#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k0s s ALA 3 N 0.00 3.60 -0.46 -1.46 0.00 -1.26 -4.92 121.76 117.27 3k0s s ALA 3 Ca 0.00 1.54 -0.28 0.00 0.00 0.00 0.00 51.96 53.22 3k0s s ALA 3 Cb 0.00 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.54 3k0s s ALA 3 CO 0.00 -0.99 1.05 0.42 0.00 0.00 0.00 175.76 176.24 3k0s s ILE 4 N -0.85 4.33 -0.60 0.00 1.01 -1.26 -4.93 121.20 118.90 3k0s s ILE 4 Ca 0.55 1.09 -0.03 0.00 0.00 0.00 0.00 60.65 62.27 3k0s s ILE 4 Cb -0.46 -4.53 0.24 0.00 0.01 0.00 0.00 42.46 37.72 3k0s s ILE 4 CO 0.58 -0.90 2.31 -0.62 0.00 0.00 0.00 174.94 176.32 3k0s n GLU 5 N 7.52 2.48 -0.95 2.79 -0.58 -1.26 -4.85 120.64 125.79 3k0s n GLU 5 Ca 0.10 -2.77 -0.31 0.00 -0.42 0.00 0.00 57.16 53.75 3k0s n GLU 5 Cb 0.49 -2.14 0.13 0.00 -0.57 0.00 0.00 31.44 29.35 3k0s n GLU 5 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3k0s s ASN 6 N -0.48 3.59 0.15 1.62 4.22 -1.26 -4.89 114.94 117.89 3k0s s ASN 6 Ca 0.54 2.05 -0.27 0.00 -2.14 0.00 0.00 52.86 53.04 3k0s s ASN 6 Cb 0.40 -2.55 -0.01 0.00 1.28 0.00 0.00 41.25 40.37 3k0s s ASN 6 CO -0.23 -2.65 1.58 0.15 -2.04 0.00 0.00 177.10 173.91 3k0s h PHE 7 N -1.53 -1.14 0.00 1.54 3.04 -1.96 -0.68 116.94 116.21 3k0s h PHE 7 Ca -0.43 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.57 3k0s h PHE 7 Cb 1.25 0.54 0.00 0.00 2.56 0.00 0.00 35.95 40.30 3k0s h PHE 7 CO 0.53 -0.44 0.00 -0.44 -2.02 0.00 0.00 178.31 175.94 3k0s h ASP 8 N -0.38 0.00 1.23 0.41 3.32 -1.99 -0.55 116.42 118.46 3k0s h ASP 8 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3k0s h ASP 8 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3k0s h ASP 8 CO -0.48 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.04 3k0s n ALA 9 N -1.92 2.19 -2.66 3.45 0.00 -0.27 -4.84 120.51 116.46 3k0s n ALA 9 Ca -0.02 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 3k0s n ALA 9 Cb 0.08 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.03 3k0s n ALA 9 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3k0s s HIS 10 N -3.10 3.59 0.79 0.00 3.76 -0.22 -4.94 115.29 115.18 3k0s s HIS 10 Ca 0.11 0.70 -0.13 0.00 -0.15 0.00 0.00 55.06 55.59 3k0s s HIS 10 Cb 0.13 -2.09 0.07 0.00 1.11 0.00 0.00 32.58 31.81 3k0s s HIS 10 CO 0.54 0.57 1.17 0.95 -0.85 0.00 0.00 174.74 177.13 3k0s s THR 11 N -1.32 2.36 0.44 1.30 -4.23 -1.26 -4.73 115.64 108.20 3k0s s THR 11 Ca 0.30 0.15 0.18 0.00 -1.18 0.00 0.00 61.69 61.14 3k0s s THR 11 Cb -0.14 -2.54 0.38 0.00 1.34 0.00 0.00 72.50 71.54 3k0s s THR 11 CO 0.17 -0.12 1.90 -0.65 -0.54 0.00 0.00 174.62 175.38 3k0s h PRO 12 N -0.87 0.34 -0.00 3.99 0.11 -1.98 -0.01 132.00 133.58 3k0s h PRO 12 Ca -0.46 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3k0s h PRO 12 Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3k0s h PRO 12 CO 0.47 0.22 -0.04 1.98 -0.21 0.00 0.00 178.00 180.43 3k0s h MET 13 N 0.35 -0.07 -0.02 1.05 1.85 -2.00 -1.66 114.93 114.44 3k0s h MET 13 Ca 0.40 0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 59.33 3k0s h MET 13 Cb 1.03 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.06 3k0s h MET 13 CO -0.12 -0.05 -0.72 0.52 -0.40 0.00 0.00 176.91 176.14 3k0s h MET 14 N -0.07 0.10 -0.09 0.39 2.86 -1.55 -0.68 114.93 115.89 3k0s h MET 14 Ca 0.02 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3k0s h MET 14 Cb 0.09 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 3k0s h MET 14 CO -0.04 0.78 0.06 1.96 1.06 0.00 0.00 176.91 180.72 3k0s h GLN 15 N 0.07 0.12 0.18 1.72 4.20 -1.01 0.18 115.11 120.56 3k0s h GLN 15 Ca -0.02 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3k0s h GLN 15 Cb 1.28 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 3k0s h GLN 15 CO 0.10 0.09 -0.14 0.37 -0.67 0.00 0.00 178.83 178.58 3k0s h GLN 16 N 0.12 -0.31 0.39 1.46 4.15 -1.08 -2.37 115.11 117.46 3k0s h GLN 16 Ca 0.03 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3k0s h GLN 16 Cb -0.01 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 3k0s h GLN 16 CO -0.01 -0.21 -0.29 -0.92 -1.93 0.00 0.00 178.83 175.47 3k0s h TYR 17 N -0.32 -0.78 -0.82 3.99 3.20 -0.94 -1.81 116.97 119.48 3k0s h TYR 17 Ca -0.01 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.01 3k0s h TYR 17 Cb 0.29 0.29 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 3k0s h TYR 17 CO -0.11 -0.44 0.54 -0.07 -1.64 0.00 0.00 178.16 176.44 3k0s h LEU 18 N -0.68 0.50 -0.39 2.82 3.38 -0.70 0.32 115.31 120.55 3k0s h LEU 18 Ca -0.03 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3k0s h LEU 18 Cb 0.58 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3k0s h LEU 18 CO 0.00 0.25 0.11 -0.09 0.09 0.00 0.00 178.44 178.80 3k0s h ARG 19 N 0.52 0.62 -0.24 1.13 2.43 -0.93 -0.55 114.38 117.37 3k0s h ARG 19 Ca 0.41 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.32 3k0s h ARG 19 Cb 0.83 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3k0s h ARG 19 CO -0.16 0.63 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.54 3k0s h LEU 20 N 0.49 0.69 -0.97 3.80 3.38 -0.40 -3.20 115.31 119.09 3k0s h LEU 20 Ca 0.13 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3k0s h LEU 20 Cb 0.27 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3k0s h LEU 20 CO -0.00 1.06 0.63 0.50 0.09 0.00 0.00 178.44 180.72 3k0s h LYS 21 N 0.34 1.18 0.00 1.13 1.63 -0.29 -1.13 116.57 119.44 3k0s h LYS 21 Ca 0.03 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3k0s h LYS 21 Cb 0.90 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 3k0s h LYS 21 CO 0.08 0.78 -0.05 0.00 -3.45 0.00 0.00 179.45 176.81 3k0s h ALA 22 N 1.41 1.79 0.00 5.00 0.00 -1.09 0.42 119.26 126.78 3k0s h ALA 22 Ca 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3k0s h ALA 22 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k0s h ALA 22 CO -0.13 0.06 0.00 0.94 0.00 0.00 0.00 179.25 180.12 3k0s n GLN 23 N -4.29 0.10 -2.98 0.00 7.27 -0.43 -3.49 117.38 113.57 3k0s n GLN 23 Ca -0.03 0.42 -0.15 0.00 0.07 0.00 0.00 57.00 57.31 3k0s n GLN 23 Cb 0.13 -1.72 0.01 0.00 2.41 0.00 0.00 30.24 31.07 3k0s n GLN 23 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3k0s n HIS 24 N -1.92 -1.48 0.20 3.69 8.25 0.14 -5.03 115.22 119.08 3k0s n HIS 24 Ca 0.02 -2.89 0.16 0.00 -0.26 0.00 0.00 57.72 54.74 3k0s n HIS 24 Cb 0.15 0.55 0.79 0.00 1.12 0.00 0.00 29.99 32.60 3k0s n HIS 24 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3k0s h PRO 25 N 3.41 0.00 -0.01 -0.41 0.11 -1.48 -2.75 132.00 130.87 3k0s h PRO 25 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3k0s h PRO 25 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3k0s h PRO 25 CO 0.36 0.00 -0.32 0.39 -0.21 0.00 0.00 178.00 178.21 3k0s n GLU 26 N -4.03 1.66 -4.54 1.05 -0.58 -1.26 -4.97 120.64 107.98 3k0s n GLU 26 Ca 0.01 -0.83 -0.30 0.00 -0.42 0.00 0.00 57.16 55.62 3k0s n GLU 26 Cb 0.28 -1.28 -0.13 0.00 -0.57 0.00 0.00 31.44 29.75 3k0s n GLU 26 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3k0s s ILE 27 N -1.88 2.65 0.15 -3.67 -4.36 -1.04 -5.06 121.20 107.99 3k0s s ILE 27 Ca 0.14 -1.40 -0.33 0.00 -0.26 0.00 0.00 60.65 58.80 3k0s s ILE 27 Cb 0.13 -2.15 -0.17 0.00 1.25 0.00 0.00 42.46 41.53 3k0s s ILE 27 CO 0.40 0.23 0.98 0.18 0.24 0.00 0.00 174.94 176.97 3k0s n LEU 28 N 1.24 0.59 -4.17 0.37 4.77 -1.25 -4.74 117.00 113.81 3k0s n LEU 28 Ca -0.16 1.15 -0.34 0.00 -0.03 0.00 0.00 56.01 56.62 3k0s n LEU 28 Cb 0.52 -1.10 -0.14 0.00 -2.33 0.00 0.00 43.42 40.37 3k0s n LEU 28 CO 0.26 -1.83 -0.40 -0.22 -1.33 0.00 0.00 177.39 173.88 3k0s s LEU 29 N 1.06 3.42 -0.36 2.23 2.96 -1.26 -0.46 118.68 126.27 3k0s s LEU 29 Ca 0.73 -1.06 -0.27 0.00 -0.22 0.00 0.00 54.13 53.31 3k0s s LEU 29 Cb -0.94 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.10 3k0s s LEU 29 CO 0.55 -0.17 1.00 -0.36 -1.32 0.00 0.00 176.35 176.04 3k0s s PHE 30 N 1.27 3.08 -0.29 5.38 0.40 0.26 -4.42 117.98 123.66 3k0s s PHE 30 Ca -0.03 0.93 -0.03 0.00 -0.60 0.00 0.00 56.93 57.20 3k0s s PHE 30 Cb -0.18 -3.73 0.03 0.00 0.51 0.00 0.00 43.02 39.65 3k0s s PHE 30 CO -0.04 -0.84 0.01 -0.47 0.70 0.00 0.00 175.22 174.58 3k0s s TYR 31 N 3.63 3.18 -0.10 0.36 5.04 0.54 -0.86 117.35 129.14 3k0s s TYR 31 Ca 0.42 -1.58 -0.29 0.00 -2.44 0.00 0.00 57.07 53.18 3k0s s TYR 31 Cb -0.12 -2.14 -0.05 0.00 0.35 0.00 0.00 41.96 40.01 3k0s s TYR 31 CO 0.19 -0.74 1.64 0.50 -1.34 0.00 0.00 175.55 175.80 3k0s s ARG 32 N 1.33 4.06 -0.38 4.97 6.06 -1.04 0.03 118.95 133.98 3k0s s ARG 32 Ca -0.02 2.03 0.02 0.00 -2.50 0.00 0.00 55.73 55.26 3k0s s ARG 32 Cb -0.18 -4.00 0.11 0.00 0.06 0.00 0.00 34.95 30.94 3k0s s ARG 32 CO -0.01 -0.99 0.14 -1.64 -2.50 0.00 0.00 175.30 170.30 3k0s s MET 33 N 4.24 1.25 4.83 5.12 -1.94 0.22 -4.74 119.30 128.29 3k0s s MET 33 Ca 0.73 -1.75 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 3k0s s MET 33 Cb -0.31 -2.60 0.00 0.00 2.01 0.00 0.00 34.83 33.93 3k0s s MET 33 CO 0.29 -1.04 0.00 0.41 -0.01 0.00 0.00 175.02 174.67 3k0s n GLY 34 N 4.11 3.11 0.31 -0.03 0.00 -1.26 -1.08 105.19 110.34 3k0s n GLY 34 Ca 0.03 0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.44 3k0s n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k0s n ASP 35 N 7.09 0.93 -4.31 1.61 9.92 -1.26 -4.83 116.55 125.70 3k0s n ASP 35 Ca 0.00 -1.52 -0.25 0.00 -0.53 0.00 0.00 54.79 52.49 3k0s n ASP 35 Cb 0.00 -0.05 -0.13 0.00 -0.64 0.00 0.00 41.12 40.31 3k0s n ASP 35 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3k0s s PHE 36 N -1.91 1.92 -0.18 1.24 0.40 -0.24 -0.02 117.98 119.19 3k0s s PHE 36 Ca 0.33 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 56.10 3k0s s PHE 36 Cb 0.17 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 3k0s s PHE 36 CO 0.27 0.22 0.38 0.71 0.70 0.00 0.00 175.22 177.50 3k0s s TYR 37 N -1.09 3.41 0.22 0.36 2.02 0.44 0.72 117.35 123.44 3k0s s TYR 37 Ca 0.08 0.64 0.10 0.00 -0.37 0.00 0.00 57.07 57.53 3k0s s TYR 37 Cb -0.10 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 3k0s s TYR 37 CO 0.04 0.08 -0.15 -1.21 -1.57 0.00 0.00 175.55 172.74 3k0s s GLU 38 N 1.01 1.84 0.11 -0.62 2.02 0.10 -1.01 118.70 122.16 3k0s s GLU 38 Ca 0.19 -1.48 0.07 0.00 0.02 0.00 0.00 54.97 53.77 3k0s s GLU 38 Cb -0.14 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 3k0s s GLU 38 CO 0.07 0.39 -0.17 -0.51 0.02 0.00 0.00 175.26 175.06 3k0s s LEU 39 N -3.06 2.35 0.22 1.80 1.02 -0.13 -0.33 118.68 120.54 3k0s s LEU 39 Ca 0.26 -0.73 0.04 0.00 0.02 0.00 0.00 54.13 53.71 3k0s s LEU 39 Cb -0.07 -0.72 -0.05 0.00 0.02 0.00 0.00 46.19 45.37 3k0s s LEU 39 CO 0.14 -0.03 -0.03 -0.36 0.02 0.00 0.00 176.35 176.09 3k0s s PHE 40 N -1.58 1.53 0.00 0.29 0.08 -1.26 -2.27 117.98 114.77 3k0s s PHE 40 Ca 0.07 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.25 3k0s s PHE 40 Cb -0.08 -0.87 0.00 0.00 -0.57 0.00 0.00 43.02 41.50 3k0s s PHE 40 CO 0.04 0.01 0.00 0.66 -0.10 0.00 0.00 175.22 175.83 3k0s n TYR 41 N -0.39 0.00 0.27 0.36 4.01 -0.54 -2.03 117.16 118.85 3k0s n TYR 41 Ca -0.06 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.81 3k0s n TYR 41 Cb 0.63 0.03 0.75 0.00 -0.31 0.00 0.00 39.34 40.44 3k0s n TYR 41 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3k0s h ASP 42 N 6.62 0.00 -0.70 7.72 5.19 -1.98 -1.23 116.42 132.04 3k0s h ASP 42 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3k0s h ASP 42 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 3k0s h ASP 42 CO 0.00 0.10 0.41 0.44 -3.12 0.00 0.00 179.24 177.08 3k0s h ASP 43 N 0.00 0.85 0.01 6.45 5.19 -1.80 -0.54 116.42 126.59 3k0s h ASP 43 Ca -0.00 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3k0s h ASP 43 Cb 0.31 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.61 3k0s h ASP 43 CO 0.01 0.68 -0.01 0.00 -3.12 0.00 0.00 179.24 176.80 3k0s h ALA 44 N 1.21 -0.02 -0.32 3.45 0.00 -1.03 0.64 119.26 123.19 3k0s h ALA 44 Ca 0.25 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3k0s h ALA 44 Cb -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k0s h ALA 44 CO -0.05 -0.49 0.19 0.87 0.00 0.00 0.00 179.25 179.77 3k0s h LYS 45 N -0.05 0.39 0.12 0.00 1.57 -1.26 0.92 116.57 118.25 3k0s h LYS 45 Ca -0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3k0s h LYS 45 Cb 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3k0s h LYS 45 CO 0.00 0.25 -0.06 0.00 -0.57 0.00 0.00 179.45 179.08 3k0s h ARG 46 N 0.40 -0.16 -1.00 3.15 3.08 -1.02 -1.84 114.38 116.99 3k0s h ARG 46 Ca 0.13 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.29 3k0s h ARG 46 Cb -0.01 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 3k0s h ARG 46 CO -0.05 0.01 0.64 0.00 -1.07 0.00 0.00 179.97 179.49 3k0s h ALA 47 N 0.57 1.47 -0.67 0.04 0.00 -0.69 0.30 119.26 120.27 3k0s h ALA 47 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3k0s h ALA 47 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3k0s h ALA 47 CO 0.03 0.30 0.27 1.03 0.00 0.00 0.00 179.25 180.88 3k0s h SER 48 N 1.06 0.92 0.03 0.00 0.87 -0.60 0.34 113.55 116.16 3k0s h SER 48 Ca 0.47 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3k0s h SER 48 Cb 0.37 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3k0s h SER 48 CO -0.23 0.84 -0.01 1.56 -0.53 0.00 0.00 176.83 178.45 3k0s h GLN 49 N 0.95 -0.04 -0.60 2.24 4.20 -0.33 -2.30 115.11 119.23 3k0s h GLN 49 Ca 0.22 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 3k0s h GLN 49 Cb 0.20 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3k0s h GLN 49 CO -0.02 0.40 0.01 -0.07 -0.67 0.00 0.00 178.83 178.49 3k0s h LEU 50 N -0.49 1.03 -0.79 1.46 3.38 -0.37 -3.28 115.31 116.26 3k0s h LEU 50 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3k0s h LEU 50 Cb 0.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3k0s h LEU 50 CO 0.01 1.08 -0.50 0.18 0.09 0.00 0.00 178.44 179.30 3k0s n LEU 51 N -4.20 1.70 -3.45 1.67 4.77 0.10 -4.99 117.00 112.60 3k0s n LEU 51 Ca 0.03 -0.72 -0.22 0.00 -0.03 0.00 0.00 56.01 55.07 3k0s n LEU 51 Cb 0.34 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3k0s n LEU 51 CO 0.44 0.33 -0.01 -0.67 -1.33 0.00 0.00 177.39 176.15 3k0s n ASP 52 N -0.30 -5.68 -4.33 -1.43 2.03 -0.89 -5.04 116.55 100.93 3k0s n ASP 52 Ca 0.07 -0.83 -0.24 0.00 0.52 0.00 0.00 54.79 54.32 3k0s n ASP 52 Cb 0.39 -4.44 -0.12 0.00 -0.72 0.00 0.00 41.12 36.23 3k0s n ASP 52 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3k0s s ILE 53 N -3.43 1.86 0.20 5.18 -4.36 -1.08 -5.07 121.20 114.50 3k0s s ILE 53 Ca 0.42 -1.78 -0.32 0.00 -0.26 0.00 0.00 60.65 58.71 3k0s s ILE 53 Cb -0.10 -1.78 -0.12 0.00 1.25 0.00 0.00 42.46 41.72 3k0s s ILE 53 CO 0.79 -0.18 1.71 -0.55 0.24 0.00 0.00 174.94 176.96 3k0s s SER 54 N -2.35 6.40 -0.28 4.36 0.15 -1.26 -4.41 113.70 116.31 3k0s s SER 54 Ca 0.13 2.85 -0.26 0.00 0.70 0.00 0.00 55.95 59.36 3k0s s SER 54 Cb -0.08 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 3k0s s SER 54 CO 0.06 -0.96 0.90 -0.22 1.20 0.00 0.00 173.24 174.22 3k0s s LEU 55 N 1.22 4.06 0.00 3.45 2.96 -1.26 -4.64 118.68 124.47 3k0s s LEU 55 Ca 0.75 0.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 3k0s s LEU 55 Cb -0.49 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 42.91 3k0s s LEU 55 CO 0.32 -0.64 0.00 1.07 -1.32 0.00 0.00 176.35 175.78 3k0s n THR 56 N 5.47 0.00 -3.91 3.68 5.66 0.17 -4.94 114.28 120.42 3k0s n THR 56 Ca 0.07 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.96 3k0s n THR 56 Cb 0.47 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.12 3k0s n THR 56 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3k0s s LYS 57 N 0.17 0.09 -0.34 1.09 -0.14 -1.26 -0.39 119.74 118.96 3k0s s LYS 57 Ca 0.00 -0.14 -0.10 0.00 -1.36 0.00 0.00 55.97 54.37 3k0s s LYS 57 Cb 0.00 0.00 0.01 0.00 -1.68 0.00 0.00 37.83 36.16 3k0s s LYS 57 CO 0.00 -0.01 0.17 0.50 -0.76 0.00 0.00 175.35 175.26 3k0s s ARG 58 N -0.33 3.06 0.72 1.68 3.52 0.11 -4.89 118.95 122.83 3k0s s ARG 58 Ca -0.03 -0.91 -0.16 0.00 -0.13 0.00 0.00 55.73 54.50 3k0s s ARG 58 Cb -0.02 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3k0s s ARG 58 CO -0.00 -0.56 0.64 0.41 -0.81 0.00 0.00 175.30 174.99 3k0s n GLY 59 N 4.98 -1.25 2.78 8.12 0.00 -1.26 -1.63 105.19 116.93 3k0s n GLY 59 Ca -0.13 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 3k0s n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k0s s ALA 60 N -1.89 0.26 0.00 4.61 0.00 -1.26 -4.79 121.76 118.69 3k0s s ALA 60 Ca 0.67 0.20 -0.22 0.00 0.00 0.00 0.00 51.96 52.61 3k0s s ALA 60 Cb -0.35 -0.36 -0.19 0.00 0.00 0.00 0.00 23.12 22.23 3k0s s ALA 60 CO 0.56 -0.15 1.22 0.66 0.00 0.00 0.00 175.76 178.04 3k0s h SER 61 N 7.46 0.31 -4.19 0.00 4.64 -1.95 -3.40 113.55 116.42 3k0s h SER 61 Ca -0.39 -0.60 -0.67 0.00 -0.47 0.00 0.00 61.79 59.67 3k0s h SER 61 Cb 1.13 -0.09 -0.38 0.00 -0.31 0.00 0.00 62.40 62.75 3k0s h SER 61 CO 0.43 0.85 -0.48 0.00 -0.87 0.00 0.00 176.83 176.76 3k0s s ALA 62 N -3.83 3.50 0.00 5.18 0.00 -1.26 -5.03 121.76 120.32 3k0s s ALA 62 Ca -0.15 -3.34 0.00 0.00 0.00 0.00 0.00 51.96 48.48 3k0s s ALA 62 Cb 0.03 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3k0s s ALA 62 CO 0.75 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.84 3k0s n GLY 63 N 3.17 0.92 3.87 0.00 0.00 -1.26 -4.94 105.19 106.95 3k0s n GLY 63 Ca 0.08 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 3k0s n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k0s s GLU 64 N -1.75 3.71 0.44 1.61 2.02 -1.26 -4.83 118.70 118.63 3k0s s GLU 64 Ca 0.00 0.73 -0.22 0.00 0.02 0.00 0.00 54.97 55.49 3k0s s GLU 64 Cb 0.00 -2.15 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 3k0s s GLU 64 CO 0.00 -0.40 1.05 -2.14 0.02 0.00 0.00 175.26 173.79 3k0s s PRO 65 N -4.71 3.99 -0.34 0.39 0.02 -1.26 -4.55 135.00 128.54 3k0s s PRO 65 Ca 0.55 1.47 -0.14 0.00 0.02 0.00 0.00 61.00 62.90 3k0s s PRO 65 Cb -0.11 -2.35 -0.02 0.00 0.02 0.00 0.00 34.50 32.05 3k0s s PRO 65 CO 0.45 -0.28 0.28 0.42 -0.33 0.00 0.00 177.00 177.54 3k0s s ILE 66 N -1.78 5.25 0.31 2.83 1.01 -0.65 -4.90 121.20 123.28 3k0s s ILE 66 Ca 0.62 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 3k0s s ILE 66 Cb -0.20 -3.75 -0.13 0.00 0.01 0.00 0.00 42.46 38.39 3k0s s ILE 66 CO 0.25 -0.03 1.28 -2.65 0.00 0.00 0.00 174.94 173.78 3k0s n PRO 67 N 5.20 2.02 -3.77 2.79 -0.02 -1.26 0.07 135.00 140.03 3k0s n PRO 67 Ca -0.11 0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 61.94 3k0s n PRO 67 Cb 0.50 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 3k0s n PRO 67 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3k0s s MET 68 N -1.54 0.53 0.20 -0.52 1.75 0.47 -1.46 119.30 118.72 3k0s s MET 68 Ca 0.58 0.09 -0.11 0.00 -1.25 0.00 0.00 55.69 55.00 3k0s s MET 68 Cb -0.60 0.24 -0.00 0.00 2.84 0.00 0.00 34.83 37.30 3k0s s MET 68 CO 0.59 -0.12 0.38 0.00 -0.65 0.00 0.00 175.02 175.22 3k0s s ALA 69 N -0.65 -0.13 0.00 4.11 0.00 -0.96 0.45 121.76 124.57 3k0s s ALA 69 Ca -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3k0s s ALA 69 Cb -0.04 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.05 3k0s s ALA 69 CO 0.02 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.46 3k0s n GLY 70 N -0.30 0.54 3.00 0.00 0.00 -1.26 -0.95 105.19 106.23 3k0s n GLY 70 Ca -0.05 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 3k0s n GLY 70 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k0s s ILE 71 N -2.00 0.13 0.42 -0.61 -4.36 -0.18 -4.97 121.20 109.63 3k0s s ILE 71 Ca 0.00 -1.08 -0.26 0.00 -0.26 0.00 0.00 60.65 59.05 3k0s s ILE 71 Cb 0.00 -0.50 -0.09 0.00 1.25 0.00 0.00 42.46 43.12 3k0s s ILE 71 CO 0.00 -0.59 1.37 -2.84 0.24 0.00 0.00 174.94 173.12 3k0s s PRO 72 N -1.92 3.88 0.31 0.37 0.02 -1.26 -0.42 135.00 135.98 3k0s s PRO 72 Ca -0.12 2.30 0.05 0.00 0.02 0.00 0.00 61.00 63.25 3k0s s PRO 72 Cb -0.07 -2.75 0.67 0.00 0.02 0.00 0.00 34.50 32.38 3k0s s PRO 72 CO -0.03 -0.62 1.85 0.10 -0.33 0.00 0.00 177.00 177.97 3k0s h TYR 73 N 2.59 1.01 0.00 6.54 -0.00 -0.75 -0.98 116.97 125.38 3k0s h TYR 73 Ca -0.50 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.26 3k0s h TYR 73 Cb 1.25 -0.32 0.00 0.00 -0.00 0.00 0.00 36.73 37.66 3k0s h TYR 73 CO 0.52 0.38 0.00 -2.39 -0.00 0.00 0.00 178.16 176.67 3k0s n HIS 74 N -4.60 0.00 -0.30 0.10 1.44 -1.26 -2.22 115.22 108.39 3k0s n HIS 74 Ca 0.18 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.96 3k0s n HIS 74 Cb 0.41 -0.32 0.17 0.00 0.12 0.00 0.00 29.99 30.37 3k0s n HIS 74 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3k0s n ALA 75 N -1.32 2.30 -0.22 1.59 0.00 -0.37 -4.76 120.51 117.74 3k0s n ALA 75 Ca 0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 53.44 52.17 3k0s n ALA 75 Cb 0.12 -0.49 0.16 0.00 0.00 0.00 0.00 19.45 19.24 3k0s n ALA 75 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3k0s h VAL 76 N 2.09 1.23 -0.87 0.00 3.04 -1.50 -2.94 116.25 117.30 3k0s h VAL 76 Ca 0.00 -0.69 -0.01 0.00 -1.01 0.00 0.00 66.70 64.99 3k0s h VAL 76 Cb 0.84 0.37 -0.04 0.00 -2.01 0.00 0.00 31.29 30.45 3k0s h VAL 76 CO 0.03 0.28 0.48 -0.33 -1.01 0.00 0.00 177.57 177.03 3k0s h GLU 77 N 1.00 1.20 -0.76 4.17 4.39 -1.85 0.14 114.58 122.86 3k0s h GLU 77 Ca 0.24 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 3k0s h GLU 77 Cb 0.15 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 3k0s h GLU 77 CO -0.03 0.87 0.37 -0.91 -1.16 0.00 0.00 179.01 178.16 3k0s h ASN 78 N 1.21 0.98 0.05 1.42 2.35 -1.89 -0.32 115.58 119.38 3k0s h ASN 78 Ca 0.31 -0.11 -0.26 0.00 -0.55 0.00 0.00 56.30 55.69 3k0s h ASN 78 Cb 0.01 -0.25 0.02 0.00 0.05 0.00 0.00 38.32 38.15 3k0s h ASN 78 CO -0.05 0.82 -1.02 1.88 -1.65 0.00 0.00 177.43 177.41 3k0s h TYR 79 N 1.08 0.98 -0.69 1.19 0.05 -1.43 -2.52 116.97 115.62 3k0s h TYR 79 Ca 0.26 -0.53 0.04 0.00 0.05 0.00 0.00 58.73 58.55 3k0s h TYR 79 Cb 0.10 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.68 3k0s h TYR 79 CO 0.01 1.36 0.42 -0.07 -1.05 0.00 0.00 178.16 178.84 3k0s h LEU 80 N 0.38 0.68 -0.28 3.88 3.38 -0.53 -1.47 115.31 121.34 3k0s h LEU 80 Ca -0.12 0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.93 3k0s h LEU 80 Cb 1.67 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 42.21 3k0s h LEU 80 CO 0.20 0.46 -0.23 0.00 0.09 0.00 0.00 178.44 178.95 3k0s h ALA 81 N 1.31 -0.08 -0.99 1.53 0.00 -1.04 0.08 119.26 120.07 3k0s h ALA 81 Ca 0.29 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.40 3k0s h ALA 81 Cb 0.07 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 3k0s h ALA 81 CO -0.13 -0.64 0.63 0.87 0.00 0.00 0.00 179.25 179.98 3k0s h LYS 82 N -0.22 0.97 0.03 0.00 1.57 -0.87 -1.32 116.57 116.74 3k0s h LYS 82 Ca 0.15 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3k0s h LYS 82 Cb 0.45 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.55 3k0s h LYS 82 CO -0.41 0.64 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.81 3k0s h LEU 83 N 1.00 0.15 -1.22 2.94 3.38 -0.50 -3.26 115.31 117.80 3k0s h LEU 83 Ca 0.48 -0.94 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 3k0s h LEU 83 Cb 0.45 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3k0s h LEU 83 CO -0.25 1.07 -0.25 1.62 0.09 0.00 0.00 178.44 180.73 3k0s h VAL 84 N -0.76 0.66 0.00 1.22 3.04 -1.00 -0.33 116.25 119.08 3k0s h VAL 84 Ca -0.04 -1.