#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h54 s LYS 2 N 0.00 2.01 -0.42 0.03 2.20 -1.25 -5.04 119.74 117.27 1h54 s LYS 2 Ca 0.00 -0.65 -0.18 0.00 -0.36 0.00 0.00 55.97 54.78 1h54 s LYS 2 Cb 0.00 -1.69 0.02 0.00 -1.51 0.00 0.00 37.83 34.65 1h54 s LYS 2 CO 0.00 0.22 0.47 0.50 -0.36 0.00 0.00 175.35 176.18 1h54 s ARG 3 N 0.13 3.16 0.00 4.03 3.52 -1.26 -4.48 118.95 124.05 1h54 s ARG 3 Ca -0.07 -0.67 0.24 0.00 -0.13 0.00 0.00 55.73 55.10 1h54 s ARG 3 Cb -0.13 -3.95 0.27 0.00 -1.56 0.00 0.00 34.95 29.58 1h54 s ARG 3 CO 0.03 -0.85 1.26 0.44 -0.81 0.00 0.00 175.30 175.37 1h54 n ILE 4 N 5.49 0.00 -4.41 4.11 -5.35 -1.26 -4.94 119.36 113.00 1h54 n ILE 4 Ca -0.06 -0.22 -0.29 0.00 -0.27 0.00 0.00 62.75 61.90 1h54 n ILE 4 Cb 0.48 0.96 -0.12 0.00 -1.74 0.00 0.00 39.64 39.21 1h54 n ILE 4 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1h54 s PHE 5 N -2.47 2.42 0.80 4.28 0.40 -1.26 -4.79 117.98 117.35 1h54 s PHE 5 Ca 0.21 -0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 56.10 1h54 s PHE 5 Cb 0.19 -1.31 0.07 0.00 0.51 0.00 0.00 43.02 42.48 1h54 s PHE 5 CO 0.55 0.34 1.09 -1.21 0.70 0.00 0.00 175.22 176.69 1h54 s GLU 6 N -2.00 2.06 -0.48 0.44 2.02 0.82 -4.95 118.70 116.61 1h54 s GLU 6 Ca 0.15 1.11 -0.18 0.00 0.02 0.00 0.00 54.97 56.07 1h54 s GLU 6 Cb -0.10 -1.88 0.05 0.00 0.10 0.00 0.00 34.13 32.30 1h54 s GLU 6 CO 0.07 -1.76 0.55 0.08 0.02 0.00 0.00 175.26 174.22 1h54 s VAL 7 N -2.91 4.98 0.08 2.63 1.01 -1.26 -4.34 120.40 120.59 1h54 s VAL 7 Ca 0.62 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1h54 s VAL 7 Cb -0.17 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1h54 s VAL 7 CO 0.56 -0.66 -0.14 -1.10 0.00 0.00 0.00 175.10 173.76 1h54 s GLN 8 N 2.37 0.86 0.13 2.72 -1.52 -1.25 -5.01 119.66 117.96 1h54 s GLN 8 Ca 0.13 -1.03 -0.20 0.00 -1.95 0.00 0.00 55.36 52.31 1h54 s GLN 8 Cb -0.19 -0.80 -0.03 0.00 -0.22 0.00 0.00 33.01 31.78 1h54 s GLN 8 CO 0.12 0.17 1.71 -1.35 -0.25 0.00 0.00 175.29 175.69 1h54 h PRO 9 N 4.05 0.04 -0.03 2.91 0.11 -1.92 -3.32 132.00 133.84 1h54 h PRO 9 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1h54 h PRO 9 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1h54 h PRO 9 CO 0.44 0.03 0.00 0.91 -0.21 0.00 0.00 178.00 179.16 1h54 n TRP 10 N -5.16 0.04 -4.13 0.65 7.02 -1.26 -4.49 117.44 110.11 1h54 n TRP 10 Ca -0.02 -0.39 -0.15 0.00 -1.02 0.00 0.00 57.50 55.92 1h54 n TRP 10 Cb 0.12 -0.04 -0.13 0.00 -2.42 0.00 0.00 31.31 28.84 1h54 n TRP 10 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1h54 s ASN 11 N -0.80 0.77 -0.63 -0.99 0.01 -1.25 -1.36 114.94 110.70 1h54 s ASN 11 Ca 0.02 -0.31 -0.03 0.00 -0.71 0.00 0.00 52.86 51.83 1h54 s ASN 11 Cb 0.01 -0.03 0.16 0.00 0.41 0.00 0.00 41.25 41.81 1h54 s ASN 11 CO 0.02 -0.05 0.45 -0.69 -1.51 0.00 0.00 177.10 175.31 1h54 s VAL 12 N -0.70 3.75 0.11 1.60 1.01 -0.62 -3.75 120.40 121.81 1h54 s VAL 12 Ca -0.03 -2.96 0.08 0.00 0.00 0.00 0.00 61.98 59.06 1h54 s VAL 12 Cb -0.06 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1h54 s VAL 12 CO 0.00 -0.88 -0.19 -0.51 0.00 0.00 0.00 175.10 173.52 1h54 s ILE 13 N -0.07 1.60 0.02 2.22 2.07 -1.26 -1.27 121.20 124.51 1h54 s ILE 13 Ca 0.17 -1.58 -0.12 0.00 -1.41 0.00 0.00 60.65 57.71 1h54 s ILE 13 Cb -0.20 -1.52 0.01 0.00 0.13 0.00 0.00 42.46 40.88 1h54 s ILE 13 CO -0.04 -0.16 0.25 0.28 -1.91 0.00 0.00 174.94 173.36 1h54 s THR 14 N -1.41 0.08 -0.16 4.00 -1.32 -0.37 -0.13 115.64 116.33 1h54 s THR 14 Ca 0.07 -0.69 0.15 0.00 -1.21 0.00 0.00 61.69 60.00 1h54 s THR 14 Cb -0.09 -0.77 0.29 0.00 -1.51 0.00 0.00 72.50 70.42 1h54 s THR 14 CO 0.04 -0.38 1.18 1.41 -2.21 0.00 0.00 174.62 174.66 1h54 n HIS 15 N 0.93 0.21 -5.21 9.09 8.25 -1.26 -1.32 115.22 125.91 1h54 n HIS 15 Ca -0.20 -0.86 -0.31 0.00 -0.26 0.00 0.00 57.72 56.09 1h54 n HIS 15 Cb 0.58 -0.16 -0.17 0.00 1.12 0.00 0.00 29.99 31.36 1h54 n HIS 15 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1h54 s THR 16 N -2.43 2.00 -0.22 1.59 2.01 -1.26 -4.35 115.64 112.98 1h54 s THR 16 Ca 0.28 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1h54 s THR 16 Cb 0.23 -1.71 0.05 0.00 0.01 0.00 0.00 72.50 71.08 1h54 s THR 16 CO 0.04 0.55 -0.11 0.12 -0.69 0.00 0.00 174.62 174.54 1h54 s PHE 17 N 0.08 2.69 -0.22 4.92 5.36 -1.26 -4.99 117.98 124.56 1h54 s PHE 17 Ca -0.10 -1.83 0.01 0.00 -0.96 0.00 0.00 56.93 54.05 1h54 s PHE 17 Cb -0.15 -1.74 0.05 0.00 -0.34 0.00 0.00 43.02 40.83 1h54 s PHE 17 CO 0.06 -0.79 -0.10 0.34 -1.46 0.00 0.00 175.22 173.26 1h54 s ASP 18 N 1.30 3.76 0.61 6.13 -1.08 -1.26 -4.99 116.67 121.14 1h54 s ASP 18 Ca -0.03 -1.07 0.27 0.00 -0.52 0.00 0.00 52.55 51.20 1h54 s ASP 18 Cb -0.17 -1.32 1.33 0.00 -1.46 0.00 0.00 42.92 41.30 1h54 s ASP 18 CO -0.08 -0.17 1.75 1.55 0.52 0.00 0.00 175.17 178.75 1h54 h PRO 19 N 7.91 0.00 0.00 4.34 0.13 -1.98 0.13 132.00 142.54 1h54 h PRO 19 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1h54 h PRO 19 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1h54 h PRO 19 CO 0.47 0.00 -0.19 0.87 -0.23 0.00 0.00 178.00 178.92 1h54 h LYS 20 N 0.00 0.00 -0.69 0.86 1.57 -1.96 -2.36 116.57 113.99 1h54 h LYS 20 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1h54 h LYS 20 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1h54 h LYS 20 CO -0.00 0.19 0.00 -0.25 -0.57 0.00 0.00 179.45 178.82 1h54 n ASP 21 N -4.23 4.25 -0.15 0.86 8.00 0.45 -4.70 116.55 121.04 1h54 n ASP 21 Ca -0.02 -2.21 -0.10 0.00 0.71 0.00 0.00 54.79 53.17 1h54 n ASP 21 Cb 0.26 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 1h54 n ASP 21 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1h54 h LYS 22 N 4.12 -0.28 -0.86 -1.24 1.63 -1.45 0.67 116.57 119.16 1h54 h LYS 22 Ca 0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1h54 h LYS 22 Cb 1.19 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.84 1h54 h LYS 22 CO 0.11 -0.19 0.51 0.00 -3.45 0.00 0.00 179.45 176.43 1h54 h ARG 23 N -0.29 1.17 -0.64 1.90 3.08 -1.84 -0.87 114.38 116.89 1h54 h ARG 23 Ca 0.15 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 1h54 h ARG 23 Cb 0.58 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1h54 h ARG 23 CO -0.61 0.82 0.16 1.25 -1.07 0.00 0.00 179.97 180.52 1h54 h LEU 24 N 1.18 0.96 -0.41 3.04 5.85 -1.58 -1.98 115.31 122.37 1h54 h LEU 24 Ca 0.31 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1h54 h LEU 24 Cb -0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1h54 h LEU 24 CO -0.06 0.93 0.18 1.56 -0.34 0.00 0.00 178.44 180.72 1h54 h GLN 25 N 0.93 0.60 -0.63 1.25 4.20 -0.26 -2.65 115.11 118.56 1h54 h GLN 25 Ca 0.20 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.84 1h54 h GLN 25 Cb 0.34 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 1h54 h GLN 25 CO 0.00 0.55 0.39 0.93 -0.67 0.00 0.00 178.83 180.03 1h54 h GLU 26 N 0.52 0.74 -0.41 1.46 5.08 -0.94 -1.73 114.58 119.29 1h54 h GLU 26 Ca 0.14 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1h54 h GLU 26 Cb 0.16 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1h54 h GLU 26 CO -0.01 0.49 0.19 0.77 -1.00 0.00 0.00 179.01 179.45 1h54 h SER 27 N 0.76 0.53 0.36 1.42 0.02 -1.27 0.68 113.55 116.05 1h54 h SER 27 Ca 0.25 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1h54 h SER 27 Cb 0.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1h54 h SER 27 CO -0.10 0.51 -0.34 -0.03 -1.14 0.00 0.00 176.83 175.73 1h54 h MET 28 N 0.52 0.00 -0.88 3.45 4.05 -1.17 -3.03 114.93 117.86 1h54 h MET 28 Ca 0.14 0.00 -0.42 0.00 -0.28 0.00 0.00 59.70 59.14 1h54 h MET 28 Cb 0.12 0.00 -0.25 0.00 -0.80 0.00 0.00 31.60 30.67 1h54 h MET 28 CO -0.02 0.34 0.51 0.25 0.23 0.00 0.00 176.91 178.22 1h54 n THR 29 N -4.10 3.09 -2.35 -0.77 -2.24 -0.68 -4.98 114.28 102.25 1h54 n THR 29 Ca -0.02 -1.94 -0.36 0.00 -2.27 0.00 0.00 64.05 59.46 1h54 n THR 29 Cb 0.38 -0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 1h54 n THR 29 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1h54 s SER 30 N -1.37 6.12 0.26 3.42 0.01 -1.15 -3.77 113.70 117.22 1h54 s SER 30 Ca 0.55 2.15 0.08 0.00 1.31 0.00 0.00 55.95 60.05 1h54 s SER 30 Cb 0.46 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 64.06 1h54 s SER 30 CO 0.10 -0.95 -0.12 -0.76 0.41 0.00 0.00 173.24 171.93 1h54 s LEU 31 N -3.34 2.55 -0.21 2.44 1.43 -0.39 -4.95 118.68 116.22 1h54 s LEU 31 Ca 0.67 -1.11 -0.31 0.00 -1.03 0.00 0.00 54.13 52.35 1h54 s LEU 31 Cb -0.24 -0.77 0.15 0.00 0.03 0.00 0.00 46.19 45.37 1h54 s LEU 31 CO 0.28 -0.20 1.17 -0.83 0.23 0.00 0.00 176.35 177.00 1h54 s GLY 32 N -3.43 -0.15 -0.09 -3.19 0.00 -1.26 -1.30 107.32 97.90 1h54 s GLY 32 Ca 0.28 2.21 0.14 0.00 0.00 0.00 0.00 44.72 47.35 1h54 s GLY 32 CO 0.11 0.93 1.14 1.16 0.00 0.00 0.00 173.10 176.45 1h54 n ASN 33 N 0.45 1.26 0.00 1.64 2.04 -0.52 -4.48 115.26 115.65 1h54 n ASN 33 Ca -0.04 -2.76 0.00 0.00 -0.44 0.00 0.00 54.58 51.34 1h54 n ASN 33 Cb 0.58 -0.37 0.00 0.00 -2.53 0.00 0.00 39.78 37.47 1h54 n ASN 33 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1h54 n GLY 34 N -0.48 2.68 0.13 4.83 0.00 -0.34 -4.63 105.19 107.38 1h54 n GLY 34 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1h54 n GLY 34 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1h54 n TYR 35 N -0.71 0.90 -3.97 1.61 9.36 -1.26 -4.78 117.16 118.32 1h54 n TYR 35 Ca 0.00 0.23 -0.10 0.00 3.32 0.00 0.00 57.90 61.35 1h54 n TYR 35 Cb 0.00 -1.11 -0.03 0.00 -0.63 0.00 0.00 39.34 37.56 1h54 n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1h54 s MET 36 N -2.52 1.75 0.13 2.98 0.23 -1.26 -0.64 119.30 119.97 1h54 s MET 36 Ca -0.27 -1.33 -0.25 0.00 -1.03 0.00 0.00 55.69 52.81 1h54 s MET 36 Cb 0.07 0.51 0.08 0.00 -1.53 0.00 0.00 34.83 33.96 1h54 s MET 36 CO 0.69 -0.76 1.06 0.20 -2.03 0.00 0.00 175.02 174.18 1h54 s GLY 37 N -3.05 -0.15 0.01 3.16 0.00 -0.31 -1.44 107.32 105.54 1h54 s GLY 37 Ca 0.21 0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.73 1h54 s GLY 37 CO 0.11 1.01 0.80 -3.16 0.00 0.00 0.00 173.10 171.86 1h54 s MET 38 N -2.72 0.94 0.92 2.90 0.23 -0.42 -0.70 119.30 120.45 1h54 s MET 38 Ca 0.16 -0.21 -0.12 0.00 -1.03 0.00 0.00 55.69 54.49 1h54 s MET 38 Cb -0.01 0.44 0.14 0.00 -1.53 0.00 0.00 34.83 33.87 1h54 s MET 38 CO 0.02 -0.38 1.10 1.03 -2.03 0.00 0.00 175.02 174.76 1h54 s ARG 39 N -2.75 1.04 -0.12 3.16 0.52 -0.27 -1.26 118.95 119.28 1h54 s ARG 39 Ca 0.01 0.58 -0.06 0.00 -0.52 0.00 0.00 55.73 55.74 1h54 s ARG 39 Cb -0.01 -1.80 -0.25 0.00 0.52 0.00 0.00 34.95 33.41 1h54 s ARG 39 CO -0.06 -2.33 3.52 0.41 0.02 0.00 0.00 175.30 176.86 1h54 n GLY 40 N -1.45 3.05 3.76 -3.53 0.00 0.22 -4.76 105.19 102.48 1h54 n GLY 40 Ca 0.06 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 1h54 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h54 s ASP 41 N 2.03 5.76 -0.33 1.61 1.01 -1.26 -4.65 116.67 120.84 1h54 s ASP 41 Ca 0.66 2.37 -0.28 0.00 0.71 0.00 0.00 52.55 56.01 1h54 s ASP 41 Cb 0.30 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.65 1h54 s ASP 41 CO -0.00 -1.20 1.01 -0.36 0.21 0.00 0.00 175.17 174.82 1h54 s PHE 42 N -1.56 3.14 0.52 4.23 2.99 -1.26 -4.93 117.98 121.11 1h54 s PHE 42 Ca 0.69 1.06 0.22 0.00 0.00 0.00 0.00 56.93 58.90 1h54 s PHE 42 Cb -0.30 -3.62 1.43 0.00 0.00 0.00 0.00 43.02 40.53 1h54 s PHE 42 CO 0.35 -0.75 2.15 1.05 -0.00 0.00 0.00 175.22 178.02 1h54 h GLU 43 N 8.17 0.00 0.00 0.44 9.09 -1.91 -2.23 114.58 128.14 1h54 h GLU 43 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 1h54 h GLU 43 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1h54 h GLU 43 CO 1.00 0.05 0.00 -0.85 0.05 0.00 0.00 179.01 179.26 1h54 n GLU 44 N -4.17 0.14 0.00 1.06 0.00 -1.24 -0.68 120.64 115.75 1h54 n GLU 44 Ca -0.03 0.29 0.00 0.00 0.00 0.00 0.00 57.16 57.42 1h54 n GLU 44 Cb 0.13 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 29.85 1h54 n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1h54 n GLY 45 N 0.46 2.70 3.59 -1.84 0.00 -0.84 -4.18 105.19 105.08 1h54 n GLY 45 Ca 0.04 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.19 1h54 n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1h54 s TYR 46 N -2.51 -1.22 -2.28 1.61 5.04 -1.26 -4.54 117.35 112.19 1h54 s TYR 46 Ca 0.00 2.17 0.28 0.00 -2.44 0.00 0.00 57.07 57.08 1h54 s TYR 46 Cb 0.00 0.70 1.05 0.00 0.35 0.00 0.00 41.96 44.06 1h54 s TYR 46 CO 0.00 -0.62 1.74 -1.13 -1.34 0.00 0.00 175.55 174.20 1h54 n SER 47 N 5.27 1.27 -3.71 4.32 3.41 -1.26 -4.93 113.62 118.00 1h54 n SER 47 Ca -0.13 -1.30 -0.16 0.00 -0.26 0.00 0.00 58.87 57.02 1h54 n SER 47 Cb 0.50 0.02 0.09 0.00 -0.26 0.00 0.00 64.21 64.56 1h54 n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h54 n GLY 48 N 1.20 0.53 3.68 5.00 0.00 -1.26 -5.00 105.19 109.35 1h54 n GLY 48 Ca 0.18 -1.98 -0.46 0.00 0.00 0.00 0.00 46.02 43.75 1h54 n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h54 n ASP 49 N -2.98 3.32 -3.52 1.61 2.03 -1.26 -4.94 116.55 110.80 1h54 n ASP 49 Ca 0.11 1.04 -0.09 0.00 0.52 0.00 0.00 54.79 56.37 1h54 n ASP 49 Cb 0.40 -1.42 -0.03 0.00 -0.72 0.00 0.00 41.12 39.35 1h54 n ASP 49 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1h54 s SER 50 N 2.07 -0.37 -0.31 1.67 0.15 -1.26 -4.62 113.70 111.03 1h54 s SER 50 Ca 0.83 0.10 -0.02 0.00 0.70 0.00 0.00 55.95 57.56 1h54 s SER 50 Cb -0.66 0.37 0.06 0.00 -1.71 0.00 0.00 66.02 64.08 1h54 s SER 50 CO 0.42 -0.56 0.02 -0.22 1.20 0.00 0.00 173.24 174.10 1h54 s LEU 51 N -2.18 4.04 -0.12 3.45 0.20 -1.26 -5.05 118.68 117.75 1h54 s LEU 51 Ca 0.03 -1.35 -0.29 0.00 0.69 0.00 0.00 54.13 53.21 1h54 s LEU 51 Cb -0.01 -1.72 -0.02 0.00 -0.43 0.00 0.00 46.19 44.01 1h54 s LEU 51 CO -0.06 -0.29 1.17 -1.58 -0.29 0.00 0.00 176.35 175.30 1h54 s GLN 52 N 1.24 4.31 -0.25 1.98 2.00 -1.26 -4.85 119.66 122.83 1h54 s GLN 52 Ca -0.04 1.58 -0.02 0.00 -2.00 0.00 0.00 55.36 54.89 1h54 s GLN 52 Cb -0.20 -3.64 0.14 0.00 0.80 0.00 0.00 33.01 30.11 1h54 s GLN 52 CO -0.01 -0.54 0.38 0.20 -0.50 0.00 0.00 175.29 174.81 1h54 s GLY 53 N 1.55 -0.42 -0.11 2.59 0.00 -1.26 -4.90 107.32 104.77 1h54 s GLY 53 Ca 0.53 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1h54 s GLY 53 CO 0.17 2.72 -0.11 -0.42 0.00 0.00 0.00 173.10 175.46 1h54 s ILE 54 N 2.53 1.19 0.01 0.90 1.01 -1.26 -1.11 121.20 124.47 1h54 s ILE 54 Ca 0.12 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1h54 s ILE 54 Cb -0.15 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 1h54 s ILE 54 CO -0.19 0.39 -0.17 -0.31 0.00 0.00 0.00 174.94 174.66 1h54 s TYR 55 N 1.38 1.51 -0.21 3.97 1.51 0.13 0.02 117.35 125.65 1h54 s TYR 55 Ca -0.00 -0.31 -0.07 0.00 -1.01 0.00 0.00 57.07 55.68 1h54 s TYR 55 Cb -0.13 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 1h54 s TYR 55 CO -0.06 0.01 0.06 -0.51 -1.11 0.00 0.00 175.55 173.95 1h54 s LEU 56 N -0.66 3.64 0.11 -1.29 1.43 -1.26 -1.17 118.68 119.48 1h54 s LEU 56 Ca 0.06 -0.05 -0.34 0.00 -1.03 0.00 0.00 54.13 52.77 1h54 s LEU 56 Cb -0.07 -1.94 -0.14 0.00 0.03 0.00 0.00 46.19 44.07 1h54 s LEU 56 CO 0.00 0.08 1.61 0.61 0.23 0.00 0.00 176.35 178.88 1h54 n GLY 57 N 4.15 1.13 1.64 -3.19 0.00 0.19 -1.82 105.19 107.29 1h54 n GLY 57 Ca -0.16 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1h54 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h54 n GLY 58 N 3.51 1.78 3.72 -0.02 0.00 -1.26 -4.98 105.19 107.94 1h54 n GLY 58 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1h54 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h54 s VAL 59 N -2.46 5.06 0.25 1.61 1.01 -0.76 -5.05 120.40 120.07 1h54 s VAL 59 Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 61.98 63.20 1h54 s VAL 59 Cb 0.00 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1h54 s VAL 59 CO 0.00 0.29 0.45 -1.66 0.00 0.00 0.00 175.10 174.18 1h54 s TRP 60 N 0.64 0.49 0.00 5.22 1.48 -1.26 -4.45 118.94 121.07 1h54 s TRP 60 Ca 0.34 -0.84 0.01 0.00 -1.06 0.00 0.00 56.10 54.55 1h54 s TRP 60 Cb -0.17 0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.24 1h54 s TRP 60 CO 0.16 -0.98 -0.03 -0.47 -4.06 0.00 0.00 176.95 171.57 1h54 s TYR 61 N -3.91 0.26 0.36 1.66 6.14 -0.56 -4.85 117.35 116.44 1h54 s TYR 61 Ca 0.25 -0.14 -0.04 0.00 0.64 0.00 0.00 57.07 57.78 1h54 s TYR 61 Cb -0.00 -0.16 -0.04 0.00 0.42 0.00 0.00 41.96 42.17 1h54 s TYR 61 CO 0.10 -0.03 0.62 -1.25 0.64 0.00 0.00 175.55 175.63 1h54 s PRO 62 N -0.36 3.58 -0.05 4.97 0.04 -1.26 0.23 135.00 142.13 1h54 s PRO 62 Ca -0.02 -0.03 -0.12 0.00 0.04 0.00 0.00 61.00 60.87 1h54 s PRO 62 Cb -0.03 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.96 1h54 s PRO 62 CO -0.00 0.08 0.29 0.34 0.04 0.00 0.00 177.00 177.75 1h54 s ASP 63 N -3.65 -0.22 0.23 6.66 2.15 -0.27 -4.93 116.67 116.64 1h54 s ASP 63 Ca 0.44 0.27 -0.31 0.00 0.43 0.00 0.00 52.55 53.37 1h54 s ASP 63 Cb -0.10 0.43 -0.11 0.00 -0.30 0.00 0.00 42.92 42.83 1h54 s ASP 63 CO 0.35 -0.30 1.66 -0.75 -0.17 0.00 0.00 175.17 175.97 1h54 s LYS 64 N -0.72 4.14 0.33 4.34 2.20 -1.26 -1.27 119.74 127.50 1h54 s LYS 64 Ca -0.08 2.56 -0.29 0.00 -0.36 0.00 0.00 55.97 57.81 1h54 s LYS 64 Cb -0.04 -3.07 -0.12 0.00 -1.51 0.00 0.00 37.83 33.09 1h54 s LYS 64 CO 0.02 -0.69 1.43 2.41 -0.36 0.00 0.00 175.35 178.16 1h54 n THR 65 N 3.44 1.70 -3.85 3.43 -1.04 -0.56 -4.81 114.28 112.59 1h54 n THR 65 Ca 0.13 -0.43 -0.27 0.00 -2.04 0.00 0.00 64.05 61.45 1h54 n THR 65 Cb 0.36 -1.78 -0.17 0.00 -1.82 0.00 0.00 70.33 66.93 1h54 n THR 65 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1h54 s ARG 66 N -1.55 1.20 0.15 -2.82 3.52 -1.26 -5.00 118.95 113.19 1h54 s ARG 66 Ca 0.58 -0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 55.80 1h54 s ARG 66 Cb -0.53 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.00 1h54 s ARG 66 CO 0.59 -0.43 0.05 0.14 -0.81 0.00 0.00 175.30 174.84 1h54 s VAL 67 N 1.73 0.27 -0.06 7.11 -7.23 -1.26 -5.05 120.40 115.91 1h54 s VAL 67 Ca 0.02 -1.94 -0.16 0.00 -1.81 0.00 0.00 61.98 58.08 1h54 s VAL 67 Cb -0.15 -2.12 -0.12 0.00 0.56 0.00 0.00 36.38 34.56 1h54 s VAL 67 CO -0.07 -0.42 0.66 1.23 -0.31 0.00 0.00 175.10 176.18 1h54 h GLY 68 N 2.78 -0.29 -5.05 2.32 0.00 -2.00 -3.45 103.07 97.40 1h54 h GLY 68 Ca -0.36 0.11 -0.67 0.00 0.00 0.00 0.00 47.33 46.41 1h54 h GLY 68 CO 0.60 -0.10 -0.88 -0.98 0.00 0.00 0.00 176.54 175.18 1h54 s TRP 69 N -3.03 2.37 0.38 5.60 0.52 -1.26 -5.12 118.94 118.39 1h54 s TRP 69 Ca -0.10 -0.74 -0.23 0.00 0.02 0.00 0.00 56.10 55.05 1h54 s TRP 69 Cb 0.00 -1.56 -0.10 0.00 -1.15 0.00 0.00 33.47 30.66 1h54 s TRP 69 CO 0.34 -0.24 0.94 -0.46 0.02 0.00 0.00 176.95 177.55 1h54 s TRP 70 N -0.06 3.49 -0.03 -1.98 -0.11 -1.26 -5.07 118.94 113.92 1h54 s TRP 70 Ca -0.06 1.69 0.03 0.00 1.22 0.00 0.00 56.10 58.98 1h54 s TRP 70 Cb -0.14 -2.88 -0.00 0.00 -1.50 0.00 0.00 33.47 28.94 1h54 s TRP 70 CO 0.04 0.04 -0.12 0.15 -4.62 0.00 0.00 176.95 172.44 1h54 s LYS 71 N -2.65 1.21 0.23 5.86 -0.14 -1.26 -5.11 119.74 117.88 1h54 s LYS 71 Ca 0.56 -0.44 -0.32 0.00 -1.36 0.00 0.00 55.97 54.42 1h54 s LYS 71 Cb -0.13 -1.11 -0.12 0.00 -1.68 0.00 0.00 37.83 34.78 1h54 s LYS 71 CO 0.18 0.20 1.66 0.09 -0.76 0.00 0.00 175.35 176.72 1h54 n ASN 72 N 3.08 3.80 0.00 2.83 3.02 -1.26 -2.21 115.26 124.52 1h54 n ASN 72 Ca -0.17 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 1h54 n ASN 72 Cb 0.54 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 1h54 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h54 n GLY 73 N 3.31 2.56 3.74 7.41 0.00 -1.26 -4.96 105.19 115.99 1h54 n GLY 73 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1h54 n GLY 73 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h54 n TYR 74 N -1.12 2.24 -1.75 1.61 4.01 -0.94 -4.89 117.16 116.32 1h54 n TYR 74 Ca 0.00 0.44 -0.34 0.00 -0.16 0.00 0.00 57.90 57.83 1h54 n TYR 74 Cb 0.00 -2.36 0.06 0.00 -0.31 0.00 0.00 39.34 36.73 1h54 n TYR 74 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1h54 s PRO 75 N -2.83 2.66 0.17 -0.72 0.02 -1.26 -4.93 135.00 128.11 1h54 s PRO 75 Ca 0.71 1.64 0.04 0.00 0.02 0.00 0.00 61.00 63.41 1h54 s PRO 75 Cb -0.42 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1h54 s PRO 75 CO 0.50 -1.40 1.39 0.87 -0.33 0.00 0.00 177.00 178.02 1h54 h LYS 76 N 0.23 0.14 -4.47 5.54 1.57 -1.92 -3.43 116.57 114.22 1h54 h LYS 76 Ca -0.48 -0.16 -0.25 0.00 -1.87 0.00 0.00 60.65 57.89 1h54 h LYS 76 Cb 1.28 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 33.50 1h54 h LYS 76 CO 0.53 0.92 -0.50 1.52 -0.57 0.00 0.00 179.45 181.36 1h54 s TYR 77 N -3.17 1.14 0.07 -1.35 -0.85 -1.26 -1.50 117.35 110.43 1h54 s TYR 77 Ca -0.02 -1.33 0.02 0.00 -0.52 0.00 0.00 57.07 55.23 1h54 s TYR 77 Cb 0.10 -0.44 -0.03 0.00 0.38 0.00 0.00 41.96 41.97 1h54 s TYR 77 CO 0.82 -0.76 -0.08 -0.59 -1.52 0.00 0.00 175.55 173.41 1h54 s PHE 78 N -3.94 0.84 0.26 -3.49 -0.12 -0.40 -4.52 117.98 106.62 1h54 s PHE 78 Ca 0.36 -0.66 0.02 0.00 -0.05 0.00 0.00 56.93 56.59 1h54 s PHE 78 Cb 0.05 -0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 41.92 1h54 s PHE 78 CO 0.15 -0.08 0.43 0.20 -0.05 0.00 0.00 175.22 175.87 1h54 s GLY 79 N -2.23 1.45 0.10 1.99 0.00 -1.26 -1.11 107.32 106.25 1h54 s GLY 79 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1h54 s GLY 79 CO -0.01 -0.96 -0.09 0.54 0.00 0.00 0.00 173.10 172.58 1h54 s LYS 80 N -3.88 0.86 0.42 2.90 1.02 0.13 -4.94 119.74 116.25 1h54 s LYS 80 Ca 0.37 -1.24 -0.19 0.00 0.02 0.00 0.00 55.97 54.93 1h54 s LYS 80 Cb -0.10 -0.42 -0.10 0.00 -0.52 0.00 0.00 37.83 36.69 1h54 s LYS 80 CO 0.31 0.04 0.91 0.08 -0.92 0.00 0.00 175.35 175.78 1h54 s VAL 81 N -2.93 4.46 -0.13 3.17 1.01 -1.26 -1.50 120.40 123.20 1h54 s VAL 81 Ca 0.09 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.44 1h54 s VAL 81 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1h54 s VAL 81 CO -0.02 -0.33 -0.17 -0.69 0.00 0.00 0.00 175.10 173.90 1h54 s VAL 82 N -2.19 1.69 -0.08 2.92 1.01 -1.26 -4.83 120.40 117.66 1h54 s VAL 82 Ca 0.60 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1h54 s VAL 82 Cb -0.09 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1h54 s VAL 82 CO 0.16 0.48 1.61 0.21 0.00 0.00 0.00 175.10 177.56 1h54 s ASN 83 N 1.14 6.68 0.84 3.32 2.47 -1.26 -4.63 114.94 123.51 1h54 s ASN 83 Ca -0.02 2.14 -0.12 0.00 0.42 0.00 0.00 52.86 55.28 1h54 s ASN 83 Cb -0.14 -2.53 0.10 0.00 -1.45 0.00 0.00 41.25 37.22 1h54 s ASN 83 CO -0.06 -0.93 1.15 0.00 -3.72 0.00 0.00 177.10 173.54 1h54 s ALA 84 N 4.06 2.28 0.23 1.71 0.00 0.10 -4.82 121.76 125.32 1h54 s ALA 84 Ca 0.71 -0.54 -0.32 0.00 0.00 0.00 0.00 51.96 51.82 1h54 s ALA 84 Cb -0.32 -3.01 -0.13 0.00 0.00 0.00 0.00 23.12 19.67 1h54 s ALA 84 CO 0.28 -1.89 1.49 0.28 0.00 0.00 0.00 175.76 175.92 1h54 n VAL 85 N -3.49 0.69 -2.23 0.00 0.31 -1.26 -4.76 118.33 107.60 1h54 n VAL 85 Ca 0.07 -0.17 -0.39 0.00 -0.01 0.00 0.00 64.34 63.84 1h54 n VAL 85 Cb 0.60 -1.59 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 1h54 n VAL 85 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1h54 s ASN 86 N 0.51 5.60 0.00 4.52 2.47 0.54 -4.84 114.94 123.73 1h54 s ASN 86 Ca 0.70 -0.06 0.23 0.00 0.42 0.00 0.00 52.86 54.15 1h54 s ASN 86 Cb -0.63 -2.54 0.25 0.00 -1.45 0.00 0.00 41.25 36.88 1h54 s ASN 86 CO 0.46 -2.20 1.28 2.22 -3.72 0.00 0.00 177.10 175.14 1h54 n PHE 87 N 11.60 0.14 0.79 0.43 1.16 -1.26 -0.55 117.46 129.77 1h54 n PHE 87 Ca 0.17 -0.07 0.10 0.00 -1.87 0.00 0.00 57.45 55.78 1h54 n PHE 87 Cb 0.51 -0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.29 1h54 n PHE 87 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 1h54 n ILE 88 N 1.34 0.02 -1.61 1.97 -5.35 -1.26 -4.81 119.36 109.66 1h54 n ILE 88 Ca 0.15 -0.10 -0.61 0.00 -0.27 0.00 0.00 62.75 61.92 1h54 n ILE 88 Cb 0.58 0.71 -0.08 0.00 -1.74 0.00 0.00 39.64 39.11 1h54 n ILE 88 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1h54 n LYS 89 N -1.67 0.26 -2.79 6.28 4.81 -1.25 -4.78 118.16 119.02 1h54 n LYS 89 Ca 0.03 0.10 -0.07 0.00 -0.87 0.00 0.00 58.31 57.49 1h54 n LYS 89 Cb 0.38 -1.63 0.02 0.00 0.02 0.00 0.00 35.03 33.82 1h54 n LYS 89 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1h54 n LEU 90 N 2.81 -3.05 -4.76 3.14 0.00 0.14 -1.97 117.00 113.32 1h54 n LEU 90 Ca 0.24 -3.17 -0.37 0.00 0.00 0.00 0.00 56.01 52.71 1h54 n LEU 90 Cb 0.05 0.78 0.02 0.00 0.00 0.00 0.00 43.42 44.28 1h54 n LEU 90 CO 0.72 1.96 0.89 -2.16 0.00 0.00 0.00 177.39 178.81 1h54 s PRO 91 N 0.72 3.30 -0.13 1.96 0.04 -1.26 -3.64 135.00 135.99 1h54 s PRO 91 Ca 0.31 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1h54 s PRO 91 Cb 0.10 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1h54 s PRO 91 CO -0.14 -0.98 -0.11 0.42 0.04 0.00 0.00 177.00 176.23 1h54 s ILE 92 N -1.47 1.29 -0.16 0.56 1.01 -1.26 -1.78 121.20 119.40 1h54 s ILE 92 Ca 0.71 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 1h54 s ILE 92 Cb -0.34 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1h54 s ILE 92 CO 0.39 0.41 -0.00 -1.61 0.00 0.00 0.00 174.94 174.13 1h54 s GLU 93 N 1.54 3.72 -0.23 2.79 2.02 0.11 0.00 118.70 128.66 1h54 s GLU 93 Ca 0.04 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 54.54 1h54 s GLU 93 Cb -0.13 -3.00 -0.00 0.00 0.10 0.00 0.00 34.13 31.10 1h54 s GLU 93 CO -0.09 0.29 -0.04 0.42 0.02 0.00 0.00 175.26 175.86 1h54 s ILE 94 N 0.27 3.35 -1.46 -1.63 1.01 -0.44 -0.90 121.20 121.40 1h54 s ILE 94 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 1h54 s ILE 94 Cb -0.13 -2.55 0.05 0.00 0.01 0.00 0.00 42.46 39.84 1h54 s ILE 94 CO 0.02 0.39 0.83 0.59 0.00 0.00 0.00 174.94 176.76 1h54 n ASN 95 N 4.79 -3.08 0.00 3.58 3.02 0.92 -1.22 115.26 123.27 1h54 n ASN 95 Ca -0.18 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1h54 n ASN 95 Cb 0.50 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 1h54 n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h54 n GLY 96 N -1.67 1.26 3.25 7.41 0.00 -1.26 -4.99 105.19 109.19 1h54 n GLY 96 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1h54 n GLY 96 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h54 s GLU 97 N -0.15 2.92 0.49 1.61 2.56 -0.36 -5.00 118.70 120.77 1h54 s GLU 97 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 54.97 53.79 1h54 s GLU 97 Cb 0.00 -3.12 -0.07 0.00 2.00 0.00 0.00 34.13 32.94 1h54 s GLU 97 CO 0.00 -0.42 1.41 -0.35 -0.56 0.00 0.00 175.26 175.34 1h54 n PRO 98 N 4.73 2.04 -2.46 4.30 -0.04 -1.26 -1.32 135.00 140.98 1h54 n PRO 98 Ca -0.16 0.73 -0.41 0.00 -0.04 0.00 0.00 63.50 63.63 1h54 n PRO 98 Cb 0.47 -2.62 -0.04 0.00 -0.04 0.00 0.00 33.50 31.28 1h54 n PRO 98 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1h54 s VAL 99 N -1.23 3.74 -0.27 0.52 1.01 0.10 -4.89 120.40 119.39 1h54 s VAL 99 Ca 0.65 1.50 -0.00 0.00 0.00 0.00 0.00 61.98 64.14 1h54 s VAL 99 Cb -0.44 -3.96 0.15 0.00 0.00 0.00 0.00 36.38 32.13 1h54 s VAL 99 CO 0.54 0.26 0.38 -0.62 0.00 0.00 0.00 175.10 175.66 1h54 s