.82 0.06 0.00 0.02 0.00 0.00 55.97 55.40 3h70 s LYS 243 Cb -0.13 -3.34 0.84 0.00 -0.52 0.00 0.00 37.83 34.68 3h70 s LYS 243 CO 0.04 -0.41 1.65 -1.35 -0.92 0.00 0.00 175.35 174.37 3h70 h PRO 244 N 8.22 0.25 0.00 -1.68 0.11 -1.91 -0.95 132.00 136.04 3h70 h PRO 244 Ca -0.32 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 3h70 h PRO 244 Cb 1.13 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3h70 h PRO 244 CO 0.60 0.17 -0.19 0.27 -0.21 0.00 0.00 178.00 178.64 3h70 h PHE 245 N 0.26 0.00 0.00 0.65 -5.15 -1.91 -0.61 116.94 110.17 3h70 h PHE 245 Ca 0.61 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.34 3h70 h PHE 245 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.46 3h70 h PHE 245 CO -0.18 0.19 -0.19 0.00 -2.00 0.00 0.00 178.31 176.13 3h70 h ARG 246 N 0.00 0.00 0.00 6.09 3.08 -1.49 -2.48 114.38 119.58 3h70 h ARG 246 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h70 h ARG 246 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3h70 h ARG 246 CO 0.02 0.19 -0.49 1.28 -1.07 0.00 0.00 179.97 179.90 3h70 n LEU 247 N -3.35 0.50 0.00 3.04 4.77 -0.64 -4.69 117.00 116.63 3h70 n LEU 247 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3h70 n LEU 247 Cb 0.41 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3h70 n LEU 247 CO 0.33 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3h70 n GLY 248 N 1.46 0.77 0.00 -0.72 0.00 -0.93 -4.84 105.19 100.92 3h70 n GLY 248 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3h70 n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h70 n GLY 249 N -0.95 2.17 0.30 -0.02 0.00 -0.33 -2.38 105.19 103.98 3h70 n GLY 249 Ca 0.00 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.14 3h70 n GLY 249 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h70 h ILE 250 N 1.46 0.42 0.00 -0.61 2.04 -1.87 -1.69 117.51 117.26 3h70 h ILE 250 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3h70 h ILE 250 Cb 0.00 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 3h70 h ILE 250 CO 0.00 0.05 0.00 -0.90 0.00 0.00 0.00 178.15 177.30 3h70 n ASP 251 N -5.15 0.21 -0.45 1.72 5.75 -1.26 -2.76 116.55 114.61 3h70 n ASP 251 Ca 0.19 0.55 0.11 0.00 -0.01 0.00 0.00 54.79 55.63 3h70 n ASP 251 Cb 0.61 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 40.09 3h70 n ASP 251 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3h70 n LYS 252 N -1.73 1.20 0.15 0.11 4.76 -0.64 -4.63 118.16 117.39 3h70 n LYS 252 Ca 0.03 -0.91 -0.13 0.00 -2.87 0.00 0.00 58.31 54.43 3h70 n LYS 252 Cb 0.18 -1.45 -0.08 0.00 -1.84 0.00 0.00 35.03 31.83 3h70 n LYS 252 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3h70 h VAL 253 N 2.20 0.69 -0.26 -0.18 2.07 -1.57 -2.78 116.25 116.43 3h70 h VAL 253 Ca 0.00 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3h70 h VAL 253 Cb 0.72 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3h70 h VAL 253 CO 0.00 0.12 -0.02 -0.61 0.02 0.00 0.00 177.57 177.08 3h70 h GLN 254 N -0.77 0.05 -0.93 1.57 5.75 -1.82 0.28 115.11 119.25 3h70 h GLN 254 Ca -0.04 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3h70 h GLN 254 Cb 0.51 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.99 3h70 h GLN 254 CO 0.07 0.03 0.61 1.79 -2.65 0.00 0.00 178.83 178.68 3h70 h THR 255 N 0.05 1.13 -0.29 2.39 1.35 -1.85 0.26 112.91 115.96 3h70 h THR 255 Ca 0.12 -0.39 -0.03 0.00 -0.55 0.00 0.00 66.41 65.56 3h70 h THR 255 Cb 0.17 -0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.47 