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.53 3k0s h VAL 84 Cb 1.14 1.73 0.00 0.00 -2.01 0.00 0.00 31.29 32.14 3k0s h VAL 84 CO 0.04 0.24 0.00 0.59 -1.01 0.00 0.00 177.57 177.44 3k0s n ASN 85 N -3.49 0.00 -0.01 3.17 4.13 -0.50 -2.01 115.26 116.55 3k0s n ASN 85 Ca -0.00 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.42 3k0s n ASN 85 Cb 0.41 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 3k0s n ASN 85 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k0s n GLN 86 N -1.31 0.97 -0.50 3.52 6.02 -0.23 -4.98 117.38 120.86 3k0s n GLN 86 Ca 0.05 -1.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.05 3k0s n GLN 86 Cb 0.10 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.36 3k0s n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k0s n GLY 87 N -0.24 0.75 3.74 1.08 0.00 -0.85 -5.04 105.19 104.63 3k0s n GLY 87 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3k0s n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k0s s GLU 88 N -0.50 4.32 0.52 1.61 0.41 -0.59 -4.80 118.70 119.66 3k0s s GLU 88 Ca 0.00 0.56 -0.14 0.00 -0.41 0.00 0.00 54.97 54.98 3k0s s GLU 88 Cb 0.00 -3.41 -0.07 0.00 -1.78 0.00 0.00 34.13 28.88 3k0s s GLU 88 CO 0.00 0.22 0.95 -1.12 -0.49 0.00 0.00 175.26 174.82 3k0s s SER 89 N 0.39 6.51 -0.10 -0.19 0.01 -1.26 -3.81 113.70 115.26 3k0s s SER 89 Ca 0.28 1.45 -0.04 0.00 1.31 0.00 0.00 55.95 58.96 3k0s s SER 89 Cb -0.16 -2.46 0.05 0.00 0.21 0.00 0.00 66.02 63.66 3k0s s SER 89 CO 0.13 -0.62 0.17 -0.69 0.41 0.00 0.00 173.24 172.65 3k0s s VAL 90 N -2.71 -0.28 0.03 3.43 1.01 0.10 -3.79 120.40 118.19 3k0s s VAL 90 Ca 0.56 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 3k0s s VAL 90 Cb -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3k0s s VAL 90 CO 0.36 0.12 1.00 0.00 0.00 0.00 0.00 175.10 176.59 3k0s s ALA 91 N 2.31 3.20 -0.33 5.51 0.00 0.39 -0.61 121.76 132.23 3k0s s ALA 91 Ca 0.03 0.58 -0.09 0.00 0.00 0.00 0.00 51.96 52.48 3k0s s ALA 91 Cb -0.12 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3k0s s ALA 91 CO -0.06 -0.22 0.15 0.42 0.00 0.00 0.00 175.76 176.05 3k0s s ILE 92 N 0.82 4.49 -0.13 0.00 -1.09 0.10 -0.57 121.20 124.82 3k0s s ILE 92 Ca 0.52 -0.59 -0.03 0.00 -2.23 0.00 0.00 60.65 58.32 3k0s s ILE 92 Cb -0.22 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 3k0s s ILE 92 CO 0.29 -0.01 -0.01 0.00 -1.23 0.00 0.00 174.94 173.97 3k0s s GLU 94 N -0.18 1.34 -0.20 0.00 0.41 0.69 -2.49 118.70 118.28 3k0s s GLU 94 Ca 0.04 -1.49 -0.29 0.00 -0.41 0.00 0.00 54.97 52.82 3k0s s GLU 94 Cb -0.13 -1.36 -0.00 0.00 -1.78 0.00 0.00 34.13 30.86 3k0s s GLU 94 CO 0.02 0.27 1.17 -0.65 -0.49 0.00 0.00 175.26 175.57 3k0s s GLN 95 N -3.05 4.24 -0.24 1.61 -0.21 -1.26 -1.00 119.66 119.74 3k0s s GLN 95 Ca 0.19 1.52 0.01 0.00 0.02 0.00 0.00 55.36 57.10 3k0s s GLN 95 Cb -0.05 -3.71 -0.18 0.00 1.00 0.00 0.00 33.01 30.07 3k0s s GLN 95 CO 0.08 -0.68 -0.16 -0.89 -2.12 0.00 0.00 175.29 171.51 3k0s n ILE 96 N 5.37 1.52 -1.76 1.08 2.08 0.12 -4.97 119.36 122.81 3k0s n ILE 96 Ca 0.13 -0.58 -0.30 0.00 0.56 0.00 0.00 62.75 62.57 3k0s n ILE 96 Cb 0.45 -1.46 0.17 0.00 -0.75 0.00 0.00 39.64 38.04 3k0s n ILE 96 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3k0s s GLY 97 N -6.39 1.68 -0.33 7.39 0.00 -0.81 -4.93 107.32 103.93 3k0s s GLY 97 Ca -0.34 -0.95 -0.11 0.00 0.00 0.00 0.00 44.72 43.33 3k0s s GLY 97 CO 0.62 -0.26 0.18 -0.35 0.00 0.00 0.00 173.10 173.29 3k0s s ASP 98 N -4.57 5.69 0.35 1.64 -1.08 -1.26 -4.78 116.67 112.66 3k0s s ASP 98 Ca 0.70 -0.60 0.08 0.00 -0.52 0.00 0.00 52.55 52.21 3k0s s ASP 98 Cb -0.08 -2.03 0.79 0.00 -1.46 0.00 0.00 42.92 40.14 3k0s s ASP 98 CO 0.53 -0.24 1.87 -0.65 0.52 0.00 0.00 175.17 177.20 3k0s h PRO 99 N 8.40 0.70 -0.10 4.34 0.11 -1.96 -1.32 132.00 142.17 3k0s h PRO 99 Ca -0.31 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 3k0s h PRO 99 Cb 1.14 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3k0s h PRO 99 CO 0.63 0.46 -0.19 0.00 -0.21 0.00 0.00 178.00 178.70 3k0s h ALA 100 N 1.59 1.51 -0.42 -0.75 0.00 -1.98 -2.65 119.26 116.57 3k0s h ALA 100 Ca 0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3k0s h ALA 100 Cb 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3k0s h ALA 100 CO -0.20 0.35 0.02 0.25 0.00 0.00 0.00 179.25 179.67 3k0s n THR 101 N -4.25 2.54 -4.10 0.00 -2.24 -0.53 -4.93 114.28 100.77 3k0s n THR 101 Ca -0.01 -1.74 -0.30 0.00 -2.27 0.00 0.00 64.05 59.73 3k0s n THR 101 Cb 0.29 -0.28 -0.16 0.00 -2.10 0.00 0.00 70.33 68.08 3k0s n THR 101 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3k0s s SER 102 N -1.48 2.74 0.06 3.42 0.01 -1.00 -4.96 113.70 112.49 3k0s s SER 102 Ca 0.48 -0.51 -0.28 0.00 1.31 0.00 0.00 55.95 56.95 3k0s s SER 102 Cb 0.38 -1.23 -0.17 0.00 0.21 0.00 0.00 66.02 65.21 3k0s s SER 102 CO 0.11 -0.04 1.57 0.11 0.41 0.00 0.00 173.24 175.40 3k0s h LYS 103 N 7.95 -0.44 0.00 12.44 1.57 -1.92 -3.45 116.57 132.72 3k0s h LYS 103 Ca -0.39 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3k0s h LYS 103 Cb 1.14 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3k0s h LYS 103 CO 0.54 -0.24 0.00 0.41 -0.57 0.00 0.00 179.45 179.60 3k0s n GLY 104 N -1.03 0.93 3.62 3.86 0.00 -1.26 -5.04 105.19 106.27 3k0s n GLY 104 Ca -0.10 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 3k0s n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k0s n PRO 105 N -0.28 1.59 -2.20 1.61 -0.02 -1.26 -4.94 135.00 129.51 3k0s n PRO 105 Ca 0.00 0.56 -0.35 0.00 -2.02 0.00 0.00 63.50 61.68 3k0s n PRO 105 Cb 0.00 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3k0s n PRO 105 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k0s s VAL 106 N -0.93 3.02 0.18 -1.45 0.11 -1.26 -4.92 120.40 115.15 3k0s s VAL 106 Ca 0.60 0.64 -0.33 0.00 -2.93 0.00 0.00 61.98 59.96 3k0s s VAL 106 Cb -0.67 -3.26 -0.14 0.00 -1.53 0.00 0.00 36.38 30.77 3k0s s VAL 106 CO 0.59 -0.13 1.48 1.21 -3.33 0.00 0.00 175.10 174.92 3k0s n GLU 107 N -1.33 1.98 -4.34 1.54 2.13 -1.26 -4.78 120.64 114.57 3k0s n GLU 107 Ca 0.12 0.71 -0.21 0.00 0.66 0.00 0.00 57.16 58.44 3k0s n GLU 107 Cb 0.50 -2.42 -0.11 0.00 0.27 0.00 0.00 31.44 29.69 3k0s n GLU 107 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3k0s s ARG 108 N 0.35 1.31 -0.06 5.31 0.52 -1.26 0.16 118.95 125.28 3k0s s ARG 108 Ca 0.75 -1.47 -0.15 0.00 -0.52 0.00 0.00 55.73 54.35 3k0s s ARG 108 Cb -0.70 -1.31 0.03 0.00 0.52 0.00 0.00 34.95 33.48 3k0s s ARG 108 CO 0.43 0.26 0.34 0.15 0.02 0.00 0.00 175.30 176.50 3k0s s LYS 109 N -3.01 0.60 -0.36 3.54 1.02 -0.17 -4.89 119.74 116.47 3k0s s LYS 109 Ca 0.18 0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.93 3k0s s LYS 109 Cb -0.05 0.27 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 3k0s s LYS 109 CO 0.07 -0.14 1.24 0.08 -0.92 0.00 0.00 175.35 175.68 3k0s s VAL 110 N -0.82 4.19 -0.51 3.17 1.01 -1.26 -0.22 120.40 125.95 3k0s s VAL 110 Ca -0.09 1.30 0.22 0.00 0.00 0.00 0.00 61.98 63.42 3k0s s VAL 110 Cb -0.04 -4.30 -0.17 0.00 0.00 0.00 0.00 36.38 31.87 3k0s s VAL 110 CO 0.03 -0.63 0.90 1.33 0.00 0.00 0.00 175.10 176.73 3k0s n VAL 111 N 6.41 0.14 -3.60 2.92 0.24 -0.31 -4.97 118.33 119.17 3k0s n VAL 111 Ca 0.14 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 3k0s n VAL 111 Cb 0.47 0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 33.01 3k0s n VAL 111 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3k0s s ARG 112 N -3.25 0.64 -0.12 7.34 3.52 -1.22 -4.53 118.95 121.33 3k0s s ARG 112 Ca 0.01 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 3k0s s ARG 112 Cb 0.14 0.31 0.02 0.00 -1.56 0.00 0.00 34.95 33.86 3k0s s ARG 112 CO 0.83 -0.15 -0.10 0.42 -0.81 0.00 0.00 175.30 175.49 3k0s s ILE 113 N -0.54 1.23 -0.34 4.11 1.01 0.92 0.00 121.20 127.59 3k0s s ILE 113 Ca -0.01 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 3k0s s ILE 113 Cb -0.02 -1.20 -0.00 0.00 0.01 0.00 0.00 42.46 41.25 3k0s s ILE 113 CO -0.00 0.40 0.59 -0.69 0.00 0.00 0.00 174.94 175.24 3k0s s VAL 114 N 1.56 4.95 0.19 2.92 1.01 0.22 -4.65 120.40 126.59 3k0s s VAL 114 Ca 0.04 0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.65 3k0s s VAL 114 Cb -0.13 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3k0s s VAL 114 CO -0.08 -0.23 -0.14 0.42 0.00 0.00 0.00 175.10 175.06 3k0s s THR 115 N 2.57 1.63 0.52 3.92 -4.23 -1.26 -0.72 115.64 118.07 3k0s s THR 115 Ca 0.22 -2.12 0.26 0.00 -1.18 0.00 0.00 61.69 58.87 3k0s s THR 115 Cb -0.15 -1.96 0.31 0.00 1.34 0.00 0.00 72.50 72.04 3k0s s THR 115 CO 0.14 -0.58 2.16 -0.65 -0.54 0.00 0.00 174.62 175.15 3k0s h PRO 116 N 2.73 0.00 -0.40 3.99 0.11 -1.87 -1.81 132.00 134.74 3k0s h PRO 116 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3k0s h PRO 116 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3k0s h PRO 116 CO 0.60 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.86 3k0s n GLY 117 N -1.13 1.91 0.10 -0.55 0.00 -1.26 -4.41 105.19 99.86 3k0s n GLY 117 Ca -0.03 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.44 3k0s n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k0s n THR 118 N 1.15 1.18 -2.70 2.61 -2.24 -0.69 -3.63 114.28 109.96 3k0s n THR 118 Ca 0.17 -1.35 -0.36 0.00 -2.27 0.00 0.00 64.05 60.23 3k0s n THR 118 Cb 0.52 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 3k0s n THR 118 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3k0s s ILE 119 N -1.63 4.05 0.00 2.28 -4.36 -1.18 -4.80 121.20 115.55 3k0s s ILE 119 Ca 0.15 1.59 0.00 0.00 -0.26 0.00 0.00 60.65 62.12 3k0s s ILE 119 Cb 0.13 -3.83 0.00 0.00 1.25 0.00 0.00 42.46 40.01 3k0s s ILE 119 CO 0.01 0.02 0.05 -1.54 0.24 0.00 0.00 174.94 173.73 3k0s n SER 120 N 0.15 0.09 -4.74 4.36 3.41 -1.26 -4.68 113.62 110.96 3k0s n SER 120 Ca 0.04 -0.48 -0.41 0.00 -0.26 0.00 0.00 58.87 57.76 3k0s n SER 120 Cb 0.50 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 3k0s n SER 120 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3k0s s ASP 121 N -0.13 7.16 0.39 4.04 1.01 -1.26 -4.81 116.67 123.07 3k0s s ASP 121 Ca 0.00 2.16 0.06 0.00 0.71 0.00 0.00 52.55 55.48 3k0s s ASP 121 Cb 0.00 -2.60 0.80 0.00 1.01 0.00 0.00 42.92 42.12 3k0s s ASP 121 CO 0.00 -0.31 2.02 -0.08 0.21 0.00 0.00 175.17 177.00 3k0s h GLU 122 N 5.27 0.64 -0.89 8.23 4.81 -1.97 -1.99 114.58 128.69 3k0s h GLU 122 Ca -0.44 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 3k0s h GLU 122 Cb 1.21 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 3k0s h GLU 122 CO 0.74 0.42 0.59 0.00 -0.73 0.00 0.00 179.01 180.03 3k0s h ALA 123 N 1.68 1.42 -0.01 2.92 0.00 -2.03 -3.13 119.26 120.10 3k0s h ALA 123 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k0s h ALA 123 Cb 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3k0s h ALA 123 CO -0.06 0.51 -0.22 1.28 0.00 0.00 0.00 179.25 180.76 3k0s n LEU 124 N -4.43 1.37 -4.87 0.00 4.77 -0.75 -4.93 117.00 108.15 3k0s n LEU 124 Ca 0.11 -0.42 -0.21 0.00 -0.03 0.00 0.00 56.01 55.46 3k0s n LEU 124 Cb 0.08 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3k0s n LEU 124 CO 0.35 0.25 -0.02 -0.76 -1.33 0.00 0.00 177.39 175.88 3k0s s LEU 125 N -2.37 3.46 -0.17 2.23 1.43 -1.19 -5.02 118.68 117.06 3k0s s LEU 125 Ca 0.26 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 3k0s s LEU 125 Cb 0.19 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3k0s s LEU 125 CO 0.48 -0.57 0.08 -1.10 0.23 0.00 0.00 176.35 175.47 3k0s s GLN 126 N -4.10 3.92 0.08 1.70 -1.52 -1.26 -5.02 119.66 113.46 3k0s s GLN 126 Ca 0.46 -0.31 -0.24 0.00 -1.95 0.00 0.00 55.36 53.32 3k0s s GLN 126 Cb -0.04 -3.23 -0.16 0.00 -0.22 0.00 0.00 33.01 29.37 3k0s s GLN 126 CO 0.28 0.34 1.71 0.93 -0.25 0.00 0.00 175.29 178.30 3k0s h GLU 127 N 6.46 -0.09 -0.59 2.91 5.08 -1.97 -3.07 114.58 123.31 3k0s h GLU 127 Ca -0.40 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3k0s h GLU 127 Cb 1.17 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3k0s h GLU 127 CO 0.70 -0.05 0.00 0.54 -1.00 0.00 0.00 179.01 179.20 3k0s n ARG 128 N -5.12 4.80 -4.35 2.33 1.74 -1.26 -4.61 116.66 110.18 3k0s n ARG 128 Ca -0.08 -3.15 -0.20 0.00 -0.77 0.00 0.00 57.85 53.65 3k0s n ARG 128 Cb 0.07 -2.23 -0.16 0.00 -1.02 0.00 0.00 32.46 29.12 3k0s n ARG 128 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3k0s s GLN 129 N -2.67 0.99 0.61 5.56 -0.21 -1.16 -4.49 119.66 118.28 3k0s s GLN 129 Ca 0.55 -0.27 -0.18 0.00 0.02 0.00 0.00 55.36 55.47 3k0s s GLN 129 Cb 0.41 -0.92 -0.03 0.00 1.00 0.00 0.00 33.01 33.47 3k0s s GLN 129 CO 0.17 0.06 1.23 -0.51 -2.12 0.00 0.00 175.29 174.12 3k0s s ASP 130 N 0.39 5.03 -0.33 5.90 1.01 -1.26 -4.56 116.67 122.85 3k0s s ASP 130 Ca -0.06 2.44 -0.01 0.00 0.71 0.00 0.00 52.55 55.63 3k0s s ASP 130 Cb -0.10 -2.60 0.11 0.00 1.01 0.00 0.00 42.92 41.33 3k0s s ASP 130 CO 0.01 -1.71 0.14 0.21 0.21 0.00 0.00 175.17 174.03 3k0s s ASN 131 N -1.56 3.70 -0.01 0.27 2.47 -1.26 -4.99 114.94 113.56 3k0s s ASN 131 Ca 0.79 -1.79 -0.02 0.00 0.42 0.00 0.00 52.86 52.26 3k0s s ASN 131 Cb -0.32 -0.70 -0.04 0.00 -1.45 0.00 0.00 41.25 38.74 3k0s s ASN 131 CO 0.35 -0.38 0.13 -0.76 -3.72 0.00 0.00 177.10 172.72 3k0s s LEU 132 N 1.46 4.15 0.03 3.21 1.43 -1.26 -4.50 118.68 123.19 3k0s s LEU 132 Ca 0.12 0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 3k0s s LEU 132 Cb -0.19 -2.44 -0.06 0.00 0.03 0.00 0.00 46.19 43.53 3k0s s LEU 132 CO -0.20 0.27 0.40 -0.22 0.23 0.00 0.00 176.35 176.83 3k0s s LEU 133 N -1.83 4.43 0.02 1.79 2.96 -0.43 -0.77 118.68 124.85 3k0s s LEU 133 Ca 0.25 0.89 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 3k0s s LEU 133 Cb -0.12 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.83 3k0s s LEU 133 CO 0.16 0.27 -0.04 0.00 -1.32 0.00 0.00 176.35 175.42 3k0s s ALA 134 N -1.20 0.22 0.01 5.97 0.00 -0.53 -0.26 121.76 125.97 3k0s s ALA 134 Ca 0.27 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.72 3k0s s ALA 134 Cb -0.16 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3k0s s ALA 134 CO 0.15 -0.11 -0.19 0.00 0.00 0.00 0.00 175.76 175.61 3k0s s ALA 135 N -1.29 1.61 0.02 0.00 0.00 0.07 -0.06 121.76 122.12 3k0s s ALA 135 Ca -0.13 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 50.96 3k0s s ALA 135 Cb -0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 3k0s s ALA 135 CO -0.01 0.37 -0.13 -1.50 0.00 0.00 0.00 175.76 174.50 3k0s s ILE 136 N -0.62 1.02 -0.06 0.00 2.07 0.15 -1.45 121.20 122.31 3k0s s ILE 136 Ca 0.07 -0.83 -0.06 0.00 -1.41 0.00 0.00 60.65 58.42 3k0s s ILE 136 Cb -0.08 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.62 3k0s s ILE 136 CO 0.00 0.07 0.16 0.86 -1.91 0.00 0.00 174.94 174.13 3k0s s TRP 137 N -0.68 -0.16 -0.06 3.50 -0.11 -0.34 -3.39 118.94 117.69 3k0s s TRP 137 Ca 0.02 0.40 0.01 0.00 1.22 0.00 0.00 56.10 57.74 3k0s s TRP 137 Cb -0.07 0.05 0.02 0.00 -1.50 0.00 0.00 33.47 31.98 3k0s s TRP 137 CO 0.01 -0.10 -0.05 -1.14 -4.62 0.00 0.00 176.95 171.04 3k0s s GLN 138 N -0.03 1.01 0.00 5.86 0.74 -1.26 0.05 119.66 126.03 3k0s s GLN 138 Ca -0.01 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.27 3k0s s GLN 138 Cb -0.02 -1.05 0.00 0.00 1.10 0.00 0.00 33.01 33.04 3k0s s GLN 138 CO 0.00 -0.13 0.00 -0.40 -0.55 0.00 0.00 175.29 174.21 3k0s n ASP 139 N 4.35 1.14 0.25 6.67 5.68 -0.48 -4.88 116.55 129.28 3k0s n ASP 139 Ca -0.19 -0.43 0.14 0.00 -0.50 0.00 0.00 54.79 53.81 3k0s n ASP 139 Cb 0.51 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.32 3k0s n ASP 139 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3k0s h SER 140 N 0.00 0.00 0.00 -1.12 0.02 -2.02 -3.22 113.55 107.21 3k0s h SER 140 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k0s h SER 140 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3k0s h SER 140 CO 0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 3k0s n LYS 141 N -3.99 -0.42 -3.01 3.45 5.02 -1.26 -5.12 118.16 112.82 3k0s n LYS 141 Ca -0.01 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 3k0s n LYS 141 Cb 0.17 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 3k0s n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k0s n GLY 142 N -0.00 -1.13 3.48 0.72 0.00 -1.22 -4.91 105.19 102.13 3k0s n GLY 142 Ca 0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 3k0s n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k0s s PHE 143 N -3.00 2.43 0.08 1.61 0.08 -1.03 -1.38 117.98 116.77 3k0s s PHE 143 Ca 0.00 -0.31 0.08 0.00 0.12 0.00 0.00 56.93 56.83 3k0s s PHE 143 Cb 0.00 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 3k0s s PHE 143 CO 0.00 0.50 -0.21 0.20 -0.10 0.00 0.00 175.22 175.60 3k0s s GLY 144 N -2.69 1.23 -0.21 4.36 0.00 0.11 -3.78 107.32 106.35 3k0s s GLY 144 Ca 0.22 -1.20 -0.15 0.00 0.00 0.00 0.00 44.72 43.59 3k0s s GLY 144 CO 0.12 -1.18 0.53 -0.47 0.00 0.00 0.00 173.10 172.10 3k0s s TYR 145 N -1.03 -0.72 -0.00 1.90 5.04 -0.10 -1.20 117.35 121.24 3k0s s TYR 145 Ca 0.07 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.28 3k0s s TYR 145 Cb -0.10 0.33 0.00 0.00 0.35 0.00 0.00 41.96 42.55 3k0s s TYR 145 CO 0.04 -0.37 -0.01 0.00 -1.34 0.00 0.00 175.55 173.87 3k0s s ALA 146 N 1.00 0.12 0.12 3.97 0.00 -0.53 -0.39 121.76 126.06 3k0s s ALA 146 Ca -0.06 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 51.95 3k0s s ALA 146 Cb -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3k0s s ALA 146 CO -0.09 0.02 -0.22 0.95 0.00 0.00 0.00 175.76 176.42 3k0s s THR 147 N 0.02 1.91 -0.02 0.00 -4.23 -0.26 -0.75 115.64 112.31 3k0s s THR 147 Ca 0.00 -1.67 -0.00 0.00 -1.18 0.00 0.00 61.69 58.84 3k0s s THR 147 Cb -0.01 -1.74 0.03 0.00 1.34 0.00 0.00 72.50 72.12 3k0s s THR 147 CO -0.00 -0.05 0.04 -0.22 -0.54 0.00 0.00 174.62 173.85 3k0s s LEU 148 N -2.06 1.06 -0.69 4.79 2.96 0.64 -1.24 118.68 124.14 3k0s s LEU 148 Ca 0.10 0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 53.90 3k0s s LEU 148 Cb -0.09 -0.03 0.14 0.00 0.50 0.00 0.00 46.19 46.71 3k0s s LEU 148 CO 0.05 -0.13 0.74 -0.62 -1.32 0.00 0.00 176.35 175.07 3k0s s ASP 149 N 1.06 6.39 0.61 3.68 -1.08 -0.26 -1.31 116.67 125.76 3k0s s ASP 149 Ca -0.09 -1.91 0.36 0.00 -0.52 0.00 0.00 52.55 50.40 3k0s s ASP 149 Cb -0.12 -2.27 1.99 0.00 -1.46 0.00 0.00 42.92 41.05 3k0s s ASP 149 CO -0.03 -0.92 2.25 -0.29 0.52 0.00 0.00 175.17 176.70 3k0s h ILE 150 N 5.61 0.25 0.00 4.11 2.10 -1.84 0.28 117.51 128.03 3k0s h ILE 150 Ca -0.13 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.66 3k0s h ILE 150 Cb 1.07 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 3k0s h ILE 150 CO 1.00 0.02 -0.14 -1.20 -1.08 0.00 0.00 178.15 176.75 3k0s n SER 151 N -3.39 0.68 0.00 2.19 7.64 -1.26 -4.16 113.62 115.32 3k0s n SER 151 Ca -0.02 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.30 3k0s n SER 151 Cb 0.13 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3k0s n SER 151 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3k0s n SER 152 N -2.11 2.71 0.00 6.43 3.41 -0.16 -4.02 113.62 119.88 3k0s n SER 152 Ca 0.05 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3k0s n SER 152 Cb 0.42 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 3k0s n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k0s n GLY 153 N 1.56 0.80 3.64 5.00 0.00 0.82 -4.92 105.19 112.09 3k0s n GLY 153 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3k0s n GLY 153 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k0s s ARG 154 N -0.36 3.88 -0.23 1.61 3.52 -1.23 -4.64 118.95 121.51 3k0s s ARG 154 Ca 0.00 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 57.41 3k0s s ARG 154 Cb 0.00 -4.03 0.06 0.00 -1.56 0.00 0.00 34.95 29.42 3k0s s ARG 154 CO 0.00 -1.20 -0.04 0.12 -0.81 0.00 0.00 175.30 173.38 3k0s s PHE 155 N 4.98 2.19 0.15 5.12 5.36 -1.26 -1.10 117.98 133.41 3k0s s PHE 155 Ca 0.73 -1.62 0.11 0.00 -0.96 0.00 0.00 56.93 55.18 3k0s s PHE 155 Cb -0.27 -1.50 -0.04 0.00 -0.34 0.00 0.00 43.02 40.87 3k0s s PHE 155 CO 0.29 -0.75 -0.26 1.03 -1.46 0.00 0.00 175.22 174.07 3k0s s ARG 156 N 1.47 1.45 -0.01 10.12 1.81 -0.37 -1.69 118.95 131.73 3k0s s ARG 156 Ca -0.05 -1.39 0.01 0.00 -1.72 0.00 0.00 55.73 52.58 3k0s s ARG 156 Cb -0.19 -1.