ASP 100 N -0.07 0.51 0.00 3.32 3.68 -1.26 -4.71 116.67 118.14 1h54 s ASP 100 Ca 0.50 -0.19 0.04 0.00 2.13 0.00 0.00 52.55 55.03 1h54 s ASP 100 Cb -0.31 1.02 0.24 0.00 -1.45 0.00 0.00 42.92 42.42 1h54 s ASP 100 CO 0.36 -0.34 0.91 0.18 0.13 0.00 0.00 175.17 176.41 1h54 n LEU 101 N 5.35 0.00 0.05 -1.34 4.77 -1.26 0.11 117.00 124.68 1h54 n LEU 101 Ca -0.01 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1h54 n LEU 101 Cb 0.49 -0.21 0.18 0.00 -2.33 0.00 0.00 43.42 41.55 1h54 n LEU 101 CO 0.02 -0.18 0.34 0.00 -1.33 0.00 0.00 177.39 176.24 1h54 n ALA 102 N -1.21 3.01 0.00 -1.18 0.00 -1.26 -4.45 120.51 115.42 1h54 n ALA 102 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1h54 n ALA 102 Cb 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1h54 n ALA 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h54 n LYS 103 N -2.03 0.00 -2.09 0.00 5.02 0.51 -4.91 118.16 114.66 1h54 n LYS 103 Ca 0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.98 1h54 n LYS 103 Cb 0.43 -0.69 0.02 0.00 -0.02 0.00 0.00 35.03 34.76 1h54 n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h54 s ASP 104 N -4.57 5.55 0.04 4.39 1.01 0.12 -5.04 116.67 118.17 1h54 s ASP 104 Ca 0.00 2.07 -0.05 0.00 0.71 0.00 0.00 52.55 55.29 1h54 s ASP 104 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1h54 s ASP 104 CO 0.00 -1.33 0.27 -0.54 0.21 0.00 0.00 175.17 173.78 1h54 s LYS 105 N -3.62 3.55 0.24 8.23 1.02 -1.26 -4.74 119.74 123.16 1h54 s LYS 105 Ca 0.70 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.52 1h54 s LYS 105 Cb -0.22 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1h54 s LYS 105 CO 0.32 0.61 0.21 0.96 -0.92 0.00 0.00 175.35 176.53 1h54 s ILE 106 N -1.41 0.00 0.20 2.17 -4.36 -1.26 -0.79 121.20 115.75 1h54 s ILE 106 Ca 0.32 -1.93 -0.10 0.00 -0.26 0.00 0.00 60.65 58.67 1h54 s ILE 106 Cb -0.13 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.09 1h54 s ILE 106 CO 0.20 0.00 0.37 -0.94 0.24 0.00 0.00 174.94 174.81 1h54 s SER 107 N -3.21 -0.03 -1.30 4.36 1.04 -0.56 -4.87 113.70 109.14 1h54 s SER 107 Ca 0.38 -0.92 -0.08 0.00 0.48 0.00 0.00 55.95 55.81 1h54 s SER 107 Cb 0.05 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 1h54 s SER 107 CO 0.16 -1.00 0.59 -0.67 0.98 0.00 0.00 173.24 173.30 1h54 n ASP 108 N -0.30 -2.21 -4.78 7.02 2.03 -1.26 -0.35 116.55 116.69 1h54 n ASP 108 Ca -0.04 -0.99 -0.38 0.00 0.52 0.00 0.00 54.79 53.90 1h54 n ASP 108 Cb 0.63 -3.26 -0.06 0.00 -0.72 0.00 0.00 41.12 37.71 1h54 n ASP 108 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1h54 s PHE 109 N -3.75 3.78 -0.12 -0.67 5.36 -1.26 -3.87 117.98 117.45 1h54 s PHE 109 Ca 0.18 1.76 -0.05 0.00 -0.96 0.00 0.00 56.93 57.85 1h54 s PHE 109 Cb -0.06 -2.89 0.06 0.00 -0.34 0.00 0.00 43.02 39.78 1h54 s PHE 109 CO 0.87 0.31 0.26 0.99 -1.46 0.00 0.00 175.22 176.20 1h54 s THR 110 N -1.46 -0.24 -0.24 0.12 2.01 0.71 -4.13 115.64 112.42 1h54 s THR 110 Ca 0.46 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.69 1h54 s THR 110 Cb -0.21 -0.43 0.06 0.00 0.01 0.00 0.00 72.50 71.94 1h54 s THR 110 CO 0.26 0.09 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.98 1h54 s LEU 111 N 1.88 2.74 -0.21 4.42 2.96 -0.44 -0.91 118.68 129.12 1h54 s LEU 111 Ca -0.04 -1.19 -0.01 0.00 -0.22 0.00 0.00 54.13 52.67 1h54 s LEU 111 Cb -0.11 -1.27 0.06 0.00 0.50 0.00 0.00 46.19 45.37 1h54 s LEU 111 CO -0.09 -0.21 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.10 1h54 s ASP 112 N 1.33 3.34 -0.41 3.68 3.68 0.17 -1.24 116.67 127.21 1h54 s ASP 112 Ca -0.06 -0.98 -0.20 0.00 2.13 0.00 0.00 52.55 53.44 1h54 s ASP 112 Cb -0.19 -0.88 0.02 0.00 -1.45 0.00 0.00 42.92 40.42 1h54 s ASP 112 CO -0.06 -0.27 0.60 -0.22 0.13 0.00 0.00 175.17 175.35 1h54 s LEU 113 N 1.63 4.48 -0.56 -1.34 2.96 -0.40 -0.05 118.68 125.41 1h54 s LEU 113 Ca -0.03 -0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 53.40 1h54 s LEU 113 Cb -0.18 -2.68 0.06 0.00 0.50 0.00 0.00 46.19 43.89 1h54 s LEU 113 CO -0.07 -0.69 0.81 -0.62 -1.32 0.00 0.00 176.35 174.45 1h54 s ASP 114 N 1.92 6.25 0.40 3.68 -1.08 0.25 -1.58 116.67 126.51 1h54 s ASP 114 Ca 0.21 -0.78 0.22 0.00 -0.52 0.00 0.00 52.55 51.68 1h54 s ASP 114 Cb -0.15 -2.37 0.71 0.00 -1.46 0.00 0.00 42.92 39.66 1h54 s ASP 114 CO 0.17 -1.13 1.74 0.24 0.52 0.00 0.00 175.17 176.71 1h54 h MET 115 N 9.23 0.00 -0.13 4.34 2.86 -1.50 0.29 114.93 130.02 1h54 h MET 115 Ca -0.27 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.14 1h54 h MET 115 Cb 1.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.75 1h54 h MET 115 CO 1.06 0.29 -0.82 1.25 1.06 0.00 0.00 176.91 179.75 1h54 h HIS 116 N 0.00 1.06 -0.00 -0.22 -0.00 -1.92 -3.28 115.15 110.79 1h54 h HIS 116 Ca -0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 1h54 h HIS 116 Cb 0.89 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1h54 h HIS 116 CO 0.00 1.32 -0.83 1.04 -0.00 0.00 0.00 177.93 179.46 1h54 n GLN 117 N -3.92 0.12 -3.05 5.26 6.02 -1.23 -4.32 117.38 116.26 1h54 n GLN 117 Ca -0.08 -0.10 -0.13 0.00 -0.01 0.00 0.00 57.00 56.68 1h54 n GLN 117 Cb 0.77 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.60 1h54 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h54 n GLY 118 N 1.49 -0.65 2.94 1.08 0.00 0.02 -4.51 105.19 105.56 1h54 n GLY 118 Ca 0.05 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 1h54 n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h54 s VAL 119 N -3.32 0.13 -0.24 1.61 1.01 -0.77 -4.65 120.40 114.17 1h54 s VAL 119 Ca 0.26 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1h54 s VAL 119 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1h54 s VAL 119 CO 0.62 -0.26 0.04 -0.22 0.00 0.00 0.00 175.10 175.28 1h54 s LEU 120 N -0.84 3.32 -0.01 3.92 0.20 -0.67 -0.58 118.68 124.03 1h54 s LEU 120 Ca -0.08 -0.23 0.03 0.00 0.69 0.00 0.00 54.13 54.54 1h54 s LEU 120 Cb -0.06 -1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 43.79 1h54 s LEU 120 CO -0.00 -0.01 -0.09 0.20 -0.29 0.00 0.00 176.35 176.15 1h54 s ASN 121 N 1.48 4.46 -0.19 3.68 0.01 0.93 -2.19 114.94 123.12 1h54 s ASN 121 Ca 0.06 -0.17 -0.13 0.00 -0.71 0.00 0.00 52.86 51.91 1h54 s ASN 121 Cb -0.15 -1.01 0.06 0.00 0.41 0.00 0.00 41.25 40.57 1h54 s ASN 121 CO 0.02 0.29 0.48 -0.60 -1.51 0.00 0.00 177.10 175.78 1h54 s ARG 122 N -1.28 0.50 0.09 -0.60 3.52 -0.77 0.44 118.95 120.84 1h54 s ARG 122 Ca 0.16 0.83 -0.20 0.00 -0.13 0.00 0.00 55.73 56.38 1h54 s ARG 122 Cb -0.11 0.09 0.05 0.00 -1.56 0.00 0.00 34.95 33.42 1h54 s ARG 122 CO 0.06 -0.13 0.48 -1.54 -0.81 0.00 0.00 175.30 173.36 1h54 s SER 123 N 1.09 -0.37 -0.08 -2.12 1.04 -0.09 0.12 113.70 113.28 1h54 s SER 123 Ca -0.07 -0.02 -0.32 0.00 0.48 0.00 0.00 55.95 56.02 1h54 s SER 123 Cb -0.06 0.49 0.13 0.00 0.10 0.00 0.00 66.02 66.68 1h54 s SER 123 CO -0.10 -0.79 1.40 0.72 0.98 0.00 0.00 173.24 175.45 1h54 s PHE 124 N -3.04 -0.01 -0.18 5.02 -0.12 -0.69 -0.20 117.98 118.76 1h54 s PHE 124 Ca -0.02 -0.02 -0.03 0.00 -0.05 0.00 0.00 56.93 56.81 1h54 s PHE 124 Cb 0.00 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1h54 s PHE 124 CO -0.06 -0.07 -0.07 0.08 -0.05 0.00 0.00 175.22 175.04 1h54 s VAL 125 N -2.07 3.37 -0.26 -2.49 1.01 0.52 -0.99 120.40 119.49 1h54 s VAL 125 Ca 0.19 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1h54 s VAL 125 Cb 0.05 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1h54 s VAL 125 CO -0.05 0.47 1.17 -0.69 0.00 0.00 0.00 175.10 176.00 1h54 s VAL 126 N 0.85 4.40 -0.46 2.92 1.01 0.10 -1.50 120.40 127.71 1h54 s VAL 126 Ca -0.02 1.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.44 1h54 s VAL 126 Cb -0.15 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.07 1h54 s VAL 126 CO 0.01 -0.33 0.41 -1.61 0.00 0.00 0.00 175.10 173.58 1h54 s GLU 127 N 3.65 3.00 -0.41 2.72 0.41 0.03 -2.37 118.70 125.73 1h54 s GLU 127 Ca 0.50 -1.23 0.11 0.00 -0.41 0.00 0.00 54.97 53.94 1h54 s GLU 127 Cb -0.16 -4.10 0.41 0.00 -1.78 0.00 0.00 34.13 28.49 1h54 s GLU 127 CO 0.15 -1.00 0.96 0.54 -0.49 0.00 0.00 175.26 175.42 1h54 n ARG 128 N 5.32 2.18 0.00 1.61 1.74 -0.06 -4.15 116.66 123.30 1h54 n ARG 128 Ca -0.11 -3.94 0.00 0.00 -0.77 0.00 0.00 57.85 53.02 1h54 n ARG 128 Cb 0.44 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1h54 n ARG 128 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h54 n GLY 129 N -0.16 3.20 0.22 -0.13 0.00 -1.26 -2.40 105.19 104.65 1h54 n GLY 129 Ca 0.25 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.33 1h54 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h54 h ALA 130 N -0.55 1.00 -3.15 4.61 0.00 -1.98 -3.40 119.26 115.79 1h54 h ALA 130 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 1h54 h ALA 130 Cb 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.58 1h54 h ALA 130 CO 0.00 0.00 -0.63 0.14 0.00 0.00 0.00 179.25 178.76 1h54 s VAL 131 N -3.65 4.22 -0.07 0.00 -7.23 -1.01 -4.21 120.40 108.46 1h54 s VAL 131 Ca -0.01 -0.22 -0.01 0.00 -1.81 0.00 0.00 61.98 59.93 1h54 s VAL 131 Cb 0.09 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 34.15 1h54 s VAL 131 CO 0.36 0.42 -0.01 -0.13 -0.31 0.00 0.00 175.10 175.44 1h54 s ARG 132 N 0.89 0.69 -0.06 4.82 0.52 -1.26 -0.88 118.95 123.67 1h54 s ARG 132 Ca 0.02 0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.30 1h54 s ARG 132 Cb -0.14 -0.99 0.02 0.00 0.52 0.00 0.00 34.95 34.36 1h54 s ARG 132 CO 0.02 -0.27 -0.07 0.08 0.02 0.00 0.00 175.30 175.08 1h54 s VAL 133 N 1.82 0.78 0.16 3.52 1.01 -1.00 -0.61 120.40 126.08 1h54 s VAL 133 Ca 0.03 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 1h54 s VAL 133 Cb -0.12 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 1h54 s VAL 133 CO -0.05 0.29 0.69 0.00 0.00 0.00 0.00 175.10 176.03 1h54 s ALA 134 N 1.08 3.49 -0.06 5.51 0.00 0.41 0.00 121.76 132.19 1h54 s ALA 134 Ca -0.08 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1h54 s ALA 134 Cb -0.14 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.20 1h54 s ALA 134 CO -0.01 0.35 -0.08 -0.51 0.00 0.00 0.00 175.76 175.51 1h54 s LEU 135 N -1.45 1.42 -0.19 0.00 1.43 -0.16 -1.41 118.68 118.33 1h54 s LEU 135 Ca 0.36 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1h54 s LEU 135 Cb -0.20 -0.67 0.04 0.00 0.03 0.00 0.00 46.19 45.39 1h54 s LEU 135 CO 0.22 -0.03 -0.11 0.20 0.23 0.00 0.00 176.35 176.86 1h54 s ASN 136 N 0.95 3.22 -0.00 2.29 0.01 -0.25 -1.71 114.94 119.45 1h54 s ASN 136 Ca -0.10 -0.79 0.01 0.00 -0.71 0.00 0.00 52.86 51.27 1h54 s ASN 136 Cb -0.15 -1.21 -0.04 0.00 0.41 0.00 0.00 41.25 40.27 1h54 s ASN 136 CO 0.00 -0.13 0.02 -0.36 -1.51 0.00 0.00 177.10 175.12 1h54 s PHE 137 N 1.42 3.12 -0.15 2.20 0.40 0.32 -0.87 117.98 124.43 1h54 s PHE 137 Ca 0.00 0.11 -0.10 0.00 -0.60 0.00 0.00 56.93 56.34 1h54 s PHE 137 Cb -0.15 -1.69 0.05 0.00 0.51 0.00 0.00 43.02 41.74 1h54 s PHE 137 CO -0.09 0.48 0.36 -1.14 0.70 0.00 0.00 175.22 175.54 1h54 s GLN 138 N -1.58 0.37 0.11 0.44 0.74 -0.44 -1.84 119.66 117.46 1h54 s GLN 138 Ca 0.20 0.63 -0.20 0.00 0.05 0.00 0.00 55.36 56.04 1h54 s GLN 138 Cb -0.12 0.05 0.05 0.00 1.10 0.00 0.00 33.01 34.10 1h54 s GLN 138 CO 0.11 -0.12 0.49 -0.98 -0.55 0.00 0.00 175.29 174.24 1h54 s ARG 139 N 0.89 1.11 0.12 1.67 1.70 -0.93 0.04 118.95 123.55 1h54 s ARG 139 Ca -0.06 -0.50 -0.21 0.00 -0.47 0.00 0.00 55.73 54.50 1h54 s ARG 139 Cb -0.06 0.50 0.05 0.00 -0.57 0.00 0.00 34.95 34.87 1h54 s ARG 139 CO -0.07 -0.44 0.52 -0.59 -1.08 0.00 0.00 175.30 173.64 1h54 s PHE 140 N -3.36 -0.40 -0.43 5.89 -0.12 -0.27 -1.67 117.98 117.62 1h54 s PHE 140 Ca -0.00 0.23 -0.04 0.00 -0.05 0.00 0.00 56.93 57.07 1h54 s PHE 140 Cb 0.00 0.41 0.12 0.00 -0.63 0.00 0.00 43.02 42.91 1h54 s PHE 140 CO -0.09 -0.75 0.25 -0.51 -0.05 0.00 0.00 175.22 174.07 1h54 s LEU 141 N -2.56 5.35 0.10 -1.99 1.43 -1.26 -1.25 118.68 118.50 1h54 s LEU 141 Ca -0.00 -2.05 -0.36 0.00 -1.03 0.00 0.00 54.13 50.69 1h54 s LEU 141 Cb 0.00 -1.87 -0.16 0.00 0.03 0.00 0.00 46.19 44.19 1h54 s LEU 141 CO -0.10 -0.57 1.36 -0.24 0.23 0.00 0.00 176.35 177.03 1h54 n SER 142 N 4.60 1.81 -0.72 2.29 2.88 -0.80 -4.50 113.62 119.18 1h54 n SER 142 Ca -0.03 1.12 0.13 0.00 -1.33 0.00 0.00 58.87 58.76 1h54 n SER 142 Cb 0.41 -1.22 0.28 0.00 -0.75 0.00 0.00 64.21 62.93 1h54 n SER 142 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1h54 n VAL 143 N 2.54 0.00 -0.05 2.46 0.24 -1.26 -3.27 118.33 118.99 1h54 n VAL 143 Ca 0.18 -0.37 -0.20 0.00 -2.04 0.00 0.00 64.34 61.90 1h54 n VAL 143 Cb 0.21 1.04 -0.13 0.00 -1.47 0.00 0.00 33.84 33.48 1h54 n VAL 143 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h54 n ALA 144 N 0.73 1.10 -3.73 2.33 0.00 -1.26 -4.66 120.51 115.02 1h54 n ALA 144 Ca 0.16 -0.79 -0.29 0.00 0.00 0.00 0.00 53.44 52.52 1h54 n ALA 144 Cb 0.48 -0.45 -0.13 0.00 0.00 0.00 0.00 19.45 19.35 1h54 n ALA 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1h54 s GLN 145 N -2.54 1.53 0.43 0.00 2.00 -1.25 -5.02 119.66 114.81 1h54 s GLN 145 Ca -0.27 -2.32 0.26 0.00 -2.00 0.00 0.00 55.36 51.03 1h54 s GLN 145 Cb 0.08 -2.52 1.32 0.00 0.80 0.00 0.00 33.01 32.68 1h54 s GLN 145 CO 0.70 -1.21 1.69 -1.00 -0.50 0.00 0.00 175.29 174.98 1h54 h PRO 146 N 6.34 0.19 0.00 1.67 0.13 -1.82 0.31 132.00 138.82 1h54 h PRO 146 Ca 0.04 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1h54 h PRO 146 Cb 0.89 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1h54 h PRO 146 CO 0.53 0.13 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 1h54 n GLU 147 N -4.62 0.53 -3.72 0.86 4.71 -1.26 -4.71 120.64 112.43 1h54 n GLU 147 Ca 0.32 0.02 -0.35 0.00 -0.01 0.00 0.00 57.16 57.14 1h54 n GLU 147 Cb 1.22 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 30.07 1h54 n GLU 147 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1h54 s LEU 148 N -2.40 4.21 -0.08 -4.62 2.96 0.11 0.36 118.68 119.21 1h54 s LEU 148 Ca 0.31 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 1h54 s LEU 148 Cb 0.19 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1h54 s LEU 148 CO 0.39 0.18 -0.17 -0.55 -1.32 0.00 0.00 176.35 174.88 1h54 s SER 149 N 0.35 3.73 -0.09 3.68 0.15 0.14 -1.90 113.70 119.77 1h54 s SER 149 Ca 0.08 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.40 1h54 s SER 149 Cb -0.11 -1.16 0.02 0.00 -1.71 0.00 0.00 66.02 63.06 1h54 s SER 149 CO -0.02 0.24 -0.09 -0.69 1.20 0.00 0.00 173.24 173.89 1h54 s VAL 150 N -0.13 1.01 0.13 4.45 1.01 -0.38 -0.68 120.40 125.81 1h54 s VAL 150 Ca -0.02 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.72 1h54 s VAL 150 Cb -0.14 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1h54 s VAL 150 CO 0.04 0.35 -0.25 -1.10 0.00 0.00 0.00 175.10 174.13 1h54 s GLN 151 N 1.23 1.34 -0.07 2.72 -0.21 -0.67 -1.11 119.66 122.90 1h54 s GLN 151 Ca -0.04 -1.32 -0.05 0.00 0.02 0.00 0.00 55.36 53.97 1h54 s GLN 151 Cb -0.14 -1.77 0.03 0.00 1.00 0.00 0.00 33.01 32.13 1h54 s GLN 151 CO -0.03 0.41 0.17 0.21 -2.12 0.00 0.00 175.29 173.93 1h54 s LYS 152 N -2.09 0.15 -0.04 2.91 2.20 0.11 -1.20 119.74 121.78 1h54 s LYS 152 Ca 0.13 0.32 0.02 0.00 -0.36 0.00 0.00 55.97 56.07 1h54 s LYS 152 Cb -0.10 -0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.20 1h54 s LYS 152 CO 0.06 -0.09 -0.09 0.08 -0.36 0.00 0.00 175.35 174.95 1h54 s VAL 153 N 0.63 0.82 -0.12 4.02 1.01 -0.47 -1.32 120.40 124.97 1h54 s VAL 153 Ca -0.04 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1h54 s VAL 153 Cb -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1h54 s VAL 153 CO -0.03 0.27 -0.23 -0.89 0.00 0.00 0.00 175.10 174.23 1h54 s THR 154 N 0.58 2.10 -0.13 3.92 2.01 -0.05 -1.28 115.64 122.79 1h54 s THR 154 Ca -0.10 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 1h54 s THR 154 Cb -0.13 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1h54 s THR 154 CO 0.01 0.55 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 1h54 s VAL 155 N 0.53 3.15 -0.08 3.82 1.01 0.96 -1.09 120.40 128.69 1h54 s VAL 155 Ca -0.14 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1h54 s VAL 155 Cb -0.17 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.91 1h54 s VAL 155 CO 0.05 0.52 -0.04 -0.75 0.00 0.00 0.00 175.10 174.88 1h54 s LYS 156 N 0.35 1.03 -0.02 2.72 2.20 -0.50 -0.50 119.74 125.02 1h54 s LYS 156 Ca -0.10 -0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 1h54 s LYS 156 Cb -0.16 -1.21 -0.04 0.00 -1.51 0.00 0.00 37.83 34.91 1h54 s LYS 156 CO 0.05 -0.25 1.22 1.21 -0.36 0.00 0.00 175.35 177.22 1h54 s ASN 157 N 1.71 7.04 0.00 1.43 3.04 -0.21 -0.44 114.94 127.51 1h54 s ASN 157 Ca 0.03 1.90 0.05 0.00 0.04 0.00 0.00 52.86 54.87 1h54 s ASN 157 Cb -0.13 -2.56 -0.01 0.00 -1.54 0.00 0.00 41.25 37.00 1h54 s ASN 157 CO -0.05 -0.56 0.37 0.18 -3.04 0.00 0.00 177.10 173.99 1h54 n LEU 158 N 4.83 0.67 -4.96 3.21 4.77 0.22 -0.53 117.00 125.21 1h54 n LEU 158 Ca 0.10 -0.69 -0.24 0.00 -0.03 0.00 0.00 56.01 55.15 1h54 n LEU 158 Cb 0.46 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.64 1h54 n LEU 158 CO 0.56 0.15 0.57 -0.94 -1.33 0.00 0.00 177.39 176.39 1h54 s SER 159 N -1.03 4.55 0.27 -1.43 1.04 -0.89 -4.84 113.70 111.38 1h54 s SER 159 Ca 0.03 0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.32 1h54 s SER 159 Cb 0.04 -0.57 -0.09 0.00 0.10 0.00 0.00 66.02 65.50 1h54 s SER 159 CO 0.13 -1.72 0.73 -1.81 0.98 0.00 0.00 173.24 171.55 1h54 s ASP 160 N -4.62 6.92 0.05 7.02 1.01 -1.26 -4.53 116.67 121.27 1h54 s ASP 160 Ca 0.63 1.35 0.00 0.00 0.71 0.00 0.00 52.55 55.24 1h54 s ASP 160 Cb -0.08 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1h54 s ASP 160 CO 0.44 -0.08 0.00 0.00 0.21 0.00 0.00 175.17 175.74 1h54 n ALA 161 N 0.21 -1.02 -1.26 5.23 0.00 -1.26 -4.92 120.51 117.48 1h54 n ALA 161 Ca 0.00 0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.14 1h54 n ALA 161 Cb 0.52 -0.59 0.11 0.00 0.00 0.00 0.00 19.45 19.49 1h54 n ALA 161 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1h54 n GLU 162 N -1.34 0.42 -4.12 0.00 2.13 -1.26 -4.44 120.64 112.03 1h54 n GLU 162 Ca 0.00 0.21 -0.13 0.00 0.66 0.00 0.00 57.16 57.91 1h54 n GLU 162 Cb 0.03 -2.43 -0.11 0.00 0.27 0.00 0.00 31.44 29.19 1h54 n GLU 162 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1h54 s VAL 163 N -1.93 0.67 -0.14 6.31 0.11 -0.44 -4.97 120.40 120.01 1h54 s VAL 163 Ca 0.75 -1.43 -0.06 0.00 -2.93 0.00 0.00 61.98 58.32 1h54 s VAL 163 Cb -0.32 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 1h54 s VAL 163 CO 0.48 -0.55 0.06 -0.62 -3.33 0.00 0.00 175.10 171.14 1h54 s ASP 164 N -2.15 5.67 -0.03 3.54 -1.08 -1.26 -0.91 116.67 120.45 1h54 s ASP 164 Ca -0.01 0.18 0.02 0.00 -0.52 0.00 0.00 52.55 52.23 1h54 s ASP 164 Cb -0.04 -1.84 0.00 0.00 -1.46 0.00 0.00 42.92 39.58 1h54 s ASP 164 CO -0.01 0.29 -0.09 0.68 0.52 0.00 0.00 175.17 176.56 1h54 s VAL 165 N -0.31 0.75 -0.05 1.11 -7.23 -0.68 -0.06 120.40 113.94 1h54 s VAL 165 Ca 0.08 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.92 1h54 s VAL 165 Cb -0.12 -0.68 0.02 0.00 0.56 0.00 0.00 36.38 36.17 1h54 s VAL 165 CO 0.02 0.24 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.13 1h54 s THR 166 N 0.22 0.42 -0.11 5.32 2.01 -0.08 -1.81 115.64 121.61 1h54 s THR 166 Ca -0.03 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1h54 s THR 166 Cb -0.09 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 1h54 s THR 166 CO 0.00 0.22 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.25 1h54 s LEU 167 N 1.21 2.66 -0.64 4.42 1.02 0.12 0.06 118.68 127.52 1h54 s LEU 167 Ca -0.07 -0.32 0.06 0.00 0.02 0.00 0.00 54.13 53.82 1h54 s LEU 167 Cb -0.14 -1.58 0.24 0.00 0.02 0.00 0.00 46.19 44.73 1h54 s LEU 167 CO -0.02 0.21 0.70 0.29 0.02 0.00 0.00 176.35 177.55 1h54 n LYS 168 N 3.22 2.35 -1.66 1.70 5.02 -0.73 -1.31 118.16 126.74 1h54 n LYS 168 Ca -0.18 -4.59 -0.45 0.00 -2.02 0.00 0.00 58.31 51.07 1h54 n LYS 168 Cb 0.53 -2.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.29 1h54 n LYS 168 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1h54 n PRO 169 N 1.06 1.94 -3.83 1.97 -0.02 -1.20 -4.13 135.00 130.79 1h54 n PRO 169 Ca 0.28 0.69 -0.08 0.00 -2.02 0.00 0.00 63.50 62.37 1h54 n PRO 169 Cb 0.40 -2.31 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1h54 n PRO 169 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1h54 s SER 170 N 0.15 -0.08 -0.11 2.55 1.04 -0.83 -0.93 113.70 115.49 1h54 s SER 170 Ca 0.66 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1h54 s SER 170 Cb -0.66 0.81 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1h54 s SER 170 CO 0.52 -1.57 -0.08 -0.63 0.98 0.00 0.00 173.24 172.46 1h54 s ILE 171 N -2.87 1.04 -0.19 -1.02 1.01 -0.32 -3.97 121.20 114.87 1h54 s ILE 171 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 1h54 s ILE 171 Cb -0.05 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.39 1h54 s ILE 171 CO 0.10 0.37 -0.15 -0.62 0.00 0.00 0.00 174.94 174.63 1h54 s ASP 172 N 1.53 3.50 0.00 3.58 2.15 0.28 -1.88 116.67 125.83 1h54 s ASP 172 Ca 0.02 -0.62 0.23 0.00 0.43 0.00 0.00 52.55 52.61 1h54 s ASP 172 Cb -0.13 -1.55 0.55 0.00 -0.30 0.00 0.00 42.92 41.49 1h54 s ASP 172 CO -0.06 -0.02 1.46 0.00 -0.17 0.00 0.00 175.17 176.38 1h54 n ALA 173 N 4.66 2.48 -2.22 3.66 0.00 0.44 -0.34 120.51 129.18 1h54 n ALA 173 Ca -0.20 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.10 1h54 n ALA 173 Cb 0.50 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1h54 n ALA 173 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1h54 n ASP 174 N 0.96 5.52 -4.84 0.00 2.03 -1.26 -4.92 116.55 114.05 1h54 n ASP 174 Ca 0.17 -3.09 -0.21 0.00 0.52 0.00 0.00 54.79 52.18 1h54 n ASP 174 Cb 0.49 -1.47 -0.04 0.00 -0.72 0.00 0.00 41.12 39.38 1h54 n ASP 174 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1h54 s VAL 175 N 0.36 3.29 0.15 5.18 -7.23 -1.26 -5.04 120.40 115.85 1h54 s VAL 175 Ca 0.43 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 1h54 s VAL 175 Cb 0.11 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 1h54 s VAL 175 CO -0.02 -0.14 0.00 -0.04 -0.31 0.00 0.00 175.10 174.59 1h54 s MET 176 N -4.00 1.02 -0.16 4.82 1.00 -1.26 -4.75 119.30 115.97 1h54 s MET 176 Ca 0.42 -1.48 -0.05 0.00 0.00 0.00 0.00 55.69 54.58 1h54 s MET 176 Cb -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 34.83 34.60 1h54 s MET 176 CO 0.26 -0.14 -0.01 -0.80 0.00 0.00 0.00 175.02 174.33 1h54 s ASN 177 N -3.13 5.00 -0.05 3.03 -0.87 -1.26 -4.71 114.94 112.95 1h54 s ASN 177 Ca 0.22 -0.07 -0.26 0.00 -1.57 0.00 0.00 52.86 51.17 1h54 s ASN 177 Cb 0.06 -1.82 -0.21 0.00 -0.02 0.00 0.00 41.25 39.26 1h54 s ASN 177 CO 0.02 0.18 1.10 -0.08 -2.57 0.00 0.00 177.10 175.75 1h54 h GLU 178 N 6.66 -0.03 0.00 -0.60 4.81 -1.99 -3.18 114.58 120.25 1h54 h GLU 178 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1h54 h GLU 178 Cb 1.18 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1h54 h GLU 178 CO 0.65 0.56 0.02 0.39 -0.73 0.00 0.00 179.01 179.90 1h54 n GLU 179 N -4.81 0.00 -3.73 1.92 4.71 -1.26 -4.62 120.64 112.85 1h54 n GLU 179 Ca -0.09 0.09 -0.19 0.00 -0.01 0.00 0.00 57.16 56.97 1h54 n GLU 179 Cb 0.30 -1.52 -0.05 0.00 -1.01 0.00 0.00 31.44 29.17 1h54 n GLU 179 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1h54 n ALA 180 N -1.03 0.40 0.00 0.62 0.00 -1.20 -5.03 120.51 114.27 1h54 n ALA 180 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1h54 n ALA 180 Cb 0.02 0.99 0.00 0.00 0.00 0.00 0.00 19.45 20.45 1h54 n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1h54 n ASN 181 N -1.63 0.20 -3.75 0.00 2.85 -1.26 -4.87 115.26 106.80 1h54 n ASN 181 Ca -0.05 -0.09 -0.39 0.00 -0.11 0.00 0.00 54.58 53.94 1h54 n ASN 181 Cb 0.44 0.21 -0.10 0.00 1.24 0.00 0.00 39.78 41.57 1h54 n ASN 181 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1h54 n TYR 182 N -0.23 0.72 0.00 1.20 9.36 -1.26 -4.87 117.16 122.08 1h54 n TYR 182 Ca 0.00 -0.80 0.00 0.00 3.32 0.00 0.00 57.90 60.42 1h54 n TYR 182 Cb 0.00 -1.35 0.00 0.00 -0.63 0.00 0.00 39.34 37.36 1h54 n TYR 182 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1h54 n ASP 183 N 10.61 0.00 -4.77 2.98 9.92 -1.26 -4.55 116.55 129.47 1h54 n ASP 183 Ca 0.47 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 54.37 1h54 n ASP 183 Cb 0.43 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.83 1h54 n ASP 183 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1h54 s ARG 185 N 0.00 3.18 0.00 -1.24 3.00 -1.26 -4.43 118.95 118.20 1h54 s ARG 185 Ca 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 55.73 55.55 1h54 s ARG 185 Cb 0.00 -2.97 -0.09 0.00 0.00 0.00 0.00 34.95 31.90 1h54 s ARG 185 CO 0.00 0.73 0.55 1.19 0.00 0.00 0.00 175.30 177.77 1h54 n PHE 186 N 1.99 0.00 -5.08 -0.53 3.01 -1.26 -4.89 117.46 110.70 1h54 n PHE 186 Ca -0.19 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.95 1h54 n PHE 186 Cb 0.54 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.86 1h54 n PHE 186 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1h54 s TRP 187 N -1.91 2.59 -0.15 1.38 0.52 -1.26 -0.91 118.94 119.19 1h54 s TRP 187 Ca 0.06 -0.64 -0.04 0.00 0.02 0.00 0.00 56.10 55.49 1h54 s TRP 187 Cb 0.09 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.70 1h54 s TRP 187 CO 0.42 -0.17 -0.01 -0.51 0.02 0.00 0.00 176.95 176.69 1h54 s ASP 188 N -0.09 5.01 -0.12 2.95 1.01 0.02 -4.90 116.67 120.55 1h54 s ASP 188 Ca -0.04 -0.06 -0.29 0.00 0.71 0.00 0.00 52.55 52.86 1h54 s ASP 188 Cb -0.14 -1.78 -0.01 0.00 1.01 0.00 0.00 42.92 42.00 1h54 s ASP 188 CO 0.04 0.19 1.04 -0.69 0.21 0.00 0.00 175.17 175.97 1h54 s VAL 189 N 0.22 4.69 -0.15 -1.27 1.01 -1.26 -1.18 120.40 122.46 1h54 s VAL 189 Ca -0.01 1.98 0.04 0.00 0.00 0.00 0.00 61.98 63.99 1h54 s VAL 189 Cb -0.13 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.74 1h54 s VAL 189 CO 0.02 -0.03 0.24 0.18 0.00 0.00 0.00 175.10 175.51 1h54 n LEU 190 N 5.27 1.90 -3.64 3.92 4.77 0.12 -4.97 117.00 124.36 1h54 n LEU 190 Ca 0.10 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1h54 n LEU 190 Cb 0.48 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1h54 n LEU 190 CO 0.52 0.71 0.36 0.00 -1.33 0.00 0.00 177.39 177.66 1h54 s ALA 191 N -2.55 -1.71 0.06 -1.18 0.00 -0.89 -4.99 121.76 110.51 1h54 s ALA 191 Ca -0.19 2.02 0.07 0.00 0.00 0.00 0.00 51.96 53.85 1h54 s ALA 191 Cb 0.07 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 1h54 s ALA 191 CO 0.75 -0.33 -0.19 0.95 0.00 0.00 0.00 175.76 176.94 1h54 s THR 192 N 0.66 1.53 -0.04 0.00 -4.23 -1.26 -0.42 115.64 111.87 1h54 s THR 192 Ca -0.02 -1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1h54 s THR 192 Cb -0.05 -1.36 0.03 0.00 1.34 0.00 0.00 72.50 72.46 1h54 s THR 192 CO -0.04 0.08 0.09 -0.62 -0.54 0.00 0.00 174.62 173.59 1h54 s ASP 193 N -1.36 -0.03 -0.05 3.99 2.15 -0.27 -4.99 116.67 116.10 1h54 s ASP 193 Ca 0.05 0.17 -0.01 0.00 0.43 0.00 0.00 52.55 