3h70 h THR 255 CO -0.22 0.21 0.05 0.00 -0.25 0.00 0.00 175.52 175.30 3h70 h ALA 256 N 1.47 0.38 -0.54 6.62 0.00 -1.05 -1.47 119.26 124.68 3h70 h ALA 256 Ca 0.38 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3h70 h ALA 256 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3h70 h ALA 256 CO -0.13 0.07 0.33 0.82 0.00 0.00 0.00 179.25 180.35 3h70 h ILE 257 N 0.30 1.08 -0.52 0.00 2.04 -0.16 0.45 117.51 120.70 3h70 h ILE 257 Ca 0.09 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3h70 h ILE 257 Cb 0.33 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3h70 h ILE 257 CO 0.01 0.12 0.24 0.44 0.00 0.00 0.00 178.15 178.95 3h70 h ASP 258 N 0.66 0.69 -0.33 1.72 3.32 -0.83 -1.23 116.42 120.42 3h70 h ASP 258 Ca 0.21 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3h70 h ASP 258 Cb -0.00 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3h70 h ASP 258 CO -0.08 0.63 0.10 0.74 -1.72 0.00 0.00 179.24 178.91 3h70 h THR 259 N 0.69 1.21 -0.16 0.35 2.02 -0.89 -2.12 112.91 114.00 3h70 h THR 259 Ca 0.18 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 3h70 h THR 259 Cb 0.14 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3h70 h THR 259 CO -0.02 0.23 -0.19 -0.07 0.37 0.00 0.00 175.52 175.84 3h70 h LEU 260 N 0.38 0.26 -0.80 2.58 3.38 -0.78 -2.21 115.31 118.12 3h70 h LEU 260 Ca 0.11 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3h70 h LEU 260 Cb 0.26 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3h70 h LEU 260 CO -0.00 0.47 -0.53 0.11 0.09 0.00 0.00 178.44 178.57 3h70 h LYS 261 N 0.25 0.18 0.00 1.13 1.57 -1.04 -1.78 116.57 116.88 3h70 h LYS 261 Ca 0.05 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3h70 h LYS 261 Cb 0.48 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3h70 h LYS 261 CO 0.03 0.67 0.00 -1.13 -0.57 0.00 0.00 179.45 178.45 3h70 n SER 262 N -3.92 0.65 -1.17 0.86 3.41 -0.81 -1.25 113.62 111.38 3h70 n SER 262 Ca -0.02 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3h70 n SER 262 Cb 0.56 -0.80 0.22 0.00 -0.26 0.00 0.00 64.21 63.94 3h70 n SER 262 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3h70 n HIS 263 N -2.22 0.53 -1.54 7.33 8.25 -0.83 -4.96 115.22 121.78 3h70 n HIS 263 Ca 0.02 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 3h70 n HIS 263 Cb 0.22 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 3h70 n HIS 263 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h70 n GLY 264 N 1.51 0.44 3.48 -1.41 0.00 -0.38 -5.00 105.19 103.84 3h70 n GLY 264 Ca 0.20 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 3h70 n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h70 s ALA 265 N -2.00 2.67 0.13 4.61 0.00 -0.73 -4.85 121.76 121.59 3h70 s ALA 265 Ca 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 3h70 s ALA 265 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 3h70 s ALA 265 CO 0.00 0.59 0.30 0.15 0.00 0.00 0.00 175.76 176.80 3h70 s LYS 266 N -2.10 3.49 0.02 0.00 1.02 0.43 -3.82 119.74 118.79 3h70 s LYS 266 Ca 0.18 -0.38 0.08 0.00 0.02 0.00 0.00 55.97 55.87 3h70 s LYS 266 Cb -0.11 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 3h70 s LYS 266 CO 0.10 0.52 -0.23 0.08 -0.92 0.00 0.00 175.35 174.89 3h70 s VAL 267 N -1.67 2.34 -0.10 3.17 1.01 -1.26 -1.17 120.40 122.73 3h70 s VAL 267 Ca 0.37 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3h70 s VAL 267 Cb -0.12 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.38 