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.42 3k0s s ARG 156 CO -0.07 0.44 -0.03 -1.17 -0.68 0.00 0.00 175.30 173.79 3k0s s LEU 157 N -2.23 1.91 0.19 2.53 0.20 -0.56 -1.10 118.68 119.61 3k0s s LEU 157 Ca 0.16 -0.06 -0.18 0.00 0.69 0.00 0.00 54.13 54.74 3k0s s LEU 157 Cb -0.09 -0.19 0.03 0.00 -0.43 0.00 0.00 46.19 45.50 3k0s s LEU 157 CO 0.07 0.03 0.53 -0.94 -0.29 0.00 0.00 176.35 175.75 3k0s s SER 158 N 0.05 -0.28 -0.45 3.68 1.04 0.48 -0.85 113.70 117.36 3k0s s SER 158 Ca -0.00 -0.44 0.07 0.00 0.48 0.00 0.00 55.95 56.06 3k0s s SER 158 Cb -0.03 0.58 0.23 0.00 0.10 0.00 0.00 66.02 66.90 3k0s s SER 158 CO -0.00 -1.04 0.51 -0.62 0.98 0.00 0.00 173.24 173.06 3k0s n GLU 159 N -0.34 0.90 -1.60 4.02 1.02 -1.26 -0.93 120.64 122.45 3k0s n GLU 159 Ca -0.11 -3.47 -0.50 0.00 -0.02 0.00 0.00 57.16 53.06 3k0s n GLU 159 Cb 0.63 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 3k0s n GLU 159 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3k0s n PRO 160 N 1.69 1.30 0.13 3.49 -0.02 -1.25 -4.77 135.00 135.56 3k0s n PRO 160 Ca 0.24 0.47 0.01 0.00 -2.02 0.00 0.00 63.50 62.20 3k0s n PRO 160 Cb 0.49 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.90 3k0s n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k0s h ALA 161 N 4.40 0.63 -2.63 3.55 0.00 -1.94 -2.73 119.26 120.53 3k0s h ALA 161 Ca -0.46 -0.54 -0.22 0.00 0.00 0.00 0.00 54.91 53.69 3k0s h ALA 161 Cb 1.33 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 3k0s h ALA 161 CO 0.77 0.74 -0.55 0.16 0.00 0.00 0.00 179.25 180.37 3k0s s ASP 162 N -6.51 0.14 0.34 0.00 1.47 -1.26 -4.64 116.67 106.21 3k0s s ASP 162 Ca 0.03 -1.33 0.06 0.00 1.18 0.00 0.00 52.55 52.48 3k0s s ASP 162 Cb 0.08 0.41 0.72 0.00 -0.34 0.00 0.00 42.92 43.79 3k0s s ASP 162 CO 0.76 -0.88 1.91 -0.09 0.68 0.00 0.00 175.17 177.54 3k0s h ARG 163 N 2.56 0.78 -0.29 2.11 2.43 -1.99 -1.80 114.38 118.18 3k0s h ARG 163 Ca -0.35 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.65 3k0s h ARG 163 Cb 1.25 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3k0s h ARG 163 CO 0.50 0.51 -0.34 0.93 -1.51 0.00 0.00 179.97 180.07 3k0s h GLU 164 N 0.80 0.63 0.02 0.20 3.07 -1.99 -0.82 114.58 116.49 3k0s h GLU 164 Ca 0.39 -0.30 -0.24 0.00 -0.50 0.00 0.00 59.36 58.71 3k0s h GLU 164 Cb 0.43 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.30 3k0s h GLU 164 CO -0.16 0.89 -1.17 1.79 -1.40 0.00 0.00 179.01 178.96 3k0s h THR 165 N 0.53 1.52 0.19 1.13 1.35 -1.89 -2.45 112.91 113.28 3k0s h THR 165 Ca 0.06 -3.23 0.00 0.00 -0.55 0.00 0.00 66.41 62.69 3k0s h THR 165 Cb 0.84 2.78 -0.01 0.00 -1.73 0.00 0.00 68.15 70.04 3k0s h THR 165 CO 0.07 0.88 -0.17 -0.03 -0.25 0.00 0.00 175.52 176.02 3k0s h MET 166 N 0.01 -0.36 -0.76 4.72 -1.53 -1.15 0.13 114.93 115.98 3k0s h MET 166 Ca -0.08 0.02 0.11 0.00 -3.44 0.00 0.00 59.70 56.31 3k0s h MET 166 Cb 1.85 0.08 -0.08 0.00 -0.55 0.00 0.00 31.60 32.90 3k0s h MET 166 CO 0.13 -0.24 0.38 0.00 0.14 0.00 0.00 176.91 177.32 3k0s h ALA 167 N 0.40 1.07 -0.67 0.39 0.00 -1.17 -0.69 119.26 118.60 3k0s h ALA 167 Ca -0.00 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3k0s h ALA 167 Cb 0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3k0s h ALA 167 CO -0.03 -0.04 0.11 0.00 0.00 0.00 0.00 179.25 179.29 3k0s h ALA 168 N 1.47 0.89 -0.38 0.00 0.00 -1.06 -1.85 119.26 118.33 3k0s h ALA 168 Ca 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3k0s h ALA 168 Cb 0.44 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3k0s h ALA 168 CO -0.29 0.65 0.18 1.49 0.00 0.00 0.00 179.25 181.28 3k0s h GLU 169 N 1.03 0.54 -0.90 0.00 4.57 0.09 -1.18 114.58 118.72 3k0s h GLU 169 Ca 0.20 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3k0s h GLU 169 Cb 0.44 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 3k0s h GLU 169 CO 0.01 0.48 0.59 -0.07 -1.18 0.00 0.00 179.01 178.85 3k0s h LEU 170 N 0.47 1.00 -0.38 1.64 3.38 -0.98 -1.59 115.31 118.85 3k0s h LEU 170 Ca 0.13 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 3k0s h LEU 170 Cb 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3k0s h LEU 170 CO -0.02 0.70 -0.66 -0.61 0.09 0.00 0.00 178.44 177.95 3k0s h GLN 171 N 1.17 0.58 0.27 1.13 4.15 -1.01 0.81 115.11 122.22 3k0s h GLN 171 Ca 0.35 -0.43 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 3k0s h GLN 171 Cb -0.05 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3k0s h GLN 171 CO -0.09 1.05 -0.13 -0.09 -1.93 0.00 0.00 178.83 177.63 3k0s h ARG 172 N 0.42 -0.36 0.00 1.69 2.43 -0.91 -3.29 114.38 114.36 3k0s h ARG 172 Ca -0.02 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3k0s h ARG 172 Cb 1.24 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 3k0s h ARG 172 CO 0.12 -0.10 -0.52 1.79 -1.51 0.00 0.00 179.97 179.76 3k0s h THR 173 N -0.59 0.51 -6.91 0.20 1.35 -1.32 -3.48 112.91 102.67 3k0s h THR 173 Ca -0.04 -1.75 -0.59 0.00 -0.55 0.00 0.00 66.41 63.48 3k0s h THR 173 Cb 0.42 2.18 -0.05 0.00 -1.73 0.00 0.00 68.15 68.98 3k0s h THR 173 CO 0.06 0.29 -1.00 -3.20 -0.25 0.00 0.00 175.52 171.42 3k0s n ASN 174 N -3.10 -3.18 -4.66 5.36 5.15 0.27 -4.79 115.26 110.31 3k0s n ASN 174 Ca 0.01 -1.27 -0.40 0.00 -0.60 0.00 0.00 54.58 52.31 3k0s n ASN 174 Cb 0.68 -1.80 0.02 0.00 -0.53 0.00 0.00 39.78 38.15 3k0s n ASN 174 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3k0s n PRO 175 N -4.91 1.52 0.15 1.20 -0.02 -1.26 -4.75 135.00 126.92 3k0s n PRO 175 Ca -0.15 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 61.93 3k0s n PRO 175 Cb 0.59 -2.27 0.05 0.00 -0.02 0.00 0.00 33.50 31.86 3k0s n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k0s h ALA 176 N 1.51 0.74 -3.61 3.55 0.00 -1.27 -3.45 119.26 116.73 3k0s h ALA 176 Ca -0.47 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 53.88 3k0s h ALA 176 Cb 1.32 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.83 3k0s h ALA 176 CO 0.57 0.43 -0.67 -2.00 0.00 0.00 0.00 179.25 177.57 3k0s s GLU 177 N -3.06 0.05 -0.20 0.00 2.12 -1.19 -4.13 118.70 112.29 3k0s s GLU 177 Ca 0.04 0.07 -0.02 0.00 0.36 0.00 0.00 54.97 55.41 3k0s s GLU 177 Cb 0.07 0.01 0.06 0.00 0.26 0.00 0.00 34.13 34.53 3k0s s GLU 177 CO 0.74 -0.02 0.03 -1.17 -0.54 0.00 0.00 175.26 174.30 3k0s s LEU 178 N 0.09 1.37 -0.07 2.70 2.96 -0.11 -1.45 118.68 124.15 3k0s s LEU 178 Ca -0.01 -0.88 -0.25 0.00 -0.22 0.00 0.00 54.13 52.78 3k0s s LEU 178 Cb -0.01 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 3k0s s LEU 178 CO -0.00 -0.30 0.76 -0.76 -1.32 0.00 0.00 176.35 174.73 3k0s s LEU 179 N 1.80 4.30 -0.00 -0.68 1.43 0.92 -0.69 118.68 125.76 3k0s s LEU 179 Ca -0.01 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.37 3k0s s LEU 179 Cb -0.17 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 3k0s s LEU 179 CO -0.08 -0.19 -0.08 -0.72 0.23 0.00 0.00 176.35 175.51 3k0s s TYR 180 N 1.07 0.72 0.33 0.29 1.13 -0.11 0.29 117.35 121.07 3k0s s TYR 180 Ca 0.40 -0.16 -0.29 0.00 -1.41 0.00 0.00 57.07 55.61 3k0s s TYR 180 Cb -0.18 -0.46 -0.11 0.00 -1.10 0.00 0.00 41.96 40.12 3k0s s TYR 180 CO 0.19 -0.01 1.42 0.00 -2.51 0.00 0.00 175.55 174.63 3k0s s ALA 181 N -0.27 3.57 0.46 9.51 0.00 -1.22 -0.79 121.76 133.02 3k0s s ALA 181 Ca 0.02 1.42 0.28 0.00 0.00 0.00 0.00 51.96 53.68 3k0s s ALA 181 Cb -0.04 -3.55 1.34 0.00 0.00 0.00 0.00 23.12 20.87 3k0s s ALA 181 CO -0.00 -0.85 1.75 1.05 0.00 0.00 0.00 175.76 177.71 3k0s h GLU 182 N 3.58 0.19 -0.64 0.00 4.11 -1.13 0.44 114.58 121.12 3k0s h GLU 182 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3k0s h GLU 182 Cb 1.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3k0s h GLU 182 CO 0.68 0.12 0.00 -0.40 0.07 0.00 0.00 179.01 179.48 3k0s n ASP 183 N -4.46 3.25 -4.66 3.06 5.75 -1.26 -4.92 116.55 113.30 3k0s n ASP 183 Ca 0.28 -2.34 -0.42 0.00 -0.01 0.00 0.00 54.79 52.30 3k0s n ASP 183 Cb 1.14 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 3k0s n ASP 183 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3k0s s PHE 184 N -1.81 1.72 -0.11 2.11 5.36 0.14 -4.90 117.98 120.50 3k0s s PHE 184 Ca 0.31 -0.06 -0.10 0.00 -0.96 0.00 0.00 56.93 56.12 3k0s s PHE 184 Cb 0.21 -4.05 -0.26 0.00 -0.34 0.00 0.00 43.02 38.58 3k0s s PHE 184 CO 0.13 -4.53 0.43 0.00 -1.46 0.00 0.00 175.22 169.80 3k0s h ALA 185 N 9.89 0.33 -0.42 11.12 0.00 -1.90 -3.40 119.26 134.89 3k0s h ALA 185 Ca -0.43 -1.29 -0.72 0.00 0.00 0.00 0.00 54.91 52.46 3k0s h ALA 185 Cb 1.20 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 19.55 3k0s h ALA 185 CO 0.95 1.14 2.82 -1.91 0.00 0.00 0.00 179.25 182.25 3k0s n GLU 186 N -3.66 3.76 0.28 0.00 4.07 -1.26 -4.73 120.64 119.10 3k0s n GLU 186 Ca -0.30 -2.99 0.16 0.00 -0.06 0.00 0.00 57.16 53.97 3k0s n GLU 186 Cb 1.00 -2.89 0.77 0.00 -0.06 0.00 0.00 31.44 30.26 3k0s n GLU 186 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 3k0s h MET 187 N 5.29 0.00 0.00 5.31 2.86 -2.01 -2.66 114.93 123.73 3k0s h MET 187 Ca 0.64 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.27 3k0s h MET 187 Cb 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 3k0s h MET 187 CO 1.68 0.07 -0.03 0.66 1.06 0.00 0.00 176.91 180.35 3k0s h SER 188 N 0.00 0.00 0.03 1.22 4.64 -1.94 0.88 113.55 118.38 3k0s h SER 188 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3k0s h SER 188 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3k0s h SER 188 CO 0.01 0.03 -0.24 -0.07 -0.87 0.00 0.00 176.83 175.69 3k0s h LEU 189 N 0.00 0.35 0.00 5.97 3.38 -1.89 -3.39 115.31 119.74 3k0s h LEU 189 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3k0s h LEU 189 Cb 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k0s h LEU 189 CO 0.00 0.60 -0.86 2.30 0.09 0.00 0.00 178.44 180.58 3k0s n ILE 190 N -4.15 0.00 -1.75 1.22 -5.35 -0.56 -4.95 119.36 103.82 3k0s n ILE 190 Ca -0.01 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.08 3k0s n ILE 190 Cb 0.38 -0.14 0.03 0.00 -1.74 0.00 0.00 39.64 38.17 3k0s n ILE 190 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 3k0s n GLU 191 N -1.51 1.98 -1.30 6.28 0.28 0.20 -0.88 120.64 125.68 3k0s n GLU 191 Ca 0.00 0.71 -0.10 0.00 -0.16 0.00 0.00 57.16 57.61 3k0s n GLU 191 Cb 0.19 -2.58 -0.04 0.00 1.43 0.00 0.00 31.44 30.43 3k0s n GLU 191 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3k0s n GLY 192 N 0.68 1.11 3.85 -1.84 0.00 -1.26 -4.98 105.19 102.75 3k0s n GLY 192 Ca 0.08 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3k0s n GLY 192 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k0s s ARG 193 N -2.69 3.99 0.62 1.61 0.52 -0.06 -5.08 118.95 117.85 3k0s s ARG 193 Ca 0.00 0.74 -0.18 0.00 -0.52 0.00 0.00 55.73 55.78 3k0s s ARG 193 Cb 0.00 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 3k0s s ARG 193 CO 0.00 0.04 1.17 -0.98 0.02 0.00 0.00 175.30 175.55 3k0s s ARG 194 N -3.30 2.88 -1.05 3.54 1.70 -1.26 -4.04 118.95 117.42 3k0s s ARG 194 Ca 0.56 1.69 0.00 0.00 -0.47 0.00 0.00 55.73 57.50 3k0s s ARG 194 Cb -0.10 -1.93 0.00 0.00 -0.57 0.00 0.00 34.95 32.35 3k0s s ARG 194 CO 0.21 -1.24 0.00 0.41 -1.08 0.00 0.00 175.30 173.59 3k0s n GLY 195 N 0.22 0.33 3.77 3.88 0.00 -1.26 -4.48 105.19 107.65 3k0s n GLY 195 Ca 0.13 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3k0s n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k0s s LEU 196 N -3.07 4.33 -0.20 0.99 1.43 -1.26 -0.93 118.68 119.98 3k0s s LEU 196 Ca 0.00 2.99 -0.04 0.00 -1.03 0.00 0.00 54.13 56.05 3k0s s LEU 196 Cb 0.00 -3.66 0.07 0.00 0.03 0.00 0.00 46.19 42.63 3k0s s LEU 196 CO 0.00 -0.84 0.09 -0.13 0.23 0.00 0.00 176.35 175.70 3k0s s ARG 197 N -1.79 0.19 0.15 1.70 1.81 0.14 -4.87 118.95 116.28 3k0s s ARG 197 Ca 0.54 -0.24 -0.30 0.00 -1.72 0.00 0.00 55.73 54.01 3k0s s ARG 197 Cb -0.46 -1.75 -0.07 0.00 -0.45 0.00 0.00 34.95 32.22 3k0s s ARG 197 CO 0.59 -0.74 1.01 0.50 -0.68 0.00 0.00 175.30 175.99 3k0s s ARG 198 N 2.08 4.68 0.15 3.54 3.52 -1.26 -0.93 118.95 130.72 3k0s s ARG 198 Ca 0.03 1.55 0.07 0.00 -0.13 0.00 0.00 55.73 57.25 3k0s s ARG 198 Cb -0.16 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 3k0s s ARG 198 CO -0.14 0.19 -0.15 1.03 -0.81 0.00 0.00 175.30 175.42 3k0s s ARG 199 N -0.24 1.13 0.39 5.12 1.81 0.03 -4.90 118.95 122.29 3k0s s ARG 199 Ca 0.47 -1.36 -0.25 0.00 -1.72 0.00 0.00 55.73 52.88 3k0s s ARG 199 Cb -0.26 -1.01 -0.09 0.00 -0.45 0.00 0.00 34.95 33.15 3k0s s ARG 199 CO 0.32 0.19 1.07 -2.14 -0.68 0.00 0.00 175.30 174.06 3k0s s PRO 200 N -2.97 4.19 0.47 3.54 0.02 -1.26 -0.55 135.00 138.44 3k0s s PRO 200 Ca 0.13 1.60 0.28 0.00 0.02 0.00 0.00 61.00 63.03 3k0s s PRO 200 Cb -0.04 -2.64 1.33 0.00 0.02 0.00 0.00 34.50 33.18 3k0s s PRO 200 CO 0.04 -0.13 1.78 1.25 -0.33 0.00 0.00 177.00 179.61 3k0s h LEU 201 N 2.67 0.22 -1.38 -5.54 5.85 -1.96 -2.06 115.31 113.12 3k0s h LEU 201 Ca -0.48 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3k0s h LEU 201 Cb 1.22 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3k0s h LEU 201 CO 0.63 0.03 0.00 4.11 -0.34 0.00 0.00 178.44 182.87 3k0s h TRP 202 N 0.19 0.00 0.00 1.25 5.08 -2.01 -0.95 115.95 119.52 3k0s h TRP 202 Ca 0.59 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.56 3k0s h TRP 202 Cb 1.91 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.07 3k0s h TRP 202 CO -0.00 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 177.55 3k0s n GLU 203 N -2.55 0.15 -0.09 0.12 1.02 -0.77 -3.06 120.64 115.45 3k0s n GLU 203 Ca 0.00 0.03 0.06 0.00 -0.02 0.00 0.00 57.16 57.23 3k0s n GLU 203 Cb 0.18 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.20 3k0s n GLU 203 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3k0s n PHE 204 N -1.42 0.24 -1.92 -0.32 3.01 -0.36 -2.98 117.46 113.71 3k0s n PHE 204 Ca 0.09 -0.25 -0.42 0.00 1.01 0.00 0.00 57.45 57.88 3k0s n PHE 204 Cb 0.28 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.71 3k0s n PHE 204 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3k0s s GLU 205 N -0.97 4.21 0.09 -1.08 -6.30 -1.17 -4.60 118.70 108.88 3k0s s GLU 205 Ca 0.18 2.39 -0.20 0.00 -2.50 0.00 0.00 54.97 54.85 3k0s s GLU 205 Cb 0.11 -3.12 -0.09 0.00 0.00 0.00 0.00 34.13 31.03 3k0s s GLU 205 CO 0.15 -0.58 1.65 0.97 0.02 0.00 0.00 175.26 177.46 3k0s h ILE 206 N 3.84 1.15 -0.57 -3.70 6.09 -1.93 -2.11 117.51 120.28 3k0s h ILE 206 Ca -0.44 -0.45 0.05 0.00 -1.37 0.00 0.00 64.86 62.66 3k0s h ILE 206 Cb 1.21 1.09 -0.05 0.00 0.47 0.00 0.00 36.82 39.54 3k0s h ILE 206 CO 0.88 0.14 0.29 0.44 -3.07 0.00 0.00 178.15 176.84 3k0s h ASP 207 N 0.17 0.42 -0.19 2.19 3.32 -2.00 -0.95 116.42 119.38 3k0s h ASP 207 Ca 0.07 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 3k0s h ASP 207 Cb 0.15 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3k0s h ASP 207 CO -0.01 0.28 -0.40 0.71 -1.72 0.00 0.00 179.24 178.10 3k0s h THR 208 N 0.56 1.29 -0.36 0.35 1.35 -1.94 -1.48 112.91 112.68 3k0s h THR 208 Ca 0.25 -1.58 0.07 0.00 -0.55 0.00 0.00 66.41 64.60 3k0s h THR 208 Cb 0.16 1.49 -0.07 0.00 -1.73 0.00 0.00 68.15 68.00 3k0s h THR 208 CO -0.17 0.51 -0.08 0.00 -0.25 0.00 0.00 175.52 175.54 3k0s h ALA 209 N 0.95 0.25 -0.23 6.62 0.00 -0.72 0.90 119.26 127.03 3k0s h ALA 209 Ca 0.05 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3k0s h ALA 209 Cb 0.95 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3k0s h ALA 209 CO 0.09 -0.45 -0.02 0.00 0.00 0.00 0.00 179.25 178.87 3k0s h ARG 210 N 0.01 0.42 -0.53 0.00 3.08 -0.99 -0.66 114.38 115.72 3k0s h ARG 210 Ca 0.17 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.15 3k0s h ARG 210 Cb 0.26 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 3k0s h ARG 210 CO -0.36 0.62 0.19 0.37 -1.07 0.00 0.00 179.97 179.72 3k0s h GLN 211 N 0.18 0.36 -0.07 0.04 4.15 -0.88 -0.47 115.11 118.41 3k0s h GLN 211 Ca 0.06 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 3k0s h GLN 211 Cb 0.45 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 3k0s h GLN 211 CO 0.02 0.24 -0.10 1.96 -1.93 0.00 0.00 178.83 179.01 3k0s h GLN 212 N 0.37 0.20 0.02 1.69 1.08 -0.68 -1.73 115.11 116.06 3k0s h GLN 212 Ca 0.26 -0.12 0.02 0.00 -1.45 0.00 0.00 58.65 57.36 3k0s h GLN 212 Cb 0.28 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 3k0s h GLN 212 CO -0.26 0.67 -0.15 -0.07 -0.95 0.00 0.00 178.83 178.08 3k0s h LEU 213 N -0.25 -0.42 -1.58 1.46 3.38 -1.00 0.22 115.31 117.11 3k0s h LEU 213 Ca 0.01 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3k0s h LEU 213 Cb 0.65 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3k0s h LEU 213 CO 0.02 -0.21 0.41 0.78 0.09 0.00 0.00 178.44 179.53 3k0s h ASN 214 N -0.26 0.43 -0.28 -0.43 2.35 -1.10 0.82 115.58 117.11 3k0s h ASN 214 Ca 0.04 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 3k0s h ASN 214 Cb 0.31 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 3k0s h ASN 214 CO -0.13 0.27 -0.27 0.25 -1.65 0.00 0.00 177.43 175.91 3k0s h LEU 215 N 0.49 0.72 -0.92 1.61 5.85 -0.46 0.06 115.31 122.65 3k0s h LEU 215 Ca 0.27 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 3k0s h LEU 215 Cb 0.44 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3k0s h LEU 215 CO -0.08 1.04 0.26 -0.61 -0.34 0.00 0.00 178.44 178.71 3k0s h GLN 216 N 0.41 1.05 -0.00 1.25 5.75 0.10 -3.07 115.11 120.60 3k0s h GLN 216 Ca 0.05 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 3k0s h GLN 216 Cb 0.83 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.21 3k0s h GLN 216 CO 0.07 0.86 -0.43 1.19 -2.65 0.00 0.00 178.83 177.87 3k0s n PHE 217 N -4.29 0.00 -2.64 3.99 3.72 0.12 -4.86 117.46 113.50 3k0s n PHE 217 Ca 0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.35 3k0s n PHE 217 Cb 0.19 -0.18 0.02 0.00 -0.94 0.00 0.00 39.48 38.57 3k0s n PHE 217 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k0s n GLY 218 N 1.43 0.05 3.58 1.37 0.00 -0.49 -4.99 105.19 106.14 3k0s n GLY 218 Ca 0.08 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 3k0s n GLY 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k0s s THR 219 N -2.85 2.63 -0.02 2.61 -4.23 -0.11 -5.04 115.64 108.63 3k0s s THR 219 Ca 0.15 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 3k0s s THR 219 Cb -0.07 -2.67 -0.27 0.00 1.34 0.00 0.00 72.50 70.83 3k0s s THR 219 CO 0.19 -0.27 0.78 -0.09 -0.54 0.00 0.00 174.62 174.69 3k0s h ARG 220 N 1.96 0.22 -3.99 3.99 2.43 -1.96 -3.42 114.38 113.61 3k0s h ARG 220 Ca -0.42 -0.38 -0.24 0.00 -0.81 0.00 0.00 59.98 58.13 3k0s h ARG 220 Cb 1.25 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.87 3k0s h ARG 220 CO 0.65 1.06 -0.14 