53.19 1h54 s ASP 193 Cb -0.09 0.08 0.03 0.00 -0.30 0.00 0.00 42.92 42.64 1h54 s ASP 193 CO 0.02 -0.12 0.01 -1.58 -0.17 0.00 0.00 175.17 173.34 1h54 s GLN 194 N 0.90 0.37 0.40 4.34 0.74 -1.26 -1.16 119.66 123.98 1h54 s GLN 194 Ca -0.07 0.16 0.04 0.00 0.05 0.00 0.00 55.36 55.54 1h54 s GLN 194 Cb -0.10 -0.73 -0.04 0.00 1.10 0.00 0.00 33.01 33.24 1h54 s GLN 194 CO -0.04 -0.26 0.07 -0.65 -0.55 0.00 0.00 175.29 173.86 1h54 s GLN 195 N 1.75 1.88 0.17 1.67 -0.21 0.16 -5.01 119.66 120.08 1h54 s GLN 195 Ca 0.01 -2.12 0.26 0.00 0.02 0.00 0.00 55.36 53.53 1h54 s GLN 195 Cb -0.13 -0.97 0.91 0.00 1.00 0.00 0.00 33.01 33.82 1h54 s GLN 195 CO -0.04 -0.31 1.78 0.00 -2.12 0.00 0.00 175.29 174.61 1h54 n ALA 196 N -0.90 2.16 -0.04 6.09 0.00 -1.26 -3.55 120.51 123.01 1h54 n ALA 196 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.37 1h54 n ALA 196 Cb 0.66 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 1h54 n ALA 196 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1h54 n ASP 197 N -2.09 0.86 -2.15 0.00 2.03 -1.26 -4.84 116.55 109.10 1h54 n ASP 197 Ca 0.05 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.32 1h54 n ASP 197 Cb 0.37 1.45 0.02 0.00 -0.72 0.00 0.00 41.12 42.24 1h54 n ASP 197 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1h54 n ARG 198 N -2.33 0.57 -3.49 -0.67 0.00 -1.23 -4.31 116.66 105.19 1h54 n ARG 198 Ca -0.13 -1.16 -0.12 0.00 -0.00 0.00 0.00 57.85 56.44 1h54 n ARG 198 Cb 0.71 1.48 -0.03 0.00 -0.00 0.00 0.00 32.46 34.61 1h54 n ARG 198 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1h54 s GLY 199 N -2.42 -0.51 0.03 2.89 0.00 -1.16 -0.66 107.32 105.49 1h54 s GLY 199 Ca 0.11 1.03 -0.24 0.00 0.00 0.00 0.00 44.72 45.62 1h54 s GLY 199 CO 0.06 0.49 0.56 -1.35 0.00 0.00 0.00 173.10 172.86 1h54 s SER 200 N -2.15 -0.50 -0.06 1.64 1.04 -0.31 -0.60 113.70 112.76 1h54 s SER 200 Ca -0.00 0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.69 1h54 s SER 200 Cb -0.01 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.66 1h54 s SER 200 CO -0.05 -0.71 0.13 -0.63 0.98 0.00 0.00 173.24 172.96 1h54 s ILE 201 N -2.24 -0.07 -0.24 -1.02 1.01 -0.07 -1.11 121.20 117.46 1h54 s ILE 201 Ca -0.06 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 1h54 s ILE 201 Cb -0.01 -0.23 -0.00 0.00 0.01 0.00 0.00 42.46 42.24 1h54 s ILE 201 CO 0.00 0.08 -0.02 -0.69 0.00 0.00 0.00 174.94 174.32 1h54 s VAL 202 N 1.25 3.47 0.19 2.92 1.01 0.44 -1.41 120.40 128.27 1h54 s VAL 202 Ca -0.08 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1h54 s VAL 202 Cb -0.12 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1h54 s VAL 202 CO -0.06 0.32 -0.14 0.00 0.00 0.00 0.00 175.10 175.23 1h54 s ALA 203 N 1.47 1.91 -0.04 5.51 0.00 -0.01 0.15 121.76 130.75 1h54 s ALA 203 Ca 0.04 -1.61 -0.03 0.00 0.00 0.00 0.00 51.96 50.37 1h54 s ALA 203 Cb -0.15 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1h54 s ALA 203 CO -0.02 0.05 0.09 0.21 0.00 0.00 0.00 175.76 176.10 1h54 s LYS 204 N -3.57 0.09 0.48 0.00 2.20 -0.33 0.16 119.74 118.78 1h54 s LYS 204 Ca 0.21 0.17 -0.24 0.00 -0.36 0.00 0.00 55.97 55.74 1h54 s LYS 204 Cb -0.01 -0.01 -0.07 0.00 -1.51 0.00 0.00 37.83 36.23 1h54 s LYS 204 CO 0.06 -0.05 1.40 0.95 -0.36 0.00 0.00 175.35 177.35 1h54 s THR 205 N 0.31 2.10 1.04 3.43 -4.23 0.40 -0.80 115.64 117.89 1h54 s THR 205 Ca -0.02 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.46 1h54 s THR 205 Cb -0.03 -3.05 0.21 0.00 1.34 0.00 0.00 72.50 70.97 1h54 s THR 205 CO -0.01 0.01 1.08 0.42 -0.54 0.00 0.00 174.62 175.58 1h54 s THR 206 N -1.24 2.09 0.51 3.99 -4.23 -0.09 -4.60 115.64 112.06 1h54 s THR 206 Ca 0.64 0.03 -0.21 0.00 -1.18 0.00 0.00 61.69 60.97 1h54 s THR 206 Cb -0.42 -2.09 -0.07 0.00 1.34 0.00 0.00 72.50 71.26 1h54 s THR 206 CO 0.53 -0.04 1.13 -2.16 -0.54 0.00 0.00 174.62 173.55 1h54 s PRO 207 N -4.57 3.56 0.22 3.99 0.04 -1.26 -4.95 135.00 132.02 1h54 s PRO 207 Ca 0.67 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.44 1h54 s PRO 207 Cb -0.24 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 1h54 s PRO 207 CO 0.61 -0.69 -0.15 0.54 0.04 0.00 0.00 177.00 177.35 1h54 s ASN 208 N -1.64 2.73 0.00 6.66 2.20 -1.26 -5.06 114.94 118.57 1h54 s ASN 208 Ca 0.69 -1.03 0.22 0.00 -0.94 0.00 0.00 52.86 51.80 1h54 s ASN 208 Cb -0.25 -0.16 0.59 0.00 -2.00 0.00 0.00 41.25 39.43 1h54 s ASN 208 CO 0.29 -0.14 1.47 -0.81 -2.94 0.00 0.00 177.10 174.97 1h54 n PRO 209 N -0.42 2.08 -0.23 3.55 -0.04 -1.26 -4.27 135.00 134.42 1h54 n PRO 209 Ca -0.07 -1.63 0.12 0.00 -0.04 0.00 0.00 63.50 61.87 1h54 n PRO 209 Cb 0.60 -1.45 0.25 0.00 -0.04 0.00 0.00 33.50 32.87 1h54 n PRO 209 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1h54 n PHE 210 N 0.86 0.60 -1.04 0.54 3.01 -1.26 -4.95 117.46 115.23 1h54 n PHE 210 Ca 0.17 -0.30 -0.01 0.00 1.01 0.00 0.00 57.45 58.32 1h54 n PHE 210 Cb 0.46 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.92 1h54 n PHE 210 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h54 n GLY 211 N 1.52 0.38 3.87 1.37 0.00 -1.26 -5.01 105.19 106.07 1h54 n GLY 211 Ca 0.20 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1h54 n GLY 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h54 s THR 212 N -1.66 4.72 0.39 2.61 -4.23 -1.26 -5.01 115.64 111.21 1h54 s THR 212 Ca 0.00 0.77 -0.27 0.00 -1.18 0.00 0.00 61.69 61.01 1h54 s THR 212 Cb 0.00 -3.81 -0.10 0.00 1.34 0.00 0.00 72.50 69.93 1h54 s THR 212 CO 0.00 -0.85 1.40 -0.81 -0.54 0.00 0.00 174.62 173.82 1h54 n PRO 213 N -2.08 2.36 -3.82 3.99 -0.04 -1.26 -4.87 135.00 129.27 1h54 n PRO 213 Ca 0.04 0.83 -0.30 0.00 -0.04 0.00 0.00 63.50 64.03 1h54 n PRO 213 Cb 0.54 -2.55 -0.04 0.00 -0.04 0.00 0.00 33.50 31.41 1h54 n PRO 213 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1h54 s ARG 214 N -2.16 3.50 -0.05 0.54 0.52 -1.26 -4.93 118.95 115.12 1h54 s ARG 214 Ca 0.57 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 55.50 1h54 s ARG 214 Cb -0.49 -2.95 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 1h54 s ARG 214 CO 0.61 0.54 -0.22 -0.06 0.02 0.00 0.00 175.30 176.18 1h54 s PHE 215 N -1.61 2.15 -0.11 -0.53 0.40 -1.26 -4.93 117.98 112.08 1h54 s PHE 215 Ca 0.37 -0.59 -0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1h54 s PHE 215 Cb -0.12 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 1h54 s PHE 215 CO 0.27 -0.17 -0.10 0.99 0.70 0.00 0.00 175.22 176.91 1h54 s THR 216 N -0.17 3.37 0.04 0.64 2.01 -1.26 -0.46 115.64 119.82 1h54 s THR 216 Ca -0.01 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 61.51 1h54 s THR 216 Cb -0.12 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 1h54 s THR 216 CO 0.02 0.54 -0.26 -0.94 -0.69 0.00 0.00 174.62 173.29 1h54 s SER 217 N -0.03 3.13 -0.14 3.53 1.04 0.12 -0.83 113.70 120.52 1h54 s SER 217 Ca -0.02 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1h54 s SER 217 Cb -0.14 -0.29 0.02 0.00 0.10 0.00 0.00 66.02 65.72 1h54 s SER 217 CO 0.03 0.26 -0.13 -0.83 0.98 0.00 0.00 173.24 173.55 1h54 s GLY 218 N -1.22 1.07 -0.09 7.32 0.00 0.37 -0.83 107.32 113.94 1h54 s GLY 218 Ca 0.11 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1h54 s GLY 218 CO 0.02 0.57 -0.17 1.06 0.00 0.00 0.00 173.10 174.58 1h54 s MET 219 N 1.51 2.35 -0.05 2.90 -1.94 -0.50 -1.27 119.30 122.29 1h54 s MET 219 Ca 0.05 -0.62 0.03 0.00 -1.71 0.00 0.00 55.69 53.43 1h54 s MET 219 Cb -0.13 -1.89 0.01 0.00 2.01 0.00 0.00 34.83 34.83 1h54 s MET 219 CO -0.10 0.04 -0.12 -2.00 -0.01 0.00 0.00 175.02 172.82 1h54 s GLU 220 N 0.69 1.57 -0.09 2.03 2.12 -0.75 -0.89 118.70 123.37 1h54 s GLU 220 Ca -0.13 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 1h54 s GLU 220 Cb -0.16 -1.33 -0.03 0.00 0.26 0.00 0.00 34.13 32.87 1h54 s GLU 220 CO 0.03 0.08 -0.02 0.00 -0.54 0.00 0.00 175.26 174.81 1h54 s MET 221 N 0.47 3.03 0.08 4.30 0.23 0.23 -1.20 119.30 126.44 1h54 s MET 221 Ca -0.11 -0.46 0.07 0.00 -1.03 0.00 0.00 55.69 54.16 1h54 s MET 221 Cb -0.14 -2.76 -0.03 0.00 -1.53 0.00 0.00 34.83 30.37 1h54 s MET 221 CO 0.03 0.62 -0.18 1.03 -2.03 0.00 0.00 175.02 174.49 1h54 s ARG 222 N -0.68 1.02 0.38 3.16 1.81 0.38 -3.01 118.95 122.03 1h54 s ARG 222 Ca 0.11 -1.04 0.08 0.00 -1.72 0.00 0.00 55.73 53.16 1h54 s ARG 222 Cb -0.12 -1.16 -0.07 0.00 -0.45 0.00 0.00 34.95 33.15 1h54 s ARG 222 CO 0.02 0.27 -0.03 -0.51 -0.68 0.00 0.00 175.30 174.37 1h54 s LEU 223 N -1.73 2.83 -0.24 2.53 2.01 -1.26 -0.59 118.68 122.22 1h54 s LEU 223 Ca 0.03 -1.30 -0.05 0.00 0.01 0.00 0.00 54.13 52.82 1h54 s LEU 223 Cb -0.10 -0.95 0.13 0.00 0.01 0.00 0.00 46.19 45.28 1h54 s LEU 223 CO 0.03 -0.35 0.47 -0.69 1.01 0.00 0.00 176.35 176.82 1h54 s VAL 224 N -2.67 -0.74 0.19 -1.59 1.01 -0.99 -4.97 120.40 110.63 1h54 s VAL 224 Ca 0.34 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 1h54 s VAL 224 Cb 0.07 -0.81 0.06 0.00 0.00 0.00 0.00 36.38 35.69 1h54 s VAL 224 CO 0.17 -0.01 0.69 0.28 0.00 0.00 0.00 175.10 176.23 1h54 s THR 225 N 2.68 0.00 -1.86 3.92 -1.32 -1.26 0.35 115.64 118.13 1h54 s THR 225 Ca 0.06 -0.38 0.20 0.00 -1.21 0.00 0.00 61.69 60.36 1h54 s THR 225 Cb -0.14 -1.40 0.00 0.00 -1.51 0.00 0.00 72.50 69.45 1h54 s THR 225 CO -0.16 0.00 1.01 -0.90 -2.21 0.00 0.00 174.62 172.36 1h54 n ASP 226 N -0.40 1.93 -4.79 8.08 5.68 -1.19 -4.96 116.55 120.89 1h54 n ASP 226 Ca -0.11 -1.46 -0.30 0.00 -0.50 0.00 0.00 54.79 52.42 1h54 n ASP 226 Cb 0.62 0.45 0.10 0.00 -1.14 0.00 0.00 41.12 41.15 1h54 n ASP 226 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1h54 s LEU 227 N -2.27 2.53 -0.17 -2.12 1.43 -1.26 -5.02 118.68 111.80 1h54 s LEU 227 Ca 0.17 1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 54.44 1h54 s LEU 227 Cb 0.16 -3.89 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1h54 s LEU 227 CO 0.49 -2.08 0.29 -0.75 0.23 0.00 0.00 176.35 174.54 1h54 s LYS 228 N -5.14 4.24 0.30 1.70 2.20 -0.11 -4.86 119.74 118.07 1h54 s LYS 228 Ca 0.61 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 56.00 1h54 s LYS 228 Cb -0.15 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.63 1h54 s LYS 228 CO 0.54 0.20 1.28 1.21 -0.36 0.00 0.00 175.35 178.22 1h54 s ASN 229 N 0.57 6.88 0.02 1.43 2.47 -1.26 -0.67 114.94 124.36 1h54 s ASN 229 Ca 0.16 2.57 0.06 0.00 0.42 0.00 0.00 52.86 56.07 1h54 s ASN 229 Cb -0.13 -2.64 -0.02 0.00 -1.45 0.00 0.00 41.25 37.01 1h54 s ASN 229 CO 0.04 -0.47 -0.19 -0.69 -3.72 0.00 0.00 177.10 172.06 1h54 s VAL 230 N -0.87 1.55 0.09 -5.21 1.01 0.11 -4.90 120.40 112.18 1h54 s VAL 230 Ca 0.50 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 1h54 s VAL 230 Cb -0.38 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 1h54 s VAL 230 CO 0.48 0.30 1.31 0.00 0.00 0.00 0.00 175.10 177.19 1h54 s ALA 231 N -0.63 3.51 -0.01 5.51 0.00 -1.26 -4.09 121.76 124.79 1h54 s ALA 231 Ca 0.07 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1h54 s ALA 231 Cb -0.08 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1h54 s ALA 231 CO 0.01 -0.54 0.01 -1.50 0.00 0.00 0.00 175.76 173.73 1h54 s ILE 232 N 1.10 0.01 0.46 0.00 2.07 -1.26 -5.02 121.20 118.55 1h54 s ILE 232 Ca 0.62 0.07 -0.20 0.00 -1.41 0.00 0.00 60.65 59.73 1h54 s ILE 232 Cb -0.34 -0.07 -0.10 0.00 0.13 0.00 0.00 42.46 42.09 1h54 s ILE 232 CO 0.30 0.05 0.97 0.42 -1.91 0.00 0.00 174.94 174.76 1h54 s THR 233 N 0.43 4.31 0.07 4.00 -4.23 -1.26 -4.97 115.64 113.99 1h54 s THR 233 Ca -0.04 1.38 -0.30 0.00 -1.18 0.00 0.00 61.69 61.55 1h54 s THR 233 Cb -0.05 -3.59 -0.09 0.00 1.34 0.00 0.00 72.50 70.10 1h54 s THR 233 CO -0.01 -0.37 1.90 -1.58 -0.54 0.00 0.00 174.62 174.02 1h54 s GLN 234 N -3.35 4.14 0.17 3.99 0.74 -1.26 -4.88 119.66 119.21 1h54 s GLN 234 Ca 0.62 2.59 -0.19 0.00 0.05 0.00 0.00 55.36 58.44 1h54 s GLN 234 Cb -0.10 -3.93 0.11 0.00 1.10 0.00 0.00 33.01 30.18 1h54 s GLN 234 CO 0.17 -0.91 1.63 -1.35 -0.55 0.00 0.00 175.29 174.29 1h54 h PRO 235 N 9.78 -0.11 0.00 1.67 0.11 -1.94 -3.46 132.00 138.04 1h54 h PRO 235 Ca -0.48 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1h54 h PRO 235 Cb 1.23 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1h54 h PRO 235 CO 0.94 -0.08 0.08 0.27 -0.21 0.00 0.00 178.00 179.01 1h54 n ASN 236 N -5.38 -0.38 0.14 -2.05 6.94 -1.26 -5.04 115.26 108.23 1h54 n ASN 236 Ca 0.03 -1.24 0.03 0.00 -0.02 0.00 0.00 54.58 53.38 1h54 n ASN 236 Cb 0.29 0.63 0.43 0.00 -2.36 0.00 0.00 39.78 38.78 1h54 n ASN 236 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1h54 h GLU 237 N 0.00 0.19 -0.61 -3.83 4.81 -2.04 -3.10 114.58 110.00 1h54 h GLU 237 Ca -0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1h54 h GLU 237 Cb 0.23 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1h54 h GLU 237 CO 0.08 0.31 0.00 1.63 -0.73 0.00 0.00 179.01 180.29 1h54 n LYS 238 N -4.32 2.62 -3.77 1.92 5.02 -1.26 -4.91 118.16 113.46 1h54 n LYS 238 Ca -0.01 -2.49 -0.13 0.00 -2.02 0.00 0.00 58.31 53.66 1h54 n LYS 238 Cb 0.24 -1.55 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 1h54 n LYS 238 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1h54 s GLU 239 N -1.19 0.27 0.02 1.97 2.12 -1.17 -0.42 118.70 120.29 1h54 s GLU 239 Ca 0.45 0.41 0.08 0.00 0.36 0.00 0.00 54.97 56.27 1h54 s GLU 239 Cb 0.24 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.67 1h54 s GLU 239 CO 0.33 -0.08 -0.24 0.14 -0.54 0.00 0.00 175.26 174.87 1h54 s VAL 240 N 0.49 2.33 0.14 3.70 -7.23 -0.79 -3.99 120.40 115.07 1h54 s VAL 240 Ca -0.03 -1.23 -0.08 0.00 -1.81 0.00 0.00 61.98 58.83 1h54 s VAL 240 Cb -0.04 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 1h54 s VAL 240 CO -0.03 0.43 0.23 0.42 -0.31 0.00 0.00 175.10 175.84 1h54 s THR 241 N -0.78 0.09 0.21 5.32 -4.23 -1.26 -1.18 115.64 113.81 1h54 s THR 241 Ca 0.12 -1.42 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 1h54 s THR 241 Cb -0.10 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.92 1h54 s THR 241 CO 0.02 -0.40 -0.05 0.42 -0.54 0.00 0.00 174.62 174.07 1h54 s THR 242 N -3.96 1.23 -0.01 3.99 -4.23 -0.11 -4.78 115.64 107.78 1h54 s THR 242 Ca 0.16 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1h54 s THR 242 Cb 0.04 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.71 1h54 s THR 242 CO -0.02 -0.47 0.02 0.00 -0.54 0.00 0.00 174.62 173.61 1h54 s ALA 243 N -3.29 -0.02 -0.02 3.99 0.00 -1.26 -3.21 121.76 117.95 1h54 s ALA 243 Ca 0.24 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1h54 s ALA 243 Cb 0.04 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1h54 s ALA 243 CO 0.07 -0.03 0.00 0.71 0.00 0.00 0.00 175.76 176.50 1h54 s TYR 244 N 0.26 0.26 0.42 0.00 1.51 -0.43 -0.71 117.35 118.67 1h54 s TYR 244 Ca -0.02 0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.08 1h54 s TYR 244 Cb -0.03 -0.35 -0.02 0.00 -0.11 0.00 0.00 41.96 41.45 1h54 s TYR 244 CO -0.01 -0.11 0.12 0.95 -1.11 0.00 0.00 175.55 175.39 1h54 s THR 245 N 0.88 0.66 0.00 -0.71 -4.23 0.15 -0.70 115.64 111.69 1h54 s THR 245 Ca -0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1h54 s THR 245 Cb -0.12 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1h54 s THR 245 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1h54 n GLY 246 N -0.96 1.63 3.44 3.99 0.00 -0.75 -0.93 105.19 111.61 1h54 n GLY 246 Ca -0.07 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 1h54 n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h54 s LYS 247 N -2.00 3.58 -0.22 1.61 1.02 -1.26 -1.69 119.74 120.78 1h54 s LYS 247 Ca 0.00 -0.55 -0.07 0.00 0.02 0.00 0.00 55.97 55.37 1h54 s LYS 247 Cb 0.00 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 1h54 s LYS 247 CO 0.00 0.10 0.06 -0.51 -0.92 0.00 0.00 175.35 174.08 1h54 s LEU 248 N 0.72 3.50 0.73 3.17 1.02 -0.08 -4.94 118.68 122.81 1h54 s LEU 248 Ca -0.02 -0.13 -0.11 0.00 0.02 0.00 0.00 54.13 53.89 1h54 s LEU 248 Cb -0.14 -1.92 0.03 0.00 0.02 0.00 0.00 46.19 44.18 1h54 s LEU 248 CO 0.02 0.04 1.08 0.00 0.02 0.00 0.00 176.35 177.50 1h54 s ALA 249 N 1.19 2.54 0.18 4.21 0.00 -1.26 -1.33 121.76 127.29 1h54 s ALA 249 Ca 0.04 -0.08 -0.32 0.00 0.00 0.00 0.00 51.96 51.60 1h54 s ALA 249 Cb -0.14 -3.13 -0.16 0.00 0.00 0.00 0.00 23.12 19.69 1h54 s ALA 249 CO 0.03 -1.40 1.16 -2.30 0.00 0.00 0.00 175.76 173.25 1h54 n PRO 250 N -3.23 1.20 -0.88 0.00 -0.02 -1.26 -0.26 135.00 130.55 1h54 n PRO 250 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1h54 n PRO 250 Cb 0.55 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1h54 n PRO 250 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1h54 n GLN 251 N 1.71 -0.71 -2.98 -0.52 1.13 0.31 -4.99 117.38 111.32 1h54 n GLN 251 Ca 0.15 0.18 -0.28 0.00 -1.94 0.00 0.00 57.00 55.10 1h54 n GLN 251 Cb 0.25 -3.99 -0.02 0.00 0.11 0.00 0.00 30.24 26.59 1h54 n GLN 251 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1h54 s ALA 252 N -1.73 3.48 0.13 -1.58 0.00 0.64 -4.80 121.76 117.91 1h54 s ALA 252 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1h54 s ALA 252 Cb 0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1h54 s ALA 252 CO 0.00 -0.04 0.05 -1.54 0.00 0.00 0.00 175.76 174.23 1h54 s SER 253 N -3.53 0.37 0.07 0.00 1.04 -1.26 -1.05 113.70 109.34 1h54 s SER 253 Ca 0.47 -1.20 -0.07 0.00 0.48 0.00 0.00 55.95 55.62 1h54 s SER 253 Cb -0.10 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1h54 s SER 253 CO 0.35 -0.72 0.15 0.00 0.98 0.00 0.00 173.24 174.01 1h54 s ALA 254 N -4.02 -0.12 0.11 5.32 0.00 0.34 -4.99 121.76 118.40 1h54 s ALA 254 Ca 0.24 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1h54 s ALA 254 Cb 0.07 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1h54 s ALA 254 CO 0.02 -0.45 0.05 -1.83 0.00 0.00 0.00 175.76 173.54 1h54 s GLU 255 N -3.60 0.84 -0.20 0.00 -1.05 -1.26 -0.03 118.70 113.40 1h54 s GLU 255 Ca 0.03 -1.33 -0.15 0.00 -0.15 0.00 0.00 54.97 53.36 1h54 s GLU 255 Cb 0.04 0.25 0.06 0.00 -0.44 0.00 0.00 34.13 34.03 1h54 s GLU 255 CO -0.09 -0.22 0.52 -1.17 0.95 0.00 0.00 175.26 175.24 1h54 s LEU 256 N -3.00 -0.17 0.01 1.83 0.20 -0.40 -3.14 118.68 114.01 1h54 s LEU 256 Ca 0.17 1.08 0.03 0.00 0.69 0.00 0.00 54.13 56.11 1h54 s LEU 256 Cb 0.07 1.77 -0.03 0.00 -0.43 0.00 0.00 46.19 47.57 1h54 s LEU 256 CO -0.03 -0.19 -0.06 -1.61 -0.29 0.00 0.00 176.35 174.17 1h54 s GLU 257 N 0.79 2.56 -0.25 1.98 2.02 0.15 -1.37 118.70 124.59 1h54 s GLU 257 Ca -0.04 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.21 1h54 s GLU 257 Cb -0.05 -2.51 0.07 0.00 0.10 0.00 0.00 34.13 31.74 1h54 s GLU 257 CO -0.06 0.60 0.03 0.21 0.02 0.00 0.00 175.26 176.06 1h54 s LYS 258 N -1.50 0.96 -0.25 1.61 2.20 -0.34 -2.35 119.74 120.07 1h54 s LYS 258 Ca 0.18 -0.84 -0.12 0.00 -0.36 0.00 0.00 55.97 54.83 1h54 s LYS 258 Cb -0.11 -2.24 -0.05 0.00 -1.51 0.00 0.00 37.83 33.92 1h54 s LYS 258 CO 0.08 -0.75 0.24 1.03 -0.36 0.00 0.00 175.35 175.59 1h54 s ARG 259 N 1.62 4.04 -0.13 4.03 3.00 0.25 -1.66 118.95 130.10 1h54 s ARG 259 Ca 0.02 -0.17 0.03 0.00 0.00 0.00 0.00 55.73 55.61 1h54 s ARG 259 Cb -0.18 -3.60 0.00 0.00 0.00 0.00 0.00 34.95 31.18 1h54 s ARG 259 CO -0.13 -0.09 -0.22 0.08 0.00 0.00 0.00 175.30 174.94 1h54 s VAL 260 N 1.50 2.15 -0.21 3.52 1.01 0.14 -0.47 120.40 128.05 1h54 s VAL 260 Ca 0.10 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1h54 s VAL 260 Cb -0.15 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1h54 s VAL 260 CO 0.08 0.55 0.12 -0.63 0.00 0.00 0.00 175.10 175.22 1h54 s ILE 261 N 0.61 5.24 -0.16 2.22 -1.09 -0.34 -0.68 121.20 126.99 1h54 s ILE 261 Ca -0.12 0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.44 1h54 s ILE 261 Cb -0.16 -3.40 0.02 0.00 -1.58 0.00 0.00 42.46 37.33 1h54 s ILE 261 CO 0.03 0.42 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.29 1h54 s VAL 262 N 0.56 1.81 0.19 2.92 1.01 0.16 -1.81 120.40 125.23 1h54 s VAL 262 Ca 0.07 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.36 1h54 s VAL 262 Cb -0.12 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1h54 s VAL 262 CO 0.00 0.50 -0.20 0.68 0.00 0.00 0.00 175.10 176.08 1h54 s VAL 263 N 1.34 2.03 0.12 2.92 -7.23 -0.40 -4.54 120.40 114.65 1h54 s VAL 263 Ca 0.04 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1h54 s VAL 263 Cb -0.13 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1h54 s VAL 263 CO -0.11 -0.28 -0.02 0.42 -0.31 0.00 0.00 175.10 174.80 1h54 s THR 264 N -2.03 0.54 -1.85 5.32 -4.23 -1.26 -0.48 115.64 111.64 1h54 s THR 264 Ca 0.19 -1.93 0.11 0.00 -1.18 0.00 0.00 61.69 58.88 1h54 s THR 264 Cb -0.06 -1.86 0.28 0.00 1.34 0.00 0.00 72.50 72.20 1h54 s THR 264 CO 0.08 -0.69 1.14 -1.54 -0.54 0.00 0.00 174.62 173.07 1h54 n SER 265 N -0.10 0.00 0.23 3.99 3.41 -0.01 -1.74 113.62 119.40 1h54 n SER 265 Ca -0.09 -0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.41 1h54 n SER 265 Cb 0.62 -0.07 0.35 0.00 -0.26 0.00 0.00 64.21 64.85 1h54 n SER 265 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1h54 h ARG 266 N 0.00 0.00 -0.02 4.33 3.08 -1.95 -3.28 114.38 116.54 1h54 h ARG 266 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h54 h ARG 266 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1h54 h ARG 266 CO 0.00 0.11 0.00 -0.25 -1.07 0.00 0.00 179.97 178.76 1h54 n ASP 267 N -3.17 1.55 -3.76 7.04 8.00 -0.71 -5.01 116.55 120.50 1h54 n ASP 267 Ca 0.02 -1.46 -0.16 0.00 0.71 0.00 0.00 54.79 53.90 1h54 n ASP 267 Cb 0.48 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.40 1h54 n ASP 267 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1h54 s TYR 268 N -0.50 0.08 0.52 1.24 1.51 -1.21 -5.04 117.35 113.94 1h54 s TYR 268 Ca 0.02 0.13 0.18 0.00 -1.01 0.00 0.00 57.07 56.39 1h54 s TYR 268 Cb 0.01 -0.30 1.30 0.00 -0.11 0.00 0.00 41.96 42.86 1h54 s TYR 268 CO 0.02 -0.11 2.14 -0.44 -1.11 0.00 0.00 175.55 176.04 1h54 h ASP 269 N 7.48 0.00 -5.46 2.29 3.32 -1.94 -3.43 116.42 118.68 1h54 h ASP 269 Ca -0.40 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.45 1h54 h ASP 269 Cb 1.12 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.52 1h54 h ASP 269 CO 0.43 0.03 -0.64 0.42 -1.72 0.00 0.00 179.24 177.76 1h54 s THR 270 N -4.93 0.08 0.07 0.35 -4.23 -1.26 -5.06 115.64 100.67 1h54 s THR 270 Ca -0.05 -1.92 -0.22 0.00 -1.18 0.00 0.00 61.69 58.32 1h54 s THR 270 Cb 0.16 -2.13 -0.13 0.00 1.34 0.00 0.00 72.50 71.75 1h54 s THR 270 CO 0.66 -0.37 1.60 -0.61 -0.54 0.00 0.00 174.62 175.35 1h54 h GLN 271 N 2.81 0.14 0.00 3.99 4.15 -1.99 -0.95 115.11 123.27 1h54 h GLN 271 Ca -0.35 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 58.99 1h54 h GLN 271 Cb 1.21 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1h54 h GLN 271 CO 0.58 0.26 -0.27 1.05 -1.93 0.00 0.00 178.83 178.52 1h54 h GLU 272 N -0.01 0.00 0.01 1.69 4.11 -1.98 0.22 114.58 118.62 1h54 h GLU 272 Ca 0.03 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.25 1h54 h GLU 272 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1h54 h GLU 272 CO -0.00 0.27 -0.92 0.66 0.07 0.00 0.00 179.01 179.09 1h54 h SER 273 N 0.00 0.34 -0.29 3.06 4.64 -1.94 0.50 113.55 119.86 1h54 h SER 273 Ca -0.00 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 60.98 1h54 h SER 273 Cb 0.66 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1h54 h SER 273 CO 0.04 1.09 -0.06 0.25 -0.87 0.00 0.00 176.83 177.28 1h54 h LEU 274 N 0.14 0.55 -0.69 5.97 6.46 -0.57 -1.93 115.31 125.23 1h54 h LEU 274 Ca -0.06 -0.36 -0.04 0.00 -0.12 0.00 0.00 57.88 57.31 1h54 h LEU 274 Cb 1.56 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.31 1h54 h LEU 274 CO 0.15 0.78 0.28 0.74 -0.62 0.00 0.00 178.44 179.77 1h54 h THR 275 N 0.32 1.24 -0.38 1.05 2.02 -0.51 -1.34 112.91 115.31 1h54 h THR 275 Ca 0.07 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1h54 h THR 275 Cb 0.53 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1h54 h THR 275 CO 0.03 0.30 0.24 0.00 0.37 0.00 0.00 175.52 176.46 1h54 h ALA 276 N 1.13 0.49 -0.54 6.16 0.00 -0.76 -1.99 119.26 123.74 1h54 h ALA 276 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1h54 h ALA 276 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1h54 h ALA 276 CO -0.02 -0.03 0.33 0.00 0.00 0.00 0.00 179.25 179.53 1h54 h ALA 277 N 1.12 0.69 -0.53 0.00 0.00 -1.10 0.78 119.26 120.23 1h54 h ALA 277 Ca 0.14 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1h54 h ALA 277 Cb -0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.46 1h54 h ALA 277 CO -0.03 0.17 0.03 1.98 0.00 0.00 0.00 179.25 181.40 1h54 h MET 278 N 0.73 0.15 -0.19 0.00 -1.53 -0.79 0.46 114.93 113.76 1h54 h MET 278 Ca 0.19 -0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.38 1h54 h MET 278 Cb -0.02 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 30.99 1h54 h MET 278 CO -0.04 0.10 -0.13 0.45 0.14 0.00 0.00 176.91 177.44 1h54 h HIS 279 N 0.15 0.49 -0.01 1.39 3.86 -0.92 -2.36 115.15 117.76 1h54 h HIS 279 Ca 0.27 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1h54 h HIS 279 Cb 0.40 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 1h54 h HIS 279 CO -0.30 0.75 -0.19 1.96 0.86 0.00 0.00 177.93 181.01 1h54 h GLN 280 N 0.10 -0.30 -0.47 2.45 4.20 -0.21 0.08 115.11 120.97 1h54 h GLN 280 Ca 0.04 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1h54 h GLN 280 Cb 0.63 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1h54 h GLN 280 CO 0.03 -0.20 0.10 -0.07 -0.67 0.00 0.00 178.83 178.03 1h54 h LEU 281 N -0.31 0.65 -0.84 1.46 3.38 -1.00 -1.45 115.31 117.21 1h54 h LEU 281 Ca 0.06 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1h54 h LEU 281 Cb 0.39 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1h54 h LEU 281 CO -0.19 0.66 0.03 0.28 0.09 0.00 0.00 178.44 179.31 1h54 h SER 282 N 0.68 0.86 -0.16 -0.43 0.02 -0.82 -0.95 113.55 112.76 1h54 h SER 282 Ca 0.15 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1h54 h SER 282 Cb 0.27 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1h54 h SER 282 CO -0.00 0.91 0.02 0.44 -1.14 0.00 0.00 176.83 177.06 1h54 h ASP 283 N 0.84 0.26 -0.31 3.07 3.32 -0.46 -1.96 116.42 121.17 1h54 h ASP 283 Ca 0.16 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 57.00 1h54 h ASP 283 Cb 0.45 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1h54 h ASP 283 CO 0.02 0.46 0.00 0.50 -1.72 0.00 0.00 179.24 178.50 1h54 h LYS 284 N 0.05 0.09 -0.09 3.56 3.64 -1.03 -2.29 116.57 120.50 1h54 h LYS 284 Ca 0.05 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1h54 h LYS 284 Cb 0.32 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1h54 h LYS 284 CO 0.00 0.06 -0.28 0.28 -2.27 0.00 0.00 179.45 177.24 1h54 h VAL 285 N 0.09 1.24 0.00 2.00 2.07 -1.15 -2.33 116.25 118.18 1h54 h VAL 285 Ca 0.15 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1h54 h VAL 285 Cb 0.20 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1h54 h VAL 285 CO -0.25 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1h54 n ALA 