3h70 s VAL 267 CO 0.28 0.43 -0.09 -0.69 0.00 0.00 0.00 175.10 175.02 3h70 s VAL 268 N -0.78 1.08 0.06 2.92 1.01 -0.34 -1.03 120.40 123.32 3h70 s VAL 268 Ca 0.12 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 3h70 s VAL 268 Cb -0.10 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 3h70 s VAL 268 CO 0.02 0.37 0.87 -0.63 0.00 0.00 0.00 175.10 175.72 3h70 s ILE 269 N 1.33 4.68 0.22 2.22 -1.09 -1.26 0.05 121.20 127.35 3h70 s ILE 269 Ca -0.02 1.85 0.00 0.00 -2.23 0.00 0.00 60.65 60.26 3h70 s ILE 269 Cb -0.14 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.48 3h70 s ILE 269 CO -0.04 0.31 0.09 -0.83 -1.23 0.00 0.00 174.94 173.24 3h70 s GLY 270 N 0.17 1.52 0.36 6.18 0.00 0.28 0.16 107.32 115.99 3h70 s GLY 270 Ca 0.44 -1.75 0.02 0.00 0.00 0.00 0.00 44.72 43.43 3h70 s GLY 270 CO 0.26 -1.51 0.09 0.61 0.00 0.00 0.00 173.10 172.55 3h70 n GLY 271 N -0.35 3.47 2.90 0.20 0.00 -1.21 -4.34 105.19 105.86 3h70 n GLY 271 Ca -0.01 -2.16 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 3h70 n GLY 271 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h70 s MET 272 N -3.35 0.38 -1.58 1.61 0.00 -1.26 -4.96 119.30 110.14 3h70 s MET 272 Ca 0.12 0.29 -0.09 0.00 0.00 0.00 0.00 55.69 56.01 3h70 s MET 272 Cb 0.01 -0.40 0.08 0.00 0.00 0.00 0.00 34.83 34.51 3h70 s MET 272 CO 0.09 -0.86 0.52 0.66 0.00 0.00 0.00 175.02 175.42 3h70 n TYR 273 N 5.36 -1.60 -2.66 4.11 4.01 -1.26 -4.92 117.16 120.19 3h70 n TYR 273 Ca -0.01 0.74 -0.32 0.00 -0.16 0.00 0.00 57.90 58.16 3h70 n TYR 273 Cb 0.49 -3.17 -0.04 0.00 -0.31 0.00 0.00 39.34 36.31 3h70 n TYR 273 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3h70 s GLU 274 N -6.87 3.92 0.80 -0.72 2.02 -1.26 -5.05 118.70 111.54 3h70 s GLU 274 Ca 0.35 0.77 -0.04 0.00 0.02 0.00 0.00 54.97 56.08 3h70 s GLU 274 Cb -0.19 -2.25 0.16 0.00 0.10 0.00 0.00 34.13 31.95 3h70 s GLU 274 CO 0.93 -0.13 1.10 0.71 0.02 0.00 0.00 175.26 177.89 3h70 s TYR 275 N -2.44 1.26 0.57 1.61 2.02 -1.26 -4.84 117.35 114.27 3h70 s TYR 275 Ca 0.56 -0.26 0.41 0.00 -0.37 0.00 0.00 57.07 57.42 3h70 s TYR 275 Cb -0.10 -3.26 2.20 0.00 -0.40 0.00 0.00 41.96 40.40 3h70 s TYR 275 CO 0.29 -2.08 2.30 0.78 -1.57 0.00 0.00 175.55 175.27 3h70 h GLY 276 N -0.86 0.00 0.21 0.71 0.00 -1.92 -2.17 103.07 99.04 3h70 h GLY 276 Ca -0.36 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3h70 h GLY 276 CO 0.36 0.00 -0.09 -2.00 0.00 0.00 0.00 176.54 174.81 3h70 h LEU 277 N 0.00 -0.22 -1.34 3.11 5.85 -1.94 -3.07 115.31 117.70 3h70 h LEU 277 Ca -0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3h70 h LEU 277 Cb 0.09 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3h70 h LEU 277 CO 0.00 0.27 0.30 -1.28 -0.34 0.00 0.00 178.44 177.38 3h70 h SER 278 N -1.06 0.66 -0.95 1.25 0.87 -1.89 -2.36 113.55 110.08 3h70 h SER 278 Ca -0.03 -0.05 0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3h70 h SER 278 Cb 0.25 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 61.97 3h70 h SER 278 CO 0.04 0.54 0.61 -0.09 -0.53 0.00 0.00 176.83 177.40 3h70 h ARG 279 N 0.76 1.02 -0.23 2.24 2.43 -1.49 -1.32 114.38 117.78 3h70 h ARG 279 Ca 0.19 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3h70 h ARG 279 Cb 0.02 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 3h70 h ARG 279 CO -0.03 0.68 0.12 -0.92 -1.51 0.00 0.00 179.97 178.31 3h70 h TYR 280 N 1.06 0.23 -0.05 2.20 3.20 -1.32 -1.13 116.97 121.15 3h70 h TYR 280 Ca 0.42 