0.16 -1.51 0.00 0.00 179.97 180.19 3k0s s ASP 221 N -6.90 0.76 -0.09 -3.80 1.47 -1.26 -5.02 116.67 101.83 3k0s s ASP 221 Ca -0.10 -1.42 0.16 0.00 1.18 0.00 0.00 52.55 52.38 3k0s s ASP 221 Cb 0.07 0.68 0.57 0.00 -0.34 0.00 0.00 42.92 43.89 3k0s s ASP 221 CO 0.84 -1.32 1.49 0.18 0.68 0.00 0.00 175.17 177.03 3k0s n LEU 222 N -0.55 4.06 -0.07 2.11 4.77 -1.26 -4.66 117.00 121.41 3k0s n LEU 222 Ca -0.00 -2.40 -0.08 0.00 -0.03 0.00 0.00 56.01 53.50 3k0s n LEU 222 Cb 0.61 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3k0s n LEU 222 CO 0.29 0.78 0.91 0.58 -1.33 0.00 0.00 177.39 178.62 3k0s h VAL 223 N 3.13 0.91 0.00 4.08 2.07 -1.95 -1.10 116.25 123.39 3k0s h VAL 223 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3k0s h VAL 223 Cb 1.23 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3k0s h VAL 223 CO 0.15 0.03 0.00 1.23 0.02 0.00 0.00 177.57 179.00 3k0s h GLY 224 N 0.18 0.00 1.16 2.17 0.00 -2.02 0.12 103.07 104.69 3k0s h GLY 224 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3k0s h GLY 224 CO -0.14 0.00 -0.39 0.69 0.00 0.00 0.00 176.54 176.70 3k0s n PHE 225 N -2.71 0.00 -1.69 5.60 3.72 -0.43 -4.95 117.46 117.00 3k0s n PHE 225 Ca -0.01 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.33 3k0s n PHE 225 Cb 0.14 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 38.37 3k0s n PHE 225 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k0s n GLY 226 N 1.49 0.46 0.00 1.37 0.00 0.43 -4.21 105.19 104.73 3k0s n GLY 226 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3k0s n GLY 226 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k0s n VAL 227 N -3.46 0.11 -0.10 1.61 0.24 -1.22 -4.62 118.33 110.89 3k0s n VAL 227 Ca -0.07 -0.48 0.24 0.00 -2.04 0.00 0.00 64.34 61.98 3k0s n VAL 227 Cb 0.40 1.07 0.69 0.00 -1.47 0.00 0.00 33.84 34.53 3k0s n VAL 227 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3k0s h GLU 228 N 0.00 0.04 -0.49 7.34 4.57 -1.84 -0.43 114.58 123.77 3k0s h GLU 228 Ca 0.00 -0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 3k0s h GLU 228 Cb 0.14 -0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 28.57 3k0s h GLU 228 CO 0.00 0.02 0.06 0.09 -1.18 0.00 0.00 179.01 178.00 3k0s n ASN 229 N -4.34 2.81 -3.07 1.04 3.02 -1.26 -4.68 115.26 108.78 3k0s n ASN 229 Ca 0.14 -3.77 -0.27 0.00 -0.03 0.00 0.00 54.58 50.66 3k0s n ASN 229 Cb 0.77 -0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 39.21 3k0s n ASN 229 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k0s n ALA 230 N -1.12 4.49 -0.26 5.41 0.00 -0.17 -4.94 120.51 123.91 3k0s n ALA 230 Ca 0.39 -4.70 -0.00 0.00 0.00 0.00 0.00 53.44 49.13 3k0s n ALA 230 Cb 1.15 -0.78 0.12 0.00 0.00 0.00 0.00 19.45 19.95 3k0s n ALA 230 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k0s h PRO 231 N 3.28 0.76 -0.16 0.00 0.11 -1.83 0.21 132.00 134.37 3k0s h PRO 231 Ca 0.15 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.26 3k0s h PRO 231 Cb 0.55 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.44 3k0s h PRO 231 CO 0.82 0.50 -0.15 0.00 -0.21 0.00 0.00 178.00 178.96 3k0s h ARG 232 N 0.78 -0.16 -0.80 1.05 3.08 -1.92 -0.02 114.38 116.39 3k0s h ARG 232 Ca 0.34 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 3k0s h ARG 232 Cb 0.21 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 3k0s h ARG 232 CO -0.19 -0.11 0.46 0.78 -1.07 0.00 0.00 179.97 179.84 3k0s h GLY 233 N -0.17 1.17 1.27 0.04 0.00 -1.62 -2.65 103.07 101.11 3k0s h GLY 233 Ca 0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3k0s h GLY 233 CO -0.26 0.49 0.33 1.41 0.00 0.00 0.00 176.54 178.51 3k0s h LEU 234 N 1.10 0.86 -0.40 3.11 3.38 -0.05 0.29 115.31 123.60 3k0s h LEU 234 Ca 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3k0s h LEU 234 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3k0s h LEU 234 CO -0.05 0.72 0.20 0.00 0.09 0.00 0.00 178.44 179.40 3k0s h ALA 236 N 1.05 0.59 -0.90 0.00 0.00 -1.26 -2.54 119.26 116.19 3k0s h ALA 236 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3k0s h ALA 236 Cb 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3k0s h ALA 236 CO -0.02 0.25 0.50 0.00 0.00 0.00 0.00 179.25 179.98 3k0s h ALA 237 N 0.99 1.16 -0.90 0.00 0.00 -0.68 -0.03 119.26 119.80 3k0s h ALA 237 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3k0s h ALA 237 Cb 0.27 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3k0s h ALA 237 CO -0.00 0.66 0.51 0.78 0.00 0.00 0.00 179.25 181.20 3k0s h GLY 238 N 1.27 1.33 0.91 0.00 0.00 -0.48 0.60 103.07 106.70 3k0s h GLY 238 Ca 0.32 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 3k0s h GLY 238 CO -0.05 0.56 -0.26 0.00 0.00 0.00 0.00 176.54 176.80 3k0s h LEU 240 N 0.32 0.51 -0.73 0.00 6.46 -0.75 -1.86 115.31 119.26 3k0s h LEU 240 Ca 0.04 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.70 3k0s h LEU 240 Cb 0.82 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 3k0s h LEU 240 CO 0.06 0.36 -0.14 0.25 -0.62 0.00 0.00 178.44 178.35 3k0s h LEU 241 N 0.62 0.82 -0.72 2.25 5.85 -0.78 -0.93 115.31 122.42 3k0s h LEU 241 Ca 0.21 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 3k0s h LEU 241 Cb 0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3k0s h LEU 241 CO -0.09 0.97 0.13 1.56 -0.34 0.00 0.00 178.44 180.67 3k0s h GLN 242 N 0.74 1.10 -0.47 1.25 4.20 -1.21 -0.92 115.11 119.79 3k0s h GLN 242 Ca 0.12 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3k0s h GLN 242 Cb 0.64 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3k0s h GLN 242 CO 0.05 1.00 0.24 -0.92 -0.67 0.00 0.00 178.83 178.52 3k0s h TYR 243 N 1.04 0.66 -0.69 2.96 3.20 -0.99 -1.57 116.97 121.57 3k0s h TYR 243 Ca 0.21 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3k0s h TYR 243 Cb 0.42 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3k0s h TYR 243 CO 0.03 0.51 0.39 0.00 -1.64 0.00 0.00 178.16 177.46 3k0s h ALA 244 N 1.08 0.89 -0.43 1.82 0.00 -0.95 -0.86 119.26 120.82 3k0s h ALA 244 Ca 0.16 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3k0s h ALA 244 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3k0s h ALA 244 CO -0.02 0.39 -0.24 0.87 0.00 0.00 0.00 179.25 180.25 3k0s h LYS 245 N 0.95 0.88 0.00 0.00 1.57 -1.01 -2.43 116.57 116.52 3k0s h LYS 245 Ca 0.25 -0.37 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 3k0s h LYS 245 Cb 0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3k0s h LYS 245 CO -0.04 1.02 -0.72 0.22 -0.57 0.00 0.00 179.45 179.36 3k0s h ASP 246 N 0.76 0.00 0.36 0.86 3.58 -1.10 0.47 116.42 121.35 3k0s h ASP 246 Ca 0.10 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.32 3k0s h ASP 246 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.84 3k0s h ASP 246 CO 0.06 0.72 -0.97 0.71 -2.88 0.00 0.00 179.24 176.88 3k0s h THR 247 N 0.00 1.41 0.11 2.25 1.35 -1.07 -3.37 112.91 113.58 3k0s h THR 247 Ca -0.01 -2.50 -0.36 0.00 -0.55 0.00 0.00 66.41 62.99 3k0s h THR 247 Cb 1.28 2.47 -0.02 0.00 -1.73 0.00 0.00 68.15 70.14 3k0s h THR 247 CO 0.09 0.74 -2.03 0.00 -0.25 0.00 0.00 175.52 174.08 3k0s n GLN 248 N -3.73 0.74 -2.62 4.72 1.13 -0.92 -0.06 117.38 116.65 3k0s n GLN 248 Ca -0.07 0.26 -0.20 0.00 -1.94 0.00 0.00 57.00 55.06 3k0s n GLN 248 Cb 0.85 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.52 3k0s n GLN 248 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3k0s n ARG 249 N -3.50 -2.66 -4.23 -1.09 1.74 0.17 -4.67 116.66 102.41 3k0s n ARG 249 Ca -0.34 0.86 -0.15 0.00 -0.77 0.00 0.00 57.85 57.46 3k0s n ARG 249 Cb 1.03 -5.56 -0.09 0.00 -1.02 0.00 0.00 32.46 26.81 3k0s n ARG 249 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3k0s s THR 250 N -2.97 0.02 0.61 0.55 -4.23 -1.26 -5.02 115.64 103.34 3k0s s THR 250 Ca 0.10 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.43 3k0s s THR 250 Cb -0.05 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 3k0s s THR 250 CO 0.12 0.00 1.19 0.42 -0.54 0.00 0.00 174.62 175.81 3k0s s THR 251 N -3.89 2.71 -0.64 3.99 -4.23 -1.26 -4.95 115.64 107.36 3k0s s THR 251 Ca 0.39 0.42 0.06 0.00 -1.18 0.00 0.00 61.69 61.38 3k0s s THR 251 Cb 0.05 -3.12 0.22 0.00 1.34 0.00 0.00 72.50 71.00 3k0s s THR 251 CO 0.18 -0.12 0.62 0.18 -0.54 0.00 0.00 174.62 174.94 3k0s n LEU 252 N -1.76 3.07 0.15 4.79 4.77 -1.26 -4.76 117.00 122.00 3k0s n LEU 252 Ca 0.13 -5.26 0.13 0.00 -0.03 0.00 0.00 56.01 50.97 3k0s n LEU 252 Cb 0.50 -0.56 0.53 0.00 -2.33 0.00 0.00 43.42 41.57 3k0s n LEU 252 CO 0.45 1.94 0.87 1.55 -1.33 0.00 0.00 177.39 180.87 3k0s h PRO 253 N 4.67 0.00 0.00 3.23 0.13 -1.95 -2.06 132.00 136.02 3k0s h PRO 253 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3k0s h PRO 253 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3k0s h PRO 253 CO 0.75 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.13 3k0s n HIS 254 N -2.35 0.00 -3.34 1.56 1.44 -1.26 -4.45 115.22 106.82 3k0s n HIS 254 Ca 0.02 0.00 -0.47 0.00 -2.01 0.00 0.00 57.72 55.26 3k0s n HIS 254 Cb 0.22 -0.47 -0.03 0.00 0.12 0.00 0.00 29.99 29.84 3k0s n HIS 254 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3k0s s ILE 255 N -2.93 5.51 -0.08 0.61 1.01 -0.78 -4.38 121.20 120.16 3k0s s ILE 255 Ca 0.15 -2.37 0.03 0.00 0.00 0.00 0.00 60.65 58.45 3k0s s ILE 255 Cb 0.18 -4.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 3k0s s ILE 255 CO 0.48 -1.01 0.09 -2.11 0.00 0.00 0.00 174.94 172.39 3k0s n ARG 256 N 4.11 3.99 -4.00 2.79 1.85 -1.26 -4.75 116.66 119.39 3k0s n ARG 256 Ca 0.10 -0.01 -0.11 0.00 -1.00 0.00 0.00 57.85 56.84 3k0s n ARG 256 Cb 0.46 -0.78 -0.04 0.00 -1.05 0.00 0.00 32.46 31.05 3k0s n ARG 256 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3k0s s SER 257 N -1.62 0.23 0.03 2.89 1.04 -1.26 -4.76 113.70 110.26 3k0s s SER 257 Ca 0.00 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.31 3k0s s SER 257 Cb 0.02 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 3k0s s SER 257 CO 0.10 -1.27 -0.05 -0.51 0.98 0.00 0.00 173.24 172.49 3k0s s ILE 258 N -3.48 0.33 -0.03 -1.02 2.07 -1.26 -4.42 121.20 113.39 3k0s s ILE 258 Ca 0.24 -0.89 0.03 0.00 -1.41 0.00 0.00 60.65 58.62 3k0s s ILE 258 Cb -0.01 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.16 3k0s s ILE 258 CO 0.13 -0.37 -0.11 -0.89 -1.91 0.00 0.00 174.94 171.79 3k0s s THR 259 N -1.25 0.90 0.17 4.00 2.01 -0.68 -4.79 115.64 116.00 3k0s s THR 259 Ca -0.11 -0.44 -0.25 0.00 0.31 0.00 0.00 61.69 61.21 3k0s s THR 259 Cb -0.09 -0.79 -0.08 0.00 0.01 0.00 0.00 72.50 71.55 3k0s s THR 259 CO -0.00 0.27 0.77 -0.32 -0.69 0.00 0.00 174.62 174.65 3k0s s MET 260 N 0.10 4.54 -0.68 4.92 1.75 -1.26 -1.50 119.30 127.18 3k0s s MET 260 Ca -0.02 1.13 -0.14 0.00 -1.25 0.00 0.00 55.69 55.41 3k0s s MET 260 Cb -0.08 -3.24 0.17 0.00 2.84 0.00 0.00 34.83 34.52 3k0s s MET 260 CO 0.01 0.57 0.62 -1.21 -0.65 0.00 0.00 175.02 174.35 3k0s s GLU 261 N -1.19 3.24 0.47 4.11 2.02 -0.03 -4.92 118.70 122.39 3k0s s GLU 261 Ca 0.36 -2.11 -0.21 0.00 0.02 0.00 0.00 54.97 53.03 3k0s s GLU 261 Cb -0.23 -4.31 -0.09 0.00 0.10 0.00 0.00 34.13 29.60 3k0s s GLU 261 CO 0.26 -1.30 1.01 1.03 0.02 0.00 0.00 175.26 176.28 3k0s s ARG 262 N 0.82 3.95 0.44 1.61 0.52 -1.26 -4.67 118.95 120.36 3k0s s ARG 262 Ca 0.11 1.28 0.20 0.00 -0.52 0.00 0.00 55.73 56.80 3k0s s ARG 262 Cb -0.20 -2.12 1.01 0.00 0.52 0.00 0.00 34.95 34.16 3k0s s ARG 262 CO -0.03 -0.29 1.91 0.93 0.02 0.00 0.00 175.30 177.84 3k0s h GLU 263 N 1.68 0.00 0.00 3.54 5.08 -1.97 -2.66 114.58 120.25 3k0s h GLU 263 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3k0s h GLU 263 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3k0s h GLU 263 CO 0.60 0.26 0.00 -0.56 -1.00 0.00 0.00 179.01 178.30 3k0s h GLN 264 N 0.00 0.00 0.00 2.33 3.07 -1.96 -3.21 115.11 115.34 3k0s h GLN 264 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3k0s h GLN 264 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 3k0s h GLN 264 CO 0.03 0.00 0.00 -0.44 0.09 0.00 0.00 178.83 178.51 3k0s h ASP 265 N 0.00 0.00 -5.25 0.06 3.32 -1.87 -3.44 116.42 109.24 3k0s h ASP 265 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3k0s h ASP 265 Cb 0.76 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.19 3k0s h ASP 265 CO 0.00 0.00 -0.24 -0.94 -1.72 0.00 0.00 179.24 176.34 3k0s s SER 266 N -4.97 -0.03 -0.38 6.45 1.04 -1.21 -1.76 113.70 112.84 3k0s s SER 266 Ca 0.08 -0.86 -0.29 0.00 0.48 0.00 0.00 55.95 55.36 3k0s s SER 266 Cb 0.10 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.72 3k0s s SER 266 CO 0.57 -0.98 1.20 -0.63 0.98 0.00 0.00 173.24 174.38 3k0s s ILE 267 N -3.98 4.24 -0.09 -1.02 1.01 -0.57 -4.85 121.20 115.94 3k0s s ILE 267 Ca 0.19 1.35 -0.30 0.00 0.00 0.00 0.00 60.65 61.89 3k0s s ILE 267 Cb 0.02 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 3k0s s ILE 267 CO 0.03 -0.69 1.25 -0.63 0.00 0.00 0.00 174.94 174.89 3k0s s ILE 268 N 4.33 4.21 -0.15 2.92 1.01 -0.94 -4.61 121.20 127.98 3k0s s ILE 268 Ca 0.51 1.51 0.02 0.00 0.00 0.00 0.00 60.65 62.69 3k0s s ILE 268 Cb -0.12 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.39 3k0s s ILE 268 CO 0.25 -0.05 -0.20 -0.04 0.00 0.00 0.00 174.94 174.90 3k0s s MET 269 N 2.69 3.07 1.15 2.79 -1.94 -1.26 -1.27 119.30 124.53 3k0s s MET 269 Ca 0.56 -0.83 -0.18 0.00 -1.71 0.00 0.00 55.69 53.54 3k0s s MET 269 Cb -0.24 -2.49 0.26 0.00 2.01 0.00 0.00 34.83 34.37 3k0s s MET 269 CO 0.20 -0.03 1.12 0.16 -0.01 0.00 0.00 175.02 176.47 3k0s s ASP 270 N 0.86 1.35 0.12 3.03 1.47 -1.25 -4.82 116.67 117.43 3k0s s ASP 270 Ca -0.06 0.69 -0.26 0.00 1.18 0.00 0.00 52.55 54.10 3k0s s ASP 270 Cb -0.15 -0.99 -0.07 0.00 -0.34 0.00 0.00 42.92 41.37 3k0s s ASP 270 CO -0.02 -3.86 1.64 0.00 0.68 0.00 0.00 175.17 173.61 3k0s h ALA 271 N -2.40 -0.36 0.00 2.11 0.00 -1.88 -2.88 119.26 113.85 3k0s h ALA 271 Ca -0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3k0s h ALA 271 Cb 1.30 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 3k0s h ALA 271 CO 0.38 -0.76 -0.12 0.00 0.00 0.00 0.00 179.25 178.76 3k0s h ALA 272 N 0.40 1.68 -0.07 0.00 0.00 -1.93 -2.98 119.26 116.37 3k0s h ALA 272 Ca 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3k0s h ALA 272 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k0s h ALA 272 CO -0.18 0.15 -0.12 1.15 0.00 0.00 0.00 179.25 180.25 3k0s h THR 273 N 0.00 1.40 -0.88 0.00 2.02 -1.79 0.54 112.91 114.20 3k0s h THR 273 Ca -0.00 -1.40 0.06 0.00 0.77 0.00 0.00 66.41 65.84 3k0s h THR 273 Cb 0.23 2.16 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 3k0s h THR 273 CO 0.02 0.39 0.57 0.03 0.37 0.00 0.00 175.52 176.90 3k0s h ARG 274 N -0.27 0.97 -0.01 6.66 3.08 -1.39 -0.25 114.38 123.18 3k0s h ARG 274 Ca 0.00 -0.06 -0.26 0.00 0.07 0.00 0.00 59.98 59.73 3k0s h ARG 274 Cb 0.69 -0.22 0.02 0.00 0.08 0.00 0.00 29.97 30.54 3k0s h ARG 274 CO 0.03 0.64 -1.03 0.00 -1.07 0.00 0.00 179.97 178.54 3k0s h ARG 275 N 1.00 0.69 0.00 0.04 2.47 -1.50 -3.09 114.38 114.00 3k0s h ARG 275 Ca 0.37 -0.74 -0.10 0.00 -1.26 0.00 0.00 59.98 58.25 3k0s h ARG 275 Cb 0.18 0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 3k0s h ARG 275 CO -0.14 1.32 -0.49 -0.97 0.56 0.00 0.00 179.97 180.25 3k0s h ASN 276 N 0.39 0.00 0.32 7.04 -1.24 -0.35 -2.49 115.58 119.26 3k0s h ASN 276 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.88 3k0s h ASN 276 Cb 1.68 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.73 3k0s h ASN 276 CO 0.20 0.49 -0.14 0.18 -1.29 0.00 0.00 177.43 176.87 3k0s n LEU 277 N -3.75 0.63 -3.85 0.34 4.77 -0.15 -4.96 117.00 110.03 3k0s n LEU 277 Ca -0.01 -0.07 -0.38 0.00 -0.03 0.00 0.00 56.01 55.52 3k0s n LEU 277 Cb 0.54 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3k0s n LEU 277 CO 0.39 0.12 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.84 3k0s n GLU 278 N -0.86 -0.80 0.08 3.23 1.02 -0.94 -4.57 120.64 117.81 3k0s n GLU 278 Ca 0.14 0.31 -0.09 0.00 -0.02 0.00 0.00 57.16 57.50 3k0s n GLU 278 Cb 0.30 -3.40 -0.06 0.00 -0.02 0.00 0.00 31.44 28.25 3k0s n GLU 278 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3k0s h ILE 279 N -2.15 0.55 0.00 -3.67 2.04 -1.85 0.86 117.51 113.29 3k0s h ILE 279 Ca -0.68 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.20 3k0s h ILE 279 Cb 1.38 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3k0s h ILE 279 CO 0.49 0.15 0.00 0.35 0.00 0.00 0.00 178.15 179.14 3k0s n THR 280 N -4.97 0.00 -4.29 -0.27 -2.24 -1.26 -1.05 114.28 100.20 3k0s n THR 280 Ca -0.07 -0.40 -0.18 0.00 -2.27 0.00 0.00 64.05 61.13 3k0s n THR 280 Cb 0.24 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.36 3k0s n THR 280 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3k0s s GLN 281 N -0.64 0.72 0.83 -0.78 0.74 -1.26 -4.63 119.66 114.64 3k0s s GLN 281 Ca 0.00 -0.25 -0.09 0.00 0.05 0.00 0.00 55.36 55.08 3k0s s GLN 281 Cb 0.00 -0.70 0.15 0.00 1.10 0.00 0.00 33.01 33.57 3k0s s GLN 281 CO 0.00 0.11 1.15 0.54 -0.55 0.00 0.00 175.29 176.54 3k0s s ASN 282 N 0.08 3.83 0.00 6.67 2.20 0.32 -4.26 114.94 123.78 3k0s s ASN 282 Ca -0.01 0.03 0.16 0.00 -0.94 0.00 0.00 52.86 52.10 3k0s s ASN 282 Cb -0.06 -0.28 0.86 0.00 -2.00 0.00 0.00 41.25 39.77 3k0s s ASN 282 CO -0.00 -2.24 1.45 0.18 -2.94 0.00 0.00 177.10 173.56 3k0s n LEU 283 N -3.28 0.00 -0.51 3.54 4.77 -1.26 -1.46 117.00 118.79 3k0s n LEU 283 Ca 0.14 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.39 3k0s n LEU 283 Cb 0.60 -0.22 0.11 0.00 -2.33 0.00 0.00 43.42 41.59 3k0s n LEU 283 CO 0.45 -0.10 0.57 0.00 -1.33 0.00 0.00 177.39 176.98 3k0s n ALA 284 N -1.22 2.21 -0.52 -1.18 0.00 -1.26 -4.97 120.51 113.58 3k0s n ALA 284 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.51 3k0s n ALA 284 Cb 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3k0s n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k0s n GLY 285 N 0.39 0.75 3.98 0.00 0.00 -0.54 -5.06 105.19 104.72 3k0s n GLY 285 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3k0s n GLY 285 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k0s s GLY 286 N -1.73 1.76 0.00 -0.02 0.00 -1.26 -4.79 107.32 101.28 3k0s s GLY 286 Ca 0.00 -1.63 0.13 0.00 0.00 0.00 0.00 44.72 43.22 3k0s s GLY 286 CO 0.00 -1.05 0.59 0.00 0.00 0.00 0.00 173.10 172.63 3k0s n ALA 287 N -2.93 3.72 -1.78 3.20 0.00 -1.26 -0.52 120.51 120.93 3k0s n ALA 287 Ca 0.15 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 3k0s n ALA 287 Cb 0.60 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 3k0s n ALA 287 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3k0s s GLU 288 N -2.24 3.87 -1.45 0.00 1.03 -1.26 -3.86 118.70 114.79 3k0s s GLU 288 Ca 0.06 1.60 -0.11 0.00 0.03 0.00 0.00 54.97 56.55 3k0s s GLU 288 Cb 0.10 -2.36 0.04 0.00 -0.80 0.00 0.00 34.13 31.11 3k0s s GLU 288 CO 0.54 -0.41 1.00 0.09 -1.33 0.00 0.00 175.26 175.15 3k0s n ASN 289 N -0.49 -5.60 -4.94 0.83 3.02 -1.26 -4.56 115.26 102.26 3k0s n ASN 289 Ca 0.07 -0.60 -0.22 0.00 -0.03 0.00 0.00 54.58 53.80 3k0s n ASN 289 Cb 0.50 -4.45 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 3k0s n ASN 289 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k0s s THR 290 N -3.27 2.19 0.27 3.41 -4.23 -1.25 -4.86 115.64 107.90 3k0s s THR 290 Ca 0.58 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 3k0s s THR 290 Cb -0.27 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.19 3k0s s THR 290 CO 0.72 0.00 1.75 0.25 -0.54 0.00 0.00 174.62 176.79 3k0s h LEU 291 N 0.69 0.62 -0.70 4.79 5.85 -0.48 -2.83 115.31 123.26 3k0s h LEU 291 Ca -0.37 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.06 3k0s h LEU 291 Cb 1.29 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3k0s h LEU 291 CO 0.52 0.77 -0.23 0.00 -0.34 0.00 0.00 178.44 179.17 3k0s h ALA 292 N 1.29 0.88 0.00 1.25 0.00 -1.34 -2.01 119.26 119.34 3k0s h ALA 292 Ca 0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3k0s h ALA 292 Cb 0.55 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3k0s h ALA 292 CO 0.03 0.63 -0.01 0.66 0.00 0.00 0.00 179.25 180.56 3k0s h SER 293 N 0.66 0.00 0.03 0.00 4.64 -1.72 0.27 113.55 117.42 3k0s h SER 293 Ca 0.09 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.06 3k0s h SER 293 Cb 0.74 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.78 3k0s h SER 293 CO 0.06 0.01 -2.00 0.52 -0.87 0.00 0.00 176.83 174.55 3k0s n VAL 294 N -3.15 1.59 0.10 0.95 0.31 -1.06 -4.63 118.33 112.44 3k0s n VAL 294 Ca -0.02 -0.38 -0.16 0.00 -0.01 0.00 0.00 64.34 63.77 3k0s n VAL 294 Cb 0.16 -1.81 -0.14 0.00 -0.91 0.00 0.00 33.84 31.14 3k0s n VAL 294 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3k0s h LEU 295 N -0.54 0.43 -7.99 7.52 3.38 -1.13 -3.42 115.31 113.56 3k0s h LEU 295 Ca -0.50 -0.49 -0.64 0.00 0.09 0.00 0.00 57.88 56.33 3k0s h LEU 295 Cb 1.68 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 42.18 3k0s h LEU 295 CO -0.17 1.39 1.65 -0.62 0.09 0.00 0.00 178.44 180.78 3k0s s ASP 296 N -7.12 6.66 -0.36 -0.43 2.15 0.93 -4.65 116.67 113.85 3k0s s ASP 296 Ca -0.05 -1.93 0.06 0.00 0.43 0.00 0.00 52.55 51.05 3k0s s ASP 296 Cb 0.07 -2.54 0.48 0.00 -0.30 0.00 0.00 42.92 40.62 3k0s s ASP 296 CO 0.88 -1.30 1.46 0.00 -0.17 0.00 0.00 175.17 176.04 3k0s s THR 298 N -4.07 2.42 -0.20 0.00 -4.23 -1.26 -4.90 115.64 103.40 3k0s s THR 298 Ca 0.51 0.14 0.05 0.00 -1.18 0.00 0.00 61.69 61.20 3k0s s THR 298 Cb 0.43 -2.53 -0.06 0.00 1.34 0.00 0.00 72.50 71.68 3k0s s THR 298 CO 0.01 -0.18 0.19 1.33 -0.54 0.00 0.00 174.62 175.43 3k0s n VAL 299 N -4.11 0.00 -4.37 2.29 0.24 -1.26 -4.90 118.33 106.22 3k0s n VAL 299 Ca 0.06 -0.35 -0.30 0.00 -2.04 0.00 0.00 64.34 61.71 3k0s n VAL 299 Cb 0.55 0.93 -0.11 0.00 -1.47 0.00 0.00 33.84 33.74 3k0s n VAL 299 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3k0s s THR 300 N -1.56 3.29 0.23 3.34 -4.23 -1.26 -4.66 115.64 110.80 3k0s s THR 300 Ca 0.01 -1.15 -0.08 0.00 -1.18 0.00 0.00 61.69 59.29 3k0s s THR 300 Cb 0.04 -2.49 0.21 0.00 1.34 0.00 0.00 72.50 71.60 3k0s s THR 300 CO 0.20 0.22 1.90 -0.65 -0.54 0.00 0.00 174.62 175.74 3k0s h PRO 301 N 4.00 1.20 -0.06 3.99 0.11 -1.86 -1.32 132.00 138.06 3k0s h PRO 301 Ca -0.49 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.49 3k0s h PRO 301 Cb 1.16 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3k0s h PRO 301 CO 0.51 0.81 -0.16 0.00 -0.21 0.00 0.00 178.00 178.96 3k0s h MET 302 N 1.23 0.10 -0.15 1.05 -0.00 -1.83 -1.68 114.93 113.64 3k0s h MET 302 Ca 0.33 -0.02 -0.11 0.00 -0.00 0.00 0.00 59.70 59.89 3k0s h MET 302 Cb -0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.48 3k0s h MET 302 CO -0.07 0.26 -0.34 0.78 -0.00 0.00 0.00 176.91 177.54 3k0s h GLY 303 N 0.63 0.55 0.20 -3.00 0.00 -1.57 -1.78 103.07 98.10 3k0s h GLY 303 Ca 0.02 -0.67 0.13 0.00 0.00 0.00 0.00 47.33 46.81 3k0s h GLY 303 CO 0.02 0.60 0.32 0.23 0.00 0.00 0.00 176.54 177.71 3k0s h SER 304 N 0.13 0.32 0.08 0.19 0.87 -0.83 -0.15 113.55 114.16 3k0s h SER 304 Ca 0.00 0.10 -0.18 0.00 -1.23 0.00 0.00 61.79 60.48 3k0s h SER 304 Cb 0.94 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 3k0s h SER 304 CO 0.08 0.14 -0.67 0.03 -0.53 0.00 0.00 176.83 175.88 3k0s h ARG 305 N 0.48 0.55 -0.55 2.24 3.08 -1.22 -2.59 114.38 116.36 3k0s h ARG 305 Ca 0.41 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3k0s h ARG 305 Cb 0.59 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3k0s h ARG 305 CO -0.38 1.02 0.24 1.98 -1.07 0.00 0.00 179.97 181.77 3k0s h MET 306 N 0.39 0.81 -0.29 0.04 4.05 -0.76 -1.45 114.93 117.73 3k0s h MET 306 Ca -0.02 -0.13 0.02 0.00 -0.28 0.00 0.00 59.70 59.29 3k0s h MET 306 Cb 1.24 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.88 3k0s h MET 306 CO 0.12 0.68 0.15 1.25 0.23 0.00 0.00 176.91 179.35 3k0s h LEU 307 N 0.75 0.23 -0.98 3.39 5.85 -0.95 0.26 115.31 123.86 3k0s h LEU 307 Ca 0.19 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3k0s h LEU 307 Cb 0.16 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3k0s h LEU 307 CO -0.02 0.17 0.31 0.11 -0.34 0.00 0.00 178.44 178.67 3k0s h LYS 308 N 0.31 1.04 -0.67 1.25 1.57 -1.29 -0.73 116.57 118.06 3k0s h LYS 308 Ca 0.12 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3k0s h LYS 308 Cb 0.03 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3k0s h LYS 308 CO -0.07 0.83 0.20 0.00 -0.57 0.00 0.00 179.45 179.84 3k0s h ARG 309 N 1.03 1.04 -0.26 3.15 3.08 -0.61 -2.37 114.38 119.45 3k0s h ARG 309 Ca 0.24 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3k0s h ARG 309 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3k0s h ARG 309 CO -0.03 0.91 0.13 -1.49 -1.07 0.00 0.00 179.97 178.42 3k0s h TRP 310 N 0.97 0.24 -0.10 3.04 4.06 -0.25 -1.34 115.95 122.56 3k0s h TRP 310 Ca 0.21 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.15 3k0s h TRP 310 Cb 0.30 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 3k0s h TRP 310 CO 0.02 0.13 -0.07 -0.07 -3.56 0.00 0.00 178.44 174.89 3k0s h LEU 311 N 0.27 0.14 0.00 -4.49 3.38 -0.99 0.29 115.31 113.91 3k0s h LEU 311 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k0s h LEU 311 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k0s h LEU 311 CO -0.07 0.23 -0.40 1.41 0.09 0.00 0.00 178.44 179.70 3k0s n HIS 312 N -4.37 0.09 -3.23 1.13 8.25 -0.91 -4.49 115.22 111.69 3k0s n HIS 312 Ca -0.01 0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.23 3k0s n HIS 312 Cb 0.20 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 30.86 3k0s n HIS 312 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 3k0s n MET 313 N -1.59 0.54 -1.81 -0.41 0.00 0.07 -4.94 117.12 108.98 3k0s n MET 313 Ca 0.06 -3.14 -0.42 0.00 -0.00 0.00 0.00 57.70 54.20 3k0s n MET 313 Cb 0.35 -1.37 -0.02 0.00 0.00 0.00 0.00 33.22 32.18 3k0s n MET 313 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3k0s s PRO 314 N -0.68 4.14 0.19 2.12 0.02 -1.11 -4.72 135.00 134.96 3k0s s PRO 314 Ca 0.34 2.54 -0.09 0.00 0.02 0.00 0.00 61.00 63.81 3k0s s PRO 314 Cb 0.13 -3.05 -0.07 0.00 0.02 0.00 0.00 34.50 31.53 3k0s s PRO 314 CO -0.14 -0.62 0.50 0.14 -0.33 0.00 0.00 177.00 176.55 3k0s s VAL 315 N 0.21 4.98 -1.78 3.83 -7.23 0.01 -1.51 120.40 118.91 3k0s s VAL 315 Ca 0.65 0.43 0.17 0.00 -1.81 0.00 0.00 61.98 61.41 3k0s s VAL 315 Cb -0.47 -3.63 0.34 0.00 0.56 0.00 0.00 36.38 33.17 3k0s s VAL 315 CO 0.44 0.02 1.26 0.54 -0.31 0.00 0.00 175.10 177.06 3k0s n ARG 316 N 0.13 2.23 -2.44 4.82 1.74 -0.72 -4.69 116.66 117.72 3k0s n ARG 316 Ca -0.02 -2.03 -0.41 0.00 -0.77 0.00 0.00 57.85 54.63 3k0s n ARG 316 Cb 0.52 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 3k0s n ARG 316 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k0s s ASP 317 N -1.20 6.06 0.25 0.55 -1.08 -1.26 -4.91 116.67 115.08 3k0s s ASP 317 Ca 0.30 -0.10 -0.04 0.00 -0.52 0.00 0.00 52.55 52.19 3k0s s ASP 317 Cb 0.17 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.55 3k0s s ASP 317 CO 0.24 -1.84 1.71 0.74 0.52 0.00 0.00 175.17 176.54 3k0s h THR 318 N 6.25 0.60 -0.44 1.71 2.02 -1.99 -1.48 112.91 119.57 3k0s h THR 318 Ca -0.27 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3k0s h THR 318 Cb 1.08 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3k0s h THR 318 CO 1.24 0.07 0.24 -0.09 0.37 0.00 0.00 175.52 177.34 3k0s h ARG 319 N 0.37 0.62 -0.22 6.66 2.43 -1.99 0.18 114.38 122.43 3k0s h ARG 319 Ca 0.42 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.53 3k0s h ARG 319 Cb 0.67 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3k0s h ARG 319 CO -0.45 0.49 0.09 0.28 -1.51 0.00 0.00 179.97 178.87 3k0s h VAL 320 N 0.58 0.96 -0.15 0.20 2.07 -1.77 0.02 116.25 118.17 3k0s h VAL 320 Ca 0.15 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3k0s h VAL 320 Cb 0.06 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3k0s h VAL 320 CO -0.02 0.04 0.08 -0.07 0.02 0.00 0.00 177.57 177.61 3k0s h LEU 321 N 0.20 0.19 -0.57 2.57 3.38 -0.97 -0.72 115.31 119.39 3k0s h LEU 321 Ca 0.09 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3k0s h LEU 321 Cb 0.05 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3k0s h LEU 321 CO -0.08 0.24 0.28 -0.07 0.09 0.00 0.00 178.44 178.90 3k0s h LEU 322 N 0.12 0.40 -0.94 1.67 3.38 -0.46 0.73 115.31 120.21 3k0s h LEU 322 Ca 0.05 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3k0s h LEU 322 Cb 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3k0s h LEU 322 CO -0.01 0.27 0.61 -0.33 0.09 0.00 0.00 178.44 179.07 3k0s h GLU 323 N 0.54 1.25 -0.37 1.13 5.08 -0.62 0.30 114.58 121.90 3k0s h GLU 323 Ca 0.26 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 3k0s h GLU 323 Cb 0.18 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3k0s h GLU 323 CO -0.18 0.84 -0.27 0.00 -1.00 0.00 0.00 179.01 178.40 3k0s h ARG 324 N 1.28 0.83 -0.65 2.33 3.08 -0.43 -1.46 114.38 119.36 3k0s h ARG 324 Ca 0.34 -0.40 0.07 0.00 0.07 0.00 0.00 59.98 60.07 3k0s h ARG 324 Cb -0.13 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.86 3k0s h ARG 324 CO -0.07 1.04 0.33 1.96 -1.07 0.00 0.00 179.97 182.16 3k0s h GLN 325 N 0.63 0.58 -0.42 0.04 4.20 -0.51 -0.98 115.11 118.65 3k0s h GLN 325 Ca 0.07 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3k0s h GLN 325 Cb 0.84 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 3k0s h GLN 325 CO 0.07 0.39 0.08 1.96 -0.67 0.00 0.00 178.83 180.66 3k0s h GLN 326 N 0.60 0.69 -0.83 1.46 4.20 -0.78 -2.12 115.11 118.34 3k0s h GLN 326 Ca 0.31 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.88 3k0s h GLN 326 Cb 0.26 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 3k0s h GLN 326 CO -0.22 0.72 0.52 1.15 -0.67 0.00 0.00 178.83 180.33 3k0s h THR 327 N 0.55 1.09 -0.49 -0.54 2.02 -0.86 -1.08 112.91 113.60 3k0s h THR 327 Ca 0.13 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 3k0s h THR 327 Cb 0.35 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3k0s h THR 327 CO 0.01 0.18 0.05 0.40 0.37 0.00 0.00 175.52 176.53 3k0s h ILE 328 N 0.99 1.25 -0.09 3.11 2.04 -0.82 -1.70 117.51 122.29 3k0s h ILE 328 Ca 0.34 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3k0s h ILE 328 Cb 0.07 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3k0s h ILE 328 CO -0.14 0.34 0.02 1.23 0.00 0.00 0.00 178.15 179.60 3k0s h GLY 329 N 0.70 0.10 2.00 5.37 0.00 -1.01 -2.98 103.07 107.25 3k0s h GLY 329 Ca 0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 3k0s h GLY 329 CO 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.17 3k0s h ALA 330 N 1.07 1.34 -0.01 3.60 0.00 -0.98 -3.08 119.26 121.20 3k0s h ALA 330 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3k0s h ALA 330 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3k0s h ALA 330 CO -0.06 0.48 -0.44 1.28 0.00 0.00 0.00 179.25 180.52 3k0s n LEU 331 N -4.05 1.03 -0.32 0.00 4.77 -0.66 -4.51 117.00 113.27 3k0s n LEU 331 Ca -0.02 -0.29 0.10 0.00 -0.03 0.00 0.00 56.01 55.77 3k0s n LEU 331 Cb 0.42 -0.13 0.31 0.00 -2.33 0.00 0.00 43.42 41.69 3k0s n LEU 331 CO 0.39 0.21 1.23 -0.61 -1.33 0.00 0.00 177.39 177.27 3k0s h GLN 332 N 0.93 0.82 -0.01 3.23 4.15 -1.43 0.24 115.11 123.04 3k0s h GLN 332 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3k0s h GLN 332 Cb 0.54 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3k0s h GLN 332 CO 0.00 0.54 -0.07 -0.25 -1.93 0.00 0.00 178.83 177.12 3k0s n ASP 333 N -4.60 0.70 -0.00 -0.69 8.00 -1.26 -3.65 116.55 115.05 3k0s n ASP 333 Ca 0.18 -0.95 0.09 0.00 0.71 0.00 0.00 54.79 54.83 3k0s n ASP 333 Cb 0.41 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.38 3k0s n ASP 333 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3k0s n PHE 334 N -0.63 0.00 -0.23 1.24 3.01 0.79 -4.68 117.46 116.96 3k0s n PHE 334 Ca 0.18 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.67 3k0s n PHE 334 Cb 0.27 -0.07 0.28 0.00 -0.01 0.00 0.00 39.48 39.94 3k0s n PHE 334 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3k0s h THR 335 N 0.00 1.10 -0.78 4.37 1.35 -1.52 -2.43 112.91 115.00 3k0s h THR 335 Ca 0.00 -0.32 -0.04 0.00 -0.55 0.00 0.00 66.41 65.50 3k0s h THR 335 Cb 0.52 0.08 -0.04 0.00 -1.73 0.00 0.00 68.15 66.99 3k0s h THR 335 CO 0.00 0.17 0.34 0.00 -0.25 0.00 0.00 175.52 175.78 3k0s h ALA 336 N 1.55 1.14 0.01 6.62 0.00 -1.87 -2.67 119.26 124.04 3k0s h ALA 336 Ca 0.32 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 3k0s h ALA 336 Cb 0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3k0s h ALA 336 CO -0.10 0.63 -1.30 0.78 0.00 0.00 0.00 179.25 179.27 3k0s h GLY 337 N 1.14 0.02 1.71 0.00 0.00 -1.79 -3.37 103.07 100.79 3k0s h GLY 337 Ca 0.26 -0.04 -0.23 0.00 0.00 0.00 0.00 47.33 47.33 3k0s h GLY 337 CO -0.03 0.04 -1.01 1.41 0.00 0.00 0.00 176.54 176.95 3k0s h LEU 338 N 0.00 0.33 -0.48 3.11 3.38 -1.40 -3.38 115.31 116.87 3k0s h LEU 338 Ca -0.13 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 3k0s h LEU 338 Cb 1.88 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 3k0s h LEU 338 CO 0.11 1.15 -0.09 1.56 0.09 0.00 0.00 178.44 181.26 3k0s h GLN 339 N 0.11 0.91 -0.29 1.13 4.20 -1.63 -0.42 115.11 119.12 3k0s h GLN 339 Ca -0.07 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.26 3k0s h GLN 339 Cb 1.68 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.39 3k0s h GLN 339 CO 0.16 0.99 0.03 -1.35 -0.67 0.00 0.00 178.83 177.99 3k0s h PRO 340 N 0.76 0.43 0.08 1.46 0.11 -1.76 -0.61 132.00 132.47 3k0s h PRO 340 Ca 0.12 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3k0s h PRO 340 Cb 0.64 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3k0s h PRO 340 CO 0.04 0.43 -0.04 0.28 -0.21 0.00 0.00 178.00 178.51 3k0s h VAL 341 N 0.42 1.13 -0.95 3.15 2.07 -1.64 -3.20 116.25 117.24 3k0s h VAL 341 Ca 0.10 -1.41 0.23 0.00 0.82 0.00 0.00 66.70 66.44 3k0s h VAL 341 Cb 0.23 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 3k0s h VAL 341 CO 0.00 0.31 0.63 -0.07 0.02 0.00 0.00 177.57 178.47 3k0s h LEU 342 N -0.82 0.35 -1.06 2.57 3.38 -1.03 0.21 115.31 118.91 3k0s h LEU 342 Ca -0.01 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3k0s h LEU 342 Cb 0.60 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 3k0s h LEU 342 CO 0.02 0.12 0.63 -0.09 0.09 0.00 0.00 178.44 179.20 3k0s h ARG 343 N 0.34 1.05 0.00 1.13 9.65 -1.10 -1.83 114.38 123.62 3k0s h ARG 343 Ca 0.50 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.32 3k0s h ARG 343 Cb 1.37 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 3k0s h ARG 343 CO -0.18 0.70 0.00 1.96 2.80 0.00 0.00 179.97 185.25 3k0s h GLN 344 N 1.09 0.00 -0.28 0.20 1.08 -0.58 -2.68 115.11 113.94 3k0s h GLN 344 Ca 0.43 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.50 3k0s h GLN 344 Cb 0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3k0s h GLN 344 CO -0.18 0.00 -0.39 0.28 -0.95 0.00 0.00 178.83 177.59 3k0s h VAL 345 N 0.00 1.29 0.00 -0.54 2.07 -1.23 -3.39 116.25 114.45 3k0s h VAL 345 Ca 0.00 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.96 3k0s h VAL 345 Cb 0.56 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3k0s h VAL 345 CO 0.00 0.50 0.00 0.61 0.02 0.00 0.00 177.57 178.70 3k0s n GLY 346 N -0.00 1.80 2.59 2.17 0.00 -1.01 -3.98 105.19 106.76 3k0s n GLY 346 Ca -0.02 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3k0s n GLY 346 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k0s n ASP 347 N -1.05 7.57 -0.27 1.61 -0.08 -1.26 -4.57 116.55 118.50 3k0s n ASP 347 Ca 0.00 -3.41 0.17 0.00 -1.51 0.00 0.00 54.79 50.05 3k0s n ASP 347 Cb 0.00 -1.27 0.46 0.00 2.34 0.00 0.00 41.12 42.65 3k0s n ASP 347 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3k0s h LEU 348 N 5.02 0.51 0.13 -2.67 5.85 -1.96 -2.55 115.31 119.64 3k0s h LEU 348 Ca 0.60 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.37 3k0s h LEU 348 Cb 0.33 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3k0s h LEU 348 CO 1.34 0.20 -0.13 -0.08 -0.34 0.00 0.00 178.44 179.43 3k0s h GLU 349 N 0.51 -0.28 -0.02 1.25 4.81 -1.88 -1.69 114.58 117.27 3k0s h GLU 349 Ca 0.49 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.61 3k0s h GLU 349 Cb 1.08 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3k0s h GLU 349 CO -0.22 -0.19 -0.60 0.00 -0.73 0.00 0.00 179.01 177.27 3k0s h ARG 350 N -0.29 0.08 -0.99 1.92 3.08 -1.66 -2.76 114.38 113.76 3k0s h ARG 350 Ca 0.00 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.01 3k0s h ARG 350 Cb 0.28 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 3k0s h ARG 350 CO -0.04 0.66 0.65 0.82 -1.07 0.00 0.00 179.97 180.99 3k0s h ILE 351 N 0.06 1.24 0.00 2.04 2.04 -1.33 -1.55 117.51 120.01 3k0s h ILE 351 Ca -0.01 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 3k0s h ILE 351 Cb 1.07 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3k0s h ILE 351 CO 0.08 0.24 -0.22 -0.07 0.00 0.00 0.00 178.15 178.18 3k0s h LEU 352 N 1.32 0.00 -0.10 1.44 3.38 -1.03 -1.16 115.31 119.16 3k0s h LEU 352 Ca 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 3k0s h LEU 352 Cb -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3k0s h LEU 352 CO -0.09 0.22 -0.01 0.00 0.09 0.00 0.00 178.44 178.66 3k0s h ALA 353 N 1.78 0.13 0.00 1.53 0.00 -1.07 -0.46 119.26 121.17 3k0s h ALA 353 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3k0s h ALA 353 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3k0s h ALA 353 CO 0.03 -0.16 -0.22 0.00 0.00 0.00 0.00 179.25 178.90 3k0s h ARG 354 N -0.11 0.00 0.09 0.00 3.08 -1.10 0.11 114.38 116.45 3k0s h ARG 354 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3k0s h ARG 354 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3k0s h ARG 354 CO 0.01 0.22 -0.05 1.25 -1.07 0.00 0.00 179.97 180.33 3k0s h LEU 355 N 0.00 -0.11 -0.98 3.04 5.85 -0.81 0.54 115.31 122.85 3k0s h LEU 355 Ca -0.00 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3k0s h LEU 355 Cb 0.42 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3k0s h LEU 355 CO 0.03 0.10 0.46 0.00 -0.34 0.00 0.00 178.44 178.69 3k0s h ALA 356 N 0.57 1.22 0.00 1.25 0.00 -0.47 -1.06 119.26 120.78 3k0s h ALA 356 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3k0s h ALA 356 Cb 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3k0s h ALA 356 CO 0.02 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.18 3k0s n LEU 357 N -4.34 0.00 -2.93 0.00 4.77 0.34 -4.58 117.00 110.27 3k0s n LEU 357 Ca 0.09 0.24 -0.21 0.00 -0.03 0.00 0.00 56.01 56.10 3k0s n LEU 357 Cb 0.10 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3k0s n LEU 357 CO 0.39 -0.02 -0.07 0.54 -1.33 0.00 0.00 177.39 176.89 3k0s n ARG 358 N -1.24 -3.63 -0.07 3.23 1.74 -0.36 -4.86 116.66 111.47 3k0s n ARG 358 Ca 0.14 0.76 0.05 0.00 -0.77 0.00 0.00 57.85 58.03 3k0s n ARG 358 Cb 0.20 -5.52 0.08 0.00 -1.02 0.00 0.00 32.46 26.20 3k0s n ARG 358 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3k0s n THR 359 N -4.12 0.46 -1.79 0.55 -2.24 0.04 -5.02 114.28 102.16 3k0s n THR 359 Ca -0.11 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 3k0s n THR 359 Cb 0.61 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 3k0s n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k0s s ALA 360 N -0.87 3.78 0.40 6.98 0.00 -0.75 -4.97 121.76 126.33 3k0s s ALA 360 Ca 0.15 1.55 0.03 0.00 0.00 0.00 0.00 51.96 53.68 3k0s s ALA 360 Cb 0.09 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 3k0s s ALA 360 CO 0.12 -0.94 0.58 1.03 0.00 0.00 0.00 175.76 176.55 3k0s s ARG 361 N -0.04 3.12 0.26 0.00 0.52 -1.26 -4.93 118.95 116.61 3k0s s ARG 361 Ca 0.66 -0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 55.17 3k0s s ARG 361 Cb -0.48 -2.67 0.52 0.00 0.52 0.00 0.00 34.95 32.85 3k0s s ARG 361 CO 0.43 -0.10 1.71 -1.35 0.02 0.00 0.00 175.30 176.01 3k0s h PRO 362 N 0.62 0.37 0.00 3.54 0.11 -1.80 0.39 132.00 135.23 3k0s h PRO 362 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3k0s h PRO 362 Cb 1.25 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3k0s h PRO 362 CO 0.56 0.25 -0.17 0.00 -0.21 0.00 0.00 178.00 178.43 3k0s h ARG 363 N 0.38 0.00 0.17 1.05 3.08 -1.81 -0.13 114.38 117.11 3k0s h ARG 363 Ca 0.45 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.49 3k0s h ARG 363 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3k0s h ARG 363 CO -0.47 0.17 -0.08 -0.44 -1.07 0.00 0.00 179.97 178.08 3k0s h ASP 364 N 0.00 -0.19 -0.57 7.04 3.32 -0.61 0.29 116.42 125.71 3k0s h ASP 364 Ca -0.00 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3k0s h ASP 364 Cb 0.48 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3k0s h ASP 364 CO 0.02 -0.05 0.16 -0.07 -1.72 0.00 0.00 179.24 177.59 3k0s h LEU 365 N -0.31 0.87 -0.24 1.55 3.38 -1.25 0.11 115.31 119.42 3k0s h LEU 365 Ca -0.02 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3k0s h LEU 365 Cb 0.25 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3k0s h LEU 365 CO 0.04 0.84 0.04 0.00 0.09 0.00 0.00 178.44 179.44 3k0s h ALA 366 N 1.28 0.24 0.00 1.53 0.00 -0.67 0.28 119.26 121.91 3k0s h ALA 366 Ca 0.20 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3k0s h ALA 366 Cb 0.30 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3k0s h ALA 366 CO -0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 179.25 178.43 3k0s h ARG 367 N 0.13 0.00 -0.21 0.00 3.08 -0.13 -1.20 114.38 116.05 3k0s h ARG 