286 N -2.48 1.47 1.17 1.67 0.00 -0.74 -1.25 120.51 120.34 1h54 n ALA 286 Ca -0.01 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1h54 n ALA 286 Cb 0.37 -1.15 0.25 0.00 0.00 0.00 0.00 19.45 18.93 1h54 n ALA 286 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1h54 n GLN 287 N -1.44 0.98 -4.17 0.00 6.02 -0.88 -4.92 117.38 112.97 1h54 n GLN 287 Ca 0.03 -0.67 -0.30 0.00 -0.01 0.00 0.00 57.00 56.05 1h54 n GLN 287 Cb 0.10 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.79 1h54 n GLN 287 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1h54 s SER 288 N -2.48 4.93 0.61 1.08 0.01 -0.38 -5.12 113.70 112.34 1h54 s SER 288 Ca 0.23 -0.19 -0.06 0.00 1.31 0.00 0.00 55.95 57.23 1h54 s SER 288 Cb 0.19 -1.15 0.02 0.00 0.21 0.00 0.00 66.02 65.28 1h54 s SER 288 CO 0.53 0.19 0.93 -0.94 0.41 0.00 0.00 173.24 174.37 1h54 s SER 289 N -2.18 5.48 0.12 2.44 1.04 -1.26 -4.92 113.70 114.41 1h54 s SER 289 Ca 0.24 0.71 -0.21 0.00 0.48 0.00 0.00 55.95 57.17 1h54 s SER 289 Cb -0.12 -1.64 -0.07 0.00 0.10 0.00 0.00 66.02 64.30 1h54 s SER 289 CO 0.16 -1.16 1.71 0.22 0.98 0.00 0.00 173.24 175.16 1h54 h TYR 290 N -0.27 -0.10 -0.84 5.02 3.20 -1.99 -1.77 116.97 120.22 1h54 h TYR 290 Ca -0.45 0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.56 1h54 h TYR 290 Cb 1.26 0.06 -0.09 0.00 1.54 0.00 0.00 36.73 39.51 1h54 h TYR 290 CO 0.46 -0.07 0.45 0.93 -1.64 0.00 0.00 178.16 178.28 1h54 h GLU 291 N -0.02 0.66 -0.23 1.82 3.07 -1.98 0.17 114.58 118.07 1h54 h GLU 291 Ca 0.06 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.75 1h54 h GLU 291 Cb 0.12 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1h54 h GLU 291 CO -0.14 0.44 -0.44 -0.44 -1.40 0.00 0.00 179.01 177.03 1h54 h ASP 292 N 0.68 0.60 -0.17 1.42 3.45 -1.83 0.20 116.42 120.77 1h54 h ASP 292 Ca 0.44 -0.28 -0.09 0.00 0.43 0.00 0.00 57.03 57.53 1h54 h ASP 292 Cb 0.56 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 39.16 1h54 h ASP 292 CO -0.32 0.96 -0.24 -0.07 -1.57 0.00 0.00 179.24 177.99 1h54 h LEU 293 N 0.45 0.51 -0.06 1.55 3.38 -0.45 -2.55 115.31 118.14 1h54 h LEU 293 Ca 0.03 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1h54 h LEU 293 Cb 0.95 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1h54 h LEU 293 CO 0.08 0.92 0.01 0.25 0.09 0.00 0.00 178.44 179.80 1h54 h LEU 294 N 0.11 0.09 -0.73 1.67 5.85 -0.65 -2.52 115.31 119.13 1h54 h LEU 294 Ca 0.02 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1h54 h LEU 294 Cb 0.81 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1h54 h LEU 294 CO 0.06 0.31 0.43 0.78 -0.34 0.00 0.00 178.44 179.67 1h54 h ASN 295 N -0.13 0.65 -0.76 1.25 2.35 -0.66 0.11 115.58 118.39 1h54 h ASN 295 Ca 0.02 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1h54 h ASN 295 Cb 0.25 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1h54 h ASN 295 CO 0.00 0.42 0.41 0.00 -1.65 0.00 0.00 177.43 176.61 1h54 h ALA 296 N 1.36 1.26 0.44 -0.83 0.00 -1.41 -1.09 119.26 119.00 1h54 h ALA 296 Ca 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1h54 h ALA 296 Cb 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1h54 h ALA 296 CO -0.17 0.59 -0.21 1.25 0.00 0.00 0.00 179.25 180.70 1h54 h HIS 297 N 1.08 -0.55 0.00 0.00 -0.00 -0.81 -3.14 115.15 111.73 1h54 h HIS 297 Ca 0.27 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.61 1h54 h HIS 297 Cb 0.05 0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 27.64 1h54 h HIS 297 CO 0.01 -0.23 -0.09 1.79 -0.00 0.00 0.00 177.93 179.40 1h54 h THR 298 N -0.98 0.77 -0.39 6.26 1.35 -0.77 -2.13 112.91 117.02 1h54 h THR 298 Ca -0.06 -0.36 -0.05 0.00 -0.55 0.00 0.00 66.41 65.40 1h54 h THR 298 Cb 0.57 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 1h54 h THR 298 CO 0.10 0.09 0.06 0.00 -0.25 0.00 0.00 175.52 175.52 1h54 h ALA 299 N 1.91 0.52 -0.52 6.62 0.00 -1.23 -1.16 119.26 125.40 1h54 h ALA 299 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1h54 h ALA 299 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1h54 h ALA 299 CO 0.01 0.23 -0.15 0.82 0.00 0.00 0.00 179.25 180.16 1h54 h ILE 300 N 0.49 1.27 -0.56 0.00 2.04 -1.35 -2.32 117.51 117.08 1h54 h ILE 300 Ca 0.12 -1.30 -0.06 0.00 1.00 0.00 0.00 64.86 64.61 1h54 h ILE 300 Cb 0.37 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1h54 h ILE 300 CO 0.01 0.46 0.10 -0.50 0.00 0.00 0.00 178.15 178.21 1h54 h TRP 301 N 0.88 0.92 -0.86 1.37 4.06 -1.33 -1.85 115.95 119.14 1h54 h TRP 301 Ca 0.13 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 1h54 h TRP 301 Cb 0.71 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.57 1h54 h TRP 301 CO 0.05 0.79 0.49 0.00 -3.56 0.00 0.00 178.44 176.20 1h54 h ALA 302 N 1.26 1.23 -0.34 1.49 0.00 -0.97 -1.77 119.26 120.17 1h54 h ALA 302 Ca 0.18 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1h54 h ALA 302 Cb 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1h54 h ALA 302 CO 0.01 0.63 -0.15 1.96 0.00 0.00 0.00 179.25 181.70 1h54 h GLN 303 N 1.20 0.60 -0.54 0.00 4.20 -0.87 -1.86 115.11 117.85 1h54 h GLN 303 Ca 0.31 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1h54 h GLN 303 Cb 0.00 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1h54 h GLN 303 CO -0.05 0.73 0.00 0.00 -0.67 0.00 0.00 178.83 178.84 1h54 h ARG 304 N 0.54 0.91 -0.06 1.46 3.08 -0.55 -2.86 114.38 116.91 1h54 h ARG 304 Ca 0.09 -0.26 -0.14 0.00 0.07 0.00 0.00 59.98 59.74 1h54 h ARG 304 Cb 0.57 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1h54 h ARG 304 CO 0.04 0.90 -0.59 -1.49 -1.07 0.00 0.00 179.97 177.76 1h54 h TRP 305 N 0.84 0.23 -0.44 3.04 4.06 -1.05 -3.06 115.95 119.58 1h54 h TRP 305 Ca 0.16 -0.09 0.04 0.00 2.06 0.00 0.00 58.89 61.06 1h54 h TRP 305 Cb 0.50 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.59 1h54 h TRP 305 CO 0.03 0.73 0.30 0.93 -3.56 0.00 0.00 178.44 176.86 1h54 h GLU 306 N 0.14 0.43 -0.15 0.49 4.39 -1.11 0.15 114.58 118.93 1h54 h GLU 306 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1h54 h GLU 306 Cb 1.08 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1h54 h GLU 306 CO 0.09 0.29 0.00 1.63 -1.16 0.00 0.00 179.01 179.86 1h54 n LYS 307 N -4.48 2.19 0.00 2.33 5.02 -1.16 -4.61 118.16 117.45 1h54 n LYS 307 Ca 0.05 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 1h54 n LYS 307 Cb 0.18 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1h54 n LYS 307 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1h54 n SER 308 N 1.06 0.00 -4.58 4.39 3.41 -0.86 -4.23 113.62 112.81 1h54 n SER 308 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.34 1h54 n SER 308 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1h54 n SER 308 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1h54 n ASP 309 N 0.00 1.06 -3.95 4.04 2.03 0.48 -4.41 116.55 115.80 1h54 n ASP 309 Ca 0.00 1.11 -0.30 0.00 0.52 0.00 0.00 54.79 56.12 1h54 n ASP 309 Cb 0.00 -1.29 -0.16 0.00 -0.72 0.00 0.00 41.12 38.95 1h54 n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1h54 s VAL 310 N -1.16 1.46 -0.23 5.18 1.01 -1.26 -1.66 120.40 123.73 1h54 s VAL 310 Ca 0.60 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 1h54 s VAL 310 Cb -0.65 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1h54 s VAL 310 CO 0.59 0.08 0.11 -0.69 0.00 0.00 0.00 175.10 175.19 1h54 s VAL 311 N 1.46 4.91 -0.10 2.92 1.01 0.17 -4.82 120.40 125.96 1h54 s VAL 311 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1h54 s VAL 311 Cb -0.17 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1h54 s VAL 311 CO -0.08 0.36 -0.21 -0.63 0.00 0.00 0.00 175.10 174.54 1h54 s ILE 312 N 1.16 1.88 -0.10 2.22 1.01 -1.26 -0.53 121.20 125.57 1h54 s ILE 312 Ca 0.06 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1h54 s ILE 312 Cb -0.14 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 1h54 s ILE 312 CO 0.04 0.52 -0.12 -0.54 0.00 0.00 0.00 174.94 174.84 1h54 s LYS 313 N 0.48 3.10 0.00 2.79 -0.14 -0.41 -4.54 119.74 121.02 1h54 s LYS 313 Ca -0.16 -0.66 0.00 0.00 -1.36 0.00 0.00 55.97 53.78 1h54 s LYS 313 Cb -0.17 -2.58 0.00 0.00 -1.68 0.00 0.00 37.83 33.40 1h54 s LYS 313 CO 0.06 0.37 0.00 0.41 -0.76 0.00 0.00 175.35 175.44 1h54 n GLY 314 N 3.06 0.69 2.64 -3.33 0.00 -1.26 -0.60 105.19 106.40 1h54 n GLY 314 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1h54 n GLY 314 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h54 n ASP 315 N 0.00 -2.44 -0.09 1.61 -0.08 -1.26 -4.64 116.55 109.65 1h54 n ASP 315 Ca 0.00 -3.02 0.10 0.00 -1.51 0.00 0.00 54.79 50.36 1h54 n ASP 315 Cb 0.00 1.26 0.46 0.00 2.34 0.00 0.00 41.12 45.18 1h54 n ASP 315 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1h54 h ASP 316 N 4.46 0.44 -0.60 1.67 3.32 -1.94 -1.31 116.42 122.47 1h54 h ASP 316 Ca -0.02 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1h54 h ASP 316 Cb 1.02 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 1h54 h ASP 316 CO 0.25 0.28 0.39 -0.33 -1.72 0.00 0.00 179.24 178.12 1h54 h GLU 317 N 0.50 0.78 -0.28 3.56 5.08 -1.95 -1.89 114.58 120.38 1h54 h GLU 317 Ca 0.27 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 1h54 h GLU 317 Cb 0.41 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1h54 h GLU 317 CO -0.08 0.52 -0.43 0.77 -1.00 0.00 0.00 179.01 178.79 1h54 h SER 318 N 0.80 0.76 -0.58 1.42 0.02 -1.71 -2.16 113.55 112.10 1h54 h SER 318 Ca 0.22 -0.36 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1h54 h SER 318 Cb -0.08 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.20 1h54 h SER 318 CO -0.06 1.09 0.32 -0.61 -1.14 0.00 0.00 176.83 176.44 1h54 h GLN 319 N 0.57 0.60 -0.27 3.45 5.75 -0.78 -0.93 115.11 123.50 1h54 h GLN 319 Ca 0.04 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 1h54 h GLN 319 Cb 0.98 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.39 1h54 h GLN 319 CO 0.09 0.40 -0.27 0.37 -2.65 0.00 0.00 178.83 176.77 1h54 h GLN 320 N 0.62 0.67 0.00 1.69 4.15 -1.32 -2.97 115.11 117.94 1h54 h GLN 320 Ca 0.25 -0.35 0.01 0.00 0.77 0.00 0.00 58.65 59.33 1h54 h GLN 320 Cb 0.11 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1h54 h GLN 320 CO -0.15 0.96 -0.06 0.78 -1.93 0.00 0.00 178.83 178.43 1h54 h GLY 321 N 0.40 -0.06 1.00 2.39 0.00 -0.96 0.23 103.07 106.06 1h54 h GLY 321 Ca 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1h54 h GLY 321 CO 0.07 -0.07 0.33 -2.22 0.00 0.00 0.00 176.54 174.65 1h54 h ILE 322 N -0.10 1.21 -0.57 2.60 1.08 -1.27 -0.23 117.51 120.22 1h54 h ILE 322 Ca 0.02 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 1h54 h ILE 322 Cb 0.13 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 1h54 h ILE 322 CO -0.06 0.23 0.31 0.03 -0.69 0.00 0.00 178.15 177.98 1h54 h ARG 323 N 0.87 0.80 -0.84 2.37 3.08 -1.36 -2.02 114.38 117.29 1h54 h ARG 323 Ca 0.22 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1h54 h ARG 323 Cb 0.07 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1h54 h ARG 323 CO -0.03 0.61 0.42 0.35 -1.07 0.00 0.00 179.97 180.25 1h54 h PHE 324 N 0.77 1.18 0.52 3.04 3.57 -0.48 0.55 116.94 126.10 1h54 h PHE 324 Ca 0.20 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1h54 h PHE 324 Cb 0.05 -0.37 0.01 0.00 2.79 0.00 0.00 35.95 38.42 1h54 h PHE 324 CO -0.01 0.84 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.75 1h54 h ASN 325 N 1.18 -0.59 -0.63 0.41 2.35 -0.63 -1.72 115.58 115.96 1h54 h ASN 325 Ca 0.29 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 56.00 1h54 h ASN 325 Cb 0.09 0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1h54 h ASN 325 CO -0.04 -0.42 0.18 -0.07 -1.65 0.00 0.00 177.43 175.44 1h54 h LEU 326 N -0.70 0.95 0.26 1.61 3.38 -1.23 -1.52 115.31 118.06 1h54 h LEU 326 Ca -0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1h54 h LEU 326 Cb 0.54 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1h54 h LEU 326 CO 0.12 0.90 -0.13 0.15 0.09 0.00 0.00 178.44 179.57 1h54 h PHE 327 N 0.97 -0.33 0.00 1.13 3.57 -0.75 -0.23 116.94 121.30 1h54 h PHE 327 Ca 0.21 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1h54 h PHE 327 Cb 0.31 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1h54 h PHE 327 CO 0.02 -0.18 -0.33 1.96 -2.23 0.00 0.00 178.31 177.55 1h54 h GLN 328 N -0.38 0.00 0.20 1.11 1.08 -1.28 -0.13 115.11 115.72 1h54 h GLN 328 Ca -0.04 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1h54 h GLN 328 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1h54 h GLN 328 CO 0.06 0.33 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.10 1h54 h LEU 329 N 0.00 -0.23 -1.41 1.46 3.38 -1.02 -1.78 115.31 115.71 1h54 h LEU 329 Ca -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1h54 h LEU 329 Cb 0.68 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1h54 h LEU 329 CO 0.04 0.18 0.20 -0.26 0.09 0.00 0.00 178.44 178.69 1h54 h PHE 330 N -0.67 0.59 -0.03 1.13 0.04 -0.92 0.58 116.94 117.66 1h54 h PHE 330 Ca -0.03 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 1h54 h PHE 330 Cb 0.48 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1h54 h PHE 330 CO 0.04 0.44 -0.36 0.77 -0.60 0.00 0.00 178.31 178.61 1h54 h SER 331 N 0.60 0.06 0.06 2.17 0.02 -0.96 -3.16 113.55 112.34 1h54 h SER 331 Ca 0.15 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 1h54 h SER 331 Cb 0.08 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.61 1h54 h SER 331 CO -0.02 0.42 -0.40 0.74 -1.14 0.00 0.00 176.83 176.43 1h54 h THR 332 N 0.05 1.63 -2.82 -2.27 2.02 -0.29 -0.83 112.91 110.40 1h54 h THR 332 Ca 0.00 -2.35 -0.15 0.00 0.77 0.00 0.00 66.41 64.68 1h54 h THR 332 Cb 0.67 3.19 -0.27 0.00 -1.74 0.00 0.00 68.15 69.99 1h54 h THR 332 CO 0.05 0.64 -0.37 -0.47 0.37 0.00 0.00 175.52 175.74 1h54 s TYR 333 N -2.49 -0.47 -0.10 3.16 5.04 0.07 -4.11 117.35 118.45 1h54 s TYR 333 Ca -0.16 1.06 0.23 0.00 -2.44 0.00 0.00 57.07 55.76 1h54 s TYR 333 Cb -0.01 0.17 0.45 0.00 0.35 0.00 0.00 41.96 42.92 1h54 s TYR 333 CO 0.76 -0.28 1.16 0.98 -1.34 0.00 0.00 175.55 176.83 1h54 n TYR 334 N 4.08 0.45 -1.97 4.97 9.36 -1.25 -4.12 117.16 128.67 1h54 n TYR 334 Ca -0.23 -1.10 -0.18 0.00 3.32 0.00 0.00 57.90 59.72 1h54 n TYR 334 Cb 0.55 -0.19 -0.04 0.00 -0.63 0.00 0.00 39.34 39.03 1h54 n TYR 334 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1h54 n GLY 335 N -0.00 0.56 0.10 2.98 0.00 -1.26 -4.87 105.19 102.69 1h54 n GLY 335 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1h54 n GLY 335 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h54 h GLU 336 N 0.00 0.00 -3.95 1.61 4.39 -1.94 -3.43 114.58 111.26 1h54 h GLU 336 Ca -0.39 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.75 1h54 h GLU 336 Cb 1.23 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.49 1h54 h GLU 336 CO 0.51 0.81 -0.78 0.34 -1.16 0.00 0.00 179.01 178.74 1h54 s ASP 337 N -6.72 3.32 0.32 1.42 -1.08 -1.26 -5.00 116.67 107.67 1h54 s ASP 337 Ca 0.00 -0.97 0.22 0.00 -0.52 0.00 0.00 52.55 51.28 1h54 s ASP 337 Cb 0.11 -0.88 1.18 0.00 -1.46 0.00 0.00 42.92 41.87 1h54 s ASP 337 CO 0.79 -0.27 1.67 0.00 0.52 0.00 0.00 175.17 177.88 1h54 n ALA 338 N 4.87 1.06 0.79 3.66 0.00 -1.26 -1.36 120.51 128.27 1h54 n ALA 338 Ca -0.10 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1h54 n ALA 338 Cb 0.46 -1.32 0.34 0.00 0.00 0.00 0.00 19.45 18.92 1h54 n ALA 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h54 n ARG 339 N -2.26 0.14 -3.04 0.00 1.74 -1.26 -4.16 116.66 107.82 1h54 n ARG 339 Ca -0.01 0.07 -0.17 0.00 -0.77 0.00 0.00 57.85 56.96 1h54 n ARG 339 Cb 0.04 -1.62 0.01 0.00 -1.02 0.00 0.00 32.46 29.88 1h54 n ARG 339 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1h54 s LEU 340 N -3.68 3.59 0.00 0.55 1.43 -0.47 -4.99 118.68 115.11 1h54 s LEU 340 Ca 0.10 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1h54 s LEU 340 Cb 0.16 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1h54 s LEU 340 CO 0.65 -0.81 0.00 -3.20 0.23 0.00 0.00 176.35 173.22 1h54 n ASN 341 N -1.87 0.00 -3.96 2.29 5.15 -1.26 -4.94 115.26 110.66 1h54 n ASN 341 Ca 0.09 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.76 1h54 n ASN 341 Cb 0.59 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.69 1h54 n ASN 341 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1h54 s ILE 342 N -0.33 1.95 0.52 -1.44 1.01 -1.26 -4.70 121.20 116.95 1h54 s ILE 342 Ca 0.00 -2.03 -0.17 0.00 0.00 0.00 0.00 60.65 58.45 1h54 s ILE 342 Cb 0.00 -2.40 -0.08 0.00 0.01 0.00 0.00 42.46 39.99 1h54 s ILE 342 CO 0.00 -0.53 1.00 -0.83 0.00 0.00 0.00 174.94 174.57 1h54 s GLY 343 N 1.09 2.14 0.52 6.18 0.00 -1.26 -4.68 107.32 111.31 1h54 s GLY 343 Ca 0.08 0.26 0.28 0.00 0.00 0.00 0.00 44.72 45.34 1h54 s GLY 343 CO -0.11 0.55 1.91 -0.56 0.00 0.00 0.00 173.10 174.90 1h54 h PRO 344 N 0.99 0.06 -0.12 2.90 0.13 -1.70 -1.75 132.00 132.51 1h54 h PRO 344 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1h54 h PRO 344 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1h54 h PRO 344 CO 0.61 0.04 0.00 1.63 -0.23 0.00 0.00 178.00 180.05 1h54 n LYS 345 N -4.33 1.31 0.00 0.86 5.02 -0.93 -0.63 118.16 119.45 1h54 n LYS 345 Ca 0.16 -1.41 0.00 0.00 -2.02 0.00 0.00 58.31 55.05 1h54 n LYS 345 Cb 0.82 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 1h54 n LYS 345 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h54 n GLY 346 N 0.45 3.18 1.79 0.72 0.00 -0.66 -0.82 105.19 109.84 1h54 n GLY 346 Ca 0.07 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1h54 n GLY 346 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h54 n PHE 347 N 14.00 2.25 0.32 1.61 3.01 -1.26 -4.60 117.46 132.78 1h54 n PHE 347 Ca 0.00 -2.09 0.05 0.00 1.01 0.00 0.00 57.45 56.43 1h54 n PHE 347 Cb 0.00 -0.77 0.06 0.00 -0.01 0.00 0.00 39.48 38.76 1h54 n PHE 347 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1h54 n THR 348 N -1.02 0.19 -1.22 4.37 -2.24 -0.00 -3.25 114.28 111.10 1h54 n THR 348 Ca 0.47 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1h54 n THR 348 Cb 1.07 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 70.38 1h54 n THR 348 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h54 n GLY 349 N 0.55 -1.31 0.00 3.38 0.00 -1.26 -4.21 105.19 102.34 1h54 n GLY 349 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1h54 n GLY 349 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1h54 n GLU 350 N -0.09 2.70 -1.48 1.61 0.28 -1.26 -4.76 120.64 117.64 1h54 n GLU 350 Ca 0.00 0.00 -0.49 0.00 -0.16 0.00 0.00 57.16 56.51 1h54 n GLU 350 Cb 0.00 -0.97 -0.06 0.00 1.43 0.00 0.00 31.44 31.83 1h54 n GLU 350 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1h54 n LYS 351 N -2.08 1.30 -4.35 3.44 5.02 -1.26 -2.13 118.16 118.10 1h54 n LYS 351 Ca 0.00 0.35 -0.34 0.00 -2.02 0.00 0.00 58.31 56.31 1h54 n LYS 351 Cb 0.47 -2.65 -0.09 0.00 -0.02 0.00 0.00 35.03 32.74 1h54 n LYS 351 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1h54 n TYR 352 N 10.31 -1.27 0.14 2.13 4.02 -1.26 -4.86 117.16 126.35 1h54 n TYR 352 Ca 0.38 0.64 0.02 0.00 -0.01 0.00 0.00 57.90 58.93 1h54 n TYR 352 Cb 0.28 -2.65 0.02 0.00 -0.02 0.00 0.00 39.34 36.97 1h54 n TYR 352 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h54 n GLY 353 N -2.18 -0.84 0.00 2.72 0.00 -0.91 -4.61 105.19 99.38 1h54 n GLY 353 Ca -0.22 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.75 1h54 n GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h54 n GLY 354 N 0.18 -0.02 3.91 -0.02 0.00 -1.26 -2.20 105.19 105.77 1h54 n GLY 354 Ca 0.02 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 1h54 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h54 s ALA 355 N -2.04 2.95 -0.13 4.61 0.00 -1.26 -4.57 121.76 121.32 1h54 s ALA 355 Ca 0.04 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 1h54 s ALA 355 Cb 0.08 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 1h54 s ALA 355 CO 0.43 -1.35 0.22 0.99 0.00 0.00 0.00 175.76 176.05 1h54 s THR 356 N -3.35 5.36 0.35 0.00 2.01 -0.12 -4.12 115.64 115.77 1h54 s THR 356 Ca 0.60 0.40 0.06 0.00 0.31 0.00 0.00 61.69 63.06 1h54 s THR 356 Cb -0.11 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 1h54 s THR 356 CO 0.47 0.50 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.59 1h54 s TYR 357 N -0.25 2.23 -0.93 4.92 1.51 -1.26 -2.71 117.35 120.86 1h54 s TYR 357 Ca 0.15 -0.72 0.07 0.00 -1.01 0.00 0.00 57.07 55.56 1h54 s TYR 357 Cb -0.13 -1.44 0.33 0.00 -0.11 0.00 0.00 41.96 40.62 1h54 s TYR 357 CO 0.04 0.32 1.23 -2.67 -1.11 0.00 0.00 175.55 173.36 1h54 n TRP 358 N -0.78 0.08 0.03 2.71 4.27 -1.26 -2.45 117.44 120.04 1h54 n TRP 358 Ca -0.04 0.04 0.04 0.00 -3.89 0.00 0.00 57.50 53.64 1h54 n TRP 358 Cb 0.66 -0.56 0.43 0.00 -1.36 0.00 0.00 31.31 30.48 1h54 n TRP 358 CO 0.00 0.00 0.00 -0.44 -2.29 0.00 0.00 177.69 174.96 1h54 h ASP 359 N 0.00 0.42 -0.24 -0.67 3.32 -1.94 -1.76 116.42 115.55 1h54 h ASP 359 Ca 0.00 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 1h54 h ASP 359 Cb 0.10 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1h54 h ASP 359 CO 0.00 0.33 -0.39 0.71 -1.72 0.00 0.00 179.24 178.16 1h54 h THR 360 N 0.49 1.28 -0.29 0.35 1.35 -1.82 -0.20 112.91 114.07 1h54 h THR 360 Ca 0.13 -1.57 -0.19 0.00 -0.55 0.00 0.00 66.41 64.23 1h54 h THR 360 Cb -0.01 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1h54 h THR 360 CO -0.02 0.51 -0.55 -0.33 -0.25 0.00 0.00 175.52 174.88 1h54 h GLU 361 N 0.64 0.89 0.05 4.72 3.07 -1.70 0.13 114.58 122.38 1h54 h GLU 361 Ca 0.05 -0.56 -0.25 0.00 -0.50 0.00 0.00 59.36 58.09 1h54 h GLU 361 Cb 0.95 0.07 0.02 0.00 -0.84 0.00 0.00 28.75 28.95 1h54 h GLU 361 CO 0.09 1.20 -1.02 0.00 -1.40 0.00 0.00 179.01 177.88 1h54 h ALA 362 N 0.68 0.06 0.00 3.43 0.00 -1.30 -3.38 119.26 118.75 1h54 h ALA 362 Ca 0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1h54 h ALA 362 Cb 1.16 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1h54 h ALA 362 CO 0.12 0.61 -1.09 1.19 0.00 0.00 0.00 179.25 180.08 1h54 n PHE 363 N -3.91 0.00 0.01 0.00 3.01 -0.11 -4.66 117.46 111.79 1h54 n PHE 363 Ca -0.12 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.22 1h54 n PHE 363 Cb 0.88 -0.07 0.01 0.00 -0.01 0.00 0.00 39.48 40.29 1h54 n PHE 363 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1h54 h ALA 364 N 0.04 0.56 0.11 4.37 0.00 -1.22 -3.32 119.26 119.80 1h54 h ALA 364 Ca -0.04 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.33 1h54 h ALA 364 Cb 1.07 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1h54 h ALA 364 CO -0.00 0.71 -0.31 0.35 0.00 0.00 0.00 179.25 180.00 1h54 h PHE 365 N 0.42 -0.84 -0.74 0.00 3.57 -0.94 -1.15 116.94 117.27 1h54 h PHE 365 Ca -0.02 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.64 1h54 h PHE 365 Cb 1.24 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 40.28 1h54 h PHE 365 CO 0.06 -0.41 0.49 -1.00 -2.23 0.00 0.00 178.31 175.21 1h54 h PRO 366 N -0.52 0.45 0.13 6.41 0.13 -1.83 -0.57 132.00 136.19 1h54 h PRO 366 Ca 0.03 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1h54 h PRO 366 Cb 0.56 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1h54 h PRO 366 CO -0.19 0.30 -0.06 0.28 -0.23 0.00 0.00 178.00 178.10 1h54 h VAL 367 N 0.46 1.03 -0.31 1.56 2.07 -1.49 -3.02 116.25 116.55 1h54 h VAL 367 Ca 0.36 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1h54 h VAL 367 Cb 0.74 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1h54 h VAL 367 CO -0.12 0.23 0.14 1.88 0.02 0.00 0.00 177.57 179.73 1h54 h TYR 368 N -0.69 0.42 -0.62 1.57 -1.99 -0.85 -1.92 116.97 112.88 1h54 h TYR 368 Ca -0.02 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1h54 h TYR 368 Cb 0.51 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 39.08 1h54 h TYR 368 CO 0.08 0.32 0.31 -0.07 -0.00 0.00 0.00 178.16 178.80 1h54 h LEU 369 N 0.44 0.78 0.00 3.88 3.38 -1.14 -2.29 115.31 120.36 1h54 h LEU 369 Ca 0.11 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1h54 h LEU 369 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1h54 h LEU 369 CO -0.01 0.65 -0.50 1.23 0.09 0.00 0.00 178.44 179.90 1h54 h GLY 370 N 0.95 0.00 -0.07 0.83 0.00 -1.22 -3.40 103.07 100.16 1h54 h GLY 370 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1h54 h GLY 370 CO -0.03 0.00 -0.04 0.29 0.00 0.00 0.00 176.54 176.76 1h54 n ILE 371 N -3.15 0.78 -4.17 2.60 -5.35 -1.04 -0.76 119.36 108.27 1h54 n ILE 371 Ca 0.01 -0.83 -0.10 0.00 -0.27 0.00 0.00 62.75 61.56 1h54 n ILE 371 Cb 0.70 0.54 -0.10 0.00 -1.74 0.00 0.00 39.64 39.03 1h54 n ILE 371 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1h54 s THR 372 N -0.91 0.36 0.40 7.28 -4.23 -0.87 -4.32 115.64 113.34 1h54 s THR 372 Ca 0.04 -1.91 -0.27 0.00 -1.18 0.00 0.00 61.69 58.37 1h54 s THR 372 Cb 0.04 -1.92 -0.10 0.00 1.34 0.00 0.00 72.50 71.85 1h54 s THR 372 CO 0.00 -0.62 1.44 -1.81 -0.54 0.00 0.00 174.62 173.10 1h54 s ASP 373 N -3.06 6.24 0.31 3.99 -0.00 -1.26 -4.80 116.67 118.09 1h54 s ASP 373 Ca 0.19 2.95 0.12 0.00 -0.00 0.00 0.00 52.55 55.81 1h54 s ASP 373 Cb 0.07 -2.66 0.65 0.00 -0.00 0.00 0.00 42.92 40.98 1h54 s ASP 373 CO -0.01 -0.93 1.25 -0.81 -0.00 0.00 0.00 175.17 174.67 1h54 n PRO 374 N 0.27 0.08 0.21 8.23 -0.04 -1.26 -1.19 135.00 141.30 1h54 n PRO 374 Ca 0.02 0.55 0.06 0.00 -0.04 0.00 0.00 63.50 64.10 1h54 n PRO 374 Cb 0.41 -2.09 0.47 0.00 -0.04 0.00 0.00 33.50 32.24 1h54 n PRO 374 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1h54 h LYS 375 N 0.00 0.00 0.22 0.54 3.64 -1.99 -2.26 116.57 116.72 1h54 h LYS 375 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1h54 h LYS 375 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1h54 h LYS 375 CO 0.00 0.28 -0.10 0.28 -2.27 0.00 0.00 179.45 177.64 1h54 h VAL 376 N 0.00 0.86 0.00 2.00 2.07 -1.45 -2.57 116.25 117.16 1h54 h VAL 376 Ca -0.00 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 1h54 h VAL 376 Cb 0.57 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1h54 h VAL 376 CO 0.04 0.15 -0.26 0.71 0.02 0.00 0.00 177.57 178.22 1h54 h THR 377 N -0.67 1.01 -0.78 2.57 1.35 -1.73 -2.18 112.91 112.48 1h54 h THR 377 Ca -0.03 -0.96 -0.02 0.00 -0.55 0.00 0.00 66.41 64.85 1h54 h THR 377 Cb 0.47 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 1h54 h THR 377 CO 0.05 0.26 0.41 -0.09 -0.25 0.00 0.00 175.52 175.89 1h54 h ARG 378 N 0.00 1.10 -0.20 4.72 2.43 -1.34 -1.76 114.38 119.33 1h54 h ARG 378 Ca -0.00 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1h54 h ARG 378 Cb 0.52 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1h54 h ARG 378 CO 0.03 0.83 -0.22 -0.91 -1.51 0.00 0.00 179.97 178.20 1h54 h ASN 379 N 1.09 0.35 0.49 -3.80 -0.26 -0.98 -1.33 115.58 111.14 1h54 h ASN 379 Ca 0.27 -0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 55.86 1h54 h ASN 379 Cb 0.07 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1h54 h ASN 379 CO -0.04 0.58 -0.23 -0.07 -1.06 0.00 0.00 177.43 176.61 1h54 h LEU 380 N 0.33 0.00 0.00 1.61 4.07 -1.01 -1.39 115.31 118.92 1h54 h LEU 380 Ca 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1h54 h LEU 380 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 1h54 h LEU 380 CO 0.04 0.23 -0.00 -0.07 -1.08 0.00 0.00 178.44 177.56 1h54 h LEU 381 N 0.00 -0.01 -2.49 1.67 3.38 -0.56 -3.27 115.31 114.03 1h54 h LEU 381 Ca -0.00 -0.87 0.01 0.00 0.09 0.00 0.00 57.88 57.11 1h54 h LEU 381 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1h54 h LEU 381 CO 0.03 0.90 0.04 0.24 0.09 0.00 0.00 178.44 179.74 1h54 h MET 382 N -0.94 0.00 -0.69 1.13 2.86 -1.10 -1.45 114.93 114.73 1h54 h MET 382 Ca -0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1h54 h MET 382 Cb 0.88 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.47 1h54 h MET 382 CO 0.00 0.00 0.34 -0.92 1.06 0.00 0.00 176.91 177.39 1h54 h TYR 383 N 0.00 0.60 -0.07 -0.22 3.20 -1.30 0.12 116.97 119.30 1h54 h TYR 383 Ca 0.02 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.67 1h54 h TYR 383 Cb 0.10 -0.16 0.02 0.00 1.54 0.00 0.00 36.73 38.22 1h54 h TYR 383 CO 0.00 0.21 -0.89 0.00 -1.64 0.00 0.00 178.16 175.84 1h54 h ARG 384 N 0.57 0.73 -0.80 1.82 2.47 -1.41 -3.09 114.38 114.69 1h54 h ARG 384 Ca 0.34 -0.69 0.07 0.00 -1.26 0.00 0.00 59.98 58.44 1h54 h ARG 384 Cb 0.36 0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 28.79 1h54 h ARG 384 CO -0.27 1.28 0.47 -0.92 0.56 0.00 0.00 179.97 181.09 1h54 h TYR 385 N 0.43 0.85 0.00 3.04 3.20 -1.20 -0.48 116.97 122.81 1h54 h TYR 385 Ca -0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1h54 h TYR 385 Cb 1.54 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1h54 h TYR 385 CO 0.10 0.39 0.00 1.63 -1.64 0.00 0.00 178.16 178.64 1h54 n LYS 386 N -4.71 0.02 -0.45 1.82 4.01 0.37 -2.48 118.16 116.74 1h54 n LYS 386 Ca 0.12 0.26 0.05 0.00 -0.51 0.00 0.00 58.31 58.23 1h54 n LYS 386 Cb 0.22 -1.54 0.20 0.00 -0.51 0.00 0.00 35.03 33.40 1h54 n LYS 386 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1h54 n GLN 387 N -1.58 1.96 -0.37 1.97 6.02 -0.21 -4.69 117.38 120.47 1h54 n GLN 387 Ca 0.03 -2.92 -0.02 0.00 -0.01 0.00 0.00 57.00 54.08 1h54 n GLN 387 Cb 0.18 -1.70 0.11 0.00 1.02 0.00 0.00 30.24 29.84 1h54 n GLN 387 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1h54 h LEU 388 N 0.94 1.15 -0.86 1.08 5.85 -1.22 -2.31 115.31 119.94 1h54 h LEU 388 Ca 0.06 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.82 1h54 h LEU 388 Cb 1.30 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 1h54 h LEU 388 CO 0.17 0.84 0.52 0.44 -0.34 0.00 0.00 178.44 180.07 1h54 h ASP 389 N 1.35 0.79 0.09 1.25 3.32 -1.85 0.02 116.42 121.39 1h54 h ASP 389 Ca 0.36 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.35 1h54 h ASP 389 Cb -0.14 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1h54 h ASP 389 CO -0.08 0.48 -0.30 1.23 -1.72 0.00 0.00 179.24 178.85 1h54 h GLY 390 N 0.91 0.36 1.42 2.75 0.00 -1.66 -2.64 103.07 104.21 1h54 h GLY 390 Ca 0.40 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 1h54 h GLY 390 CO -0.21 0.27 -0.05 0.00 0.00 0.00 0.00 176.54 176.55 1h54 h ALA 391 N 1.40 1.13 -0.39 3.60 0.00 -0.62 -0.57 119.26 123.81 1h54 h ALA 391 Ca 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1h54 h ALA 391 Cb 0.