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.18 3h70 h TYR 280 Cb 0.25 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3h70 h TYR 280 CO -0.00 0.13 -0.50 0.74 -1.64 0.00 0.00 178.16 176.89 3h70 h PHE 281 N 0.26 0.16 -0.40 -3.82 0.04 -1.38 0.15 116.94 111.96 3h70 h PHE 281 Ca 0.09 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 3h70 h PHE 281 Cb 0.01 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3h70 h PHE 281 CO -0.09 0.61 -0.06 1.15 -0.60 0.00 0.00 178.31 179.32 3h70 h THR 282 N 0.11 1.27 -0.68 -1.55 2.02 -1.07 -2.40 112.91 110.60 3h70 h THR 282 Ca 0.00 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 65.98 3h70 h THR 282 Cb 0.93 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 3h70 h THR 282 CO 0.07 0.38 0.15 0.00 0.37 0.00 0.00 175.52 176.49 3h70 h ALA 283 N 0.85 0.97 -0.85 6.16 0.00 -0.90 -2.13 119.26 123.36 3h70 h ALA 283 Ca 0.10 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3h70 h ALA 283 Cb 0.57 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3h70 h ALA 283 CO 0.03 0.66 0.53 1.98 0.00 0.00 0.00 179.25 182.46 3h70 h MET 284 N 1.04 0.97 0.00 0.00 -1.53 -0.78 -2.03 114.93 112.59 3h70 h MET 284 Ca 0.21 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.42 3h70 h MET 284 Cb 0.39 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 31.22 3h70 h MET 284 CO 0.01 0.64 0.00 -0.07 0.14 0.00 0.00 176.91 177.62 3h70 h LEU 285 N 1.00 0.00 -0.94 3.39 3.38 -1.15 -3.35 115.31 117.64 3h70 h LEU 285 Ca 0.36 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.57 3h70 h LEU 285 Cb 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.74 3h70 h LEU 285 CO -0.15 0.00 0.46 0.00 0.09 0.00 0.00 178.44 178.84 3h70 h ALA 286 N 2.20 1.58 0.00 1.53 0.00 -0.69 -0.31 119.26 123.57 3h70 h ALA 286 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h70 h ALA 286 Cb 0.81 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3h70 h ALA 286 CO 0.00 -0.35 -0.00 0.07 0.00 0.00 0.00 179.25 178.97 3h70 h ARG 287 N 0.43 0.00 0.00 0.00 0.11 -1.74 -1.55 114.38 111.63 3h70 h ARG 287 Ca 0.60 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.68 3h70 h ARG 287 Cb 1.17 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.25 3h70 h ARG 287 CO -0.53 0.00 -0.01 0.87 0.10 0.00 0.00 179.97 180.40 3h70 h LYS 288 N 0.00 0.00 -7.35 0.08 1.57 -1.33 -3.45 116.57 106.08 3h70 h LYS 288 Ca -0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 3h70 h LYS 288 Cb 0.02 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.44 3h70 h LYS 288 CO 0.00 0.01 0.35 0.20 -0.57 0.00 0.00 179.45 179.44 3h70 s GLY 289 N -4.19 1.65 0.22 3.86 0.00 -0.58 -4.97 107.32 103.32 3h70 s GLY 289 Ca 0.02 0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.85 3h70 s GLY 289 CO 0.56 0.38 1.50 -0.55 0.00 0.00 0.00 173.10 175.00 3h70 h ASP 290 N -0.93 0.04 -2.60 1.64 3.32 -1.40 -3.45 116.42 113.04 3h70 h ASP 290 Ca -0.45 -0.03 -0.57 0.00 0.02 0.00 0.00 57.03 56.00 3h70 h ASP 290 Cb 1.23 -0.01 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 3h70 h ASP 290 CO 0.56 0.76 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.78 3h70 s TYR 291 N -3.35 2.13 0.44 4.55 2.02 -1.15 -4.98 117.35 117.01 3h70 s TYR 291 Ca -0.01 -0.40 -0.24 0.00 -0.37 0.00 0.00 57.07 56.05 3h70 s TYR 291 Cb 0.12 -0.95 -0.10 0.00 -0.40 0.00 0.00 41.96 40.63 3h70 s TYR 291 CO 0.79 0.60 1.17 -0.35 -1.57 0.00 0.00 175.55 176.18 3h70 n PRO 292 N -0.44 1.65 -1.41 -1.71 -0.04 -1.26 -4.69 135.00 127.10 3h70 n PRO 292 Ca -0.07 0.59 -0.32 0.00 -0.04 0.00 0.00 63.50 63.67 3h70 n PRO 292 Cb 0.60 -2.26 0.08 0.00 -0.04 0.00 0.00 33.50 31.88 3h70 n PRO 292 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3h70 s GLY 293 N -0.67 1.83 -1.23 0.55 0.00 -1.26 -4.75 107.32 101.80 3h70 s GLY 293 Ca 0.63 0.37 -0.11 0.00 0.00 0.00 0.00 44.72 45.61 3h70 s GLY 293 CO 0.56 0.71 1.60 1.22 0.00 0.00 0.00 173.10 177.20 3h70 n ASP 294 N -3.17 5.27 -4.68 1.64 9.92 0.12 -4.79 116.55 120.86 3h70 n ASP 294 Ca 0.10 -3.06 -0.36 0.00 -0.53 0.00 0.00 54.79 50.93 3h70 n ASP 294 Cb 0.53 -1.50 -0.09 0.00 -0.64 0.00 0.00 41.12 39.41 3h70 n ASP 294 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3h70 s VAL 295 N 0.62 5.33 0.12 2.53 1.01 -1.26 -3.35 120.40 125.40 3h70 s VAL 295 Ca 0.40 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 3h70 s VAL 295 Cb 0.02 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 3h70 s VAL 295 CO 0.00 0.39 0.93 -0.89 0.00 0.00 0.00 175.10 175.53 3h70 s THR 296 N 0.77 4.46 0.63 3.92 2.01 -1.26 -4.62 115.64 121.55 3h70 s THR 296 Ca 0.07 2.01 -0.16 0.00 0.31 0.00 0.00 61.69 63.92 3h70 s THR 296 Cb -0.13 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 3h70 s THR 296 CO 0.02 0.36 1.10 -2.84 -0.69 0.00 0.00 174.62 172.56 3h70 s PRO 297 N -0.22 3.00 0.37 4.92 0.02 -1.26 -4.93 135.00 136.90 3h70 s PRO 297 Ca 0.45 1.36 -0.28 0.00 0.02 0.00 0.00 61.00 62.55 3h70 s PRO 297 Cb -0.23 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.20 3h70 s PRO 297 CO 0.29 -1.09 1.47 0.00 -0.33 0.00 0.00 177.00 177.34 3h70 s ALA 298 N -2.31 3.57 0.00 -1.55 0.00 0.01 -2.37 121.76 119.10 3h70 s ALA 298 Ca 0.67 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.18 3h70 s ALA 298 Cb -0.20 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3h70 s ALA 298 CO 0.39 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3h70 n GLY 299 N 0.48 1.17 0.23 0.00 0.00 -1.26 -4.87 105.19 100.94 3h70 n GLY 299 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 3h70 n GLY 299 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3h70 h TYR 300 N 0.00 0.72 0.00 1.61 3.20 -1.85 -3.35 116.97 117.29 3h70 h TYR 300 Ca 0.00 -0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.57 3h70 h TYR 300 Cb 0.00 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 37.98 3h70 h TYR 300 CO 0.00 0.51 -2.11 0.66 -1.64 0.00 0.00 178.16 175.58 3h70 n TYR 301 N -4.65 0.00 -5.18 -3.82 4.01 -1.26 -4.82 117.16 101.45 3h70 n TYR 301 Ca 0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.47 3h70 n TYR 301 Cb 0.07 -0.76 -0.16 0.00 -0.31 0.00 0.00 39.34 38.17 3h70 n TYR 301 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3h70 s PHE 302 N -2.39 2.24 0.09 -0.72 0.08 -1.26 -0.75 117.98 115.26 3h70 s PHE 302 Ca -0.22 -0.59 -0.15 0.00 0.12 0.00 0.00 56.93 56.09 3h70 s PHE 302 Cb 0.06 -1.46 -0.12 0.00 -0.57 0.00 0.00 43.02 40.92 3h70 s PHE 302 CO 0.50 -0.16 1.35 1.49 -0.10 0.00 0.00 175.22 178.30 3h70 h GLU 303 N 5.94 0.70 -6.12 0.44 4.57 -1.84 -3.37 114.58 114.89 3h70 h GLU 303 Ca -0.35 -0.46 -0.68 0.00 -1.18 0.00 0.00 59.36 56.69 3h70 h GLU 303 Cb 1.16 0.06 -0.22 0.00 -0.16 0.00 0.00 28.75 29.59 3h70 h GLU 303 CO 0.47 1.08 -0.74 -1.14 -1.18 0.00 0.00 179.01 177.51 3h70 s GLN 304 N -4.04 2.72 0.20 1.92 2.00 -1.26 -4.99 119.66 116.22 3h70 s GLN 304 Ca -0.12 -0.63 0.06 0.00 -2.00 0.00 0.00 55.36 52.67 3h70 s