367 Ca 0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3k0s h ARG 367 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3k0s h ARG 367 CO -0.15 0.43 0.03 1.98 -1.07 0.00 0.00 179.97 181.19 3k0s h MET 368 N 0.00 0.35 -0.38 0.04 4.05 0.20 -1.67 114.93 117.51 3k0s h MET 368 Ca -0.00 -0.09 0.08 0.00 -0.28 0.00 0.00 59.70 59.40 3k0s h MET 368 Cb 0.78 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.46 3k0s h MET 368 CO 0.06 0.50 -0.10 -0.09 0.23 0.00 0.00 176.91 177.50 3k0s h ARG 369 N 0.15 -0.01 -0.55 0.39 2.43 0.02 -1.36 114.38 115.45 3k0s h ARG 369 Ca 0.06 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3k0s h ARG 369 Cb 0.32 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3k0s h ARG 369 CO 0.00 -0.00 0.37 1.25 -1.51 0.00 0.00 179.97 180.08 3k0s h HIS 370 N -0.01 0.68 -0.30 2.20 2.76 -1.02 -1.39 115.15 118.07 3k0s h HIS 370 Ca 0.18 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.28 3k0s h HIS 370 Cb 0.28 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3k0s h HIS 370 CO -0.35 0.43 -0.16 0.00 -1.30 0.00 0.00 177.93 176.55 3k0s h ALA 371 N 1.66 0.42 -0.44 5.26 0.00 -0.60 -2.56 119.26 123.01 3k0s h ALA 371 Ca 0.21 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3k0s h ALA 371 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3k0s h ALA 371 CO -0.05 0.33 0.30 0.74 0.00 0.00 0.00 179.25 180.57 3k0s h PHE 372 N 0.39 0.26 0.00 0.00 0.04 -0.32 -0.22 116.94 117.09 3k0s h PHE 372 Ca 0.07 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3k0s h PHE 372 Cb 0.69 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.75 3k0s h PHE 372 CO 0.06 0.13 0.00 1.04 -0.60 0.00 0.00 178.31 178.94 3k0s n GLN 373 N -4.46 0.17 0.04 1.51 6.02 -0.62 -2.41 117.38 117.63 3k0s n GLN 373 Ca 0.06 0.07 0.07 0.00 -0.01 0.00 0.00 57.00 57.19 3k0s n GLN 373 Cb 0.33 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.01 3k0s n GLN 373 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3k0s n GLN 374 N -1.40 0.63 0.03 -1.09 1.13 -0.10 -4.62 117.38 111.96 3k0s n GLN 374 Ca 0.09 0.06 -0.10 0.00 -1.94 0.00 0.00 57.00 55.10 3k0s n GLN 374 Cb 0.24 -1.72 -0.04 0.00 0.11 0.00 0.00 30.24 28.83 3k0s n GLN 374 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3k0s h LEU 375 N 0.00 -0.30 -0.33 1.08 3.38 -1.42 -1.15 115.31 116.56 3k0s h LEU 375 Ca -0.08 0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3k0s h LEU 375 Cb 1.24 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 3k0s h LEU 375 CO 0.01 -0.14 0.13 -0.65 0.09 0.00 0.00 178.44 177.88 3k0s h PRO 376 N -0.15 0.28 -0.39 1.13 0.11 -1.82 0.55 132.00 131.71 3k0s h PRO 376 Ca 0.06 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.22 3k0s h PRO 376 Cb 0.22 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.21 3k0s h PRO 376 CO -0.14 0.18 -0.02 1.49 -0.21 0.00 0.00 178.00 179.30 3k0s h GLU 377 N 0.28 0.08 -0.51 1.05 4.57 -1.78 0.25 114.58 118.53 3k0s h GLU 377 Ca 0.15 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3k0s h GLU 377 Cb 0.10 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 3k0s h GLU 377 CO -0.14 0.05 0.33 -0.07 -1.18 0.00 0.00 179.01 178.01 3k0s h LEU 378 N 0.08 0.58 -0.92 1.64 3.38 -0.62 -1.26 115.31 118.19 3k0s h LEU 378 Ca 0.19 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.23 3k0s h LEU 378 Cb 0.27 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 3k0s h LEU 378 CO -0.33 0.42 0.57 0.03 0.09 0.00 0.00 178.44 179.22 3k0s h ARG 379 N 0.68 0.96 -0.24 1.13 3.08 0.91 -1.84 114.38 119.06 3k0s h ARG 379 Ca 0.19 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3k0s h ARG 379 Cb -0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 3k0s h ARG 379 CO -0.05 0.63 -0.04 0.00 -1.07 0.00 0.00 179.97 179.45 3k0s h ALA 380 N 1.46 0.33 -0.13 0.04 0.00 0.17 -2.36 119.26 118.77 3k0s h ALA 380 Ca 0.42 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3k0s h ALA 380 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3k0s h ALA 380 CO -0.21 0.10 -0.20 1.96 0.00 0.00 0.00 179.25 180.90 3k0s h GLN 381 N 0.20 0.21 0.00 0.00 4.20 -0.99 -3.07 115.11 115.67 3k0s h GLN 381 Ca 0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k0s h GLN 381 Cb 0.48 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3k0s h GLN 381 CO 0.02 0.41 -0.51 1.28 -0.67 0.00 0.00 178.83 179.36 3k0s n LEU 382 N -4.22 0.59 -0.23 1.46 4.77 -0.71 -3.86 117.00 114.79 3k0s n LEU 382 Ca -0.01 0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 3k0s n LEU 382 Cb 0.31 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3k0s n LEU 382 CO 0.39 -0.00 0.90 1.05 -1.33 0.00 0.00 177.39 178.39 3k0s h GLU 383 N 0.00 1.07 -0.57 3.23 4.11 -1.32 -3.01 114.58 118.09 3k0s h GLU 383 Ca 0.00 -0.28 -0.05 0.00 0.07 0.00 0.00 59.36 59.10 3k0s h GLU 383 Cb 0.65 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3k0s h GLU 383 CO 0.00 0.98 0.15 1.79 0.07 0.00 0.00 179.01 182.01 3k0s h THR 384 N 0.99 1.23 -2.51 -1.06 1.35 -1.72 -3.43 112.91 107.75 3k0s h THR 384 Ca 0.20 -0.81 -0.54 0.00 -0.55 0.00 0.00 66.41 64.71 3k0s h THR 384 Cb 0.42 0.63 0.01 0.00 -1.73 0.00 0.00 68.15 67.48 3k0s h THR 384 CO 0.01 0.31 1.14 -0.69 -0.25 0.00 0.00 175.52 176.04 3k0s s VAL 385 N -5.25 3.22 -0.70 6.82 1.01 -1.14 -4.93 120.40 119.43 3k0s s VAL 385 Ca -0.10 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 3k0s s VAL 385 Cb 0.16 -3.23 0.10 0.00 0.00 0.00 0.00 36.38 33.40 3k0s s VAL 385 CO 0.80 -0.03 0.92 -1.81 0.00 0.00 0.00 175.10 174.99 3k0s s ASP 386 N 3.68 6.28 -0.28 3.32 1.11 -1.26 -4.80 116.67 124.72 3k0s s ASP 386 Ca 0.80 -1.37 -0.25 0.00 0.18 0.00 0.00 52.55 51.91 3k0s s ASP 386 Cb -0.39 -2.38 0.15 0.00 1.07 0.00 0.00 42.92 41.38 3k0s s ASP 386 CO 0.35 -1.26 1.22 -0.94 1.18 0.00 0.00 175.17 175.73 3k0s s SER 387 N 3.63 -0.26 0.12 0.27 1.04 -1.26 -4.93 113.70 112.30 3k0s s SER 387 Ca 0.21 0.50 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 3k0s s SER 387 Cb -0.16 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 3k0s s SER 387 CO 0.04 -0.10 1.66 0.00 0.98 0.00 0.00 173.24 175.83 3k0s h ALA 388 N 3.61 0.43 -0.92 5.32 0.00 -1.99 -2.93 119.26 122.78 3k0s h ALA 388 Ca -0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3k0s h ALA 388 Cb 1.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3k0s h ALA 388 CO 0.15 0.04 0.57 -1.35 0.00 0.00 0.00 179.25 178.65 3k0s h PRO 389 N 0.39 1.24 -0.34 0.00 0.11 -1.98 0.15 132.00 131.58 3k0s h PRO 389 Ca 0.11 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 3k0s h PRO 389 Cb 0.19 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3k0s h PRO 389 CO -0.01 0.86 -0.08 -0.24 -0.21 0.00 0.00 178.00 178.32 3k0s h VAL 390 N 1.27 1.23 -0.10 3.15 3.04 -1.92 -0.46 116.25 122.47 3k0s h VAL 390 Ca 0.33 -0.97 -0.13 0.00 -1.01 0.00 0.00 66.70 64.91 3k0s h VAL 390 Cb -0.07 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 3k0s h VAL 390 CO -0.06 0.33 -0.53 1.56 -1.01 0.00 0.00 177.57 177.85 3k0s h GLN 391 N 0.52 0.28 -0.10 4.17 1.08 -1.09 -0.13 115.11 119.84 3k0s h GLN 391 Ca 0.10 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3k0s h GLN 391 Cb 0.46 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 3k0s h GLN 391 CO 0.02 0.74 0.07 0.00 -0.95 0.00 0.00 178.83 178.71 3k0s h ALA 392 N 1.22 0.13 -0.49 3.87 0.00 0.12 -1.52 119.26 122.60 3k0s h ALA 392 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3k0s h ALA 392 Cb 1.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3k0s h ALA 392 CO 0.08 -0.38 0.08 -0.07 0.00 0.00 0.00 179.25 178.96 3k0s h LEU 393 N 0.14 0.71 -0.39 0.00 3.38 -0.83 -1.64 115.31 116.68 3k0s h LEU 393 Ca 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3k0s h LEU 393 Cb -0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3k0s h LEU 393 CO -0.01 0.73 0.23 -0.09 0.09 0.00 0.00 178.44 179.39 3k0s h ARG 394 N 0.73 0.53 -0.46 1.13 2.43 -0.78 0.31 114.38 118.28 3k0s h ARG 394 Ca 0.16 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3k0s h ARG 394 Cb 0.33 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3k0s h ARG 394 CO 0.00 0.41 0.21 1.49 -1.51 0.00 0.00 179.97 180.57 3k0s h GLU 395 N 0.51 0.67 -0.42 0.20 4.57 -1.04 -3.07 114.58 116.00 3k0s h GLU 395 Ca 0.14 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 58.12 3k0s h GLU 395 Cb 0.02 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 3k0s h GLU 395 CO -0.03 0.58 -0.13 -0.22 -1.18 0.00 0.00 179.01 178.03 3k0s h LYS 396 N 0.60 0.77 -0.76 1.92 3.64 -0.93 -1.34 116.57 120.47 3k0s h LYS 396 Ca 0.16 -0.26 0.16 0.00 -1.27 0.00 0.00 60.65 59.43 3k0s h LYS 396 Cb 0.14 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3k0s h LYS 396 CO -0.02 0.86 0.51 1.98 -2.27 0.00 0.00 179.45 180.52 3k0s h MET 397 N 0.69 0.35 0.00 1.90 4.05 -0.30 -3.27 114.93 118.35 3k0s h MET 397 Ca 0.11 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 3k0s h MET 397 Cb 0.62 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 3k0s h MET 397 CO 0.04 0.23 0.00 0.41 0.23 0.00 0.00 176.91 177.82 3k0s n GLY 398 N -1.54 -0.79 3.37 1.39 0.00 -0.51 -4.67 105.19 102.45 3k0s n GLY 398 Ca 0.15 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 3k0s n GLY 398 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k0s s GLU 399 N 0.00 0.98 -0.21 1.61 2.12 -1.26 -4.91 118.70 117.03 3k0s s GLU 399 Ca 0.00 -0.23 0.21 0.00 0.36 0.00 0.00 54.97 55.31 3k0s s GLU 399 Cb 0.00 0.44 0.46 0.00 0.26 0.00 0.00 34.13 35.30 3k0s s GLU 399 CO 0.00 -0.34 1.17 1.19 -0.54 0.00 0.00 175.26 176.74 3k0s n PHE 400 N 0.53 0.54 -0.32 5.30 3.01 -1.26 -4.92 117.46 120.34 3k0s n PHE 400 Ca -0.19 -1.68 0.10 0.00 1.01 0.00 0.00 57.45 56.69 3k0s n PHE 400 Cb 0.60 0.04 0.21 0.00 -0.01 0.00 0.00 39.48 40.31 3k0s n PHE 400 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k0s n ALA 401 N -0.47 0.36 -0.06 4.37 0.00 -1.26 0.11 120.51 123.55 3k0s n ALA 401 Ca 0.02 0.97 -0.08 0.00 0.00 0.00 0.00 53.44 54.36 3k0s n ALA 401 Cb 0.88 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 3k0s n ALA 401 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3k0s h GLU 402 N 0.00 0.13 -0.39 0.00 4.81 -1.99 0.44 114.58 117.58 3k0s h GLU 402 Ca 0.50 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.59 3k0s h GLU 402 Cb 0.94 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3k0s h GLU 402 CO -0.87 0.08 -0.29 -0.07 -0.73 0.00 0.00 179.01 177.13 3k0s h LEU 403 N 0.13 0.87 -0.50 1.64 3.38 0.32 -1.73 115.31 119.43 3k0s h LEU 403 Ca 0.12 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.82 3k0s h LEU 403 Cb 0.13 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3k0s h LEU 403 CO -0.17 1.10 0.13 -0.09 0.09 0.00 0.00 178.44 179.50 3k0s h ARG 404 N 0.71 0.27 -0.65 1.13 2.43 0.24 -1.92 114.38 116.59 3k0s h ARG 404 Ca 0.08 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3k0s h ARG 404 Cb 0.84 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3k0s h ARG 404 CO 0.07 0.18 0.23 0.22 -1.51 0.00 0.00 179.97 179.16 3k0s h ASP 405 N 0.27 0.92 -0.29 -3.80 3.58 0.20 -1.24 116.42 116.07 3k0s h ASP 405 Ca 0.25 -0.19 0.05 0.00 0.42 0.00 0.00 57.03 57.56 3k0s h ASP 405 Cb 0.31 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.08 3k0s h ASP 405 CO -0.30 0.86 0.01 0.25 -2.88 0.00 0.00 179.24 177.18 3k0s h LEU 406 N 0.92 -0.09 -1.14 2.28 5.85 -0.99 -1.27 115.31 120.88 3k0s h LEU 406 Ca 0.21 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 3k0s h LEU 406 Cb 0.25 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3k0s h LEU 406 CO -0.01 -0.01 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.76 3k0s h LEU 407 N 0.10 0.00 -0.35 2.25 3.38 -1.09 -0.49 115.31 119.12 3k0s h LEU 407 Ca 0.14 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 3k0s h LEU 407 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3k0s h LEU 407 CO -0.22 0.25 -0.80 -0.33 0.09 0.00 0.00 178.44 177.43 3k0s h GLU 408 N 0.00 0.34 0.00 1.13 5.08 -0.70 -3.00 114.58 117.43 3k0s h GLU 408 Ca -0.00 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 3k0s h GLU 408 Cb 0.74 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3k0s h GLU 408 CO 0.03 0.97 -0.64 0.00 -1.00 0.00 0.00 179.01 178.37 3k0s h ARG 409 N 0.22 0.00 0.04 2.33 3.08 -0.91 -3.39 114.38 115.74 3k0s h ARG 409 Ca -0.04 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.66 3k0s h ARG 409 Cb 1.39 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.39 3k0s h ARG 409 CO 0.13 0.12 -2.06 0.00 -1.07 0.00 0.00 179.97 177.09 3k0s n ALA 410 N -2.19 1.31 -2.82 0.04 0.00 -0.22 -4.45 120.51 112.18 3k0s n ALA 410 Ca 0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 53.44 52.30 3k0s n ALA 410 Cb 0.61 -0.54 -0.16 0.00 0.00 0.00 0.00 19.45 19.36 3k0s n ALA 410 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k0s s ILE 411 N -2.55 1.33 1.19 0.00 1.01 -1.13 -1.31 121.20 119.74 3k0s s ILE 411 Ca -0.16 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 3k0s s ILE 411 Cb 0.07 -1.14 0.29 0.00 0.01 0.00 0.00 42.46 41.70 3k0s s ILE 411 CO 0.77 0.38 1.02 0.27 0.00 0.00 0.00 174.94 177.39 3k0s s ILE 412 N -0.06 1.87 0.15 2.92 -4.36 -0.80 -4.67 121.20 116.26 3k0s s ILE 412 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 60.65 60.22 3k0s s ILE 412 Cb -0.10 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.48 3k0s s ILE 412 CO 0.01 0.00 1.81 0.44 0.24 0.00 0.00 174.94 177.44 3k0s h ASP 413 N -2.68 0.45 -2.74 4.36 3.32 -1.95 -3.36 116.42 113.83 3k0s h ASP 413 Ca -0.58 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 55.85 3k0s h ASP 413 Cb 1.34 -0.11 -0.40 0.00 0.22 0.00 0.00 39.33 40.38 3k0s h ASP 413 CO 0.48 0.32 -0.81 0.42 -1.72 0.00 0.00 179.24 177.94 3k0s s THR 414 N -6.16 1.32 0.76 0.35 -4.23 -1.26 -5.07 115.64 101.34 3k0s s THR 414 Ca -0.13 -3.17 -0.14 0.00 -1.18 0.00 0.00 61.69 57.07 3k0s s THR 414 Cb 0.11 -1.89 0.05 0.00 1.34 0.00 0.00 72.50 72.11 3k0s s THR 414 CO 0.72 -1.11 1.21 -2.84 -0.54 0.00 0.00 174.62 172.06 3k0s s PRO 415 N -0.40 1.95 1.17 3.99 0.02 -1.26 -5.02 135.00 135.45 3k0s s PRO 415 Ca 0.28 1.78 -0.16 0.00 0.02 0.00 0.00 61.00 62.92 3k0s s PRO 415 Cb -0.03 -1.81 0.27 0.00 0.02 0.00 0.00 34.50 32.96 3k0s s PRO 415 CO -0.16 -1.99 1.05 -2.14 -0.33 0.00 0.00 177.00 173.43 3k0s s PRO 416 N -3.98 -0.99 0.18 5.54 0.02 -1.26 -4.76 135.00 129.75 3k0s s PRO 416 Ca 0.74 0.38 -0.11 0.00 0.02 0.00 0.00 61.00 62.03 3k0s s PRO 416 Cb -0.29 -1.58 0.09 0.00 0.02 0.00 0.00 34.50 32.73 3k0s s PRO 416 CO 0.47 -3.65 1.73 0.28 -0.33 0.00 0.00 177.00 175.49 3k0s h VAL 417 N -2.55 1.24 -3.55 3.83 2.07 -1.97 -3.38 116.25 111.93 3k0s h VAL 417 Ca -0.53 -0.77 -0.67 0.00 0.82 0.00 0.00 66.70 65.55 3k0s h VAL 417 Cb 1.33 0.57 -0.19 0.00 -1.52 0.00 0.00 31.29 31.48 3k0s h VAL 417 CO 0.45 0.30 -0.81 -0.76 0.02 0.00 0.00 177.57 176.77 3k0s s LEU 418 N -9.71 2.58 0.00 2.57 1.43 -1.26 -4.06 118.68 110.23 3k0s s LEU 418 Ca -0.13 -0.68 0.28 0.00 -1.03 0.00 0.00 54.13 52.57 3k0s s LEU 418 Cb 0.13 -1.39 1.01 0.00 0.03 0.00 0.00 46.19 45.97 3k0s s LEU 418 CO 0.81 0.16 1.73 0.55 0.23 0.00 0.00 176.35 179.82 3k0s n VAL 419 N 0.60 0.00 -0.19 -1.59 3.14 -1.26 -4.24 118.33 114.79 3k0s n VAL 419 Ca -0.15 -0.06 0.15 0.00 -2.96 0.00 0.00 64.34 61.33 3k0s n VAL 419 Cb 0.54 0.02 0.49 0.00 -1.06 0.00 0.00 33.84 33.83 3k0s n VAL 419 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3k0s h ARG 420 N 0.55 0.44 -0.10 1.45 2.43 -1.99 -2.31 114.38 114.85 3k0s h ARG 420 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3k0s h ARG 420 Cb 0.43 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3k0s h ARG 420 CO 0.00 0.29 0.00 -0.25 -1.51 0.00 0.00 179.97 178.50 3k0s n ASP 421 N -4.49 2.27 0.00 -3.80 8.00 -1.26 -5.09 116.55 112.18 3k0s n ASP 421 Ca 0.15 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 54.02 3k0s n ASP 421 Cb 0.54 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3k0s n ASP 421 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k0s n GLY 422 N 0.69 -1.20 2.46 0.44 0.00 -0.87 -4.96 105.19 101.74 3k0s n GLY 422 Ca 0.09 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 3k0s n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k0s n GLY 423 N 0.00 -0.27 0.29 -0.02 0.00 -1.26 -4.81 105.19 99.11 3k0s n GLY 423 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 3k0s n GLY 423 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k0s n VAL 424 N -4.09 0.75 -2.57 1.61 0.31 -1.26 -4.41 118.33 108.67 3k0s n VAL 424 Ca -0.15 -0.24 -0.43 0.00 -0.01 0.00 0.00 64.34 63.51 3k0s n VAL 424 Cb 0.63 -1.28 -0.02 0.00 -0.91 0.00 0.00 33.84 32.25 3k0s n VAL 424 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3k0s s ILE 425 N -2.26 4.52 0.47 2.52 -1.09 -1.26 -1.91 121.20 122.19 3k0s s ILE 425 Ca -0.18 1.83 -0.23 0.00 -2.23 0.00 0.00 60.65 59.83 3k0s s ILE 425 Cb 0.06 -4.18 -0.07 0.00 -1.58 0.00 0.00 42.46 36.69 3k0s s ILE 425 CO 0.27 -0.11 1.23 0.00 -1.23 0.00 0.00 174.94 175.10 3k0s s ALA 426 N 2.95 2.99 0.70 9.38 0.00 -0.42 -4.79 121.76 132.57 3k0s s ALA 426 Ca 0.50 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 53.37 3k0s s ALA 426 Cb -0.19 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.52 3k0s s ALA 426 CO 0.13 -0.83 1.18 -1.12 0.00 0.00 0.00 175.76 175.11 3k0s s SER 427 N -1.17 4.49 0.00 0.00 0.01 -1.26 -3.02 113.70 112.75 3k0s s SER 427 Ca 0.64 2.25 0.00 0.00 1.31 0.00 0.00 55.95 60.16 3k0s s SER 427 Cb -0.33 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.33 3k0s s SER 427 CO 0.40 -2.06 0.00 0.61 0.41 0.00 0.00 173.24 172.60 3k0s n GLY 428 N 0.14 2.48 0.14 3.44 0.00 -1.26 -4.90 105.19 105.23 3k0s n GLY 428 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3k0s n GLY 428 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3k0s h TYR 429 N 0.00 0.83 -3.25 1.61 3.20 -1.75 -3.44 116.97 114.17 3k0s h TYR 429 Ca 0.00 -0.60 -0.43 0.00 3.14 0.00 0.00 58.73 60.84 3k0s h TYR 429 Cb 0.00 -0.04 -0.39 0.00 1.54 0.00 0.00 36.73 37.84 3k0s h TYR 429 CO 0.00 1.46 -0.76 1.21 -1.64 0.00 0.00 178.16 178.44 3k0s s ASN 430 N -7.35 1.72 0.18 -2.11 3.84 -1.26 -5.05 114.94 104.92 3k0s s ASN 430 Ca -0.11 -0.20 -0.13 0.00 0.21 0.00 0.00 52.86 52.63 3k0s s ASN 430 Cb 0.03 -0.34 0.14 0.00 -0.55 0.00 0.00 41.25 40.52 3k0s s ASN 430 CO 0.90 -0.25 1.79 -0.08 -2.79 0.00 0.00 177.10 176.68 3k0s h GLU 431 N 8.36 0.52 -0.55 0.43 4.81 -2.00 -2.24 114.58 123.92 3k0s h GLU 431 Ca -0.16 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3k0s h GLU 431 Cb 1.13 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 3k0s h GLU 431 CO 0.24 0.35 0.35 1.49 -0.73 0.00 0.00 179.01 180.70 3k0s h GLU 432 N 0.54 0.73 0.88 1.92 4.81 -1.98 -2.76 114.58 118.72 3k0s h GLU 432 Ca 0.23 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3k0s h GLU 432 Cb 0.11 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.34 3k0s h GLU 432 CO -0.14 0.51 -0.42 1.25 -0.73 0.00 0.00 179.01 179.47 3k0s h LEU 433 N 0.74 -1.00 0.00 1.64 5.85 -1.83 -0.99 115.31 119.72 3k0s h LEU 433 Ca 0.20 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3k0s h LEU 433 Cb -0.05 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3k0s h LEU 433 CO -0.04 -0.66 0.00 -0.90 -0.34 0.00 0.00 178.44 176.50 3k0s n ASP 434 N -5.45 0.00 0.02 1.25 5.68 -0.99 0.12 116.55 117.18 3k0s n ASP 434 Ca -0.15 -0.16 0.11 0.00 -0.50 0.00 0.00 54.79 54.09 3k0s n ASP 434 Cb 0.46 -0.10 -0.12 0.00 -1.14 0.00 0.00 41.12 40.22 3k0s n ASP 434 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3k0s n GLU 435 N -1.10 0.64 0.12 0.11 2.13 -0.93 -2.57 120.64 119.04 3k0s n GLU 435 Ca 0.07 -0.11 -0.20 0.00 0.66 0.00 0.00 57.16 57.57 3k0s n GLU 435 Cb 0.05 -1.60 -0.15 0.00 0.27 0.00 0.00 31.44 30.01 3k0s n GLU 435 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 3k0s h TRP 436 N 0.00 0.71 -0.74 4.31 -0.00 0.10 -3.13 115.95 117.21 3k0s h TRP 436 Ca 0.00 -0.52 -0.04 0.00 -0.00 0.00 0.00 58.89 58.33 3k0s h TRP 436 Cb 1.