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1h54 h ALA 391 CO 0.05 0.55 0.07 1.88 0.00 0.00 0.00 179.25 181.81 1h54 h TYR 392 N 0.65 0.67 -0.56 0.00 0.05 -0.90 -1.20 116.97 115.70 1h54 h TYR 392 Ca 0.12 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1h54 h TYR 392 Cb 0.48 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 1h54 h TYR 392 CO 0.02 0.67 0.37 0.82 -1.05 0.00 0.00 178.16 178.98 1h54 h ILE 393 N 0.49 1.15 -0.50 -2.88 2.04 -1.12 0.84 117.51 117.53 1h54 h ILE 393 Ca 0.12 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.73 1h54 h ILE 393 Cb 0.35 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1h54 h ILE 393 CO 0.01 0.14 0.30 0.78 0.00 0.00 0.00 178.15 179.38 1h54 h ASN 394 N 0.76 0.48 -0.39 1.72 -0.26 -0.93 0.45 115.58 117.41 1h54 h ASN 394 Ca 0.20 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.92 1h54 h ASN 394 Cb -0.08 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.07 1h54 h ASN 394 CO -0.04 0.34 0.15 0.00 -1.06 0.00 0.00 177.43 176.82 1h54 h ALA 395 N 1.22 0.51 0.00 -0.83 0.00 -0.84 -2.54 119.26 116.79 1h54 h ALA 395 Ca 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1h54 h ALA 395 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1h54 h ALA 395 CO -0.09 0.13 -0.11 1.96 0.00 0.00 0.00 179.25 181.14 1h54 h GLN 396 N 0.49 0.00 0.00 0.00 4.20 -0.35 -0.02 115.11 119.43 1h54 h GLN 396 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1h54 h GLN 396 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1h54 h GLN 396 CO -0.01 0.11 0.00 0.93 -0.67 0.00 0.00 178.83 179.19 1h54 h GLU 397 N 0.00 0.00 -0.21 1.46 4.39 -0.47 -1.93 114.58 117.82 1h54 h GLU 397 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1h54 h GLU 397 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1h54 h GLU 397 CO 0.01 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.90 1h54 n GLN 398 N -2.55 2.70 -2.08 2.33 6.02 -0.23 -4.15 117.38 119.42 1h54 n GLN 398 Ca 0.01 -2.30 -0.15 0.00 -0.01 0.00 0.00 57.00 54.56 1h54 n GLN 398 Cb 0.23 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 1h54 n GLN 398 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h54 n GLY 399 N -0.26 0.18 3.57 1.08 0.00 -0.72 -5.01 105.19 104.03 1h54 n GLY 399 Ca 0.14 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1h54 n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h54 s LEU 400 N -4.04 3.01 0.80 0.99 1.43 -0.19 -4.98 118.68 115.70 1h54 s LEU 400 Ca 0.00 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1h54 s LEU 400 Cb 0.00 -1.77 0.13 0.00 0.03 0.00 0.00 46.19 44.58 1h54 s LEU 400 CO 0.00 0.15 1.12 -0.54 0.23 0.00 0.00 176.35 177.31 1h54 s LYS 401 N -2.43 1.49 2.63 1.70 1.02 -1.26 -3.44 119.74 119.44 1h54 s LYS 401 Ca 0.22 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.67 1h54 s LYS 401 Cb -0.10 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1h54 s LYS 401 CO 0.14 -1.73 0.00 0.41 -0.92 0.00 0.00 175.35 173.25 1h54 n GLY 402 N -3.21 -0.05 3.54 -3.33 0.00 -1.26 -3.80 105.19 97.08 1h54 n GLY 402 Ca 0.13 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 1h54 n GLY 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h54 s ALA 403 N -1.58 3.03 -0.33 4.61 0.00 -0.34 -4.47 121.76 122.67 1h54 s ALA 403 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1h54 s ALA 403 Cb 0.00 -1.46 0.10 0.00 0.00 0.00 0.00 23.12 21.76 1h54 s ALA 403 CO 0.00 0.36 0.05 -1.17 0.00 0.00 0.00 175.76 175.00 1h54 s LEU 404 N -0.11 4.36 0.39 0.00 2.96 -0.54 -4.51 118.68 121.23 1h54 s LEU 404 Ca 0.02 -2.05 -0.27 0.00 -0.22 0.00 0.00 54.13 51.62 1h54 s LEU 404 Cb -0.13 -1.52 -0.09 0.00 0.50 0.00 0.00 46.19 44.95 1h54 s LEU 404 CO 0.03 -0.37 1.30 -0.36 -1.32 0.00 0.00 176.35 175.63 1h54 s PHE 405 N 1.01 2.86 0.78 5.38 0.08 -1.26 -4.33 117.98 122.49 1h54 s PHE 405 Ca 0.10 1.41 -0.11 0.00 0.12 0.00 0.00 56.93 58.45 1h54 s PHE 405 Cb -0.19 -3.67 0.06 0.00 -0.57 0.00 0.00 43.02 38.65 1h54 s PHE 405 CO -0.10 -2.05 1.09 -1.25 -0.10 0.00 0.00 175.22 172.81 1h54 s PRO 406 N -2.16 2.21 -0.03 0.24 0.04 -1.26 -4.81 135.00 129.23 1h54 s PRO 406 Ca 0.55 1.15 -0.20 0.00 0.04 0.00 0.00 61.00 62.54 1h54 s PRO 406 Cb -0.38 -1.89 -0.32 0.00 0.04 0.00 0.00 34.50 31.94 1h54 s PRO 406 CO 0.50 -1.67 0.91 1.98 0.04 0.00 0.00 177.00 178.76 1h54 h MET 407 N -1.15 0.35 -4.12 4.56 4.05 -1.89 -3.45 114.93 113.28 1h54 h MET 407 Ca -0.44 -0.61 -0.47 0.00 -0.28 0.00 0.00 59.70 57.91 1h54 h MET 407 Cb 1.23 0.23 -0.35 0.00 -0.80 0.00 0.00 31.60 31.90 1h54 h MET 407 CO 0.51 1.29 -0.79 0.08 0.23 0.00 0.00 176.91 178.24 1h54 s VAL 408 N -2.47 0.76 0.12 -5.77 1.01 -1.26 -4.29 120.40 108.50 1h54 s VAL 408 Ca -0.13 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1h54 s VAL 408 Cb 0.02 -0.78 0.05 0.00 0.00 0.00 0.00 36.38 35.66 1h54 s VAL 408 CO 0.86 0.30 0.46 0.28 0.00 0.00 0.00 175.10 176.99 1h54 s THR 409 N 1.28 0.05 0.00 3.92 -1.32 -1.10 -0.56 115.64 117.91 1h54 s THR 409 Ca -0.04 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1h54 s THR 409 Cb -0.14 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 1h54 s THR 409 CO -0.02 -0.22 0.00 0.49 -2.21 0.00 0.00 174.62 172.66 1h54 n PHE 410 N -0.18 0.00 0.01 9.09 3.01 -1.26 -0.94 117.46 127.19 1h54 n PHE 410 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1h54 n PHE 410 Cb 0.64 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.11 1h54 n PHE 410 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1h54 n ASP 411 N -2.21 1.54 0.00 4.37 5.68 -1.26 -4.99 116.55 119.68 1h54 n ASP 411 Ca 0.00 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1h54 n ASP 411 Cb 0.44 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1h54 n ASP 411 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h54 n GLY 412 N -0.16 2.60 3.84 6.12 0.00 -1.26 -4.75 105.19 111.58 1h54 n GLY 412 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1h54 n GLY 412 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h54 s ILE 413 N -2.41 4.86 0.53 -0.61 1.01 -1.26 -3.76 121.20 119.56 1h54 s ILE 413 Ca 0.00 0.91 -0.22 0.00 0.00 0.00 0.00 60.65 61.35 1h54 s ILE 413 Cb 0.00 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 1h54 s ILE 413 CO 0.00 0.38 1.15 1.21 0.00 0.00 0.00 174.94 177.68 1h54 n GLU 414 N 1.19 1.39 0.00 2.79 4.07 -1.26 -4.41 120.64 124.42 1h54 n GLU 414 Ca -0.08 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 1h54 n GLU 414 Cb 0.52 -2.32 0.00 0.00 -0.06 0.00 0.00 31.44 29.58 1h54 n GLU 414 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1h54 s HIS 416 N -1.47 2.79 -0.33 0.00 5.04 -1.26 -4.59 115.29 115.46 1h54 s HIS 416 Ca 0.00 1.54 0.08 0.00 -1.54 0.00 0.00 55.06 55.15 1h54 s HIS 416 Cb 0.00 -3.31 0.45 0.00 0.04 0.00 0.00 32.58 29.76 1h54 s HIS 416 CO 0.00 -1.49 1.15 0.27 -2.34 0.00 0.00 174.74 172.34 1h54 n ASN 417 N -0.90 4.45 -3.83 9.88 6.94 -1.26 -4.47 115.26 126.07 1h54 n ASN 417 Ca 0.09 -3.55 -0.27 0.00 -0.02 0.00 0.00 54.58 50.83 1h54 n ASN 417 Cb 0.50 -0.39 -0.17 0.00 -2.36 0.00 0.00 39.78 37.36 1h54 n ASN 417 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1h54 s GLU 418 N -3.58 1.09 0.35 -3.83 2.02 -1.26 -4.97 118.70 108.52 1h54 s GLU 418 Ca 0.47 -0.33 0.07 0.00 0.02 0.00 0.00 54.97 55.20 1h54 s GLU 418 Cb 0.40 -1.76 0.77 0.00 0.10 0.00 0.00 34.13 33.64 1h54 s GLU 418 CO -0.03 -0.43 1.89 0.11 0.02 0.00 0.00 175.26 176.82 1h54 h TRP 419 N 8.20 0.84 0.00 1.61 5.08 -1.97 0.69 115.95 130.40 1h54 h TRP 419 Ca -0.22 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.77 1h54 h TRP 419 Cb 1.12 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 27.01 1h54 h TRP 419 CO 0.42 0.35 0.00 0.93 -1.28 0.00 0.00 178.44 178.86 1h54 h GLU 420 N 0.75 0.00 0.00 0.12 3.07 -1.97 -2.56 114.58 113.98 1h54 h GLU 420 Ca 0.42 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.21 1h54 h GLU 420 Cb 0.58 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1h54 h GLU 420 CO -0.18 0.00 -0.84 -0.89 -1.40 0.00 0.00 179.01 175.70 1h54 n ILE 421 N -2.47 1.16 0.01 3.13 2.08 -0.04 -3.70 119.36 119.53 1h54 n ILE 421 Ca 0.01 0.15 -0.13 0.00 0.56 0.00 0.00 62.75 63.33 1h54 n ILE 421 Cb 0.20 -1.86 -0.07 0.00 -0.75 0.00 0.00 39.64 37.16 1h54 n ILE 421 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1h54 h THR 422 N -0.46 0.11 0.11 1.39 2.02 0.20 -1.51 112.91 114.77 1h54 h THR 422 Ca -0.10 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.80 1h54 h THR 422 Cb 0.71 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1h54 h THR 422 CO -0.06 0.00 -1.39 -0.26 0.37 0.00 0.00 175.52 174.19 1h54 h PHE 423 N -0.53 0.42 0.00 3.16 0.05 -1.62 -3.42 116.94 115.00 1h54 h PHE 423 Ca 0.06 -0.31 -0.08 0.00 3.82 0.00 0.00 57.97 61.46 1h54 h PHE 423 Cb 0.65 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.57 1h54 h PHE 423 CO -0.49 1.30 -2.06 0.39 -0.18 0.00 0.00 178.31 177.26 1h54 n GLU 424 N -3.46 0.67 -1.99 1.51 1.02 -1.13 -4.66 120.64 112.60 1h54 n GLU 424 Ca -0.12 -0.15 -0.42 0.00 -0.02 0.00 0.00 57.16 56.44 1h54 n GLU 424 Cb 1.03 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1h54 n GLU 424 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1h54 n GLU 425 N -2.35 3.12 0.00 3.49 2.13 -0.57 -1.42 120.64 125.03 1h54 n GLU 425 Ca -0.10 -2.95 0.14 0.00 0.66 0.00 0.00 57.16 54.91 1h54 n GLU 425 Cb 0.69 -3.18 0.63 0.00 0.27 0.00 0.00 31.44 29.85 1h54 n GLU 425 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1h54 n ILE 426 N 4.62 0.00 0.25 6.31 -5.35 -1.26 -3.84 119.36 120.10 1h54 n ILE 426 Ca 0.48 -0.11 0.15 0.00 -0.27 0.00 0.00 62.75 63.00 1h54 n ILE 426 Cb 0.39 0.04 0.85 0.00 -1.74 0.00 0.00 39.64 39.18 1h54 n ILE 426 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 1h54 h HIS 427 N 1.04 0.00 -0.90 4.28 2.07 -1.83 -1.48 115.15 118.32 1h54 h HIS 427 Ca 0.00 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.76 1h54 h HIS 427 Cb 0.34 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.27 1h54 h HIS 427 CO 0.00 0.00 0.62 0.07 -3.07 0.00 0.00 177.93 175.55 1h54 h ARG 428 N 0.00 0.19 -0.65 5.12 0.11 -1.95 0.21 114.38 117.41 1h54 h ARG 428 Ca 0.04 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.04 1h54 h ARG 428 Cb 0.20 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.21 1h54 h ARG 428 CO -0.00 0.13 0.14 -0.91 0.10 0.00 0.00 179.97 179.43 1h54 h ASN 429 N 0.20 1.00 -0.45 0.08 -0.26 -1.58 -1.45 115.58 113.12 1h54 h ASN 429 Ca 0.46 -0.24 -0.13 0.00 -0.56 0.00 0.00 56.30 55.82 1h54 h ASN 429 Cb 1.46 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 38.45 1h54 h ASN 429 CO -0.10 0.99 -0.22 1.23 -1.06 0.00 0.00 177.43 178.27 1h54 h GLY 430 N 0.97 1.05 1.17 2.83 0.00 -0.78 -2.17 103.07 106.13 1h54 h GLY 430 Ca 0.20 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1h54 h GLY 430 CO 0.01 0.84 0.45 -0.55 0.00 0.00 0.00 176.54 177.28 1h54 h ASP 431 N 0.83 0.98 0.09 0.19 3.32 -1.00 0.13 116.42 120.97 1h54 h ASP 431 Ca 0.11 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1h54 h ASP 431 Cb 0.79 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1h54 h ASP 431 CO 0.07 0.78 -0.46 0.40 -1.72 0.00 0.00 179.24 178.31 1h54 h ILE 432 N 1.11 1.32 -0.16 0.35 2.04 -1.09 -2.18 117.51 118.90 1h54 h ILE 432 Ca 0.28 -1.65 -0.21 0.00 1.00 0.00 0.00 64.86 64.28 1h54 h ILE 432 Cb 0.01 1.68 0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1h54 h ILE 432 CO -0.05 0.51 -0.73 0.00 0.00 0.00 0.00 178.15 177.88 1h54 h ALA 433 N 1.16 0.40 -0.75 1.87 0.00 -0.84 -3.15 119.26 117.95 1h54 h ALA 433 Ca 0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1h54 h ALA 433 Cb 0.94 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1h54 h ALA 433 CO 0.08 0.70 0.43 0.35 0.00 0.00 0.00 179.25 180.81 1h54 h PHE 434 N 0.50 1.00 -0.91 0.00 3.04 -0.56 -2.24 116.94 117.77 1h54 h PHE 434 Ca -0.04 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.01 1h54 h PHE 434 Cb 1.35 -0.33 -0.07 0.00 2.56 0.00 0.00 35.95 39.46 1h54 h PHE 434 CO 0.07 0.68 0.59 0.00 -2.02 0.00 0.00 178.31 177.63 1h54 h ALA 435 N 1.44 1.65 -0.25 2.41 0.00 -1.35 0.24 119.26 123.40 1h54 h ALA 435 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1h54 h ALA 435 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1h54 h ALA 435 CO -0.05 0.15 0.15 0.82 0.00 0.00 0.00 179.25 180.32 1h54 h ILE 436 N 0.87 1.10 -0.23 0.00 2.04 -1.47 -0.68 117.51 119.15 1h54 h ILE 436 Ca 0.43 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 1h54 h ILE 436 Cb 0.47 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1h54 h ILE 436 CO -0.20 0.10 0.07 0.22 0.00 0.00 0.00 178.15 178.34 1h54 h TYR 437 N 0.31 0.37 -0.66 1.37 3.20 -1.13 -1.63 116.97 118.79 1h54 h TYR 437 Ca 0.09 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.02 1h54 h TYR 437 Cb 0.03 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.11 1h54 h TYR 437 CO -0.04 0.43 0.27 -0.97 -1.64 0.00 0.00 178.16 176.21 1h54 h ASN 438 N 0.20 0.29 -0.51 -2.11 -1.24 -0.33 0.32 115.58 112.19 1h54 h ASN 438 Ca 0.07 0.08 -0.07 0.00 0.71 0.00 0.00 56.30 57.10 1h54 h ASN 438 Cb 0.24 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 1h54 h ASN 438 CO -0.00 0.16 0.05 0.22 -1.29 0.00 0.00 177.43 176.56 1h54 h TYR 439 N 0.46 0.94 -0.42 0.67 5.03 -0.95 -2.09 116.97 120.60 1h54 h TYR 439 Ca 0.34 -0.14 -0.06 0.00 2.58 0.00 0.00 58.73 61.45 1h54 h TYR 439 Cb 0.43 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 1h54 h TYR 439 CO -0.16 0.86 0.04 1.15 -1.32 0.00 0.00 178.16 178.73 1h54 h THR 440 N 0.75 1.25 -0.42 1.81 2.02 -0.42 -1.38 112.91 116.52 1h54 h THR 440 Ca 0.15 -0.95 -0.09 0.00 0.77 0.00 0.00 66.41 66.29 1h54 h THR 440 Cb 0.45 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1h54 h THR 440 CO 0.02 0.33 -0.11 -0.09 0.37 0.00 0.00 175.52 176.03 1h54 h ARG 441 N 0.56 0.75 0.00 6.66 2.43 -0.94 0.75 114.38 124.60 1h54 h ARG 441 Ca 0.12 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1h54 h ARG 441 Cb 0.43 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1h54 h ARG 441 CO 0.01 0.84 -0.00 -0.92 -1.51 0.00 0.00 179.97 178.39 1h54 h TYR 442 N 0.68 -0.00 0.00 2.20 5.03 -1.27 -3.36 116.97 120.24 1h54 h TYR 442 Ca 0.12 -0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.24 1h54 h TYR 442 Cb 0.58 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.83 1h54 h TYR 442 CO 0.03 0.76 -0.95 1.79 -1.32 0.00 0.00 178.16 178.47 1h54 h THR 443 N -0.78 1.26 -0.06 1.81 1.35 -1.32 -3.43 112.91 111.74 1h54 h THR 443 Ca -0.00 -2.85 -0.03 0.00 -0.55 0.00 0.00 66.41 62.98 1h54 h THR 443 Cb 0.76 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.78 1h54 h THR 443 CO 0.00 0.72 -0.03 0.61 -0.25 0.00 0.00 175.52 176.57 1h54 n GLY 444 N 1.34 0.51 3.42 5.82 0.00 0.26 -4.79 105.19 111.73 1h54 n GLY 444 Ca -0.02 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 1h54 n GLY 444 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h54 s ASP 445 N -2.66 6.14 0.32 1.61 2.15 -1.24 -4.94 116.67 118.05 1h54 s ASP 445 Ca 0.00 -1.16 0.25 0.00 0.43 0.00 0.00 52.55 52.07 1h54 s ASP 445 Cb 0.00 -2.18 0.70 0.00 -0.30 0.00 0.00 42.92 41.14 1h54 s ASP 445 CO 0.00 -0.59 1.73 0.44 -0.17 0.00 0.00 175.17 176.57 1h54 h ASP 446 N 8.72 0.00 -0.71 -0.34 3.45 -1.94 -3.38 116.42 122.22 1h54 h ASP 446 Ca -0.28 0.00 0.14 0.00 0.43 0.00 0.00 57.03 57.32 1h54 h ASP 446 Cb 1.11 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.79 1h54 h ASP 446 CO 0.83 0.00 0.23 0.77 -1.57 0.00 0.00 179.24 179.51 1h54 h SER 447 N 0.00 0.16 0.26 6.45 4.64 -1.98 -1.72 113.55 121.37 1h54 h SER 447 Ca 0.00 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1h54 h SER 447 Cb 0.78 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1h54 h SER 447 CO 0.00 0.06 -0.13 0.22 -0.87 0.00 0.00 176.83 176.11 1h54 h TYR 448 N 0.37 -0.32 -0.04 4.77 3.20 -1.98 -3.10 116.97 119.86 1h54 h TYR 448 Ca 0.39 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.26 1h54 h TYR 448 Cb 0.60 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 1h54 h TYR 448 CO -0.20 0.04 0.03 -0.24 -1.64 0.00 0.00 178.16 176.15 1h54 h VAL 449 N -0.86 0.76 -0.00 1.81 3.04 -1.79 0.13 116.25 119.32 1h54 h VAL 449 Ca -0.04 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1h54 h VAL 449 Cb 0.51 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1h54 h VAL 449 CO 0.06 0.00 -0.14 0.18 -1.01 0.00 0.00 177.57 176.66 1h54 n LEU 450 N -4.20 0.53 0.00 3.16 4.32 -0.65 -1.57 117.00 118.58 1h54 n LEU 450 Ca -0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1h54 n LEU 450 Cb 0.13 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1h54 n LEU 450 CO 0.31 0.10 0.00 1.41 -1.22 0.00 0.00 177.39 177.99 1h54 n HIS 451 N -0.96 0.00 -0.30 -1.77 8.25 -0.36 -4.63 115.22 115.46 1h54 n HIS 451 Ca 0.13 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.68 1h54 n HIS 451 Cb 0.29 0.00 0.25 0.00 1.12 0.00 0.00 29.99 31.65 1h54 n HIS 451 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1h54 h GLU 452 N 0.00 0.53 -0.35 -0.41 3.07 -1.78 -0.26 114.58 115.37 1h54 h GLU 452 Ca 0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1h54 h GLU 452 Cb 0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 1h54 h GLU 452 CO 0.00 0.35 0.17 0.78 -1.40 0.00 0.00 179.01 178.90 1h54 h GLY 453 N 0.54 0.52 1.32 -3.84 0.00 -1.02 -1.92 103.07 98.68 1h54 h GLY 453 Ca 0.49 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1h54 h GLY 453 CO -0.42 0.22 0.19 0.00 0.00 0.00 0.00 176.54 176.53 1h54 h ALA 454 N 1.70 1.26 -0.24 3.60 0.00 -0.01 -0.39 119.26 125.17 1h54 h ALA 454 Ca 0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1h54 h ALA 454 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1h54 h ALA 454 CO -0.02 0.53 -0.12 -0.22 0.00 0.00 0.00 179.25 179.43 1h54 h LYS 455 N 0.84 0.50 -0.64 0.00 1.63 -1.22 -0.42 116.57 117.27 1h54 h LYS 455 Ca 0.19 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1h54 h LYS 455 Cb 0.22 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1h54 h LYS 455 CO -0.01 0.77 0.38 0.28 -3.45 0.00 0.00 179.45 177.42 1h54 h VAL 456 N 0.22 1.19 -0.48 2.00 2.07 -1.09 -1.75 116.25 118.41 1h54 h VAL 456 Ca 0.05 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1h54 h VAL 456 Cb 0.63 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1h54 h VAL 456 CO 0.04 0.20 0.03 -0.07 0.02 0.00 0.00 177.57 177.78 1h54 h LEU 457 N 0.87 0.80 -0.23 2.57 3.38 -1.01 -1.95 115.31 119.74 1h54 h LEU 457 Ca 0.23 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1h54 h LEU 457 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1h54 h LEU 457 CO -0.04 0.90 0.13 0.74 0.09 0.00 0.00 178.44 180.25 1h54 h THR 458 N 0.68 1.01 -0.10 0.22 2.02 -0.77 0.76 112.91 116.73 1h54 h THR 458 Ca 0.14 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 1h54 h THR 458 Cb 0.47 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1h54 h THR 458 CO 0.02 0.05 -0.47 -0.33 0.37 0.00 0.00 175.52 175.15 1h54 h GLU 459 N 0.26 0.24 -0.28 6.66 4.39 -1.28 -0.52 114.58 124.04 1h54 h GLU 459 Ca 0.09 -0.13 -0.16 0.00 0.34 0.00 0.00 59.36 59.50 1h54 h GLU 459 Cb 0.01 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1h54 h GLU 459 CO -0.05 0.66 -0.48 0.82 -1.16 0.00 0.00 179.01 178.81 1h54 h ILE 460 N 0.19 1.29 -0.78 3.13 2.04 -1.11 -0.72 117.51 121.54 1h54 h ILE 460 Ca 0.01 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.16 1h54 h ILE 460 Cb 0.91 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1h54 h ILE 460 CO 0.07 0.54 0.36 0.28 0.00 0.00 0.00 178.15 179.40 1h54 h SER 461 N 0.60 1.05 0.04 1.72 0.02 -0.52 -1.52 113.55 114.94 1h54 h SER 461 Ca 0.03 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1h54 h SER 461 Cb 1.05 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1h54 h SER 461 CO 0.10 0.90 -0.13 0.03 -1.14 0.00 0.00 176.83 176.60 1h54 h ARG 462 N 1.12 0.21 0.08 3.45 3.08 -0.87 0.15 114.38 121.59 1h54 h ARG 462 Ca 0.27 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1h54 h ARG 462 Cb 0.15 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1h54 h ARG 462 CO -0.03 0.34 -0.04 0.35 -1.07 0.00 0.00 179.97 179.53 1h54 h PHE 463 N 0.20 -0.10 -0.62 3.04 3.57 -0.67 -2.74 116.94 119.62 1h54 h PHE 463 Ca 0.04 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1h54 h PHE 463 Cb 0.35 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 1h54 h PHE 463 CO 0.00 0.25 0.31 -1.49 -2.23 0.00 0.00 178.31 175.16 1h54 h TRP 464 N -0.47 0.56 0.00 0.41 -0.00 -0.77 0.16 115.95 115.85 1h54 h TRP 464 Ca -0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.89 1h54 h TRP 464 Cb 0.40 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.16 29.39 1h54 h TRP 464 CO 0.04 0.24 -0.06 0.00 -0.00 0.00 0.00 178.44 178.67 1h54 h ALA 465 N 1.36 1.78 0.00 1.49 0.00 -0.97 -1.88 119.26 121.04 1h54 h ALA 465 Ca 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1h54 h ALA 465 Cb 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1h54 h ALA 465 CO -0.21 0.07 -1.52 -3.47 0.00 0.00 0.00 179.25 174.12 1h54 n ASP 466 N -4.29 0.43 0.05 0.00 4.64 -0.69 -4.37 116.55 112.32 1h54 n ASP 466 Ca -0.03 0.17 -0.03 0.00 -1.38 0.00 0.00 54.79 53.52 1h54 n ASP 466 Cb 0.14 1.18 -0.08 0.00 -1.04 0.00 0.00 41.12 41.32 1h54 n ASP 466 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 1h54 h ARG 467 N 0.00 0.00 -7.41 -0.67 9.65 -0.17 -3.47 114.38 112.31 1h54 h ARG 467 Ca -0.02 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.37 1h54 h ARG 467 Cb 1.04 0.00 0.10 0.00 -1.39 0.00 0.00 29.97 29.73 1h54 h ARG 467 CO 0.00 0.53 0.36 0.54 2.80 0.00 0.00 179.97 184.20 1h54 s VAL 468 N -2.80 3.33 0.04 0.20 0.11 -0.76 -4.82 120.40 115.71 1h54 s VAL 468 Ca -0.01 0.43 0.01 0.00 -2.93 0.00 0.00 61.98 59.48 1h54 s VAL 468 Cb 0.09 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.69 1h54 s VAL 468 CO 0.80 -0.56 -0.06 -1.38 -3.33 0.00 0.00 175.10 170.57 1h54 s HIS 469 N -3.17 0.59 -0.23 1.54 -3.43 -0.55 -4.97 115.29 105.08 1h54 s HIS 469 Ca 0.60 -0.59 -0.16 0.00 -0.80 0.00 0.00 55.06 54.10 1h54 s HIS 469 Cb -0.14 -0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 30.61 1h54 s HIS 469 CO 0.54 -0.14 0.43 0.12 -2.00 0.00 0.00 174.74 173.69 1h54 s PHE 470 N -1.82 3.33 -0.59 0.38 5.36 -1.26 -0.82 117.98 122.55 1h54 s PHE 470 Ca -0.08 0.59 -0.19 0.00 -0.96 0.00 0.00 56.93 56.29 1h54 s PHE 470 Cb -0.07 -2.59 0.09 0.00 -0.34 0.00 0.00 43.02 40.11 1h54 s PHE 470 CO -0.01 -0.12 0.73 0.45 -1.46 0.00 0.00 175.22 174.81 1h54 s SER 471 N 1.28 6.19 0.36 6.13 0.15 0.02 -4.90 113.70 122.93 1h54 s SER 471 Ca 0.19 -1.29 0.09 0.00 0.70 0.00 0.00 55.95 55.64 1h54 s SER 471 Cb -0.15 -2.32 0.83 0.00 -1.71 0.00 0.00 66.02 62.67 1h54 s SER 471 CO 0.09 -1.13 1.88 0.11 1.20 0.00 0.00 173.24 175.39 1h54 h LYS 472 N 9.22 0.66 -0.76 5.44 1.57 -1.96 0.46 116.57 131.20 1h54 h LYS 472 Ca -0.29 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1h54 h LYS 472 Cb 1.09 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 1h54 h LYS 472 CO 1.10 0.44 0.50 -0.09 -0.57 0.00 0.00 179.45 180.82 1h54 h ARG 473 N 0.68 0.78 -0.01 3.15 2.43 -1.95 -2.81 114.38 116.65 1h54 h ARG 473 Ca 0.43 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1h54 h ARG 473 Cb 0.68 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1h54 h ARG 473 CO -0.19 0.51 -0.08 0.09 -1.51 0.00 0.00 179.97 178.79 1h54 n ASN 474 N -4.48 1.69 -4.09 -3.80 3.02 -0.32 -4.98 115.26 102.29 1h54 n ASN 474 Ca 