GLN 304 Cb 0.08 -2.50 -0.05 0.00 0.80 0.00 0.00 33.01 31.34 3h70 s GLN 304 CO 0.85 0.59 -0.10 0.34 -0.50 0.00 0.00 175.29 176.47 3h70 s ASP 305 N -0.62 2.22 0.29 6.67 -1.08 -1.26 -4.94 116.67 117.96 3h70 s ASP 305 Ca 0.09 -1.06 0.16 0.00 -0.52 0.00 0.00 52.55 51.21 3h70 s ASP 305 Cb -0.11 -0.08 0.09 0.00 -1.46 0.00 0.00 42.92 41.36 3h70 s ASP 305 CO 0.01 -0.29 1.46 -0.37 0.52 0.00 0.00 175.17 176.50 3h70 h VAL 306 N 2.59 0.79 -3.48 1.11 -1.51 -1.97 -3.41 116.25 110.38 3h70 h VAL 306 Ca -0.38 -2.12 -0.58 0.00 -1.23 0.00 0.00 66.70 62.39 3h70 h VAL 306 Cb 1.21 2.39 -0.38 0.00 -2.13 0.00 0.00 31.29 32.38 3h70 h VAL 306 CO 0.63 0.45 -0.78 -0.69 -1.23 0.00 0.00 177.57 175.95 3h70 s VAL 307 N -2.98 1.25 0.55 7.19 1.01 -1.26 -0.65 120.40 125.51 3h70 s VAL 307 Ca 0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 3h70 s VAL 307 Cb 0.07 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3h70 s VAL 307 CO 0.74 -0.05 0.93 0.00 0.00 0.00 0.00 175.10 176.72 3h70 s ALA 308 N 1.54 3.21 -1.48 5.51 0.00 -1.26 -4.14 121.76 125.13 3h70 s ALA 308 Ca -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 3h70 s ALA 308 Cb -0.18 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3h70 s ALA 308 CO -0.07 -0.49 0.04 0.72 0.00 0.00 0.00 175.76 175.96 3h70 n HIS 309 N -2.38 -1.23 -3.19 0.00 8.25 -1.26 -4.92 115.22 110.49 3h70 n HIS 309 Ca 0.04 0.04 -0.46 0.00 -0.26 0.00 0.00 57.72 57.08 3h70 n HIS 309 Cb 0.54 -3.51 -0.02 0.00 1.12 0.00 0.00 29.99 28.12 3h70 n HIS 309 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h70 s SER 310 N -2.09 6.66 0.00 0.41 0.15 -1.26 -4.21 113.70 113.37 3h70 s SER 310 Ca 0.02 -2.38 0.00 0.00 0.70 0.00 0.00 55.95 54.29 3h70 s SER 310 Cb -0.01 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 3h70 s SER 310 CO 0.03 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.31 3h70 n GLY 311 N 4.56 0.65 3.70 9.45 0.00 -0.11 -3.90 105.19 119.55 3h70 n GLY 311 Ca 0.14 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3h70 n GLY 311 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h70 s ILE 312 N -1.60 4.19 -0.11 -0.61 -1.09 -0.60 -0.81 121.20 120.57 3h70 s ILE 312 Ca 0.00 1.55 -0.30 0.00 -2.23 0.00 0.00 60.65 59.68 3h70 s ILE 312 Cb 0.00 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 3h70 s ILE 312 CO 0.00 0.08 1.32 -0.22 -1.23 0.00 0.00 174.94 174.89 3h70 s LEU 313 N 1.45 4.23 -0.12 2.97 2.96 -1.26 -0.73 118.68 128.19 3h70 s LEU 313 Ca 0.57 1.84 -0.04 0.00 -0.22 0.00 0.00 54.13 56.28 3h70 s LEU 313 Cb -0.27 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 42.92 3h70 s LEU 313 CO 0.27 -0.75 0.08 -0.54 -1.32 0.00 0.00 176.35 174.09 3h70 s LYS 314 N 3.20 0.01 -1.26 1.98 1.02 0.65 -4.93 119.74 120.40 3h70 s LYS 314 Ca 0.59 0.12 -0.19 0.00 0.02 0.00 0.00 55.97 56.50 3h70 s LYS 314 Cb -0.25 -1.27 0.01 0.00 -0.52 0.00 0.00 37.83 35.81 3h70 s LYS 314 CO 0.19 -0.53 0.60 0.39 -0.92 0.00 0.00 175.35 175.08 3h70 n GLU 315 N 5.29 -1.28 -1.00 1.68 1.02 -1.26 -1.99 120.64 123.10 3h70 n GLU 315 Ca -0.05 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3h70 n GLU 315 Cb 0.49 -3.61 0.00 0.00 -0.02 0.00 0.00 31.44 28.30 3h70 n GLU 315 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h70 n GLY 316 N -1.98 0.89 3.07 0.62 0.00 -1.25 -5.02 105.19 101.53 3h70 n GLY 316 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 3h70 n GLY 316 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h70 