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.16 30.10 3k0s h TRP 436 CO 0.00 1.42 0.32 0.00 -0.00 0.00 0.00 178.44 180.18 3k0s h ARG 437 N 0.11 1.08 -0.57 0.49 3.08 -1.38 0.25 114.38 117.44 3k0s h ARG 437 Ca -0.20 -0.17 0.06 0.00 0.07 0.00 0.00 59.98 59.74 3k0s h ARG 437 Cb 2.07 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.90 3k0s h ARG 437 CO 0.23 0.86 0.38 0.00 -1.07 0.00 0.00 179.97 180.38 3k0s h ALA 438 N 1.28 1.84 -0.99 0.04 0.00 -1.50 0.69 119.26 120.62 3k0s h ALA 438 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3k0s h ALA 438 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3k0s h ALA 438 CO -0.03 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.58 3k0s n LEU 439 N -4.47 0.94 -0.34 0.00 4.77 -1.00 -1.08 117.00 115.82 3k0s n LEU 439 Ca 0.08 0.36 0.36 0.00 -0.03 0.00 0.00 56.01 56.78 3k0s n LEU 439 Cb 0.24 -0.34 0.65 0.00 -2.33 0.00 0.00 43.42 41.64 3k0s n LEU 439 CO 0.34 -0.34 1.33 0.00 -1.33 0.00 0.00 177.39 177.40 3k0s h ALA 440 N -2.00 3.15 0.00 -1.18 0.00 -0.46 -2.82 119.26 115.95 3k0s h ALA 440 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3k0s h ALA 440 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k0s h ALA 440 CO 0.00 -1.76 -0.59 -3.47 0.00 0.00 0.00 179.25 173.44 3k0s n ASP 441 N -3.67 0.98 -0.41 0.00 2.03 0.24 -4.72 116.55 111.00 3k0s n ASP 441 Ca 0.28 0.14 0.38 0.00 0.52 0.00 0.00 54.79 56.11 3k0s n ASP 441 Cb 1.50 -0.33 0.74 0.00 -0.72 0.00 0.00 41.12 42.31 3k0s n ASP 441 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3k0s h GLY 442 N -0.21 0.20 -3.41 0.27 0.00 -0.78 0.90 103.07 100.04 3k0s h GLY 442 Ca -0.05 -0.03 -0.37 0.00 0.00 0.00 0.00 47.33 46.89 3k0s h GLY 442 CO -0.03 -0.04 0.47 0.00 0.00 0.00 0.00 176.54 176.94 3k0s n ALA 443 N -2.76 4.84 0.40 3.60 0.00 -1.07 -3.83 120.51 121.70 3k0s n ALA 443 Ca 0.30 -1.99 0.11 0.00 0.00 0.00 0.00 53.44 51.87 3k0s n ALA 443 Cb 1.39 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.47 3k0s n ALA 443 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k0s n THR 444 N -0.38 0.23 0.21 0.00 -2.24 0.31 -3.69 114.28 108.72 3k0s n THR 444 Ca 0.39 -0.34 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 3k0s n THR 444 Cb 1.03 0.08 0.55 0.00 -2.10 0.00 0.00 70.33 69.89 3k0s n THR 444 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3k0s h ASP 445 N 0.00 0.06 -0.69 3.42 5.19 -1.80 -3.03 116.42 119.58 3k0s h ASP 445 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3k0s h ASP 445 Cb 0.82 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.28 3k0s h ASP 445 CO 0.00 0.12 0.43 0.22 -3.12 0.00 0.00 179.24 176.90 3k0s h TYR 446 N 0.06 0.88 -0.79 4.55 3.20 -1.85 -2.71 116.97 120.31 3k0s h TYR 446 Ca 0.02 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3k0s h TYR 446 Cb 0.14 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 3k0s h TYR 446 CO 0.00 0.58 0.51 -0.07 -1.64 0.00 0.00 178.16 177.54 3k0s h LEU 447 N 0.93 0.87 -0.89 2.82 3.38 -1.73 -0.82 115.31 119.87 3k0s h LEU 447 Ca 0.25 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 3k0s h LEU 447 Cb -0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3k0s h LEU 447 CO -0.05 0.61 0.24 -0.08 0.09 0.00 0.00 178.44 179.25 3k0s h GLU 448 N 1.02 1.06 0.01 1.13 4.81 -1.59 -2.14 114.58 118.88 3k0s h GLU 448 Ca 0.31 -0.20 -0.24 0.00 -0.13 0.00 0.00 59.36 59.10 3k0s h GLU 448 Cb -0.04 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 3k0s h GLU 448 CO -0.10 0.89 -1.23 0.07 -0.73 0.00 0.00 179.01 177.91 3k0s h ARG 449 N 1.03 0.01 -0.32 1.92 0.11 -1.21 -2.87 114.38 113.06 3k0s h ARG 449 Ca 0.23 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.29 3k0s h ARG 449 Cb 0.25 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 3k0s h ARG 449 CO -0.01 0.86 0.18 1.25 0.10 0.00 0.00 179.97 182.35 3k0s h LEU 450 N 0.00 0.38 -0.00 0.08 5.85 -1.08 -0.49 115.31 120.04 3k0s h LEU 450 Ca -0.10 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3k0s h LEU 450 Cb 1.85 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.79 3k0s h LEU 450 CO 0.12 0.30 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.44 3k0s h GLU 451 N 0.44 0.01 -0.47 1.25 4.81 -1.17 -0.00 114.58 119.44 3k0s h GLU 451 Ca 0.12 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 3k0s h GLU 451 Cb 0.00 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3k0s h GLU 451 CO -0.02 0.45 -0.17 -0.39 -0.73 0.00 0.00 179.01 178.15 3k0s h VAL 452 N -0.43 1.27 0.71 0.32 -1.51 -1.40 0.29 116.25 115.50 3k0s h VAL 452 Ca 0.00 -1.31 -0.03 0.00 -1.23 0.00 0.00 66.70 64.13 3k0s h VAL 452 Cb 0.45 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 3k0s h VAL 452 CO 0.00 0.45 -0.49 -0.09 -1.23 0.00 0.00 177.57 176.21 3k0s h ARG 453 N 0.81 -1.11 -0.35 5.19 2.43 -1.09 0.00 114.38 120.26 3k0s h ARG 453 Ca 0.12 0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3k0s h ARG 453 Cb 0.72 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3k0s h ARG 453 CO 0.05 -0.74 0.02 0.93 -1.51 0.00 0.00 179.97 178.73 3k0s h GLU 454 N -1.15 0.54 -0.59 0.20 4.39 -0.92 0.44 114.58 117.49 3k0s h GLU 454 Ca -0.09 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 3k0s h GLU 454 Cb 0.94 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 3k0s h GLU 454 CO 0.06 0.55 0.08 -0.09 -1.16 0.00 0.00 179.01 178.44 3k0s h ARG 455 N 0.52 0.98 -0.15 2.33 2.43 -0.30 -0.75 114.38 119.45 3k0s h ARG 455 Ca 0.11 -0.27 -0.21 0.00 -0.81 0.00 0.00 59.98 58.80 3k0s h ARG 455 Cb 0.30 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3k0s h ARG 455 CO 0.01 0.94 -0.72 0.93 -1.51 0.00 0.00 179.97 179.61 3k0s h GLU 456 N 0.88 0.75 -0.46 0.20 5.08 -0.64 -1.33 114.58 119.06 3k0s h GLU 456 Ca 0.18 -0.61 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3k0s h GLU 456 Cb 0.44 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3k0s h GLU 456 CO 0.01 1.22 0.20 -0.09 -1.00 0.00 0.00 179.01 179.36 3k0s h ARG 457 N 0.46 0.67 0.00 2.33 2.43 -0.81 -3.00 114.38 116.45 3k0s h ARG 457 Ca -0.05 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 58.88 3k0s h ARG 457 Cb 1.36 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 3k0s h ARG 457 CO 0.15 0.59 -0.65 1.79 -1.51 0.00 0.00 179.97 180.34 3k0s h THR 458 N 0.59 1.13 -0.20 0.20 1.35 -1.20 -3.47 112.91 111.32 3k0s h THR 458 Ca 0.15 -2.54 -0.08 0.00 -0.55 0.00 0.00 66.41 63.39 3k0s h THR 458 Cb 0.15 2.52 -0.03 0.00 -1.73 0.00 0.00 68.15 69.06 3k0s h THR 458 CO -0.02 0.63 -0.08 0.61 -0.25 0.00 0.00 175.52 176.42 3k0s n GLY 459 N 1.18 0.68 3.45 5.82 0.00 -0.51 -5.01 105.19 110.81 3k0s n GLY 459 Ca 0.01 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 3k0s n GLY 459 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k0s s LEU 460 N -0.94 5.08 0.08 0.99 1.43 -1.18 -4.95 118.68 119.18 3k0s s LEU 460 Ca 0.00 -0.89 0.23 0.00 -1.03 0.00 0.00 54.13 52.44 3k0s s LEU 460 Cb 0.00 -2.33 0.92 0.00 0.03 0.00 0.00 46.19 44.81 3k0s s LEU 460 CO 0.00 -0.64 1.72 -0.90 0.23 0.00 0.00 176.35 176.76 3k0s n ASP 461 N 5.57 0.25 -0.15 2.29 5.75 -1.26 -1.68 116.55 127.32 3k0s n ASP 461 Ca -0.09 0.54 0.14 0.00 -0.01 0.00 0.00 54.79 55.37 3k0s n ASP 461 Cb 0.46 -0.60 0.60 0.00 -1.03 0.00 0.00 41.12 40.55 3k0s n ASP 461 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3k0s n THR 462 N -1.75 0.00 -1.73 2.12 -2.24 -1.26 -4.92 114.28 104.50 3k0s n THR 462 Ca 0.05 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 3k0s n THR 462 Cb 0.28 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 3k0s n THR 462 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3k0s s LEU 463 N -2.43 4.39 0.02 3.22 0.20 -0.68 -4.56 118.68 118.85 3k0s s LEU 463 Ca 0.30 2.80 0.03 0.00 0.69 0.00 0.00 54.13 57.95 3k0s s LEU 463 Cb 0.20 -3.58 -0.02 0.00 -0.43 0.00 0.00 46.19 42.36 3k0s s LEU 463 CO 0.47 -0.99 -0.10 -0.54 -0.29 0.00 0.00 176.35 174.90 3k0s s LYS 464 N 2.06 0.68 -0.09 1.98 -0.14 -0.31 -4.89 119.74 119.03 3k0s s LYS 464 Ca 0.78 -0.56 -0.05 0.00 -1.36 0.00 0.00 55.97 54.78 3k0s s LYS 464 Cb -0.47 -0.61 -0.04 0.00 -1.68 0.00 0.00 37.83 35.03 3k0s s LYS 464 CO 0.34 0.15 0.11 0.08 -0.76 0.00 0.00 175.35 175.27 3k0s s VAL 465 N -0.73 5.15 0.38 3.17 1.01 -1.26 0.52 120.40 128.64 3k0s s VAL 465 Ca -0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 3k0s s VAL 465 Cb -0.06 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.09 3k0s s VAL 465 CO 0.00 0.55 0.70 -0.83 0.00 0.00 0.00 175.10 175.52 3k0s s GLY 466 N -1.19 0.75 0.03 4.51 0.00 -0.78 -4.97 107.32 105.66 3k0s s GLY 466 Ca 0.17 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.88 3k0s s GLY 466 CO 0.07 -0.54 -0.05 -0.12 0.00 0.00 0.00 173.10 172.46 3k0s s PHE 467 N -2.46 0.44 -0.05 1.90 2.19 -1.26 -1.38 117.98 117.36 3k0s s PHE 467 Ca 0.20 -0.45 -0.02 0.00 0.33 0.00 0.00 56.93 56.99 3k0s s PHE 467 Cb -0.04 -0.28 0.03 0.00 -1.31 0.00 0.00 43.02 41.43 3k0s s PHE 467 CO 0.15 -0.12 0.09 1.21 1.83 0.00 0.00 175.22 178.38 3k0s s ASN 468 N -1.33 0.13 0.23 6.13 3.84 -0.78 -4.97 114.94 118.18 3k0s s ASN 468 Ca -0.11 0.17 -0.08 0.00 0.21 0.00 0.00 52.86 53.05 3k0s s ASN 468 Cb -0.09 0.06 0.23 0.00 -0.55 0.00 0.00 41.25 40.90 3k0s s ASN 468 CO -0.00 -0.16 1.88 0.00 -2.79 0.00 0.00 177.10 176.04 3k0s h ALA 469 N 7.45 1.09 -0.03 1.71 0.00 -2.01 0.69 119.26 128.16 3k0s h ALA 469 Ca -0.40 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3k0s h ALA 469 Cb 1.13 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3k0s h ALA 469 CO 0.41 0.42 -0.19 0.28 0.00 0.00 0.00 179.25 180.16 3k0s h VAL 470 N 1.09 1.50 -0.00 0.00 2.07 -2.05 -3.36 116.25 115.49 3k0s h VAL 470 Ca 0.32 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3k0s h VAL 470 Cb -0.05 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3k0s h VAL 470 CO -0.10 0.48 -0.87 1.41 0.02 0.00 0.00 177.57 178.51 3k0s n HIS 471 N -4.56 0.00 -2.36 1.57 8.25 -1.20 -5.10 115.22 111.82 3k0s n HIS 471 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3k0s n HIS 471 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3k0s n HIS 471 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k0s n GLY 472 N 1.44 -1.82 3.77 -1.41 0.00 0.24 -4.93 105.19 102.49 3k0s n GLY 472 Ca 0.04 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 3k0s n GLY 472 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k0s s TYR 473 N 0.00 2.65 0.20 1.61 2.02 -1.26 -1.86 117.35 120.71 3k0s s TYR 473 Ca 0.00 1.54 -0.18 0.00 -0.37 0.00 0.00 57.07 58.06 3k0s s TYR 473 Cb 0.00 -3.26 0.03 0.00 -0.40 0.00 0.00 41.96 38.33 3k0s s TYR 473 CO 0.00 -1.62 0.55 1.52 -1.57 0.00 0.00 175.55 174.43 3k0s s TYR 474 N -1.92 -0.17 -0.15 2.71 -0.85 -0.48 -4.81 117.35 111.67 3k0s s TYR 474 Ca 0.71 -0.17 -0.03 0.00 -0.52 0.00 0.00 57.07 57.07 3k0s s TYR 474 Cb -0.23 0.44 -0.02 0.00 0.38 0.00 0.00 41.96 42.52 3k0s s TYR 474 CO 0.31 -0.94 -0.06 0.42 -1.52 0.00 0.00 175.55 173.76 3k0s s ILE 475 N -3.86 3.61 -0.15 -3.49 1.01 0.10 -1.87 121.20 116.56 3k0s s ILE 475 Ca 0.08 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 3k0s s ILE 475 Cb -0.01 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 3k0s s ILE 475 CO -0.03 0.50 -0.13 -1.58 0.00 0.00 0.00 174.94 173.70 3k0s s GLN 476 N 0.45 3.35 0.08 2.79 0.74 0.19 0.90 119.66 128.15 3k0s s GLN 476 Ca -0.05 -0.69 0.10 0.00 0.05 0.00 0.00 55.36 54.76 3k0s s GLN 476 Cb -0.15 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.26 3k0s s GLN 476 CO 0.03 0.12 -0.26 0.42 -0.55 0.00 0.00 175.29 175.05 3k0s s ILE 477 N 0.58 2.16 0.68 -2.34 1.01 0.21 -1.16 121.20 122.34 3k0s s ILE 477 Ca -0.08 -1.52 -0.16 0.00 0.00 0.00 0.00 60.65 58.88 3k0s s ILE 477 Cb -0.16 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.45 3k0s s ILE 477 CO 0.03 0.25 1.23 -0.94 0.00 0.00 0.00 174.94 175.51 3k0s s SER 478 N -1.55 4.49 0.23 3.58 1.04 -1.26 -0.41 113.70 119.82 3k0s s SER 478 Ca 0.12 2.43 -0.08 0.00 0.48 0.00 0.00 55.95 58.91 3k0s s SER 478 Cb -0.10 -2.60 0.23 0.00 0.10 0.00 0.00 66.02 63.66 3k0s s SER 478 CO 0.04 -2.07 1.89 -0.09 0.98 0.00 0.00 173.24 173.99 3k0s h ARG 479 N 0.15 1.09 -0.70 4.02 2.43 -1.70 0.11 114.38 119.78 3k0s h ARG 479 Ca -0.49 -0.07 0.14 0.00 -0.81 0.00 0.00 59.98 58.76 3k0s h ARG 479 Cb 1.31 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 3k0s h ARG 479 CO 0.52 0.72 0.47 0.78 -1.51 0.00 0.00 179.97 180.95 3k0s h GLY 480 N 1.13 0.59 -0.38 2.80 0.00 -1.90 -2.16 103.07 103.13 3k0s h GLY 480 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3k0s h GLY 480 CO -0.09 0.06 -0.69 -1.06 0.00 0.00 0.00 176.54 174.76 3k0s n GLN 481 N -4.46 1.05 0.24 4.80 6.02 -0.45 -4.60 117.38 119.98 3k0s n GLN 481 Ca 0.13 -0.40 0.08 0.00 -0.01 0.00 0.00 57.00 56.81 3k0s n GLN 481 Cb 0.51 -1.39 0.59 0.00 1.02 0.00 0.00 30.24 30.97 3k0s n GLN 481 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3k0s h SER 482 N 0.94 0.00 0.44 1.08 4.64 -0.14 -0.71 113.55 119.79 3k0s h SER 482 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k0s h SER 482 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3k0s h SER 482 CO 0.00 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 3k0s n HIS 483 N -4.01 0.39 0.78 4.77 1.44 -1.26 -2.66 115.22 114.67 3k0s n HIS 483 Ca -0.02 0.17 0.12 0.00 -2.01 0.00 0.00 57.72 55.98 3k0s n HIS 483 Cb 0.25 -0.77 0.21 0.00 0.12 0.00 0.00 29.99 29.81 3k0s n HIS 483 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3k0s n LEU 484 N -1.87 2.93 -4.80 2.39 4.77 -0.27 -4.99 117.00 115.15 3k0s n LEU 484 Ca 0.02 -1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 54.53 3k0s n LEU 484 Cb 0.15 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3k0s n LEU 484 CO 0.13 0.56 0.72 0.00 -1.33 0.00 0.00 177.39 177.47 3k0s s ALA 485 N -1.77 2.87 0.56 -1.18 0.00 -1.09 -4.97 121.76 116.18 3k0s s ALA 485 Ca 0.34 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.71 3k0s s ALA 485 Cb 0.21 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 3k0s s ALA 485 CO 0.31 -0.32 0.85 -2.30 0.00 0.00 0.00 175.76 174.31 3k0s n PRO 486 N -0.97 0.88 0.00 0.00 -0.02 -1.26 -4.85 135.00 128.77 3k0s n PRO 486 Ca 0.09 0.33 0.15 0.00 -2.02 0.00 0.00 63.50 62.05 3k0s n PRO 486 Cb 0.52 -2.01 0.77 0.00 -0.02 0.00 0.00 33.50 32.76 3k0s n PRO 486 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3k0s n ILE 487 N -1.47 0.03 0.44 4.25 -5.35 -1.26 -2.23 119.36 113.78 3k0s n ILE 487 Ca 0.12 0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.73 3k0s n ILE 487 Cb 0.46 -0.53 0.23 0.00 -1.74 0.00 0.00 39.64 38.06 3k0s n ILE 487 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3k0s n ASN 488 N -1.23 3.25 -4.67 7.28 6.94 -1.26 -4.82 115.26 120.75 3k0s n ASN 488 Ca 0.16 -1.96 -0.43 0.00 -0.02 0.00 0.00 54.58 52.33 3k0s n ASN 488 Cb 0.21 -0.23 -0.02 0.00 -2.36 0.00 0.00 39.78 37.38 3k0s n ASN 488 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3k0s s TYR 489 N -1.55 2.77 -0.38 -2.53 1.51 -0.95 -4.79 117.35 111.44 3k0s s TYR 489 Ca 0.38 0.91 -0.18 0.00 -1.01 0.00 0.00 57.07 57.16 3k0s s TYR 489 Cb 0.22 -3.56 0.00 0.00 -0.11 0.00 0.00 41.96 38.51 3k0s s TYR 489 CO 0.31 -2.01 0.50 -1.64 -1.11 0.00 0.00 175.55 171.60 3k0s s MET 490 N 3.30 3.46 0.24 -0.62 -1.94 -0.21 -4.90 119.30 118.64 3k0s s MET 490 Ca 0.58 -0.35 -0.31 0.00 -1.71 0.00 0.00 55.69 53.90 3k0s s MET 490 Cb -0.24 -3.86 -0.13 0.00 2.01 0.00 0.00 34.83 32.61 3k0s s MET 490 CO 0.19 -0.72 1.50 -2.13 -0.01 0.00 0.00 175.02 173.84 3k0s n ARG 491 N 5.74 2.27 0.00 2.03 0.63 -1.26 -0.47 116.66 125.60 3k0s n ARG 491 Ca -0.05 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 3k0s n ARG 491 Cb 0.48 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.87 3k0s n ARG 491 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3k0s n ARG 492 N 2.37 0.00 -3.66 -0.14 0.63 0.02 -4.81 116.66 111.07 3k0s n ARG 492 Ca 0.12 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.97 3k0s n ARG 492 Cb 0.33 -0.86 -0.08 0.00 0.45 0.00 0.00 32.46 32.29 3k0s n ARG 492 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3k0s s GLN 493 N -2.00 0.44 -0.03 -0.14 0.74 -0.74 -5.01 119.66 112.91 3k0s s GLN 493 Ca 0.00 1.08 -0.11 0.00 0.05 0.00 0.00 55.36 56.38 3k0s s GLN 493 Cb 0.00 0.32 -0.05 0.00 1.10 0.00 0.00 33.01 34.38 3k0s s GLN 493 CO 0.00 -0.21 0.31 0.99 -0.55 0.00 0.00 175.29 175.83 3k0s s THR 494 N 2.24 5.22 0.38 -0.34 2.01 -1.26 -0.26 115.64 123.63 3k0s s THR 494 Ca -0.06 0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.51 3k0s s THR 494 Cb -0.10 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 3k0s s THR 494 CO -0.15 0.55 0.08 0.18 -0.69 0.00 0.00 174.62 174.59 3k0s n LEU 495 N 1.74 0.00 0.26 4.42 4.32 -0.32 -4.99 117.00 122.43 3k0s n LEU 495 Ca -0.15 -2.71 -0.16 0.00 -0.02 0.00 0.00 56.01 52.97 3k0s n LEU 495 Cb 0.53 0.67 -0.08 0.00 -1.62 0.00 0.00 43.42 42.93 3k0s n LEU 495 CO 0.36 -0.41 0.70 0.50 -1.22 0.00 0.00 177.39 177.32 3k0s h LYS 496 N 0.00 -0.63 -0.17 3.23 3.64 -2.04 -3.31 116.57 117.29 3k0s h LYS 496 Ca -0.31 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.07 3k0s h LYS 496 Cb 1.07 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3k0s h LYS 496 CO 0.50 -0.42 -0.08 0.09 -2.27 0.00 0.00 179.45 177.27 3k0s n ASN 497 N -5.39 2.82 -3.49 4.20 3.02 -1.26 -4.96 115.26 110.20 3k0s n ASN 497 Ca -0.11 -3.34 -0.16 0.00 -0.03 0.00 0.00 54.58 50.95 3k0s n ASN 497 Cb 0.29 -0.53 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 3k0s n ASN 497 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k0s s ALA 498 N -3.00 -1.73 -0.01 5.41 0.00 -1.25 -2.00 121.76 119.18 3k0s s ALA 498 Ca 0.39 1.10 0.08 0.00 0.00 0.00 0.00 51.96 53.53 3k0s s ALA 498 Cb 0.34 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 3k0s s ALA 498 CO 0.03 -0.48 -0.26 -1.21 0.00 0.00 0.00 175.76 173.84 3k0s s GLU 499 N -1.92 2.06 -0.04 0.00 0.41 0.46 -1.17 118.70 118.50 3k0s s GLU 499 Ca -0.07 -0.96 0.06 0.00 -0.41 0.00 0.00 54.97 53.59 3k0s s GLU 499 Cb -0.00 -2.04 -0.02 0.00 -1.78 0.00 0.00 34.13 30.29 3k0s s GLU 499 CO 0.03 0.55 -0.23 1.03 -0.49 0.00 0.00 175.26 176.15 3k0s s ARG 500 N -0.75 2.33 0.27 1.61 0.52 0.64 -0.62 118.95 122.95 3k0s s ARG 500 Ca 0.10 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 3k0s s ARG 500 Cb -0.10 -2.15 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 3k0s s ARG 500 CO -0.00 0.52 0.03 0.71 0.02 0.00 0.00 175.30 176.58 3k0s s TYR 501 N -0.51 1.72 0.01 -0.53 1.51 0.26 -0.80 117.35 119.02 3k0s s TYR 501 Ca 0.07 -0.96 0.03 0.00 -1.01 0.00 0.00 57.07 55.20 3k0s s TYR 501 Cb -0.11 -1.05 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 3k0s s TYR 501 CO 0.01 -0.05 -0.09 -1.50 -1.11 0.00 0.00 175.55 172.80 3k0s s ILE 502 N -3.40 0.74 0.19 2.71 1.10 0.38 0.01 121.20 122.92 3k0s s ILE 502 Ca 0.33 -0.59 0.07 0.00 -0.51 0.00 0.00 60.65 59.95 3k0s s ILE 502 Cb 0.07 -0.66 -0.05 0.00 0.15 0.00 0.00 42.46 41.98 3k0s s ILE 502 CO 0.12 0.07 -0.14 0.27 -2.11 0.00 0.00 174.94 173.15 3k0s s ILE 503 N -0.49 1.66 0.30 2.00 -4.36 -1.26 -1.04 121.20 118.01 3k0s s ILE 503 Ca 0.01 -2.13 0.05 0.00 -0.26 0.00 0.00 60.65 58.31 3k0s s ILE 503 Cb -0.05 -1.97 0.29 0.00 1.25 0.00 0.00 42.46 41.98 3k0s s ILE 503 CO 0.00 -0.57 1.79 -0.65 0.24 0.00 0.00 174.94 175.75 3k0s h PRO 504 N 2.72 0.78 -0.41 0.37 0.11 -1.99 -0.86 132.00 132.72 3k0s h PRO 504 Ca -0.38 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3k0s h PRO 504 Cb 1.21 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3k0s h PRO 504 CO 0.60 0.52 0.25 1.49 -0.21 0.00 0.00 178.00 180.65 3k0s h GLU 505 N 0.80 0.56 -0.00 1.05 4.81 -2.00 -0.50 114.58 119.31 3k0s h GLU 505 Ca 0.56 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.60 3k0s h GLU 505 Cb 0.81 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3k0s h GLU 505 CO -0.36 0.41 -0.63 1.25 -0.73 0.00 0.00 179.01 178.95 3k0s h LEU 506 N 0.54 0.02 -0.48 1.64 5.85 -1.70 -2.54 115.31 118.64 3k0s h LEU 506 Ca 0.15 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3k0s h LEU 506 Cb -0.00 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3k0s h LEU 506 CO -0.03 0.65 -0.19 0.50 -0.34 0.00 0.00 178.44 179.03 3k0s h LYS 507 N 0.01 0.98 -0.47 1.25 1.63 -0.72 -1.89 116.57 117.35 3k0s h LYS 507 Ca -0.01 -0.41 -0.03 0.00 -0.85 0.00 0.00 60.65 59.35 3k0s h LYS 507 Cb 1.12 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.70 3k0s h LYS 507 CO 0.08 1.08 0.18 0.93 -3.45 0.00 0.00 179.45 178.28 3k0s h GLU 508 N 0.83 0.71 -0.67 1.90 5.08 -0.95 -2.23 114.58 119.25 3k0s h GLU 508 Ca 0.11 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3k0s h GLU 508 Cb 0.77 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 3k0s h GLU 508 CO 0.06 0.65 0.44 -0.92 -1.00 0.00 0.00 179.01 178.24 3k0s h TYR 509 N 0.62 0.80 -0.40 4.33 3.20 -1.38 -0.21 116.97 123.93 3k0s h TYR 509 Ca 0.16 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 3k0s h TYR 509 Cb 0.21 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3k0s h TYR 509 CO 0.01 0.48 -0.09 1.49 -1.64 0.00 0.00 178.16 178.40 3k0s h GLU 510 N 0.84 0.69 0.07 1.82 4.81 -0.77 0.18 114.58 122.22 3k0s h