0.11 -1.34 -0.33 0.00 -0.03 0.00 0.00 54.58 52.99 1h54 n ASN 474 Cb 0.23 0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 1h54 n ASN 474 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1h54 n ASN 475 N 0.31 -3.36 -3.89 6.41 4.13 0.15 -4.95 115.26 114.06 1h54 n ASN 475 Ca 0.06 -0.94 -0.09 0.00 1.68 0.00 0.00 54.58 55.29 1h54 n ASN 475 Cb 0.26 -3.17 -0.08 0.00 -1.54 0.00 0.00 39.78 35.25 1h54 n ASN 475 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1h54 s GLN 476 N -6.77 0.71 0.23 3.52 -0.21 -1.17 -4.99 119.66 110.98 1h54 s GLN 476 Ca 0.61 -0.82 -0.19 0.00 0.02 0.00 0.00 55.36 54.97 1h54 s GLN 476 Cb -0.32 0.28 -0.08 0.00 1.00 0.00 0.00 33.01 33.89 1h54 s GLN 476 CO 0.89 -0.20 0.73 0.71 -2.12 0.00 0.00 175.29 175.30 1h54 s TYR 477 N -3.12 3.63 0.18 0.91 2.02 0.16 -0.80 117.35 120.33 1h54 s TYR 477 Ca -0.01 1.38 -0.01 0.00 -0.37 0.00 0.00 57.07 58.07 1h54 s TYR 477 Cb 0.02 -2.62 -0.04 0.00 -0.40 0.00 0.00 41.96 38.92 1h54 s TYR 477 CO -0.07 0.32 0.09 -1.64 -1.57 0.00 0.00 175.55 172.68 1h54 s MET 478 N -2.03 1.12 -0.31 -0.62 -1.94 0.00 -1.03 119.30 114.50 1h54 s MET 478 Ca 0.44 -1.57 -0.01 0.00 -1.71 0.00 0.00 55.69 52.83 1h54 s MET 478 Cb -0.16 0.17 0.10 0.00 2.01 0.00 0.00 34.83 36.95 1h54 s MET 478 CO 0.21 -0.32 0.10 0.42 -0.01 0.00 0.00 175.02 175.41 1h54 s ILE 479 N -4.05 0.84 0.36 2.53 1.01 -1.26 -1.48 121.20 119.16 1h54 s ILE 479 Ca 0.33 -1.35 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1h54 s ILE 479 Cb 0.07 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1h54 s ILE 479 CO 0.08 -0.66 0.60 -1.00 0.00 0.00 0.00 174.94 173.97 1h54 s HIS 480 N 1.64 3.51 -0.92 3.97 3.76 -1.26 -1.14 115.29 124.85 1h54 s HIS 480 Ca 0.09 0.52 -0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1h54 s HIS 480 Cb -0.17 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 1h54 s HIS 480 CO -0.25 0.04 0.82 0.41 -0.85 0.00 0.00 174.74 174.91 1h54 n GLY 481 N -1.70 -1.20 3.42 -2.22 0.00 -0.69 -4.92 105.19 97.88 1h54 n GLY 481 Ca -0.03 0.54 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 1h54 n GLY 481 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h54 s VAL 482 N -3.22 0.62 -0.07 1.61 -7.23 0.21 -4.77 120.40 107.54 1h54 s VAL 482 Ca 0.26 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1h54 s VAL 482 Cb -0.04 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.41 1h54 s VAL 482 CO 0.75 0.00 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.64 1h54 s THR 483 N -3.40 0.41 0.14 5.32 2.01 -0.51 -0.50 115.64 119.11 1h54 s THR 483 Ca 0.32 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.38 1h54 s THR 483 Cb 0.05 -0.54 0.03 0.00 0.01 0.00 0.00 72.50 72.05 1h54 s THR 483 CO 0.16 0.25 0.20 0.61 -0.69 0.00 0.00 174.62 175.15 1h54 n GLY 484 N 4.97 -0.57 0.33 4.40 0.00 -1.26 -3.90 105.19 109.14 1h54 n GLY 484 Ca -0.10 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.28 1h54 n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h54 h ALA 485 N -1.49 2.17 -1.30 4.61 0.00 -1.92 -3.27 119.26 118.06 1h54 h ALA 485 Ca -0.06 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.24 1h54 h ALA 485 Cb 0.19 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 1h54 h ALA 485 CO 0.05 -0.25 1.24 0.34 0.00 0.00 0.00 179.25 180.63 1h54 s ASP 486 N -6.58 6.40 0.00 0.00 2.15 -1.26 -4.68 116.67 112.71 1h54 s ASP 486 Ca -0.06 -1.22 0.08 0.00 0.43 0.00 0.00 52.55 51.78 1h54 s ASP 486 Cb 0.18 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.73 1h54 s ASP 486 CO 0.71 -1.54 0.90 -0.62 -0.17 0.00 0.00 175.17 174.44 1h54 n GLU 487 N 8.68 0.45 -0.35 4.34 1.02 -1.23 -2.62 120.64 130.93 1h54 n GLU 487 Ca 0.21 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.40 1h54 n GLU 487 Cb 0.50 -1.27 0.20 0.00 -0.02 0.00 0.00 31.44 30.84 1h54 n GLU 487 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1h54 n TYR 488 N -0.77 0.83 -3.74 -0.32 0.53 -1.26 -4.60 117.16 107.83 1h54 n TYR 488 Ca 0.06 -0.33 -0.22 0.00 -1.02 0.00 0.00 57.90 56.39 1h54 n TYR 488 Cb 0.03 -0.17 -0.18 0.00 -1.03 0.00 0.00 39.34 37.99 1h54 n TYR 488 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 1h54 s GLU 489 N -1.72 0.41 0.01 -0.72 0.41 -1.08 -4.12 118.70 111.89 1h54 s GLU 489 Ca 0.28 0.17 0.08 0.00 -0.41 0.00 0.00 54.97 55.09 1h54 s GLU 489 Cb 0.18 -0.89 -0.02 0.00 -1.78 0.00 0.00 34.13 31.62 1h54 s GLU 489 CO 0.13 -0.33 -0.25 -0.80 -0.49 0.00 0.00 175.26 173.53 1h54 s ASN 490 N 2.03 2.93 -1.43 -0.19 0.02 -1.26 -4.33 114.94 112.71 1h54 s ASN 490 Ca 0.05 -0.50 -0.07 0.00 -1.02 0.00 0.00 52.86 51.32 1h54 s ASN 490 Cb -0.12 -0.30 0.04 0.00 0.02 0.00 0.00 41.25 40.89 1h54 s ASN 490 CO -0.05 0.27 0.79 -3.20 0.02 0.00 0.00 177.10 174.93 1h54 n ASN 491 N 2.15 -2.69 -4.97 -1.22 5.15 -0.80 -4.97 115.26 107.91 1h54 n ASN 491 Ca -0.16 -0.83 -0.21 0.00 -0.60 0.00 0.00 54.58 52.78 1h54 n ASN 491 Cb 0.52 -3.81 0.04 0.00 -0.53 0.00 0.00 39.78 35.99 1h54 n ASN 491 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1h54 s VAL 492 N -3.53 2.68 -0.08 3.44 -7.23 0.34 -4.58 120.40 111.44 1h54 s VAL 492 Ca 0.31 -0.70 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 1h54 s VAL 492 Cb -0.16 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.78 1h54 s VAL 492 CO 0.83 0.00 -0.12 -1.81 -0.31 0.00 0.00 175.10 173.69 1h54 s ASP 493 N -4.43 4.18 -1.13 4.85 1.01 -1.26 -0.62 116.67 119.26 1h54 s ASP 493 Ca 0.57 -0.20 -0.15 0.00 0.71 0.00 0.00 52.55 53.49 1h54 s ASP 493 Cb -0.10 -1.21 -0.03 0.00 1.01 0.00 0.00 42.92 42.60 1h54 s ASP 493 CO 0.38 0.28 0.82 0.59 0.21 0.00 0.00 175.17 177.45 1h54 n ASN 494 N 2.76 -5.26 -4.66 0.27 3.02 -0.29 -1.16 115.26 109.94 1h54 n ASN 494 Ca -0.18 -0.91 -0.42 0.00 -0.03 0.00 0.00 54.58 53.04 1h54 n ASN 494 Cb 0.52 -3.96 -0.03 0.00 -0.61 0.00 0.00 39.78 35.71 1h54 n ASN 494 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1h54 s ASN 495 N -3.54 6.66 0.20 6.41 2.47 -1.26 -3.70 114.94 122.19 1h54 s ASN 495 Ca 0.42 2.10 -0.13 0.00 0.42 0.00 0.00 52.86 55.67 1h54 s ASN 495 Cb -0.12 -2.53 0.24 0.00 -1.45 0.00 0.00 41.25 37.38 1h54 s ASN 495 CO 0.82 -0.95 1.64 -0.25 -3.72 0.00 0.00 177.10 174.64 1h54 h TRP 496 N 9.57 -0.23 -0.90 0.43 7.01 -0.86 -1.06 115.95 129.92 1h54 h TRP 496 Ca -0.37 0.05 0.01 0.00 2.11 0.00 0.00 58.89 60.69 1h54 h TRP 496 Cb 1.17 0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 28.37 1h54 h TRP 496 CO 0.88 -0.23 0.59 0.22 -2.79 0.00 0.00 178.44 177.11 1h54 h ASP 497 N 0.03 1.01 0.10 2.65 1.82 -1.84 0.20 116.42 120.40 1h54 h ASP 497 Ca 0.29 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1h54 h ASP 497 Cb 0.46 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1h54 h ASP 497 CO -0.58 0.73 -0.05 0.74 -1.61 0.00 0.00 179.24 178.47 1h54 h THR 498 N 1.19 1.05 -0.81 2.25 2.02 -1.68 -0.31 112.91 116.63 1h54 h THR 498 Ca 0.33 -0.57 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1h54 h THR 498 Cb -0.11 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1h54 h THR 498 CO -0.08 0.14 0.53 0.78 0.37 0.00 0.00 175.52 177.26 1h54 h ASN 499 N -0.40 0.91 -0.67 4.18 -0.26 -1.02 -1.20 115.58 117.13 1h54 h ASN 499 Ca -0.01 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.69 1h54 h ASN 499 Cb 0.33 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.34 1h54 h ASN 499 CO 0.02 0.65 0.33 -0.03 -1.06 0.00 0.00 177.43 177.34 1h54 h MET 500 N 1.07 0.96 -0.19 0.81 4.05 -0.50 -1.72 114.93 119.41 1h54 h MET 500 Ca 0.31 -0.13 -0.11 0.00 -0.28 0.00 0.00 59.70 59.48 1h54 h MET 500 Cb -0.08 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.53 1h54 h MET 500 CO -0.08 0.75 -0.35 -0.07 0.23 0.00 0.00 176.91 177.39 1h54 h LEU 501 N 0.92 0.42 -0.02 3.39 3.38 -0.57 -0.93 115.31 121.91 1h54 h LEU 501 Ca 0.23 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1h54 h LEU 501 Cb 0.10 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1h54 h LEU 501 CO -0.03 0.74 -0.00 0.00 0.09 0.00 0.00 178.44 179.24 1h54 h ALA 502 N 1.29 0.02 -0.41 1.53 0.00 -0.96 0.18 119.26 120.90 1h54 h ALA 502 Ca 0.04 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1h54 h ALA 502 Cb 0.78 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1h54 h ALA 502 CO 0.06 -0.29 0.22 0.37 0.00 0.00 0.00 179.25 179.61 1h54 h GLN 503 N -0.31 0.42 -0.27 0.00 4.15 -1.26 -1.87 115.11 115.97 1h54 h GLN 503 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1h54 h GLN 503 Cb 0.36 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1h54 h GLN 503 CO 0.00 0.28 0.16 2.35 -1.93 0.00 0.00 178.83 179.69 1h54 h TRP 504 N 0.44 0.36 -0.07 3.99 7.01 -1.07 -0.93 115.95 125.67 1h54 h TRP 504 Ca 0.17 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1h54 h TRP 504 Cb 0.06 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.97 1h54 h TRP 504 CO -0.09 0.27 -0.16 1.15 -2.79 0.00 0.00 178.44 176.82 1h54 h THR 505 N 0.34 0.60 -0.71 2.65 2.02 -0.67 0.19 112.91 117.33 1h54 h THR 505 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1h54 h THR 505 Cb 0.02 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1h54 h THR 505 CO -0.02 0.00 0.46 -0.07 0.37 0.00 0.00 175.52 176.26 1h54 h LEU 506 N -0.22 0.82 -0.36 2.58 3.38 -1.24 0.18 115.31 120.45 1h54 h LEU 506 Ca 0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1h54 h LEU 506 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1h54 h LEU 506 CO -0.20 0.61 0.14 0.50 0.09 0.00 0.00 178.44 179.57 1h54 h LYS 507 N 0.96 0.55 -0.50 1.13 3.64 -0.68 -1.64 116.57 120.04 1h54 h LYS 507 Ca 0.26 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 1h54 h LYS 507 Cb -0.09 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1h54 h LYS 507 CO -0.05 0.54 -0.13 -0.92 -2.27 0.00 0.00 179.45 176.61 1h54 h TYR 508 N 0.44 1.10 -0.71 1.91 3.20 -0.39 -2.59 116.97 119.92 1h54 h TYR 508 Ca 0.12 -0.24 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 1h54 h TYR 508 Cb 0.21 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1h54 h TYR 508 CO 0.00 1.05 0.34 1.15 -1.64 0.00 0.00 178.16 179.06 1h54 h THR 509 N 0.84 1.23 -0.80 1.81 2.02 -0.84 -1.00 112.91 116.16 1h54 h THR 509 Ca 0.13 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1h54 h THR 509 Cb 0.70 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1h54 h THR 509 CO 0.05 0.28 0.47 -0.07 0.37 0.00 0.00 175.52 176.62 1h54 h LEU 510 N 1.00 0.97 0.22 2.58 3.38 -1.18 0.47 115.31 122.76 1h54 h LEU 510 Ca 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1h54 h LEU 510 Cb 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1h54 h LEU 510 CO -0.03 0.76 -0.11 -0.33 0.09 0.00 0.00 178.44 178.82 1h54 h GLU 511 N 1.11 -0.29 -0.79 1.13 5.08 -1.00 -3.05 114.58 116.78 1h54 h GLU 511 Ca 0.29 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.72 1h54 h GLU 511 Cb -0.02 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1h54 h GLU 511 CO -0.05 -0.12 0.48 0.82 -1.00 0.00 0.00 179.01 179.13 1h54 h ILE 512 N -0.39 1.03 -0.70 3.13 1.08 -0.68 -2.54 117.51 118.44 1h54 h ILE 512 Ca -0.03 -0.30 0.06 0.00 -0.39 0.00 0.00 64.86 64.20 1h54 h ILE 512 Cb 0.30 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.08 1h54 h ILE 512 CO 0.05 0.16 0.46 -0.07 -0.69 0.00 0.00 178.15 178.06 1h54 h LEU 513 N 0.88 0.63 0.00 1.44 3.38 -0.84 0.18 115.31 120.99 1h54 h LEU 513 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1h54 h LEU 513 Cb 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1h54 h LEU 513 CO -0.17 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1h54 n GLY 514 N -1.46 -0.87 0.00 0.83 0.00 -0.96 -3.44 105.19 99.29 1h54 n GLY 514 Ca 0.10 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1h54 n GLY 514 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h54 n LYS 515 N -1.17 3.93 -1.30 1.61 5.02 0.58 -5.05 118.16 121.78 1h54 n LYS 515 Ca 0.13 -0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 1h54 n LYS 515 Cb 0.13 -0.80 0.09 0.00 -0.02 0.00 0.00 35.03 34.43 1h54 n LYS 515 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1h54 s VAL 516 N -1.63 3.15 0.81 -0.18 -7.23 -0.84 -5.03 120.40 109.45 1h54 s VAL 516 Ca 0.00 0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 60.47 1h54 s VAL 516 Cb 0.02 -2.86 0.11 0.00 0.56 0.00 0.00 36.38 34.21 1h54 s VAL 516 CO 0.14 -0.45 1.16 1.51 -0.31 0.00 0.00 175.10 177.15 1h54 s ASP 517 N -3.12 4.25 0.27 4.85 1.47 -1.26 -4.76 116.67 118.37 1h54 s ASP 517 Ca 0.63 0.52 -0.00 0.00 1.18 0.00 0.00 52.55 54.88 1h54 s ASP 517 Cb -0.19 -0.94 0.55 0.00 -0.34 0.00 0.00 42.92 42.01 1h54 s ASP 517 CO 0.53 -2.02 1.78 -0.61 0.68 0.00 0.00 175.17 175.53 1h54 h GLN 518 N -1.05 0.69 -0.18 2.11 5.75 -1.99 0.09 115.11 120.53 1h54 h GLN 518 Ca -0.45 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 57.99 1h54 h GLN 518 Cb 1.30 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 1h54 h GLN 518 CO 0.57 0.45 0.03 -0.44 -2.65 0.00 0.00 178.83 176.80 1h54 h ASP 519 N 0.71 0.28 0.30 -0.69 3.32 -1.99 -1.79 116.42 116.56 1h54 h ASP 519 Ca 0.48 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1h54 h ASP 519 Cb 0.64 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1h54 h ASP 519 CO -0.34 0.46 -0.14 0.74 -1.72 0.00 0.00 179.24 178.23 1h54 h THR 520 N 0.09 0.72 -0.69 0.35 2.02 -1.81 -1.14 112.91 112.46 1h54 h THR 520 Ca 0.06 -0.12 0.15 0.00 0.77 0.00 0.00 66.41 67.26 1h54 h THR 520 Cb 0.29 0.79 -0.11 0.00 -1.74 0.00 0.00 68.15 67.38 1h54 h THR 520 CO 0.00 0.03 0.11 0.00 0.37 0.00 0.00 175.52 176.03 1h54 h ALA 521 N 0.22 0.82 -0.78 6.16 0.00 -0.97 0.36 119.26 125.07 1h54 h ALA 521 Ca -0.04 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1h54 h ALA 521 Cb 0.35 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1h54 h ALA 521 CO 0.07 -0.36 0.31 -0.22 0.00 0.00 0.00 179.25 179.05 1h54 h LYS 522 N 0.22 1.17 -0.08 0.00 3.64 -1.14 -0.30 116.57 120.08 1h54 h LYS 522 Ca 0.38 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1h54 h LYS 522 Cb 0.64 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1h54 h LYS 522 CO -0.51 0.95 -0.03 1.96 -2.27 0.00 0.00 179.45 179.55 1h54 h GLN 523 N 1.14 0.16 -0.63 1.90 4.20 0.56 -3.04 115.11 119.39 1h54 h GLN 523 Ca 0.26 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1h54 h GLN 523 Cb 0.22 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1h54 h GLN 523 CO -0.02 0.50 0.39 -0.07 -0.67 0.00 0.00 178.83 178.96 1h54 h LEU 524 N -0.19 0.75 -3.36 1.46 3.38 -0.30 -3.47 115.31 113.59 1h54 h LEU 524 Ca 0.02 -0.04 -0.46 0.00 0.09 0.00 0.00 57.88 57.49 1h54 h LEU 524 Cb 0.45 -0.19 0.07 0.00 0.09 0.00 0.00 40.66 41.08 1h54 h LEU 524 CO 0.01 0.57 -0.95 -0.67 0.09 0.00 0.00 178.44 177.49 1h54 n ASP 525 N -4.41 -5.14 -4.44 -0.43 2.03 -0.14 -4.94 116.55 99.08 1h54 n ASP 525 Ca 0.06 -1.07 -0.41 0.00 0.52 0.00 0.00 54.79 53.90 1h54 n ASP 525 Cb 0.07 -3.05 -0.11 0.00 -0.72 0.00 0.00 41.12 37.31 1h54 n ASP 525 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1h54 s VAL 526 N -3.47 4.91 0.96 5.18 1.01 -1.26 -5.08 120.40 122.64 1h54 s VAL 526 Ca 0.48 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1h54 s VAL 526 Cb -0.19 -3.64 0.16 0.00 0.00 0.00 0.00 36.38 32.71 1h54 s VAL 526 CO 0.88 -0.14 1.09 -0.94 0.00 0.00 0.00 175.10 175.99 1h54 s SER 527 N 1.63 2.90 0.42 3.32 1.04 -1.26 -4.88 113.70 116.88 1h54 s SER 527 Ca 0.04 1.50 0.23 0.00 0.48 0.00 0.00 55.95 58.20 1h54 s SER 527 Cb -0.18 -2.17 0.82 0.00 0.10 0.00 0.00 66.02 64.59 1h54 s SER 527 CO 0.08 -3.00 1.78 0.44 0.98 0.00 0.00 173.24 173.53 1h54 h ASP 528 N -1.80 0.00 -0.15 7.02 3.32 -1.99 -2.50 116.42 120.32 1h54 h ASP 528 Ca -0.52 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 1h54 h ASP 528 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1h54 h ASP 528 CO 0.53 0.25 0.03 -0.33 -1.72 0.00 0.00 179.24 178.00 1h54 h GLU 529 N 0.00 0.25 -0.24 3.56 3.07 -1.99 -0.97 114.58 118.26 1h54 h GLU 529 Ca -0.00 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1h54 h GLU 529 Cb 0.82 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1h54 h GLU 529 CO 0.03 0.43 0.15 0.93 -1.40 0.00 0.00 179.01 179.15 1h54 h GLU 530 N 0.04 0.33 -0.89 2.33 5.08 -1.88 -1.48 114.58 118.11 1h54 h GLU 530 Ca 0.05 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1h54 h GLU 530 Cb 0.30 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1h54 h GLU 530 CO 0.00 0.25 0.58 0.87 -1.00 0.00 0.00 179.01 179.71 1h54 h LYS 531 N 0.31 1.09 -0.45 2.33 1.57 -1.35 0.21 116.57 120.27 1h54 h LYS 531 Ca 0.09 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1h54 h LYS 531 Cb 0.01 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 1h54 h LYS 531 CO -0.02 0.72 0.15 1.15 -0.57 0.00 0.00 179.45 180.88 1h54 h THR 532 N 1.12 1.22 0.22 -0.16 2.02 -0.91 -1.55 112.91 114.87 1h54 h THR 532 Ca 0.36 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1h54 h THR 532 Cb 0.01 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1h54 h THR 532 CO -0.12 0.26 -0.12 0.50 0.37 0.00 0.00 175.52 176.41 1h54 h LYS 533 N 0.59 -0.31 -0.72 6.66 1.63 -0.40 -1.57 116.57 122.45 1h54 h LYS 533 Ca 0.15 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.09 1h54 h LYS 533 Cb 0.25 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.87 1h54 h LYS 533 CO -0.01 -0.21 0.30 -1.49 -3.45 0.00 0.00 179.45 174.60 1h54 h TRP 534 N -0.32 0.53 -0.61 1.91 4.06 -0.48 -0.60 115.95 120.44 1h54 h TRP 534 Ca -0.02 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 1h54 h TRP 534 Cb 0.26 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 1h54 h TRP 534 CO -0.08 0.12 0.22 1.96 -3.56 0.00 0.00 178.44 177.10 1h54 h GLN 535 N 0.48 0.90 -0.69 0.49 1.08 -1.01 -1.43 115.11 114.94 1h54 h GLN 535 Ca 0.38 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.36 1h54 h GLN 535 Cb 0.51 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 1h54 h GLN 535 CO -0.35 0.76 0.17 0.22 -0.95 0.00 0.00 178.83 178.68 1h54 h ASP 536 N 0.88 1.03 -0.49 1.46 3.58 -0.14 0.61 116.42 123.35 1h54 h ASP 536 Ca 0.20 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 1h54 h ASP 536 Cb 0.21 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 1h54 h ASP 536 CO -0.01 0.98 0.13 0.40 -2.88 0.00 0.00 179.24 177.86 1h54 h ILE 537 N 1.03 1.23 -0.38 2.25 2.04 -0.60 0.78 117.51 123.86 1h54 h ILE 537 Ca 0.22 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1h54 h ILE 537 Cb 0.35 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1h54 h ILE 537 CO 0.00 0.29 0.16 0.58 0.00 0.00 0.00 178.15 179.18 1h54 h VAL 538 N 0.66 1.19 -0.60 1.67 2.07 -0.99 -1.15 116.25 119.09 1h54 h VAL 538 Ca 0.16 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1h54 h VAL 538 Cb 0.30 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1h54 h VAL 538 CO -0.00 0.20 0.16 0.44 0.02 0.00 0.00 177.57 178.39 1h54 h ASP 539 N 0.48 0.90 -0.38 0.57 3.45 -0.63 -3.29 116.42 117.52 1h54 h ASP 539 Ca 0.13 -0.23 -0.19 0.00 0.43 0.00 0.00 57.03 57.18 1h54 h ASP 539 Cb 0.17 -0.24 -0.11 0.00 -0.56 0.00 0.00 39.33 38.59 1h54 h ASP 539 CO -0.01 0.89 -0.04 0.54 -1.57 0.00 0.00 179.24 179.05 1h54 n ARG 540 N -4.36 1.92 -2.42 3.56 1.74 0.24 -5.01 116.66 112.33 1h54 n ARG 540 Ca 0.03 -3.16 -0.42 0.00 -0.77 0.00 0.00 57.85 53.53 1h54 n ARG 540 Cb 0.23 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 1h54 n ARG 540 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1h54 s MET 541 N -3.23 4.45 0.10 5.56 1.75 -0.44 -0.67 119.30 126.82 1h54 s MET 541 Ca 0.45 1.77 -0.30 0.00 -1.25 0.00 0.00 55.69 56.36 1h54 s MET 541 Cb 0.41 -3.33 -0.06 0.00 2.84 0.00 0.00 34.83 34.69 1h54 s MET 541 CO 0.01 -0.22 1.05 -0.47 -0.65 0.00 0.00 175.02 174.74 1h54 s TYR 542 N 0.87 3.64 -0.21 4.11 5.04 -0.19 -4.85 117.35 125.75 1h54 s TYR 542 Ca 0.58 1.62 -0.02 0.00 -2.44 0.00 0.00 57.07 56.81 1h54 s TYR 542 Cb -0.30 -3.21 0.06 0.00 0.35 0.00 0.00 41.96 38.87 1h54 s TYR 542 CO 0.30 -0.37 0.01 -0.51 -1.34 0.00 0.00 175.55 173.64 1h54 s LEU 543 N 0.29 1.64 0.07 6.97 1.43 -1.26 -4.88 118.68 122.94 1h54 s LEU 543 Ca 0.51 -0.97 -0.32 0.00 -1.03 0.00 0.00 54.13 52.32 1h54 s LEU 543 Cb -0.26 -0.78 -0.11 0.00 0.03 0.00 0.00 46.19 45.07 1h54 s LEU 543 CO 0.31 -0.29 1.83 -0.81 0.23 0.00 0.00 176.35 177.62 1h54 n PRO 544 N 4.93 2.58 -3.82 1.29 -0.04 -1.26 -4.98 135.00 133.69 1h54 n PRO 544 Ca -0.09 0.94 -0.12 0.00 -0.04 0.00 0.00 63.50 64.18 1h54 n PRO 544 Cb 0.46 -2.82 -0.11 0.00 -0.04 0.00 0.00 33.50 30.99 1h54 n PRO 544 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1h54 s TYR 545 N 3.04 -0.13 -0.25 0.54 5.04 -1.26 -1.15 117.35 123.19 1h54 s TYR 545 Ca 0.85 0.30 -0.00 0.00 -2.44 0.00 0.00 57.07 55.78 1h54 s TYR 545 Cb -0.55 0.04 0.04 0.00 0.35 0.00 0.00 41.96 41.83 1h54 s TYR 545 CO 0.41 -0.17 -0.08 0.34 -1.34 0.00 0.00 175.55 174.71 1h54 s ASP 546 N -0.40 4.25 0.15 4.32 -1.08 -0.31 -4.87 116.67 118.74 1h54 s ASP 546 Ca -0.05 -1.02 -0.15 0.00 -0.52 0.00 0.00 52.55 50.82 1h54 s ASP 546 Cb -0.03 -1.62 0.03 0.00 -1.46 0.00 0.00 42.92 39.84 1h54 s ASP 546 CO 0.01 -0.14 1.75 0.50 0.52 0.00 0.00 175.17 177.80 1h54 h LYS 547 N 7.94 0.68 -0.74 4.34 3.64 -1.96 0.27 116.57 130.74 1h54 h LYS 547 Ca -0.30 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 58.95 1h54 h LYS 547 Cb 1.09 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1h54 h LYS 547 CO 0.55 0.56 0.29 -0.44 -2.27 0.00 0.00 179.45 178.14 1h54 h ASP 548 N 0.63 1.02 0.61 4.20 3.32 -1.97 -2.56 116.42 121.67 1h54 h ASP 548 Ca 0.17 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1h54 h ASP 548 Cb 0.09 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1h54 h ASP 548 CO -0.02 0.91 -0.76 0.18 -1.72 0.00 0.00 179.24 177.82 1h54 n LEU 549 N -4.28 0.63 -3.63 1.55 4.77 -1.19 -4.96 117.00 109.89 1h54 n LEU 549 Ca 0.07 0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.91 1h54 n LEU 549 Cb 0.18 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1h54 n LEU 549 CO 0.40 0.02 0.03 -3.20 -1.33 0.00 0.00 177.39 173.32 1h54 n ASN 550 N -1.92 -2.20 -4.22 -1.43 5.15 0.93 -4.89 115.26 106.68 1h54 n ASN 550 Ca 0.03 -0.73 -0.15 0.00 -0.60 0.00 0.00 54.58 53.14 1h54 n ASN 550 Cb 0.42 -4.46 -0.10 0.00 -0.53 0.00 0.00 39.78 35.10 1h54 n ASN 550 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1h54 s ILE 551 N -3.51 1.11 -0.06 -1.44 -4.36 -0.99 -4.58 121.20 107.36 1h54 s ILE 551 Ca 0.11 -1.90 -0.24 0.00 -0.26 0.00 0.00 60.65 58.36 1h54 s ILE 551 Cb -0.05 -1.67 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 1h54 s ILE 551 CO 0.78 -0.66 0.74 -0.36 0.24 0.00 0.00 174.94 175.68 1h54 s PHE 552 N -2.95 3.58 -0.26 1.37 2.99 -1.26 -1.16 117.98 120.30 1h54 s PHE 552 Ca 0.12 1.30 -0.26 0.00 0.00 0.00 0.00 56.93 58.10 1h54 s PHE 552 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 43.02 40.17 1h54 s PHE 552 CO 0.00 0.07 0.89 0.08 -0.00 0.00 0.00 175.22 176.26 1h54 s VAL 553 N 0.87 4.76 0.31 -0.44 1.01 -0.30 -4.93 120.40 121.69 1h54 s VAL 553 Ca 0.39 1.61 0.03 0.00 0.00 0.00 0.00 61.98 64.01 1h54 s VAL 553 Cb -0.18 -4.19 0.41 0.00 0.00 0.00 0.00 36.38 32.42 1h54 s VAL 553 CO 0.19 -0.17 1.57 -0.61 0.00 0.00 0.00 175.10 176.08 1h54 h GLN 554 N 7.75 0.01 -3.03 2.72 4.15 -1.92 -3.34 115.11 121.45 1h54 h GLN 554 Ca -0.22 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 1h54 h GLN 554 Cb 1.08 -0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.64 1h54 h GLN 554 CO 0.91 0.00 0.13 -3.38 -1.93 0.00 0.00 178.83 174.57 1h54 s HIS 555 N -5.98 -0.46 0.16 3.99 -3.43 -1.26 -0.42 115.29 107.89 1h54 s HIS 555 Ca -0.13 0.27 -0.33 0.00 -0.80 0.00 0.00 55.06 54.08 1h54 s HIS 555 Cb 0.29 0.47 -0.13 0.00 -1.43 0.00 0.00 32.58 31.79 1h54 s HIS 555 CO 0.78 -0.79 1.69 -0.25 -2.00 0.00 0.00 174.74 174.17 1h54 n ASP 556 N -0.24 3.60 0.00 7.38 8.00 -0.31 -1.87 116.55 133.12 1h54 n ASP 556 Ca -0.17 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.38 1h54 n ASP 556 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1h54 n ASP 556 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h54 n GLY 557 N 3.81 0.90 0.37 0.44 0.00 -1.26 -4.74 105.19 104.71 1h54 n GLY 557 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1h54 n GLY 557 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1h54 h PHE 558 N 0.00 0.81 0.00 1.61 3.04 -1.77 -0.40 116.94 120.22 1h54 h PHE 558 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1h54 h PHE 558 Cb 0.00 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.25 1h54 h PHE 558 CO 0.00 0.34 0.00 1.28 -2.02 0.00 0.00 178.31 177.91 1h54 n LEU 559 N -4.53 0.00 -0.03 0.59 4.77 -1.26 -2.21 117.00 114.33 1h54 n LEU 559 Ca 0.15 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 1h54 n LEU 559 Cb 0.40 -0.34 0.43 0.00 -2.33 0.00 0.00 43.42 41.57 1h54 n LEU 559 CO 0.31 -0.12 0.69 0.47 -1.33 0.00 0.00 177.39 177.40 1h54 n ASP 560 N -1.34 0.35 -4.55 -1.43 8.00 -0.16 -4.86 116.55 112.56 1h54 n ASP 560 Ca 0.08 -0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1h54 n ASP 560 Cb 0.17 -0.05 0.21 0.00 -0.02 0.00 0.00 41.12 41.43 1h54 n ASP 560 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1h54 s LYS 561 N -2.91 -0.31 -1.18 -1.24 1.02 -0.94 -4.90 119.74 109.29 1h54 s LYS 561 Ca 0.15 0.56 -0.15 0.00 0.02 0.00 0.00 55.97 56.55 1h54 s LYS 561 Cb 0.18 -1.65 0.15 0.00 -0.52 0.00 0.00 37.83 36.00 1h54 s LYS 561 CO 0.60 -3.24 1.43 0.34 -0.92 0.00 0.00 175.35 173.57 1h54 s ASP 562 N -3.14 6.99 0.07 2.83 3.68 -1.26 -4.98 116.67 120.86 1h54 s ASP 562 Ca 0.67 -2.81 -0.31 0.00 2.13 0.00 0.00 52.55 52.23 1h54 s ASP 562 Cb -0.20 -2.42 -0.09 0.00 -1.45 0.00 0.00 42.92 38.76 1h54 s ASP 562 CO 0.60 -0.84 1.72 -0.63 0.13 0.00 0.00 175.17 176.15 1h54 s ILE 563 N 2.02 2.96 -0.14 4.11 1.01 -1.26 -4.57 121.20 125.34 1h54 s ILE 563 Ca 0.43 0.37 -0.18 0.00 0.00 0.00 0.00 60.65 61.26 1h54 s ILE 563 Cb -0.02 -3.24 0.05 0.00 0.01 0.00 0.00 42.46 39.26 1h54 s ILE 563 CO -0.00 -0.01 0.48 -0.70 0.00 0.00 0.00 174.94 174.71 1h54 s GLU 564 N 2.90 0.65 0.74 2.79 2.56 -1.26 -5.11 118.70 121.97 1h54 s GLU 564 Ca 0.77 0.47 -0.14 0.00 0.00 0.00 0.00 54.97 56.06 1h54 s GLU 564 Cb -0.41 0.31 0.05 0.00 2.00 0.00 0.00 34.13 36.08 1h54 s GLU 564 CO 0.34 -0.12 1.17 -1.25 -0.56 0.00 0.00 175.26 174.83 1h54 s PRO 565 N -0.21 2.13 0.58 4.30 0.04 -1.26 -4.84 135.00 135.73 1h54 s PRO 565 Ca -0.04 1.59 0.34 0.00 0.04 0.00 0.00 61.00 62.93 1h54 s PRO 565 Cb -0.03 -1.85 1.74 0.00 0.04 0.00 0.00 34.50 34.40 1h54 s PRO 565 CO 0.02 -1.80 2.15 -0.39 0.04 0.00 0.00 177.00 177.02 1h54 h VAL 566 N -0.53 0.26 0.00 -0.36 -1.51 -1.40 -1.51 116.25 111.20 1h54 h VAL 566 Ca -0.46 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1h54 h VAL 566 Cb 1.27 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1h54 h VAL 566 CO 0.50 0.05 0.00 0.77 -1.23 0.00 0.00 177.57 177.66 1h54 h SER 567 N 0.00 0.00 0.32 4.19 4.64 -1.91 -0.74 113.55 120.06 1h54 h SER 567 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h54 h SER 567 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1h54 h SER 567 CO 0.01 0.00 -0.10 -1.20 -0.87 0.00 0.00 176.83 174.67 1h54 n SER 568 N -2.75 0.49 -4.71 4.97 7.64 -0.57 -4.80 113.62 113.89 1h54 n SER 568 Ca -0.02 -0.64 -0.40 0.00 1.01 0.00 0.00 58.87 58.82 1h54 n SER 568 Cb 0.10 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.19 1h54 n SER 568 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1h54 s ILE 569 N -2.42 4.99 0.06 0.44 1.01 -0.29 -4.98 121.20 120.01 1h54 s ILE 569 Ca 0.30 1.61 -0.34 0.00 0.00 0.00 0.00 60.65 62.22 1h54 s ILE 569 Cb 0.20 -4.12 -0.13 0.00 0.01 0.00 0.00 42.46 38.42 1h54 s ILE 569 CO 0.46 0.21 1.68 -2.65 0.00 0.00 0.00 174.94 174.64 1h54 n PRO 570 N 3.95 2.07 -0.34 2.79 -0.02 -1.26 -4.82 135.00 137.37 1h54 n PRO 570 Ca 0.01 0.75 0.23 0.00 -2.02 0.00 0.00 63.50 62.47 1h54 n PRO 570 Cb 0.51 -2.54 0.50 0.00 -0.02 0.00 0.00 33.50 31.95 1h54 n PRO 570 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h54 h ALA 571 N 7.06 2.17 0.00 3.55 0.00 -1.93 0.25 119.26 130.36 1h54 h ALA 571 Ca -0.46 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1h54 h ALA 571 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1h54 h ALA 571 CO 0.91 -0.63 0.00 0.38 0.00 0.00 0.00 179.25 179.90 1h54 h ASP 572 N 0.40 0.00 -0.43 0.00 2.03 -2.03 -2.86 116.42 113.53 1h54 h ASP 572 Ca 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.94 1h54 h ASP 572 Cb 1.