s ARG 317 N -0.01 0.55 -0.25 1.61 0.52 -0.84 -1.63 118.95 118.90 3h70 s ARG 317 Ca 0.00 -0.80 -0.14 0.00 -0.52 0.00 0.00 55.73 54.28 3h70 s ARG 317 Cb 0.00 -0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.13 3h70 s ARG 317 CO 0.00 0.05 0.31 -0.51 0.02 0.00 0.00 175.30 175.16 3h70 s LEU 318 N -1.68 4.07 -0.17 2.53 1.43 0.06 -0.25 118.68 124.67 3h70 s LEU 318 Ca -0.08 0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 3h70 s LEU 318 Cb -0.09 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 3h70 s LEU 318 CO 0.00 -0.09 0.35 -1.61 0.23 0.00 0.00 176.35 175.22 3h70 s GLU 319 N 1.69 4.24 0.01 1.70 0.41 0.09 -1.56 118.70 125.29 3h70 s GLU 319 Ca 0.13 0.17 0.08 0.00 -0.41 0.00 0.00 54.97 54.93 3h70 s GLU 319 Cb -0.15 -3.46 -0.03 0.00 -1.78 0.00 0.00 34.13 28.71 3h70 s GLU 319 CO 0.09 0.14 -0.23 -0.06 -0.49 0.00 0.00 175.26 174.70 3h70 s PHE 320 N 0.76 2.42 0.24 1.61 0.08 0.94 -0.93 117.98 123.11 3h70 s PHE 320 Ca 0.18 -0.36 0.11 0.00 0.12 0.00 0.00 56.93 56.98 3h70 s PHE 320 Cb -0.14 -1.48 -0.05 0.00 -0.57 0.00 0.00 43.02 40.79 3h70 s PHE 320 CO 0.06 0.09 -0.20 -0.98 -0.10 0.00 0.00 175.22 174.09 3h70 s ARG 321 N -0.95 1.57 0.03 0.44 1.70 -1.26 -1.76 118.95 118.71 3h70 s ARG 321 Ca 0.11 -1.67 -0.36 0.00 -0.47 0.00 0.00 55.73 53.35 3h70 s ARG 321 Cb -0.10 -1.66 -0.14 0.00 -0.57 0.00 0.00 34.95 32.48 3h70 s ARG 321 CO 0.01 0.32 1.59 -2.30 -1.08 0.00 0.00 175.30 173.84 3h70 n PRO 322 N -0.34 1.73 -2.20 3.89 -0.02 -1.26 -4.83 135.00 131.96 3h70 n PRO 322 Ca -0.08 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.61 3h70 n PRO 322 Cb 0.59 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 3h70 n PRO 322 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h70 s PRO 323 N 1.78 4.19 -0.30 0.52 0.04 -1.26 -5.00 135.00 134.97 3h70 s PRO 323 Ca 0.86 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.85 3h70 s PRO 323 Cb -0.81 -3.89 0.08 0.00 0.04 0.00 0.00 34.50 29.92 3h70 s PRO 323 CO 0.47 -0.80 -0.03 -0.51 0.04 0.00 0.00 177.00 176.17 3h70 s LEU 324 N 3.83 4.03 0.30 -3.56 1.43 -1.26 -5.07 118.68 118.39 3h70 s LEU 324 Ca 0.65 -1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 51.74 3h70 s LEU 324 Cb -0.28 -1.60 -0.11 0.00 0.03 0.00 0.00 46.19 44.24 3h70 s LEU 324 CO 0.23 -0.28 1.55 -0.69 0.23 0.00 0.00 176.35 177.39 3h70 s VAL 325 N 1.03 2.16 -0.61 -1.59 1.01 -1.26 -4.65 120.40 116.49 3h70 s VAL 325 Ca -0.01 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 3h70 s VAL 325 Cb -0.20 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.16 3h70 s VAL 325 CO -0.06 0.03 0.89 -0.62 0.00 0.00 0.00 175.10 175.33 3h70 s ASP 326 N 0.34 6.21 0.58 3.32 -1.08 0.17 -4.91 116.67 121.31 3h70 s ASP 326 Ca 0.61 -0.93 0.27 0.00 -0.52 0.00 0.00 52.55 51.98 3h70 s ASP 326 Cb -0.47 -2.39 1.67 0.00 -1.46 0.00 0.00 42.92 40.28 3h70 s ASP 326 CO 0.50 -1.30 2.18 0.16 0.52 0.00 0.00 175.17 177.23 3h70 h ILE 327 N 5.96 0.58 0.00 4.11 -0.00 -1.92 -1.38 117.51 124.86 3h70 h ILE 327 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.58 3h70 h ILE 327 Cb 1.08 0.94 0.00 0.00 -0.00 0.00 0.00 36.82 38.83 3h70 h ILE 327 CO 1.13 0.00 0.00 0.71 -0.00 0.00 0.00 178.15 179.99 3h70 h THR 328 N 0.00 0.00 0.00 0.16 1.35 -1.98 -2.47 112.91 109.97 3h70 h THR 328 Ca 0.04 -0.27 -0.07 0.00 -0.55 0.00 0.00 66.41 65.56 3h70 h THR 328 Cb 0.20 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3h70 h THR 328 CO -0.00 0.00 -0.70 1.56 -0.25 0.00 0.00 175.52 176.13 3h70 h GLN 329 N 0.00 0.00 -6.83 4.72 1.08 -1.63 -3.46 115.11 108.99 3h70 h GLN 329 Ca 0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 3h70 h GLN 329 Cb 0.