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 1h54 h ASP 572 CO -0.37 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 177.84 1h54 n GLN 573 N -2.34 2.11 -4.62 4.15 6.02 0.88 -4.86 117.38 118.73 1h54 n GLN 573 Ca 0.03 -1.59 -0.34 0.00 -0.01 0.00 0.00 57.00 55.09 1h54 n GLN 573 Cb 0.30 -1.39 -0.11 0.00 1.02 0.00 0.00 30.24 30.06 1h54 n GLN 573 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1h54 s ARG 574 N -1.47 2.75 0.37 -1.09 0.52 -1.08 -2.85 118.95 116.10 1h54 s ARG 574 Ca 0.29 -0.54 -0.27 0.00 -0.52 0.00 0.00 55.73 54.69 1h54 s ARG 574 Cb 0.16 -2.60 -0.09 0.00 0.52 0.00 0.00 34.95 32.94 1h54 s ARG 574 CO 0.19 0.66 1.22 -1.25 0.02 0.00 0.00 175.30 176.14 1h54 s PRO 575 N -0.81 4.19 0.50 3.54 0.04 -1.26 -5.04 135.00 136.16 1h54 s PRO 575 Ca 0.12 1.99 0.25 0.00 0.04 0.00 0.00 61.00 63.40 1h54 s PRO 575 Cb -0.11 -2.85 1.32 0.00 0.04 0.00 0.00 34.50 32.90 1h54 s PRO 575 CO 0.01 -0.25 2.02 -0.84 0.04 0.00 0.00 177.00 177.99 1h54 h ILE 576 N 2.62 0.63 0.00 0.56 3.07 -1.94 -2.16 117.51 120.30 1h54 h ILE 576 Ca -0.49 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.27 1h54 h ILE 576 Cb 1.23 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.20 1h54 h ILE 576 CO 0.64 0.15 0.00 -0.46 -1.05 0.00 0.00 178.15 177.43 1h54 n ASN 577 N -3.67 0.50 -0.59 2.16 6.94 -1.26 -0.46 115.26 118.88 1h54 n ASN 577 Ca -0.02 0.64 0.09 0.00 -0.02 0.00 0.00 54.58 55.27 1h54 n ASN 577 Cb 0.27 -0.74 0.04 0.00 -2.36 0.00 0.00 39.78 36.99 1h54 n ASN 577 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1h54 n GLN 578 N -2.06 1.61 0.00 -3.83 6.02 -0.82 -4.69 117.38 113.61 1h54 n GLN 578 Ca 0.02 -1.26 0.00 0.00 -0.01 0.00 0.00 57.00 55.75 1h54 n GLN 578 Cb 0.19 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1h54 n GLN 578 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1h54 n ASN 579 N 0.49 3.19 -4.93 1.08 4.13 -0.54 -5.03 115.26 113.64 1h54 n ASN 579 Ca 0.09 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.10 1h54 n ASN 579 Cb 0.44 0.07 -0.02 0.00 -1.54 0.00 0.00 39.78 38.72 1h54 n ASN 579 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1h54 s TRP 580 N -1.76 3.49 0.39 3.10 0.51 0.40 -5.08 118.94 119.97 1h54 s TRP 580 Ca 0.00 0.38 -0.24 0.00 -2.12 0.00 0.00 56.10 54.12 1h54 s TRP 580 Cb 0.00 -1.90 -0.09 0.00 -0.81 0.00 0.00 33.47 30.67 1h54 s TRP 580 CO 0.00 0.24 1.03 -1.54 -0.51 0.00 0.00 176.95 176.17 1h54 s SER 581 N -3.55 6.86 0.31 2.95 1.04 -1.26 -4.83 113.70 115.22 1h54 s SER 581 Ca 0.40 1.99 0.07 0.00 0.48 0.00 0.00 55.95 58.89 1h54 s SER 581 Cb -0.10 -2.58 0.78 0.00 0.10 0.00 0.00 66.02 64.22 1h54 s SER 581 CO 0.32 -0.42 1.76 -0.25 0.98 0.00 0.00 173.24 175.63 1h54 h TRP 582 N 2.57 1.05 -0.65 5.02 2.91 -1.97 -1.73 115.95 123.15 1h54 h TRP 582 Ca -0.48 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.58 1h54 h TRP 582 Cb 1.21 -0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 29.52 1h54 h TRP 582 CO 0.59 0.18 0.42 0.38 -1.03 0.00 0.00 178.44 178.98 1h54 h ASP 583 N 0.70 0.76 -0.49 2.65 2.03 -1.99 0.25 116.42 120.32 1h54 h ASP 583 Ca 0.60 -0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 56.84 1h54 h ASP 583 Cb 1.00 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.29 1h54 h ASP 583 CO -0.41 0.56 0.18 0.50 -1.03 0.00 0.00 179.24 179.03 1h54 h LYS 584 N 0.88 0.75 -0.37 4.15 3.64 -1.71 -1.72 116.57 122.20 1h54 h LYS 584 Ca 0.24 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1h54 h LYS 584 Cb -0.08 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1h54 h LYS 584 CO -0.05 0.69 0.19 0.82 -2.27 0.00 0.00 179.45 178.83 1h54 h ILE 585 N 0.66 0.99 0.29 2.00 2.04 -1.03 -1.57 117.51 120.89 1h54 h ILE 585 Ca 0.16 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1h54 h ILE 585 Cb 0.23 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1h54 h ILE 585 CO -0.01 0.07 -0.14 -0.07 0.00 0.00 0.00 178.15 178.00 1h54 h LEU 586 N 0.39 -0.33 -1.27 1.44 3.38 -0.65 -3.07 115.31 115.20 1h54 h LEU 586 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1h54 h LEU 586 Cb 0.05 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1h54 h LEU 586 CO -0.10 -0.19 -0.05 0.08 0.09 0.00 0.00 178.44 178.26 1h54 h ARG 587 N -0.44 0.00 -7.27 1.13 0.11 -1.29 -3.44 114.38 103.19 1h54 h ARG 587 Ca -0.04 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.55 1h54 h ARG 587 Cb 0.33 0.00 0.18 0.00 1.11 0.00 0.00 29.97 31.59 1h54 h ARG 587 CO 0.07 0.05 0.21 -1.54 0.10 0.00 0.00 179.97 178.86 1h54 s SER 588 N -5.85 2.97 0.00 0.08 1.04 -0.60 -4.71 113.70 106.62 1h54 s SER 588 Ca 0.01 1.84 0.12 0.00 0.48 0.00 0.00 55.95 58.40 1h54 s SER 588 Cb 0.09 -2.42 0.38 0.00 0.10 0.00 0.00 66.02 64.17 1h54 s SER 588 CO 0.58 -3.01 1.30 -0.81 0.98 0.00 0.00 173.24 172.27 1h54 n PRO 589 N -4.15 1.71 -2.73 4.02 -0.04 -1.26 -4.91 135.00 127.63 1h54 n PRO 589 Ca 0.09 -1.10 -0.41 0.00 -0.04 0.00 0.00 63.50 62.03 1h54 n PRO 589 Cb 0.53 -1.27 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 1h54 n PRO 589 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1h54 s TYR 590 N -1.63 3.74 -0.19 0.54 2.02 -1.26 -4.84 117.35 115.75 1h54 s TYR 590 Ca 0.23 1.74 -0.06 0.00 -0.37 0.00 0.00 57.07 58.61 1h54 s TYR 590 Cb 0.12 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 1h54 s TYR 590 CO 0.17 0.12 0.04 0.42 -1.57 0.00 0.00 175.55 174.72 1h54 s ILE 591 N 0.43 4.50 0.08 2.71 1.01 0.40 -4.84 121.20 125.49 1h54 s ILE 591 Ca 0.49 -0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.82 1h54 s ILE 591 Cb -0.22 -3.03 -0.09 0.00 0.01 0.00 0.00 42.46 39.13 1h54 s ILE 591 CO 0.29 0.45 1.48 0.50 0.00 0.00 0.00 174.94 177.66 1h54 h LYS 592 N 6.92 0.45 -3.15 2.79 3.64 -1.90 0.16 116.57 125.47 1h54 h LYS 592 Ca -0.36 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1h54 h LYS 592 Cb 1.17 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1h54 h LYS 592 CO 0.67 0.66 0.17 1.14 -2.27 0.00 0.00 179.45 179.82 1h54 s GLN 593 N -4.82 1.88 0.13 1.90 -2.07 -1.26 -1.02 119.66 114.40 1h54 s GLN 593 Ca -0.14 -1.19 -0.35 0.00 -1.82 0.00 0.00 55.36 51.87 1h54 s GLN 593 Cb 0.07 0.59 -0.16 0.00 -1.09 0.00 0.00 33.01 32.42 1h54 s GLN 593 CO 0.75 -0.86 1.25 0.41 -1.32 0.00 0.00 175.29 175.53 1h54 n GLY 594 N -0.47 0.25 0.89 2.60 0.00 -1.26 -4.33 105.19 102.86 1h54 n GLY 594 Ca -0.05 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1h54 n GLY 594 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h54 n ASP 595 N 2.26 0.00 -0.20 1.61 -0.08 -1.26 -4.28 116.55 114.60 1h54 n ASP 595 Ca 0.17 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.35 1h54 n ASP 595 Cb 0.22 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.69 1h54 n ASP 595 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1h54 h VAL 596 N 0.00 1.27 0.00 5.18 2.07 -1.93 -2.61 116.25 120.22 1h54 h VAL 596 Ca 0.00 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 1h54 h VAL 596 Cb 0.00 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1h54 h VAL 596 CO 0.00 0.41 -0.17 -0.07 0.02 0.00 0.00 177.57 177.76 1h54 h LEU 597 N 0.91 0.00 -0.40 2.57 3.38 -1.94 -1.66 115.31 118.17 1h54 h LEU 597 Ca 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1h54 h LEU 597 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1h54 h LEU 597 CO 0.03 0.17 -0.22 -0.61 0.09 0.00 0.00 178.44 177.90 1h54 h GLN 598 N 0.00 0.85 -0.42 1.13 5.75 -1.66 0.12 115.11 120.88 1h54 h GLN 598 Ca -0.00 -0.38 -0.12 0.00 -0.15 0.00 0.00 58.65 57.99 1h54 h GLN 598 Cb 0.57 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1h54 h GLN 598 CO 0.02 1.02 -0.24 0.78 -2.65 0.00 0.00 178.83 177.76 1h54 h GLY 599 N 0.66 0.93 1.28 2.39 0.00 -1.16 -1.28 103.07 105.88 1h54 h GLY 599 Ca 0.08 -0.82 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 1h54 h GLY 599 CO 0.06 0.74 -0.04 -2.22 0.00 0.00 0.00 176.54 175.08 1h54 h ILE 600 N 0.74 1.26 -0.75 2.60 2.04 -1.20 -1.91 117.51 120.29 1h54 h ILE 600 Ca 0.10 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 1h54 h ILE 600 Cb 0.78 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1h54 h ILE 600 CO 0.06 0.39 0.34 -0.25 0.00 0.00 0.00 178.15 178.69 1h54 h TRP 601 N 0.79 1.11 -0.07 1.37 7.01 -0.60 0.23 115.95 125.78 1h54 h TRP 601 Ca 0.14 -0.07 -0.07 0.00 2.11 0.00 0.00 58.89 61.00 1h54 h TRP 601 Cb 0.54 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1h54 h TRP 601 CO 0.03 0.82 -0.30 -0.44 -2.79 0.00 0.00 178.44 175.77 1h54 h ASP 602 N 1.07 0.13 -1.52 2.65 3.32 -0.86 -3.19 116.42 118.01 1h54 h ASP 602 Ca 0.26 -0.04 -0.53 0.00 0.02 0.00 0.00 57.03 56.73 1h54 h ASP 602 Cb 0.15 -0.04 -0.41 0.00 0.22 0.00 0.00 39.33 39.25 1h54 h ASP 602 CO -0.03 0.43 -0.85 0.49 -1.72 0.00 0.00 179.24 177.57 1h54 n PHE 603 N -4.14 2.83 0.26 4.55 3.01 -0.75 -4.90 117.46 118.32 1h54 n PHE 603 Ca -0.01 -3.19 0.14 0.00 1.01 0.00 0.00 57.45 55.40 1h54 n PHE 603 Cb 0.37 -0.22 0.82 0.00 -0.01 0.00 0.00 39.48 40.45 1h54 n PHE 603 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1h54 h ILE 604 N 2.65 0.65 -0.36 4.37 2.10 -0.55 -1.76 117.51 124.61 1h54 h ILE 604 Ca 0.18 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.12 1h54 h ILE 604 Cb 0.93 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 1h54 h ILE 604 CO 0.75 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 178.29 1h54 n ASP 605 N -4.04 3.27 -0.94 2.19 8.00 -1.26 -4.18 116.55 119.60 1h54 n ASP 605 Ca -0.02 -1.97 0.12 0.00 0.71 0.00 0.00 54.79 53.63 1h54 n ASP 605 Cb 0.14 -0.23 0.10 0.00 -0.02 0.00 0.00 41.12 41.11 1h54 n ASP 605 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1h54 n ASP 606 N 1.37 2.95 -4.29 -2.24 8.00 -0.66 -4.91 116.55 116.77 1h54 n ASP 606 Ca 0.19 -1.98 -0.26 0.00 0.71 0.00 0.00 54.79 53.45 1h54 n ASP 606 Cb 0.58 0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 41.57 1h54 n ASP 606 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1h54 s TYR 607 N -2.02 1.93 0.64 1.24 2.02 -1.25 -5.14 117.35 114.77 1h54 s TYR 607 Ca 0.28 -0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.45 1h54 s TYR 607 Cb 0.20 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 1h54 s TYR 607 CO 0.31 0.17 1.05 0.95 -1.57 0.00 0.00 175.55 176.47 1h54 s THR 608 N -0.97 4.00 0.46 -0.71 -4.23 -1.26 -4.84 115.64 108.09 1h54 s THR 608 Ca 0.08 0.79 0.18 0.00 -1.18 0.00 0.00 61.69 61.56 1h54 s THR 608 Cb -0.10 -3.43 0.35 0.00 1.34 0.00 0.00 72.50 70.67 1h54 s THR 608 CO 0.03 -0.71 1.97 -0.65 -0.54 0.00 0.00 174.62 174.73 1h54 h PRO 609 N -0.10 0.27 -0.39 3.99 0.11 -1.99 -0.68 132.00 133.22 1h54 h PRO 609 Ca -0.45 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1h54 h PRO 609 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1h54 h PRO 609 CO 0.58 0.18 -0.30 0.93 -0.21 0.00 0.00 178.00 179.17 1h54 h GLU 610 N 0.28 0.89 -0.29 1.05 3.07 -1.99 -1.07 114.58 116.52 1h54 h GLU 610 Ca 0.28 -0.44 -0.08 0.00 -0.50 0.00 0.00 59.36 58.63 1h54 h GLU 610 Cb 0.74 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1h54 h GLU 610 CO -0.06 1.09 -0.12 1.96 -1.40 0.00 0.00 179.01 180.48 1h54 h GLN 611 N 0.70 0.58 -0.47 2.33 4.20 -1.56 -2.31 115.11 118.58 1h54 h GLN 611 Ca 0.07 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 1h54 h GLN 611 Cb 0.89 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1h54 h GLN 611 CO 0.08 0.81 0.07 0.87 -0.67 0.00 0.00 178.83 179.99 1h54 h LYS 612 N 0.33 0.73 -0.03 1.46 1.57 -1.14 -1.66 116.57 117.82 1h54 h LYS 612 Ca 0.07 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1h54 h LYS 612 Cb 0.63 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1h54 h LYS 612 CO 0.04 0.70 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.39 1h54 h LYS 613 N 0.70 0.07 -0.69 3.15 3.64 -1.14 -0.42 116.57 121.89 1h54 h LYS 613 Ca 0.15 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1h54 h LYS 613 Cb 0.34 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1h54 h LYS 613 CO 0.01 0.43 0.42 0.00 -2.27 0.00 0.00 179.45 178.04 1h54 h ALA 614 N 0.64 0.90 -0.20 5.00 0.00 -1.28 0.21 119.26 124.53 1h54 h ALA 614 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1h54 h ALA 614 Cb 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1h54 h ALA 614 CO 0.00 0.18 -0.49 -0.91 0.00 0.00 0.00 179.25 178.04 1h54 h ASN 615 N 0.82 0.77 -0.05 0.00 2.35 -1.29 -2.47 115.58 115.71 1h54 h ASN 615 Ca 0.28 -0.57 -0.01 0.00 -0.55 0.00 0.00 56.30 55.45 1h54 h ASN 615 Cb 0.04 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1h54 h ASN 615 CO -0.12 1.20 0.00 0.15 -1.65 0.00 0.00 177.43 177.01 1h54 h PHE 616 N 0.37 0.09 -0.48 1.19 3.57 -0.87 -1.56 116.94 119.25 1h54 h PHE 616 Ca -0.01 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 1h54 h PHE 616 Cb 1.10 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1h54 h PHE 616 CO 0.09 0.36 0.33 -0.44 -2.23 0.00 0.00 178.31 176.42 1h54 h ASP 617 N -0.21 0.25 0.06 0.41 3.45 -0.65 -1.32 116.42 118.42 1h54 h ASP 617 Ca 0.01 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.34 1h54 h ASP 617 Cb 0.32 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1h54 h ASP 617 CO 0.00 0.16 -0.67 0.15 -1.57 0.00 0.00 179.24 177.31 1h54 h PHE 618 N 0.28 0.23 0.19 4.55 3.57 -1.29 -3.41 116.94 121.05 1h54 h PHE 618 Ca 0.22 -0.17 -0.33 0.00 3.53 0.00 0.00 57.97 61.23 1h54 h PHE 618 Cb 0.51 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.25 1h54 h PHE 618 CO -0.00 1.26 -1.57 1.88 -2.23 0.00 0.00 178.31 177.65 1h54 h TYR 619 N -0.70 0.71 -0.97 0.41 -1.99 -1.15 -3.38 116.97 109.89 1h54 h TYR 619 Ca -0.15 -0.52 0.13 0.00 2.00 0.00 0.00 58.73 60.20 1h54 h TYR 619 Cb 1.36 -0.03 -0.08 0.00 2.00 0.00 0.00 36.73 39.98 1h54 h TYR 619 CO 0.20 1.53 0.62 1.49 -0.00 0.00 0.00 178.16 182.00 1h54 h GLU 620 N 0.11 0.87 0.00 4.88 4.22 -1.45 0.11 114.58 123.31 1h54 h GLU 620 Ca -0.27 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.12 1h54 h GLU 620 Cb 2.09 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1h54 h GLU 620 CO 0.21 0.58 0.00 -2.30 -2.18 0.00 0.00 179.01 175.31 1h54 n PRO 621 N -4.61 0.04 0.00 0.92 -0.02 -1.26 -2.08 135.00 127.98 1h54 n PRO 621 Ca 0.19 0.28 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1h54 n PRO 621 Cb 0.40 -1.57 -0.01 0.00 -0.02 0.00 0.00 33.50 32.30 1h54 n PRO 621 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1h54 n LEU 622 N -1.64 1.82 -4.66 2.45 4.77 0.32 -1.05 117.00 119.01 1h54 n LEU 622 Ca 0.03 -0.74 -0.39 0.00 -0.03 0.00 0.00 56.01 54.89 1h54 n LEU 622 Cb 0.19 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1h54 n LEU 622 CO 0.15 0.35 0.20 -0.89 -1.33 0.00 0.00 177.39 175.87 1h54 s THR 623 N -2.36 5.12 -1.56 -5.08 2.01 -0.88 -0.45 115.64 112.44 1h54 s THR 623 Ca 0.16 0.87 0.28 0.00 0.31 0.00 0.00 61.69 63.31 1h54 s THR 623 Cb 0.16 -3.81 0.37 0.00 0.01 0.00 0.00 72.50 69.24 1h54 s THR 623 CO 0.55 0.18 1.78 1.33 -0.69 0.00 0.00 174.62 177.77 1h54 n VAL 624 N 4.60 0.00 -3.72 3.82 0.24 0.55 -4.90 118.33 118.93 1h54 n VAL 624 Ca -0.06 -0.06 -0.25 0.00 -2.04 0.00 0.00 64.34 61.94 1h54 n VAL 624 Cb 0.50 -0.02 0.03 0.00 -1.47 0.00 0.00 33.84 32.88 1h54 n VAL 624 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1h54 n HIS 625 N -0.99 -1.89 -1.16 6.34 8.25 -1.20 -4.86 115.22 119.71 1h54 n HIS 625 Ca 0.13 0.71 -0.28 0.00 -0.26 0.00 0.00 57.72 58.02 1h54 n HIS 625 Cb 0.30 -3.96 0.10 0.00 1.12 0.00 0.00 29.99 27.55 1h54 n HIS 625 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1h54 n GLU 626 N -4.20 2.38 -3.96 -0.41 1.02 -0.18 -4.80 120.64 110.49 1h54 n GLU 626 Ca -0.23 -2.84 -0.14 0.00 -0.02 0.00 0.00 57.16 53.93 1h54 n GLU 626 Cb 0.65 -2.11 -0.15 0.00 -0.02 0.00 0.00 31.44 29.81 1h54 n GLU 626 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1h54 s SER 627 N -1.29 0.25 0.45 1.62 0.15 -1.24 -4.96 113.70 108.69 1h54 s SER 627 Ca 0.56 -0.03 0.18 0.00 0.70 0.00 0.00 55.95 57.35 1h54 s SER 627 Cb 0.44 -0.06 1.13 0.00 -1.71 0.00 0.00 66.02 65.82 1h54 s SER 627 CO 0.02 -0.01 1.94 0.28 1.20 0.00 0.00 173.24 176.68 1h54 h SER 628 N 6.40 0.30 0.32 5.45 0.02 -1.95 -2.52 113.55 121.57 1h54 h SER 628 Ca -0.30 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1h54 h SER 628 Cb 1.18 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1h54 h SER 628 CO 0.50 0.16 -0.77 0.18 -1.14 0.00 0.00 176.83 175.76 1h54 n LEU 629 N -4.45 0.69 -0.24 5.07 4.77 -1.26 -4.39 117.00 117.18 1h54 n LEU 629 Ca 0.13 -0.17 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1h54 n LEU 629 Cb 0.53 -0.14 0.13 0.00 -2.33 0.00 0.00 43.42 41.61 1h54 n LEU 629 CO 0.34 0.15 1.06 -1.28 -1.33 0.00 0.00 177.39 176.33 1h54 h SER 630 N 0.00 0.44 -0.74 -1.43 0.87 -1.80 -1.83 113.55 109.06 1h54 h SER 630 Ca 0.00 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1h54 h SER 630 Cb 0.55 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 1h54 h SER 630 CO 0.00 0.26 0.36 -0.65 -0.53 0.00 0.00 176.83 176.27 1h54 h PRO 631 N 0.58 1.08 -0.34 2.24 0.11 -1.77 -2.02 132.00 131.89 1h54 h PRO 631 Ca 0.34 -0.15 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 1h54 h PRO 631 Cb 0.35 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1h54 h PRO 631 CO -0.26 0.83 0.01 0.00 -0.21 0.00 0.00 178.00 178.37 1h54 h ALA 632 N 1.32 0.46 -0.58 -0.75 0.00 -1.59 0.03 119.26 118.15 1h54 h ALA 632 Ca 0.26 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1h54 h ALA 632 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1h54 h ALA 632 CO -0.03 0.21 -0.01 0.82 0.00 0.00 0.00 179.25 180.24 1h54 h ILE 633 N 0.41 1.27 0.00 0.00 1.08 -1.26 -2.37 117.51 116.64 1h54 h ILE 633 Ca 0.10 -1.15 -0.10 0.00 -0.39 0.00 0.00 64.86 63.32 1h54 h ILE 633 Cb 0.43 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1h54 h ILE 633 CO 0.02 0.42 -0.45 0.45 -0.69 0.00 0.00 178.15 177.89 1h54 h HIS 634 N 0.93 0.00 -0.40 1.37 3.86 -1.31 -2.48 115.15 117.12 1h54 h HIS 634 Ca 0.16 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 1h54 h HIS 634 Cb 0.57 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 1h54 h HIS 634 CO 0.04 0.45 0.13 1.03 0.86 0.00 0.00 177.93 180.44 1h54 h SER 635 N 0.00 0.59 -0.43 2.45 0.87 -0.63 0.38 113.55 116.78 1h54 h SER 635 Ca -0.00 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1h54 h SER 635 Cb 0.98 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1h54 h SER 635 CO 0.06 0.63 0.22 0.58 -0.53 0.00 0.00 176.83 177.79 1h54 h VAL 636 N 0.51 1.17 -0.37 2.23 2.07 -1.23 -0.53 116.25 120.10 1h54 h VAL 636 Ca 0.13 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1h54 h VAL 636 Cb 0.26 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1h54 h VAL 636 CO -0.00 0.18 -0.04 -0.07 0.02 0.00 0.00 177.57 177.66 1h54 h LEU 637 N 0.56 0.57 -0.04 2.57 3.38 -1.26 0.37 115.31 121.45 1h54 h LEU 637 Ca 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1h54 h LEU 637 Cb 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1h54 h LEU 637 CO -0.02 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.18 1h54 h ALA 638 N 1.40 0.05 -1.00 1.53 0.00 -0.55 -2.41 119.26 118.28 1h54 h ALA 638 Ca 0.11 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1h54 h ALA 638 Cb 0.42 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1h54 h ALA 638 CO 0.02 -0.28 0.66 0.00 0.00 0.00 0.00 179.25 179.65 1h54 h ALA 639 N 0.71 1.30 -0.04 0.00 0.00 -0.86 0.18 119.26 120.56 1h54 h ALA 639 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1h54 h ALA 639 Cb 0.32 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1h54 h ALA 639 CO 0.00 0.64 0.03 0.22 0.00 0.00 0.00 179.25 180.14 1h54 h ASP 640 N 1.34 0.00 -0.25 0.00 1.82 -0.76 -0.32 116.42 118.25 1h54 h ASP 640 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 1h54 h ASP 640 Cb -0.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.89 1h54 h ASP 640 CO -0.09 0.00 0.00 0.18 -1.61 0.00 0.00 179.24 177.72 1h54 n LEU 641 N -4.41 2.75 -0.55 2.28 4.77 -0.30 -4.94 117.00 116.61 1h54 n LEU 641 Ca -0.02 -1.12 -0.07 0.00 -0.03 0.00 0.00 56.01 54.77 1h54 n LEU 641 Cb 0.13 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1h54 n LEU 641 CO 0.33 0.56 -0.07 1.41 -1.33 0.00 0.00 177.39 178.30 1h54 n HIS 642 N 1.05 -0.05 -2.40 -1.77 8.25 -0.13 -4.93 115.22 115.24 1h54 n HIS 642 Ca 0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 1h54 n HIS 642 Cb 0.51 -1.53 0.00 0.00 1.12 0.00 0.00 29.99 30.09 1h54 n HIS 642 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1h54 n TYR 643 N -3.02 3.20 0.02 4.41 0.53 -0.10 -4.83 117.16 117.37 1h54 n TYR 643 Ca -0.07 -2.86 -0.10 0.00 -1.02 0.00 0.00 57.90 53.85 1h54 n TYR 643 Cb 0.28 -1.99 -0.03 0.00 -1.03 0.00 0.00 39.34 36.56 1h54 n TYR 643 CO 0.00 0.00 0.00 0.93 -1.02 0.00 0.00 176.86 176.77 1h54 h GLU 644 N 5.92 -0.24 -0.41 -0.72 5.08 -1.90 0.62 114.58 122.94 1h54 h GLU 644 Ca 0.39 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.78 1h54 h GLU 644 Cb 0.66 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1h54 h GLU 644 CO 1.59 -0.16 0.25 -0.44 -1.00 0.00 0.00 179.01 179.25 1h54 h ASP 645 N -0.25 0.41 -0.67 1.42 3.32 -1.98 -1.32 116.42 117.37 1h54 h ASP 645 Ca 0.08 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1h54 h ASP 645 Cb 0.36 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1h54 h ASP 645 CO -0.23 0.30 0.33 0.50 -1.72 0.00 0.00 179.24 178.42 1h54 h LYS 646 N 0.51 0.97 -0.54 3.56 1.63 -1.90 0.54 116.57 121.33 1h54 h LYS 646 Ca 0.16 -0.13 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 1h54 h LYS 646 Cb -0.01 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 1h54 h LYS 646 CO -0.06 0.75 0.14 0.00 -3.45 0.00 0.00 179.45 176.82 1h54 h ALA 647 N 1.40 0.72 -0.34 5.00 0.00 -0.39 -1.36 119.26 124.27 1h54 h ALA 647 Ca 0.24 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1h54 h ALA 647 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1h54 h ALA 647 CO -0.03 0.41 -0.03 0.28 0.00 0.00 0.00 179.25 179.88 1h54 h VAL 648 N 0.77 1.27 -0.17 0.00 2.07 -0.71 -1.12 116.25 118.34 1h54 h VAL 648 Ca 0.17 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1h54 h VAL 648 Cb 0.33 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1h54 h VAL 648 CO 0.00 0.34 0.04 -0.08 0.02 0.00 0.00 177.57 177.89 1h54 h GLU 649 N 0.42 0.11 -0.34 1.57 4.81 -0.77 -1.45 114.58 118.93 1h54 h GLU 649 Ca 0.09 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1h54 h GLU 649 Cb 0.50 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1h54 h GLU 649 CO 0.02 0.07 0.08 -0.07 -0.73 0.00 0.00 179.01 178.39 1h54 h LEU 650 N 0.11 0.45 -0.61 1.64 3.38 -1.17 -2.81 115.31 116.31 1h54 h LEU 650 Ca 0.08 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1h54 h LEU 650 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1h54 h LEU 650 CO -0.10 0.46 -0.17 0.22 0.09 0.00 0.00 178.44 178.94 1h54 h TYR 651 N 0.49 1.04 0.00 1.13 3.20 -0.53 -3.28 116.97 119.02 1h54 h TYR 651 Ca 0.12 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1h54 h TYR 651 Cb 0.19 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1h54 h TYR 651 CO 0.01 1.01 0.33 -1.13 -1.64 0.00 0.00 178.16 176.74 1h54 n SER 652 N -4.13 0.23 -0.70 -2.11 3.41 -0.61 -1.22 113.62 108.49 1h54 n SER 652 Ca 0.01 0.46 0.08 0.00 -0.26 0.00 0.00 58.87 59.15 1h54 n SER 652 Cb 0.42 -0.39 0.11 0.00 -0.26 0.00 0.00 64.21 64.09 1h54 n SER 652 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1h54 n ARG 653 N -1.84 1.66 -0.09 4.33 5.12 -1.24 -4.70 116.66 119.91 1h54 n ARG 653 Ca -0.01 -1.68 -0.17 0.00 -1.93 0.00 0.00 57.85 54.07 1h54 n ARG 653 Cb 0.35 -1.32 -0.10 0.00 -1.16 0.00 0.00 32.46 30.23 1h54 n ARG 653 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1h54 h THR 654 N 2.97 0.92 -0.43 0.55 1.35 -1.38 -3.41 112.91 113.50 1h54 h THR 654 Ca 0.00 -1.98 -0.01 0.00 -0.55 0.00 0.00 66.41 63.87 1h54 h THR 654 Cb 0.70 2.04 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 1h54 h THR 654 CO 0.00 0.31 0.23 0.00 -0.25 0.00 0.00 175.52 175.81 1h54 h ALA 655 N -0.49 0.55 -0.76 6.62 0.00 -1.84 -3.32 119.26 120.02 1h54 h ALA 655 Ca -0.21 -0.09 -0.37 0.00 0.00 0.00 0.00 54.91 54.25 1h54 h ALA 655 Cb 1.05 -0.17 -0.22 0.00 0.00 0.00 0.00 17.79 18.45 1h54 h ALA 655 CO -0.12 0.08 0.38 0.54 0.00 0.00 0.00 179.25 180.13 1h54 n ARG 656 N -4.70 2.38 -0.22 0.00 1.74 -1.26 -4.67 116.66 109.93 1h54 n ARG 656 Ca 0.01 -3.07 0.03 0.00 -0.77 0.00 0.00 57.85 54.05 1h54 n ARG 656 Cb 0.09 -2.08 0.14 0.00 -1.02 0.00 0.00 32.46 29.59 1h54 n ARG 656 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1h54 h LEU 657 N 1.28 -0.05 0.05 0.55 5.85 -1.79 -1.08 115.31 120.12 1h54 h LEU 657 Ca 0.45 0.13 -0.16 0.00 0.84 0.00 0.00 57.88 59.15 1h54 h LEU 657 Cb 2.42 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 43.64 1h54 h LEU 657 CO 0.83 -0.03 -0.80 0.44 -0.34 0.00 0.00 178.44 178.54 1h54 h ASP 658 N 0.24 0.17 -0.67 1.25 3.45 -1.91 0.53 116.42 119.47 1h54 h ASP 658 Ca 0.36 -0.84 0.15 0.00 0.43 0.00 0.00 57.03 57.13 1h54 h ASP 658 Cb 0.58 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.25 1h54 h ASP 658 CO -0.47 1.34 0.46 -0.07 -1.57 0.00 0.00 179.24 178.93 1h54 h LEU 659 N -0.72 0.26 -2.94 1.55 3.38 -1.84 -0.81 115.31 114.19 1h54 h LEU 659 Ca -0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1h54 h LEU 659 Cb 1.37 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1h54 h LEU 659 CO -0.01 0.14 0.00 0.47 0.09 0.00 0.00 178.44 179.13 1h54 n ASP 660 N -4.44 3.20 -4.01 -0.43 8.00 -0.42 -4.47 116.55 113.98 1h54 n ASP 660 Ca 0.13 -2.17 -0.30 0.00 0.71 0.00 0.00 54.79 53.16 1h54 n ASP 660 Cb 0.54 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 1h54 n ASP 660 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1h54 n ASN 661 N 0.45 -1.22 -0.36 -2.24 5.15 -0.31 0.10 115.26 116.84 1h54 n ASN 661 Ca 0.14 -1.11 0.10 0.00 -0.60 0.00 0.00 54.58 53.11 1h54 n ASN 661 Cb 0.52 -2.59 0.28 0.00 -0.53 0.00 0.00 39.78 37.46 1h54 n ASN 661 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1h54 h TYR 662 N -1.94 1.11 -0.60 1.20 0.99 -1.15 -2.10 116.97 114.49 1h54 h TYR 662 Ca -0.65 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.11 1h54 h TYR 662 Cb 1.38 -0.34 0.00 0.00 1.00 0.00 0.00 36.73 38.77 1h54 h TYR 662 CO 0.46 0.35 0.00 0.09 -0.00 0.00 0.00 178.16 179.05 1h54 n ASN 663 N -4.69 3.25 -2.07 3.88 5.03 -1.26 -4.65 115.26 114.74 1h54 n ASN 663 Ca 0.21 -1.99 -0.16 0.00 0.87 0.00 0.00 54.58 53.51 1h54 n ASN 663 Cb 0.46 -0.40 -0.03 0.00 -1.02 0.00 0.00 39.78 38.79 1h54 n ASN 663 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1h54 n ASN 664 N 1.28 -4.58 -0.35 6.41 4.13 -0.93 -4.79 115.26 116.42 1h54 n ASN 664 Ca 0.20 0.21 0.01 0.00 1.68 0.00 0.00 54.58 56.68 1h54 n ASN 664 Cb 0.52 -3.96 0.01 0.00 -1.54 0.00 0.00 39.78 34.81 1h54 n ASN 664 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1h54 n ASP 665 N -1.51 0.22 0.00 6.41 3.85 -1.26 -4.76 116.55 119.50 1h54 n ASP 665 Ca -0.18 -1.88 0.08 0.00 -0.71 0.00 0.00 54.79 52.10 1h54 n ASP 665 Cb 0.60 -0.17 0.37 0.00 -1.35 0.00 0.00 41.12 40.57 1h54 n ASP 665 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1h54 n THR 666 N -0.12 0.79 0.22 2.12 -1.04 -1.26 -1.95 114.28 113.03 1h54 n THR 666 Ca 0.01 0.20 0.06 0.00 -2.04 0.00 0.00 64.05 62.27 1h54 n THR 666 Cb 0.64 -0.91 0.48 0.00 -1.82 0.00 0.00 70.33 68.73 1h54 n THR 666 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1h54 h THR 667 N 0.00 1.07 0.00 12.58 1.35 -1.86 -1.86 112.91 124.19 1h54 h THR 667 Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1h54 h THR 667 Cb 0.26 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1h54 h THR 667 CO 0.00 0.25 0.00 0.44 -0.25 0.00 0.00 175.52 175.96 1h54 h ASP 668 N 0.00 0.00 -2.70 5.36 3.32 -1.72 -3.42 116.42 117.26 1h54 h ASP 668 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h54 h ASP 668 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1h54 h ASP 668 CO 0.03 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1h54 n GLY 669 N 0.87 1.66 3.90 2.75 0.00 -0.70 -4.20 105.19 109.46 1h54 n GLY 669 Ca 0.03 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 1h54 n GLY 669 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h54 s LEU 670 N 0.00 3.11 -0.97 0.99 1.43 -1.26 -4.40 118.68 117.58 1h54 s LEU 670 Ca 0.00 0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 54.03 1h54 s LEU 670 Cb 0.00 -3.80 0.24 0.00 0.03 0.00 0.00 46.19 42.66 1h54 s LEU 670 CO 0.00 -1.14 0.93 1.41 0.23 0.00 0.00 176.35 177.77 1h54 n HIS 671 N -2.76 4.43 0.16 0.29 8.25 -1.26 -4.13 115.22 120.19 1h54 n HIS 671 Ca 0.05 -3.99 -0.14 0.00 -0.26 0.00 0.00 57.72 53.39 1h54 n HIS 671 Cb 0.57 -1.30 -0.06 0.00 1.12 0.00 0.00 29.99 30.32 1h54 n HIS 671 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1h54 h ILE 672 N 3.85 0.42 0.00 1.59 1.08 -1.14 -2.00 117.51 121.31 1h54 h ILE 672 Ca 0.17 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.64 1h54 h ILE 672 Cb 0.81 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1h54 h ILE 672 CO 0.93 0.00 0.00 0.71 -0.69 0.00 0.00 178.15 179.10 1h54 h THR 673 N -0.54 0.00 0.00 -0.27 1.35 -1.77 -0.38 112.91 111.30 1h54 h THR 673 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1h54 h THR 673 Cb 0.52 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1h54 h THR 673 CO -0.09 0.00 -0.37 -1.28 -0.25 0.00 0.00 175.52 173.53 1h54 h SER 674 N 0.00 0.00 0.00 5.36 0.87 -1.68 -3.33 113.55 114.77 1h54 h SER 674 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1h54 h SER 674 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1h54 h SER 674 CO 0.00 0.02 0.00 0.23 -0.53 0.00 0.00 176.83 176.55 1h54 n MET 675 N -2.69 0.94 0.07 2.24 2.00 -0.15 -3.25 117.12 116.29 1h54 n MET 675 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.85 1h54 n MET 675 Cb 0.50 -1.11 0.04 0.00 0.00 0.00 0.00 33.22 32.66 1h54 n MET 675 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1h54 n THR 676 N -0.61 0.44 -0.18 2.03 -2.24 -1.25 -4.40 114.28 108.08 1h54 n THR 676 Ca 0.05 -0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 1h54 n THR 676 Cb 0.02 -0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.11 1h54 n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1h54 h GLY 677 N 4.24 0.73 0.88 3.38 0.00 -1.84 -2.97 103.07 107.49 1h54 h GLY 677 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1h54 h GLY 677 CO 0.00 0.26 0.07 0.00 0.00 0.00 0.00 176.54 176.87 1h54 h ALA 678 N 1.19 0.20 -0.51 3.60 0.00 -1.83 -1.30 119.26 120.62 1h54 h ALA 678 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1h54 h ALA 678 Cb -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1h54 h ALA 678 CO -0.05 -0.36 0.32 2.35 0.00 0.00 0.00 179.25 181.51 1h54 h TRP 679 N 0.16 0.65 0.04 0.00 7.01 -1.82 -0.63 115.95 121.37 1h54 h TRP 679 Ca 0.08 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.11 1h54 h TRP 679 Cb 0.04 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.84 1h54 h TRP 679 CO -0.11 0.43 -0.23 0.82 -2.79 0.00 0.00 178.44 176.57 1h54 h ILE 680 N 0.68 0.48 -0.97 2.65 2.04 -1.33 0.35 117.51 121.41 1h54 h ILE 680 Ca 0.18 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.06 1h54 h ILE 680 Cb -0.04 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1h54 h ILE 680 CO -0.04 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.76 1h54 h ALA 681 N 0.45 1.31 0.29 1.87 0.00 -1.00 -0.28 119.26 121.91 1h54 h ALA 681 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1h54 h ALA 681 Cb 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1h54 h ALA 681 CO -0.18 0.63 -0.14 0.28 0.00 0.00 0.00 179.25 179.85 1h54 h VAL 682 N 1.31 0.62 0.01 0.00 2.07 -0.69 0.78 116.25 120.35 1h54 h VAL 682 Ca 0.36 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1h54 h VAL 682 Cb -0.13 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1h54 h VAL 682 CO -0.08 0.13 -0.00 0.58 0.02 0.00 0.00 177.57 178.21 1h54 h VAL 683 N -0.87 1.45 -0.11 2.57 2.07 -0.94 -0.75 116.25 119.68 1h54 h VAL 683 Ca -0.04 -2.01 -0.18 0.00 0.82 0.00 0.00 66.70 65.29 1h54 h VAL 683 Cb 0.52 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1h54 h VAL 683 CO 0.07 0.48 -0.69 1.56 0.02 0.00 0.00 177.57 179.01 1h54 h GLN 684 N -0.96 0.46 0.00 1.57 4.20 -1.22 -1.34 115.11 117.81 1h54 h GLN 684 Ca -0.00 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1h54 h GLN 684 Cb 0.79 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1h54 h GLN 684 CO 0.00 0.98 0.00 0.41 -0.67 0.00 0.00 178.83 179.55 1h54 n GLY 685 N 0.48 1.46 0.20 3.46 0.00 -0.92 -2.70 105.19 107.18 1h54 n GLY 685 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1h54 n GLY 685 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1h54 h PHE 686 N 0.00 0.08 0.00 1.61 0.05 -0.33 -1.76 116.94 116.59 1h54 h PHE 686 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1h54 h PHE 686 Cb 0.00 0.04 0.00 0.00 2.00 0.00 0.00 35.95 37.99 1h54 h PHE 686 CO 0.00 -0.06 -0.16 0.00 -0.18 0.00 0.00 178.31 177.91 1h54 n ALA 687 N -2.59 2.50 -2.61 2.45 0.00 -0.33 -1.37 120.51 118.55 1h54 n ALA 687 Ca 0.06 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 1h54 n ALA 687 Cb 0.26 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1h54 n ALA 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h54 n GLY 688 N 1.36 -0.45 3.77 0.00 0.00 -0.66 -0.82 105.19 108.38 1h54 n GLY 688 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1h54 n GLY 688 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1h54 s MET 689 N -5.24 4.38 -0.04 1.61 0.00 -0.53 -3.76 119.30 115.71 1h54 s MET 689 Ca 0.11 2.08 -0.29 0.00 0.00 0.00 0.00 55.69 57.60 1h54 s MET 689 Cb -0.05 -3.05 0.10 0.00 0.00 0.00 0.00 34.83 31.83 1h54 s MET 689 CO 0.14 -0.12 0.89 -0.98 0.00 0.00 0.00 175.02 174.95 1h54 s ARG 690 N -1.77 0.80 -0.21 4.11 1.70 -0.20 -4.59 118.95 118.79 1h54 s ARG 690 Ca 0.49 -0.15 -0.05 0.00 -0.47 0.00 0.00 55.73 55.55 1h54 s ARG 690 Cb -0.37 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.36 1h54 s ARG 690 CO 0.49 -0.32 -0.01 0.08 -1.08 0.00 0.00 175.30 174.46 1h54 s VAL 691 N -2.49 3.81 -0.17 4.99 1.01 -1.26 -0.27 120.40 126.02 1h54 s VAL 691 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1h54 s VAL 691 Cb -0.01 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.68 1h54 s VAL 691 CO -0.05 0.42 -0.09 -0.13 0.00 0.00 0.00 175.10 175.25 1h54 s ARG 692 N 1.14 1.81 -1.32 2.72 0.52 0.18 -4.84 118.95 119.16 1h54 s ARG 692 Ca 0.03 -0.60 -0.20 0.00 -0.52 0.00 0.00 55.73 54.44 1h54 s ARG 692 Cb -0.14 -2.11 0.02 0.00 0.52 0.00 0.00 34.95 33.24 1h54 s ARG 692 CO 0.01 -0.37 0.47 -0.25 0.02 0.00 0.00 175.30 175.18 1h54 n ASP 693 N 4.80 -2.38 0.00 0.23 8.00 -1.26 -0.49 116.55 125.45 1h54 n ASP 693 Ca -0.14 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1h54 n ASP 693 Cb 0.48 -1.98 0.00 0.00 -0.02 0.00 0.00 41.12 39.60 1h54 n ASP 693 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h54 n GLY 694 N -2.18 2.42 3.60 0.44 0.00 -1.26 -5.01 105.19 103.19 1h54 n GLY 694 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1h54 n GLY 694 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h54 s GLN 695 N -0.01 2.94 0.19 1.61 0.74 0.36 -5.10 119.66 120.39 1h54 s GLN 695 Ca 0.00 -0.51 -0.29 0.00 0.05 0.00 0.00 55.36 54.62 1h54 s GLN 695 Cb 0.00 -2.69 -0.08 0.00 1.10 0.00 0.00 33.01 31.34 1h54 s GLN 695 CO 0.00 0.61 0.90 -1.17 -0.55 0.00 0.00 175.29 175.08 1h54 s LEU 696 N -0.66 4.60 0.02 3.68 2.96 -1.26 -0.64 118.68 127.38 1h54 s LEU 696 Ca 0.10 1.83 0.01 0.00 -0.22 0.00 0.00 54.13 55.86 1h54 s LEU 696 Cb -0.12 -3.52 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1h54 s LEU 696 CO 0.02 0.13 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.84 1h54 s HIS 697 N -0.91 0.48 0.07 5.38 5.65 0.62 -0.98 115.29 125.60 1h54 s HIS 697 Ca 0.41 -0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.41 1h54 s HIS 697 Cb -0.25 -0.30 -0.04 0.00 -1.18 0.00 0.00 32.58 30.82 1h54 s HIS 697 CO 0.30 -0.06 -0.05 0.71 -0.65 0.00 0.00 174.74 174.99 1h54 s TYR 698 N -0.81 0.69 -0.43 3.88 2.02 -0.26 -1.03 117.35 121.41 1h54 s TYR 698 Ca -0.06 -0.92 0.05 0.00 -0.37 0.00 0.00 57.07 55.78 1h54 s TYR 698 Cb -0.06 -0.44 0.30 0.00 -0.40 0.00 0.00 41.96 41.36 1h54 s TYR 698 CO -0.00 -0.24 1.14 0.00 -1.57 0.00 0.00 175.55 174.89 1h54 n ALA 699 N 0.24 -1.54 -1.67 3.71 0.00 0.00 -0.77 120.51 120.48 1h54 n ALA 699 Ca -0.14 -1.17 -0.33 0.00 0.00 0.00 0.00 53.44 51.80 1h54 n ALA 699 Cb 0.60 -1.71 0.01 0.00 0.00 0.00 0.00 19.45 18.34 1h54 n ALA 699 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1h54 s PRO 700 N 0.29 3.34 0.09 0.00 0.04 -0.82 -4.24 135.00 133.71 1h54 s PRO 700 Ca 0.24 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.53 1h54 s PRO 700 Cb 0.28 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1h54 s PRO 700 CO -0.12 -0.80 -0.08 -0.59 0.04 0.00 0.00 177.00 175.45 1h54 s PHE 701 N -2.40 0.96 -0.22 0.56 -0.12 -0.47 -4.94 117.98 111.35 1h54 s PHE 701 Ca 0.64 -0.74 -0.07 0.00 -0.05 0.00 0.00 56.93 56.71 1h54 s PHE 701 Cb -0.16 -0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 41.66 1h54 s PHE 701 CO 0.36 -0.06 0.07 -1.17 -0.05 0.00 0.00 175.22 174.37 1h54 s LEU 702 N -2.61 3.60 0.36 -1.99 2.96 -1.26 -4.67 118.68 115.07 1h54 s LEU 702 Ca 0.07 -0.09 -0.28 0.00 -0.22 0.00 0.00 54.13 53.62 1h54 s LEU 702 Cb -0.00 -1.94 -0.12 0.00 0.50 0.00 0.00 46.19 44.63 1h54 s LEU 702 CO -0.02 0.05 1.31 -2.65 -1.32 0.00 0.00 176.35 173.73 1h54 n PRO 703 N 4.34 2.16 -0.27 0.98 -0.02 -1.26 -4.87 135.00 136.06 1h54 n PRO 703 Ca -0.16 0.76 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 1h54 n PRO 703 Cb 0.52 -2.38 0.22 0.00 -0.02 0.00 0.00 33.50 31.83 1h54 n PRO 703 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1h54 h LYS 704 N 2.51 0.23 -0.01 -0.52 1.57 -1.97 -1.50 116.57 116.87 1h54 h LYS 704 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1h54 h LYS 704 Cb 1.28 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1h54 h LYS 704 CO 0.62 0.15 -0.01 0.25 -0.57 0.00 0.00 179.45 179.90 1h54 n THR 705 N -5.20 0.00 -3.72 -0.16 -2.24 -1.26 -4.86 114.28 96.84 1h54 n THR 705 Ca 0.17 -0.15 -0.36 0.00 -2.27 0.00 0.00 64.05 61.44 1h54 n THR 705 Cb 0.54 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 1h54 n THR 705 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1h54 s TRP 706 N -2.03 3.62 -0.00 4.78 0.52 -0.57 -4.61 118.94 120.66 1h54 s TRP 706 Ca 0.41 0.68 0.11 0.00 0.02 0.00 0.00 56.10 57.33 1h54 s TRP 706 Cb 0.21 -2.06 -0.23 0.00 -1.15 0.00 0.00 33.47 30.25 1h54 s TRP 706 CO 0.36 0.66 0.82 1.79 0.02 0.00 0.00 176.95 180.59 1h54 h THR 707 N 3.50 1.06 -1.06 2.01 1.35 -1.14 -3.44 112.91 115.19 1h54 h THR 707 Ca -0.52 -2.88 0.35 0.00 -0.55 0.00 0.00 66.41 62.81 1h54 h THR 707 Cb 1.21 2.52 -0.18 0.00 -1.73 0.00 0.00 68.15 69.98 1h54 h THR 707 CO 0.62 0.61 0.98 -0.94 -0.25 0.00 0.00 175.52 176.54 1h54 s SER 708 N -6.24 -0.01 -0.14 5.36 1.04 -1.17 -4.27 113.70 108.26 1h54 s SER 708 Ca -0.03 -0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.28 1h54 s SER 708 Cb 0.08 0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.26 1h54 s SER 708 CO 0.82 -0.03 0.36 -0.72 0.98 0.00 0.00 173.24 174.65 1h54 s TYR 709 N -2.05 -0.41 -0.04 5.02 -0.85 -0.85 -1.29 117.35 116.87 1h54 s TYR 709 Ca 0.13 0.98 0.02 0.00 -0.52 0.00 0.00 57.07 57.68 1h54 s TYR 709 Cb 0.02 0.14 0.01 0.00 0.38 0.00 0.00 41.96 42.52 1h54 s TYR 709 CO -0.04 -0.21 -0.07 0.99 -1.52 0.00 0.00 175.55 174.70 1h54 s THR 710 N 0.40 0.67 0.09 -3.49 2.01 0.31 -0.37 115.64 115.25 1h54 s THR 710 Ca -0.02 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1h54 s THR 710 Cb -0.04 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1h54 s THR 710 CO -0.02 0.24 -0.07 0.72 -0.69 0.00 0.00 174.62 174.80 1h54 s PHE 711 N 0.57 0.88 0.01 4.92 -0.12 -0.30 0.46 117.98 124.40 1h54 s PHE 711 Ca -0.08 -0.80 -0.01 0.00 -0.05 0.00 0.00 56.93 55.99 1h54 s PHE 711 Cb -0.12 -0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 41.73 1h54 s PHE 711 CO 0.01 -0.11 0.11 1.03 -0.05 0.00 0.00 175.22 176.20 1h54 s ARG 712 N -3.28 3.15 -0.09 1.99 1.81 -0.66 -0.89 118.95 120.96 1h54 s ARG 712 Ca 0.07 -0.47 -0.07 0.00 -1.72 0.00 0.00 55.73 53.54 1h54 s ARG 712 Cb 0.01 -2.91 0.03 0.00 -0.45 0.00 0.00 34.95 31.64 1h54 s ARG 712 CO -0.03 0.64 0.24 -1.14 -0.68 0.00 0.00 175.30 174.33 1h54 s GLN 713 N -1.89 0.24 -0.24 3.54 0.74 -0.17 -4.52 119.66 117.36 1h54 s GLN 713 Ca 0.25 0.42 -0.12 0.00 0.05 0.00 0.00 55.36 55.96 1h54 s GLN 713 Cb -0.12 0.01 -0.05 0.00 1.10 0.00 0.00 33.01 33.95 1h54 s GLN 713 CO 0.17 -0.10 0.24 0.08 -0.55 0.00 0.00 175.29 175.13 1h54 s VAL 714 N 0.67 5.30 -0.12 1.34 1.01 0.07 -1.04 120.40 127.62 1h54 s VAL 714 Ca -0.04 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 1h54 s VAL 714 Cb -0.06 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.80 1h54 s VAL 714 CO -0.04 0.29 0.27 0.12 0.00 0.00 0.00 175.10 175.74 1h54 s PHE 715 N 1.29 -0.40 -1.51 5.22 2.19 -0.26 -4.70 117.98 119.81 1h54 s PHE 715 Ca 0.11 0.92 -0.01 0.00 0.33 0.00 0.00 56.93 58.28 1h54 s PHE 715 Cb -0.14 0.03 0.00 0.00 -1.31 0.00 0.00 43.02 41.60 1h54 s PHE 715 CO 0.07 -0.30 0.11 0.54 1.83 0.00 0.00 175.22 177.46 1h54 n ARG 716 N 4.77 -1.44 -1.07 10.12 5.12 -1.26 0.08 116.66 132.98 1h54 n ARG 716 Ca -0.16 0.16 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 1h54 n ARG 716 Cb 0.52 -3.77 -0.01 0.00 -1.16 0.00 0.00 32.46 28.04 1h54 n ARG 716 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1h54 n ASP 717 N -2.90 -3.86 -4.54 0.55 8.00 -1.26 -4.92 116.55 107.62 1h54 n ASP 717 Ca -0.32 0.06 -0.29 0.00 0.71 0.00 0.00 54.79 54.94 1h54 n ASP 717 Cb 0.69 -1.56 -0.10 0.00 -0.02 0.00 0.00 41.12 40.13 1h54 n ASP 717 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1h54 s ARG 718 N -1.29 1.99 -0.27 -1.24 3.00 0.11 -4.14 118.95 117.11 1h54 s ARG 718 Ca 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 55.73 54.59 1h54 s ARG 718 Cb 0.00 -2.21 0.03 0.00 0.00 0.00 0.00 34.95 32.77 1h54 s ARG 718 CO 0.00 0.49 -0.04 -1.17 0.00 0.00 0.00 175.30 174.58 1h54 s LEU 719 N -2.29 3.46 0.07 2.53 2.96 -0.49 -1.10 118.68 123.83 1h54 s LEU 719 Ca 0.21 -1.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.16 1h54 s LEU 719 Cb -0.11 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1h54 s LEU 719 CO 0.13 -0.18 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.26 1h54 s ILE 720 N 1.30 3.42 -0.16 6.68 1.01 -0.20 -0.80 121.20 132.45 1h54 s ILE 720 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.52 1h54 s ILE 720 Cb -0.18 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1h54 s ILE 720 CO -0.03 0.20 -0.14 -0.70 0.00 0.00 0.00 174.94 174.27 1h54 s GLU 721 N -1.94 2.34 -0.24 2.79 2.12 0.06 -1.00 118.70 122.83 1h54 s GLU 721 Ca 0.20 -0.62 -0.08 0.00 0.36 0.00 0.00 54.97 54.83 1h54 s GLU 721 Cb -0.11 -2.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.06 1h54 s GLU 721 CO 0.12 -0.26 0.10 0.08 -0.54 0.00 0.00 175.26 174.76 1h54 s VAL 722 N 1.46 4.66 -0.24 3.70 1.01 -0.07 -1.51 120.40 129.41 1h54 s VAL 722 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1h54 s VAL 722 Cb -0.13 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.11 1h54 s VAL 722 CO -0.11 0.34 -0.11 -0.55 0.00 0.00 0.00 175.10 174.67 1h54 s SER 723 N 1.40 4.06 -0.27 3.32 0.15 -0.07 -1.15 113.70 121.14 1h54 s SER 723 Ca 0.06 -1.02 -0.08 0.00 0.70 0.00 0.00 55.95 55.60 1h54 s SER 723 Cb -0.15 -1.57 -0.03 0.00 -1.71 0.00 0.00 66.02 62.56 1h54 s SER 723 CO 0.05 -0.12 0.11 -0.69 1.20 0.00 0.00 173.24 173.78 1h54 s VAL 724 N 1.23 4.54 0.48 4.45 1.01 0.50 -0.23 120.40 132.37 1h54 s VAL 724 Ca -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1h54 s VAL 724 Cb -0.17 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1h54 s VAL 724 CO -0.07 0.27 0.03 -1.00 0.00 0.00 0.00 175.10 174.33 1h54 s HIS 725 N 1.64 1.89 0.41 5.22 3.76 -0.53 -2.01 115.29 125.68 1h54 s HIS 725 Ca 0.06 -1.01 0.12 0.00 -0.15 0.00 0.00 55.06 54.08 1h54 s HIS 725 Cb -0.16 -1.52 0.87 0.00 1.11 0.00 0.00 32.58 32.89 1h54 s HIS 725 CO 0.05 0.12 1.94 0.00 -0.85 0.00 0.00 174.74 176.01 1h54 h ALA 726 N 1.49 1.58 -0.03 -1.40 0.00 -1.94 -1.31 119.26 117.64 1h54 h ALA 726 Ca -0.42 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1h54 h ALA 726 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1h54 h ALA 726 CO 0.71 0.31 0.00 -0.40 0.00 0.00 0.00 179.25 179.87 1h54 n ASP 727 N -4.27 0.34 0.00 0.00 5.75 -1.26 -5.00 116.55 112.10 1h54 n ASP 727 Ca -0.02 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 1h54 n ASP 727 Cb 0.27 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1h54 n ASP 727 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h54 n GLY 728 N 0.87 0.14 3.87 6.12 0.00 -0.50 -5.07 105.19 110.63 1h54 n GLY 728 Ca 0.15 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 1h54 n GLY 728 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h54 s PRO 729 N -0.70 3.81 0.04 1.61 0.04 -1.26 -1.45 135.00 137.08 1h54 s PRO 729 Ca 0.00 0.38 0.03 0.00 0.04 0.00 0.00 61.00 61.45 1h54 s PRO 729 Cb 0.00 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 1h54 s PRO 729 CO 0.00 0.13 -0.09 -1.01 0.04 0.00 0.00 177.00 176.08 1h54 s HIS 730 N -2.11 0.74 0.08 0.56 3.76 0.68 -4.97 115.29 114.03 1h54 s HIS 730 Ca 0.50 -0.45 0.06 0.00 -0.15 0.00 0.00 55.06 55.02 1h54 s HIS 730 Cb -0.11 -0.44 -0.03 0.00 1.11 0.00 0.00 32.58 33.11 1h54 s HIS 730 CO 0.26 -0.05 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.86 1h54 s PHE 731 N -1.24 1.45 -0.03 1.40 0.40 -1.26 -0.90 117.98 117.81 1h54 s PHE 731 Ca -0.07 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 55.82 1h54 s PHE 731 Cb -0.09 -0.81 0.03 0.00 0.51 0.00 0.00 43.02 42.66 1h54 s PHE 731 CO 0.01 0.11 0.03 0.15 0.70 0.00 0.00 175.22 176.22 1h54 s LYS 732 N -1.74 0.06 -0.52 0.44 1.02 -0.57 -5.00 119.74 113.43 1h54 s LYS 732 Ca 0.02 0.20 -0.19 0.00 0.02 0.00 0.00 55.97 56.02 1h54 s LYS 732 Cb -0.10 -0.39 0.07 0.00 -0.52 0.00 0.00 37.83 36.89 1h54 s LYS 732 CO 0.03 -0.20 0.61 -1.17 -0.92 0.00 0.00 175.35 173.70 1h54 s LEU 733 N 1.34 5.15 0.11 3.17 2.96 -1.26 -0.76 118.68 129.39 1h54 s LEU 733 Ca -0.06 -1.08 0.10 0.00 -0.22 0.00 0.00 54.13 52.87 1h54 s LEU 733 Cb -0.13 -2.38 -0.16 0.00 0.50 0.00 0.00 46.19 44.02 1h54 s LEU 733 CO -0.03 -0.91 1.17 -0.07 -1.32 0.00 0.00 176.35 175.19 1h54 h LEU 734 N 9.64 0.00 -7.32 -0.68 3.38 -1.27 -3.31 115.31 115.76 1h54 h LEU 734 Ca -0.28 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 1h54 h LEU 734 Cb 1.10 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.67 1h54 h LEU 734 CO 0.99 0.89 -0.07 -0.55 0.09 0.00 0.00 178.44 179.78 1h54 s SER 735 N -6.49 -0.34 0.00 -0.43 0.15 -1.09 -4.83 113.70 100.67 1h54 s SER 735 Ca 0.00 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1h54 s SER 735 Cb 0.09 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1h54 s SER 735 CO 0.81 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1h54 n GLY 736 N 0.61 0.86 3.81 9.45 0.00 -1.26 -1.40 105.19 117.26 1h54 n GLY 736 Ca -0.19 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 1h54 n GLY 736 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h54 s GLU 737 N -1.78 3.13 0.25 1.61 0.41 -1.26 -4.61 118.70 116.45 1h54 s GLU 737 Ca 0.00 1.07 -0.29 0.00 -0.41 0.00 0.00 54.97 55.34 1h54 s GLU 737 Cb 0.00 -2.01 -0.15 0.00 -1.78 0.00 0.00 34.13 30.19 1h54 s GLU 737 CO 0.00 -0.95 0.94 -2.30 -0.49 0.00 0.00 175.26 172.46 1h54 n PRO 738 N -2.60 1.05 -3.87 0.39 -0.02 -1.26 -4.97 135.00 123.72 1h54 n PRO 738 Ca 0.08 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.80 1h54 n PRO 738 Cb 0.53 -1.69 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 1h54 n PRO 738 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h54 s LEU 739 N 0.97 1.75 -0.23 2.45 2.96 -0.95 -4.99 118.68 120.64 1h54 s LEU 739 Ca 0.62 0.00 -0.10 0.00 -0.22 0.00 0.00 54.13 54.43 1h54 s LEU 739 Cb -0.77 -0.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 1h54 s LEU 739 CO 0.58 -0.03 0.15 -0.89 -1.32 0.00 0.00 176.35 174.84 1h54 s THR 740 N 0.29 5.37 0.38 3.68 2.01 -1.26 -0.47 115.64 125.64 1h54 s THR 740 Ca -0.02 0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.23 1h54 s THR 740 Cb -0.04 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 68.91 1h54 s THR 740 CO -0.01 0.37 -0.01 0.27 -0.69 0.00 0.00 174.62 174.55 1h54 s ILE 741 N 0.85 1.96 -0.20 1.82 -4.36 0.14 -4.61 121.20 116.80 1h54 s ILE 741 Ca 0.08 -2.06 -0.04 0.00 -0.26 0.00 0.00 60.65 58.37 1h54 s ILE 741 Cb -0.13 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.70 1h54 s ILE 741 CO 0.03 -0.06 -0.03 -0.62 0.24 0.00 0.00 174.94 174.49 1h54 s ASP 742 N -3.65 4.59 -0.34 4.36 -1.08 -0.15 -0.04 116.67 120.36 1h54 s ASP 742 Ca 0.34 -0.27 0.03 0.00 -0.52 0.00 0.00 52.55 52.14 1h54 s ASP 742 Cb 0.08 -1.78 0.10 0.00 -1.46 0.00 0.00 42.92 39.86 1h54 s ASP 742 CO 0.17 0.05 0.05 -0.69 0.52 0.00 0.00 175.17 175.27 1h54 s VAL 743 N 1.05 2.35 -1.47 1.11 1.01 0.22 -1.10 120.40 123.57 1h54 s VAL 743 Ca 0.01 -2.26 -0.11 0.00 0.00 0.00 0.00 61.98 59.62 1h54 s VAL 743 Cb -0.15 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.60 1h54 s VAL 743 CO 0.01 -0.55 0.82 0.00 0.00 0.00 0.00 175.10 175.37 1h54 n ALA 744 N 4.29 -1.17 0.00 5.51 0.00 0.06 -1.29 120.51 127.91 1h54 n ALA 744 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1h54 n ALA 744 Cb 0.42 -4.08 0.00 0.00 0.00 0.00 0.00 19.45 15.79 1h54 n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h54 n GLY 745 N -1.57 3.30 3.80 0.00 0.00 -1.26 -5.06 105.19 104.40 1h54 n GLY 745 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1h54 n GLY 745 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h54 s ALA 746 N -2.94 3.61 -0.15 4.61 0.00 -0.41 -5.05 121.76 121.43 1h54 s ALA 746 Ca 0.00 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.59 1h54 s ALA 746 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 1h54 s ALA 746 CO 0.00 0.34 0.74 0.00 0.00 0.00 0.00 175.76 176.83 1h54 s ALA 747 N -0.66 3.48 -0.12 0.00 0.00 -1.26 0.71 121.76 123.91 1h54 s ALA 747 Ca 0.26 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1h54 s ALA 747 Cb -0.17 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1h54 s ALA 747 CO 0.14 -0.49 -0.23 0.00 0.00 0.00 0.00 175.76 175.19 1h54 s ALA 748 N 1.74 2.19 -0.24 0.00 0.00 0.95 -4.95 121.76 121.45 1h54 s ALA 748 Ca 0.35 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 1h54 s ALA 748 Cb -0.17 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1h54 s ALA 748 CO 0.13 0.11 0.44 0.00 0.00 0.00 0.00 175.76 176.45 1h54 s ALA 749 N 0.61 3.57 -0.15 0.00 0.00 -1.26 -0.69 121.76 123.84 1h54 s ALA 749 Ca -0.12 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.14 1h54 s ALA 749 Cb -0.17 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1h54 s ALA 749 CO 0.03 -0.54 0.15 0.00 0.00 0.00 0.00 175.76 175.40 1h54 s ALA 750 N 1.85 3.78 0.00 0.00 0.00 0.38 -4.98 121.76 122.79 1h54 s ALA 750 Ca 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1h54 s ALA 750 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1h54 s ALA 750 CO 0.09 0.41 0.00 0.00 0.00 0.00 0.00 175.76 176.26 1h54 n ALA 751 N 2.67 0.00 -3.44 0.00 0.00 -1.26 -2.24 120.51 116.23 1h54 n ALA 751 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 1h54 n ALA 751 Cb 0.54 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.05 1h54 n ALA 751 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h54 n ALA 752 N -3.00 -2.26 1.55 0.00 0.00 -1.26 -4.33 120.51 111.20 1h54 n ALA 752 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.56 1h54 n ALA 752 Cb 0.00 -3.85 0.56 0.00 0.00 0.00 0.00 19.45 16.16 1h54 n ALA 752 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50