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3h70 h GLN 329 CO 0.00 0.22 0.14 -0.51 -0.95 0.00 0.00 178.83 177.74 3h70 s LEU 330 N -6.01 3.94 0.02 1.46 1.43 -0.93 -4.87 118.68 113.72 3h70 s LEU 330 Ca 0.02 1.28 0.06 0.00 -1.03 0.00 0.00 54.13 54.46 3h70 s LEU 330 Cb 0.08 -4.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.15 3h70 s LEU 330 CO 0.75 -0.31 -0.17 -1.10 0.23 0.00 0.00 176.35 175.75 3h70 s GLN 331 N -3.37 1.22 0.32 1.70 -1.52 -0.96 -4.96 119.66 112.09 3h70 s GLN 331 Ca 0.54 -0.72 -0.29 0.00 -1.95 0.00 0.00 55.36 52.94 3h70 s GLN 331 Cb -0.10 -1.24 -0.12 0.00 -0.22 0.00 0.00 33.01 31.33 3h70 s GLN 331 CO 0.23 0.32 1.33 -2.30 -0.25 0.00 0.00 175.29 174.62 3h70 n PRO 332 N 2.24 2.15 -0.21 2.91 -0.02 -1.26 -0.25 135.00 140.56 3h70 n PRO 332 Ca -0.16 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 3h70 n PRO 332 Cb 0.54 -2.36 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 3h70 n PRO 332 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3h70 h TYR 333 N 2.97 1.18 -3.62 6.00 3.20 -1.54 -3.41 116.97 121.76 3h70 h TYR 333 Ca -0.46 -0.21 -0.15 0.00 3.14 0.00 0.00 58.73 61.05 3h70 h TYR 333 Cb 1.28 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 39.20 3h70 h TYR 333 CO 0.52 1.05 0.01 -1.83 -1.64 0.00 0.00 178.16 176.26 3h70 s GLU 334 N -4.99 2.00 0.18 1.82 -1.05 -1.26 -4.94 118.70 110.45 3h70 s GLU 334 Ca -0.12 -1.57 0.00 0.00 -0.15 0.00 0.00 54.97 53.13 3h70 s GLU 334 Cb 0.14 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.35 3h70 s GLU 334 CO 0.86 -0.88 0.00 0.41 0.95 0.00 0.00 175.26 176.60 3h70 n GLY 335 N -0.53 -2.82 0.38 -3.83 0.00 -1.26 -4.17 105.19 92.95 3h70 n GLY 335 Ca -0.03 -1.84 0.20 0.00 0.00 0.00 0.00 46.02 44.35 3h70 n GLY 335 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3h70 h HIS 336 N 0.00 0.00 -0.25 1.61 3.86 -2.01 -1.39 115.15 116.97 3h70 h HIS 336 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h70 h HIS 336 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3h70 h HIS 336 CO 0.00 0.00 0.00 0.72 0.86 0.00 0.00 177.93 179.51 3h70 n HIS 337 N -4.17 0.32 -3.07 2.45 8.25 -1.26 -4.73 115.22 113.01 3h70 n HIS 337 Ca 0.08 -0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 56.96 3h70 n HIS 337 Cb 0.58 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 3h70 n HIS 337 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3h70 s HIS 338 N -1.68 3.09 0.29 4.41 5.04 -0.53 -4.42 115.29 121.49 3h70 s HIS 338 Ca 0.34 0.21 0.10 0.00 -1.54 0.00 0.00 55.06 54.17 3h70 s HIS 338 Cb 0.19 -3.32 -0.05 0.00 0.04 0.00 0.00 32.58 29.44 3h70 s HIS 338 CO 0.28 -0.78 -0.02 -1.01 -2.34 0.00 0.00 174.74 170.87 3h70 s HIS 339 N 2.89 2.59 0.05 3.88 3.76 -1.26 -4.86 115.29 122.34 3h70 s HIS 339 Ca 0.25 -0.30 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 3h70 s HIS 339 Cb -0.14 -1.26 -0.03 0.00 1.11 0.00 0.00 32.58 32.26 3h70 s HIS 339 CO 0.18 0.58 -0.05 -3.38 -0.85 0.00 0.00 174.74 171.22 3h70 s HIS 340 N -2.41 0.61 0.00 1.40 -3.43 -1.26 -5.08 115.29 105.12 3h70 s HIS 340 Ca 0.32 -0.74 0.00 0.00 -0.80 0.00 0.00 55.06 53.84 3h70 s HIS 340 Cb -0.04 -0.38 0.00 0.00 -1.43 0.00 0.00 32.58 30.72 3h70 s HIS 340 CO 0.19 -0.19 0.08 0.72 -2.00 0.00 0.00 174.74 173.54