GLU 510 Ca 0.26 -0.21 -0.29 0.00 -0.13 0.00 0.00 59.36 58.99 3k0s h GLU 510 Cb -0.01 -0.07 0.03 0.00 0.63 0.00 0.00 28.75 29.33 3k0s h GLU 510 CO -0.06 0.77 -1.16 -0.44 -0.73 0.00 0.00 179.01 177.39 3k0s h ASP 511 N 0.64 0.89 0.34 1.04 3.32 -0.98 -2.80 116.42 118.87 3k0s h ASP 511 Ca 0.11 -0.78 -0.00 0.00 0.02 0.00 0.00 57.03 56.38 3k0s h ASP 511 Cb 0.54 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3k0s h ASP 511 CO 0.03 1.58 -0.35 0.11 -1.72 0.00 0.00 179.24 178.89 3k0s h LYS 512 N 0.33 -0.70 -0.45 3.56 1.57 -0.78 -1.59 116.57 118.51 3k0s h LYS 512 Ca -0.16 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3k0s h LYS 512 Cb 1.83 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 34.26 3k0s h LYS 512 CO 0.22 -0.47 0.24 0.28 -0.57 0.00 0.00 179.45 179.16 3k0s h VAL 513 N -0.73 1.01 0.00 0.50 2.07 -0.71 -1.86 116.25 116.52 3k0s h VAL 513 Ca -0.02 -0.17 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 3k0s h VAL 513 Cb 0.66 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3k0s h VAL 513 CO -0.07 0.09 -0.90 -0.07 0.02 0.00 0.00 177.57 176.63 3k0s h LEU 514 N 0.49 0.00 0.20 2.57 3.38 -1.49 0.25 115.31 120.71 3k0s h LEU 514 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3k0s h LEU 514 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3k0s h LEU 514 CO -0.11 0.90 -0.10 0.74 0.09 0.00 0.00 178.44 179.97 3k0s h THR 515 N 0.00 0.87 0.00 0.22 2.02 -1.12 -1.89 112.91 113.01 3k0s h THR 515 Ca -0.01 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 3k0s h THR 515 Cb 1.63 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 3k0s h THR 515 CO 0.12 0.10 -0.44 0.77 0.37 0.00 0.00 175.52 176.43 3k0s h SER 516 N -0.49 0.00 -0.54 4.18 4.64 -1.31 -1.02 113.55 119.01 3k0s h SER 516 Ca -0.03 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 3k0s h SER 516 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3k0s h SER 516 CO 0.05 0.44 -0.00 0.50 -0.87 0.00 0.00 176.83 176.95 3k0s h LYS 517 N 0.00 0.99 -0.25 4.77 1.63 -0.46 -0.31 116.57 122.94 3k0s h LYS 517 Ca -0.00 -0.30 -0.04 0.00 -0.85 0.00 0.00 60.65 59.46 3k0s h LYS 517 Cb 0.86 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 3k0s h LYS 517 CO 0.06 0.97 0.02 0.78 -3.45 0.00 0.00 179.45 177.83 3k0s h GLY 518 N 1.00 0.47 0.24 5.01 0.00 -0.89 -2.77 103.07 106.12 3k0s h GLY 518 Ca 0.17 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.20 3k0s h GLY 518 CO 0.03 0.31 -0.35 0.50 0.00 0.00 0.00 176.54 177.02 3k0s h LYS 519 N 0.23 -0.48 -0.94 4.80 1.79 -0.96 -1.22 116.57 119.79 3k0s h LYS 519 Ca 0.07 0.03 0.14 0.00 -2.18 0.00 0.00 60.65 58.72 3k0s h LYS 519 Cb 0.38 0.11 -0.09 0.00 -1.58 0.00 0.00 32.23 31.05 3k0s h LYS 519 CO 0.01 -0.32 0.55 0.00 -1.08 0.00 0.00 179.45 178.61 3k0s h ALA 520 N 0.18 1.45 0.23 3.86 0.00 -1.05 -1.32 119.26 122.60 3k0s h ALA 520 Ca 0.06 0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.71 3k0s h ALA 520 Cb 0.59 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.30 3k0s h ALA 520 CO -0.29 0.04 -1.43 1.25 0.00 0.00 0.00 179.25 178.82 3k0s h LEU 521 N 0.80 0.77 -0.37 0.00 5.85 -1.16 -0.84 115.31 120.36 3k0s h LEU 521 Ca 0.50 -0.81 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3k0s h LEU 521 Cb 0.64 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3k0s h LEU 521 CO -0.33 1.64 0.23 0.00 -0.34 0.00 0.00 178.44 179.64 3k0s h ALA 522 N 0.25 0.47 -0.41 1.25 0.00 -1.05 -1.59 119.26 118.18 3k0s h ALA 522 Ca -0.23 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3k0s h ALA 522 Cb 2.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 3k0s h ALA 522 CO 0.26 -0.04 -0.15 1.25 0.00 0.00 0.00 179.25 180.57 3k0s h LEU 523 N 0.49 0.75 -0.40 0.00 5.85 -1.21 -1.95 115.31 118.85 3k0s h LEU 523 Ca 0.13 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3k0s h LEU 523 Cb -0.01 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3k0s h LEU 523 CO -0.03 0.91 0.08 -0.08 -0.34 0.00 0.00 178.44 178.99 3k0s h GLU 524 N 0.67 0.64 -0.43 1.25 4.81 -1.02 -0.75 114.58 119.76 3k0s h GLU 524 Ca 0.11 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3k0s h GLU 524 Cb 0.63 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3k0s h GLU 524 CO 0.04 0.68 0.24 0.87 -0.73 0.00 0.00 179.01 180.11 3k0s h LYS 525 N 0.50 0.58 -0.02 1.92 1.57 -1.06 -0.71 116.57 119.35 3k0s h LYS 525 Ca 0.12 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 3k0s h LYS 525 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3k0s h LYS 525 CO 0.00 0.43 -0.77 0.37 -0.57 0.00 0.00 179.45 178.91 3k0s h GLN 526 N 0.59 0.20 -0.17 3.15 4.15 -1.03 -1.28 115.11 120.72 3k0s h GLN 526 Ca 0.15 -0.18 -0.21 0.00 0.77 0.00 0.00 58.65 59.18 3k0s h GLN 526 Cb 0.01 0.04 0.01 0.00 0.21 0.00 0.00 27.48 27.75 3k0s h GLN 526 CO -0.03 0.87 -0.72 -0.07 -1.93 0.00 0.00 178.83 176.95 3k0s h LEU 527 N 0.12 0.92 -0.24 -2.39 3.38 -0.71 -1.04 115.31 115.35 3k0s h LEU 527 Ca -0.03 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 3k0s h LEU 527 Cb 1.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3k0s h LEU 527 CO 0.12 1.39 0.13 0.22 0.09 0.00 0.00 178.44 180.38 3k0s h TYR 528 N 0.52 0.34 -0.72 1.13 3.20 -1.11 -1.24 116.97 119.09 3k0s h TYR 528 Ca -0.04 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.82 3k0s h TYR 528 Cb 1.35 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.48 3k0s h TYR 528 CO 0.09 0.30 0.47 0.93 -1.64 0.00 0.00 178.16 178.31 3k0s h GLU 529 N 0.28 0.95 0.00 1.82 4.39 -1.25 -2.03 114.58 118.73 3k0s h GLU 529 Ca 0.09 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 3k0s h GLU 529 Cb 0.08 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3k0s h GLU 529 CO -0.01 0.63 -0.14 1.49 -1.16 0.00 0.00 179.01 179.82 3k0s h GLU 530 N 0.97 0.00 -0.13 2.33 4.81 -0.32 -0.45 114.58 121.80 3k0s h GLU 530 Ca 0.26 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3k0s h GLU 530 Cb -0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3k0s h GLU 530 CO -0.06 0.14 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.07 3k0s h LEU 531 N 0.00 0.22 -0.36 1.64 3.38 -0.49 -2.36 115.31 117.35 3k0s h LEU 531 Ca -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3k0s h LEU 531 Cb 0.34 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3k0s h LEU 531 CO 0.02 0.46 0.18 -0.26 0.09 0.00 0.00 178.44 178.92 3k0s h PHE 532 N 0.21 0.51 -0.48 1.13 0.04 -1.08 -1.05 116.94 116.22 3k0s h PHE 532 Ca 0.04 -0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.90 3k0s h PHE 532 Cb 0.52 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3k0s h PHE 532 CO 0.01 0.43 0.34 -0.44 -0.60 0.00 0.00 178.31 178.04 3k0s h ASP 533 N 0.44 0.11 0.50 2.17 3.32 -1.26 -0.77 116.42 120.92 3k0s h ASP 533 Ca 0.12 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.88 3k0s h ASP 533 Cb 0.11 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3k0s h ASP 533 CO -0.02 0.06 -1.59 -0.07 -1.72 0.00 0.00 179.24 175.91 3k0s h LEU 534 N 0.12 0.20 0.21 1.55 3.38 -1.03 -3.38 115.31 116.35 3k0s h LEU 534 Ca 0.23 -0.33 -0.28 0.00 0.09 0.00 0.00 57.88 57.59 3k0s h LEU 534 Cb 0.75 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.47 3k0s h LEU 534 CO -0.03 1.28 -1.22 -0.07 0.09 0.00 0.00 178.44 178.50 3k0s h LEU 535 N 0.03 0.71 -1.01 1.67 3.38 -0.92 -3.39 115.31 115.79 3k0s h LEU 535 Ca -0.25 -0.93 0.13 0.00 0.09 0.00 0.00 57.88 56.92 3k0s h LEU 535 Cb 1.98 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 42.42 3k0s h LEU 535 CO 0.12 1.59 0.63 -0.07 0.09 0.00 0.00 178.44 180.80 3k0s h LEU 536 N -0.05 0.92 -1.22 1.67 3.38 -1.32 -0.95 115.31 117.74 3k0s h LEU 536 Ca -0.21 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3k0s h LEU 536 Cb 1.96 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.58 3k0s h LEU 536 CO 0.23 0.47 0.35 -0.65 0.09 0.00 0.00 178.44 178.93 3k0s h PRO 537 N 0.98 0.00 -0.27 1.13 0.11 -1.77 0.68 132.00 132.86 3k0s h PRO 537 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3k0s h PRO 537 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3k0s h PRO 537 CO -0.28 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.23 3k0s n HIS 538 N -2.37 0.35 -0.22 0.65 8.25 -0.36 -4.70 115.22 116.82 3k0s n HIS 538 Ca -0.01 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 3k0s n HIS 538 Cb 0.38 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.55 3k0s n HIS 538 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3k0s h LEU 539 N 2.29 -0.53 -0.08 2.41 5.85 -0.93 -0.50 115.31 123.82 3k0s h LEU 539 Ca 0.00 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3k0s h LEU 539 Cb 0.68 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3k0s h LEU 539 CO 0.00 -0.20 -0.11 -0.08 -0.34 0.00 0.00 178.44 177.72 3k0s h GLU 540 N 0.02 -0.14 -0.12 1.25 4.81 -1.84 -0.02 114.58 118.55 3k0s h GLU 540 Ca 0.32 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3k0s h GLU 540 Cb 0.49 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3k0s h GLU 540 CO -0.64 -0.09 -0.19 0.00 -0.73 0.00 0.00 179.01 177.36 3k0s h ALA 541 N 0.90 1.46 -0.13 2.92 0.00 -1.78 -1.73 119.26 120.89 3k0s h ALA 541 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3k0s h ALA 541 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3k0s h ALA 541 CO -0.17 0.38 0.05 -0.07 0.00 0.00 0.00 179.25 179.44 3k0s h LEU 542 N 0.19 0.19 -0.56 0.00 3.38 -0.37 -1.54 115.31 116.59 3k0s h LEU 542 Ca 0.03 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3k0s h LEU 542 Cb 0.45 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3k0s h LEU 542 CO 0.03 0.33 0.37 1.56 0.09 0.00 0.00 178.44 180.82 3k0s h GLN 543 N 0.04 0.74 -0.75 1.13 4.20 -0.77 0.14 115.11 119.84 3k0s h GLN 543 Ca 0.04 -0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.84 3k0s h GLN 543 Cb 0.20 -0.17 -0.09 0.00 0.30 0.00 0.00 27.48 27.73 3k0s h GLN 543 CO -0.00 0.49 0.33 1.96 -0.67 0.00 0.00 178.83 180.94 3k0s h GLN 544 N 0.77 0.49 0.35 1.46 1.08 -1.24 0.58 115.11 118.60 3k0s h GLN 544 Ca 0.21 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 3k0s h GLN 544 Cb -0.09 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 3k0s h GLN 544 CO -0.04 0.33 -0.17 1.03 -0.95 0.00 0.00 178.83 179.02 3k0s h SER 545 N 0.51 -0.40 -0.95 1.46 0.87 -0.10 0.29 113.55 115.23 3k0s h SER 545 Ca 0.40 -0.06 0.11 0.00 -1.23 0.00 0.00 61.79 61.01 3k0s h SER 545 Cb 0.56 0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.55 3k0s h SER 545 CO -0.36 -0.18 0.60 0.00 -0.53 0.00 0.00 176.83 176.36 3k0s h ALA 546 N -0.01 1.61 -0.05 6.23 0.00 -0.76 0.26 119.26 126.54 3k0s h ALA 546 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3k0s h ALA 546 Cb 0.44 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3k0s h ALA 546 CO 0.08 0.17 0.01 1.03 0.00 0.00 0.00 179.25 180.54 3k0s h SER 547 N 0.92 0.08 -0.60 0.00 0.87 -0.49 -0.42 113.55 113.91 3k0s h SER 547 Ca 0.46 -0.24 0.08 0.00 -1.23 0.00 0.00 61.79 60.85 3k0s h SER 547 Cb 0.48 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 3k0s h SER 547 CO -0.22 0.30 0.27 0.00 -0.53 0.00 0.00 176.83 176.65 3k0s h ALA 548 N 0.78 0.78 -0.49 6.23 0.00 0.58 -0.91 119.26 126.22 3k0s h ALA 548 Ca 0.02 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3k0s h ALA 548 Cb 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3k0s h ALA 548 CO 0.00 -0.12 -0.09 -0.07 0.00 0.00 0.00 179.25 178.97 3k0s h LEU 549 N 0.49 0.88 -0.16 0.00 3.38 -0.39 -0.28 115.31 119.23 3k0s h LEU 549 Ca 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3k0s h LEU 549 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3k0s h LEU 549 CO -0.24 1.00 0.03 0.00 0.09 0.00 0.00 178.44 179.31 3k0s h ALA 550 N 1.09 0.21 -0.35 1.53 0.00 -0.75 -1.60 119.26 119.39 3k0s h ALA 550 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3k0s h ALA 550 Cb 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3k0s h ALA 550 CO 0.04 -0.14 0.15 1.49 0.00 0.00 0.00 179.25 180.78 3k0s h GLU 551 N 0.05 0.48 -0.48 0.00 4.81 -0.93 -1.08 114.58 117.44 3k0s h GLU 551 Ca 0.05 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3k0s h GLU 551 Cb 0.28 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3k0s h GLU 551 CO 0.00 0.39 0.08 -0.07 -0.73 0.00 0.00 179.01 178.68 3k0s h LEU 552 N 0.48 0.75 -0.46 1.64 3.38 -0.90 -0.92 115.31 119.28 3k0s h LEU 552 Ca 0.12 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3k0s h LEU 552 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3k0s h LEU 552 CO -0.01 0.82 0.27 -0.78 0.09 0.00 0.00 178.44 178.83 3k0s h ASP 553 N 0.66 0.43 0.37 -0.43 3.58 -0.48 0.22 116.42 120.76 3k0s h ASP 553 Ca 0.14 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 3k0s h ASP 553 Cb 0.39 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.36 3k0s h ASP 553 CO 0.01 0.31 -0.18 0.58 -2.88 0.00 0.00 179.24 177.08 3k0s h VAL 554 N 0.54 0.65 -0.63 2.25 2.07 -1.07 -1.75 116.25 118.31 3k0s h VAL 554 Ca 0.19 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3k0s h VAL 554 Cb 0.03 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3k0s h VAL 554 CO -0.09 0.04 0.30 -0.07 0.02 0.00 0.00 177.57 177.77 3k0s h LEU 555 N -0.59 0.83 -0.56 2.57 3.38 -1.04 0.26 115.31 120.15 3k0s h LEU 555 Ca -0.05 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3k0s h LEU 555 Cb 0.44 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3k0s h LEU 555 CO 0.08 0.73 0.34 0.58 0.09 0.00 0.00 178.44 180.26 3k0s h VAL 556 N 0.87 1.17 -0.71 1.22 2.07 -0.98 0.15 116.25 120.03 3k0s h VAL 556 Ca 0.22 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3k0s h VAL 556 Cb 0.13 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3k0s h VAL 556 CO -0.03 0.17 0.30 -1.13 0.02 0.00 0.00 177.57 176.90 3k0s h ASN 557 N 0.75 0.98 -0.72 0.57 -1.24 -1.05 -1.56 115.58 113.32 3k0s h ASN 557 Ca 0.20 -0.17 -0.06 0.00 0.71 0.00 0.00 56.30 56.98 3k0s h ASN 557 Cb -0.01 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.75 3k0s h ASN 557 CO -0.04 0.87 0.21 -0.07 -1.29 0.00 0.00 177.43 177.12 3k0s h LEU 558 N 1.02 1.06 -0.55 0.34 3.38 -0.46 -0.10 115.31 120.01 3k0s h LEU 558 Ca 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3k0s h LEU 558 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3k0s h LEU 558 CO -0.02 0.99 0.30 0.00 0.09 0.00 0.00 178.44 179.80 3k0s h ALA 559 N 1.14 0.70 -0.64 1.53 0.00 -0.67 0.15 119.26 121.47 3k0s h ALA 559 Ca 0.23 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3k0s h ALA 559 Cb 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3k0s h ALA 559 CO -0.01 0.22 0.20 1.49 0.00 0.00 0.00 179.25 181.15 3k0s h GLU 560 N 0.74 1.00 0.03 0.00 4.22 -1.02 -1.74 114.58 117.80 3k0s h GLU 560 Ca 0.19 -0.22 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 3k0s h GLU 560 Cb 0.04 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3k0s h GLU 560 CO -0.03 0.88 -0.01 0.00 -2.18 0.00 0.00 179.01 177.66 3k0s h ARG 561 N 0.92 -0.04 -0.78 1.92 2.47 -0.75 0.10 114.38 118.22 3k0s h ARG 561 Ca 0.21 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 59.05 3k0s h ARG 561 Cb 0.30 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.54 3k0s h ARG 561 CO -0.01 0.06 0.37 0.00 0.56 0.00 0.00 179.97 180.96 3k0s h ALA 562 N 0.83 1.11 0.37 0.04 0.00 -0.83 0.43 119.26 121.22 3k0s h ALA 562 Ca -0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3k0s h ALA 562 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3k0s h ALA 562 CO 0.01 -0.10 -0.18 -0.92 0.00 0.00 0.00 179.25 178.06 3k0s h TYR 563 N 0.57 -0.46 -0.67 0.00 3.20 -1.11 0.13 116.97 118.64 3k0s h TYR 563 Ca 0.41 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.25 3k0s h TYR 563 Cb 0.54 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 3k0s h TYR 563 CO -0.12 -0.14 0.33 1.15 -1.64 0.00 0.00 178.16 177.75 3k0s h THR 564 N -0.95 1.22 -0.19 1.81 2.02 -0.60 -2.63 112.91 113.60 3k0s h THR 564 Ca -0.05 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3k0s h THR 564 Cb 0.53 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3k0s h THR 564 CO 0.08 0.26 0.00 0.18 0.37 0.00 0.00 175.52 176.41 3k0s n LEU 565 N -4.47 1.74 -3.24 2.58 4.77 0.15 -4.97 117.00 113.56 3k0s n LEU 565 Ca 0.05 -0.74 -0.13 0.00 -0.03 0.00 0.00 56.01 55.16 3k0s n LEU 565 Cb 0.12 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3k0s n LEU 565 CO 0.38 0.37 0.10 -3.20 -1.33 0.00 0.00 177.39 173.71 3k0s n ASN 566 N 0.38 -6.83 -4.90 -1.43 5.15 -0.93 -5.00 115.26 101.70 3k0s n ASN 566 Ca 0.16 -0.58 -0.21 0.00 -0.60 0.00 0.00 54.58 53.35 3k0s n ASN 566 Cb 0.33 -5.08 -0.03 0.00 -0.53 0.00 0.00 39.78 34.47 3k0s n ASN 566 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3k0s s TYR 567 N -3.30 3.25 0.23 1.20 2.02 0.42 -4.58 117.35 116.59 3k0s s TYR 567 Ca 0.35 -0.09 0.10 0.00 -0.37 0.00 0.00 57.07 57.06 3k0s s TYR 567 Cb -0.05 -1.53 -0.05 0.00 -0.40 0.00 0.00 41.96 39.93 3k0s s TYR 567 CO 0.75 0.44 -0.18 -0.08 -1.57 0.00 0.00 175.55 174.91 3k0s s THR 568 N -2.08 2.11 -0.07 -0.71 -1.32 0.32 -4.79 115.64 109.10 3k0s s THR 568 Ca 0.34 -2.24 -0.27 0.00 -1.21 0.00 0.00 61.69 58.32 3k0s s THR 568 Cb -0.08 -2.13 -0.03 0.00 -1.51 0.00 0.00 72.50 68.75 3k0s s THR 568 CO 0.27 -0.43 0.86 0.00 -2.21 0.00 0.00 174.62 173.11 3k0s s PRO 570 N 1.30 3.63 0.17 0.00 0.02 -1.26 -4.65 135.00 134.21 3k0s s PRO 570 Ca 0.44 0.39 0.10 0.00 0.02 0.00 0.00 61.00 61.94 3k0s s PRO 570 Cb -0.19 -2.33 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 3k0s s PRO 570 CO 0.20 -0.21 -0.16 0.95 -0.33 0.00 0.00 177.00 177.45 3k0s s THR 571 N -2.70 2.87 -0.20 0.99 -4.23 -0.17 -5.02 115.64 107.17 3k0s s THR 571 Ca 0.50 -1.72 -0.06 0.00 -1.18 0.00 0.00 61.69 59.23 3k0s s THR 571 Cb -0.10 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 3k0s s THR 571 CO 0.42 -0.06 0.02 -0.36 -0.54 0.00 0.00 174.62 174.10 3k0s s PHE 572 N -1.54 3.08 0.45 3.99 0.08 -1.26 -1.12 117.98 121.65 3k0s s PHE 572 Ca 0.22 -0.36 0.08 0.00 0.12 0.00 0.00 56.93 57.00 3k0s s PHE 572 Cb -0.09 -2.10 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 3k0s s PHE 572 CO 0.12 -0.19 0.60 0.96 -0.10 0.00 0.00 175.22 176.62 3k0s s ILE 573 N 0.97 2.81 0.00 0.64 -4.36 -0.41 -4.91 121.20 115.95 3k0s s ILE 573 Ca 0.02 -1.02 -0.13 0.00 -0.26 0.00 0.00 60.65 59.26 3k0s s ILE 573 Cb -0.14 -2.83 -0.33 0.00 1.25 0.00 0.00 42.46 40.40 3k0s s ILE 573 CO 0.02 0.00 0.89 0.44 0.24 0.00 0.00 174.94 176.53 3k0s h ASP 574 N 0.57 0.74 -2.05 4.36 5.19 -1.97 -3.38 116.42 119.87 3k0s h ASP 574 Ca -0.38 -0.89 -0.45 0.00 -0.62 0.00 0.00 57.03 54.69 3k0s h ASP 574 Cb 1.28 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.56 3k0s h ASP 574 CO 0.45 1.72 -0.33 -0.54 -3.12 0.00 0.00 179.24 177.41 3k0s s LYS 575 N -2.60 3.22 0.46 3.56 1.02 -1.26 -4.61 119.74 119.53 3k0s s LYS 575 Ca -0.11 -0.86 -0.24 0.00 0.02 0.00 0.00 55.97 54.78 3k0s s LYS 575 Cb 0.05 -2.80 -0.08 0.00 -0.52 0.00 0.00 37.83 34.47 3k0s s LYS 575 CO 0.91 0.13 1.30 -2.30 -0.92 0.00 0.00 175.35 174.47 3k0s n PRO 576 N -1.63 1.90 0.00 -1.68 -0.02 -1.26 -3.98 135.00 128.32 3k0s n PRO 576 Ca -0.03 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3k0s n PRO 576 Cb 0.58 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3k0s n PRO 576 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k0s n GLY 577 N 0.78 3.23 2.68 -1.23 0.00 -1.26 -4.03 105.19 105.35 3k0s n GLY 577 Ca 0.07 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 3k0s n GLY 577 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k0s s ILE 578 N -2.00 -0.20 -0.27 -0.61 1.01 -0.35 -0.30 121.20 118.47 3k0s s ILE 578 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 3k0s s ILE 578 Cb 0.00 -0.62 0.03 0.00 0.01 0.00 0.00 42.46 41.88 3k0s s ILE 578 CO 0.00 -0.24 -0.00 -0.13 0.00 0.00 0.00 174.94 174.56 3k0s s ARG 579 N 2.23 2.83 -0.07 2.79 0.52 0.91 -1.09 118.95 127.06 3k0s s ARG 579 Ca 0.04 -1.00 0.05 0.00 -0.52 0.00 0.00 55.73 54.30 3k0s s ARG 579 Cb -0.16 -3.15 -0.00 0.00 0.52 0.00 0.00 34.95 32.16 3k0s s ARG 579 CO -0.10 -0.46 -0.23 0.42 0.02 0.00 0.00 175.30 174.95 3k0s s ILE 580 N 1.37 1.90 -0.19 1.52 1.01 0.49 -0.94 121.20 126.36 3k0s s ILE 580 Ca -0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 3k0s s ILE 580 Cb -0.17 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 3k0s s ILE 580 CO -0.02 0.53 -0.06 -0.89 0.00 0.00 0.00 174.94 174.50 3k0s s THR 581 N 0.12 3.34 -1.21 2.92 2.01 0.24 -1.51 115.64 121.55 3k0s s THR 581 Ca -0.10 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 3k0s s THR 581 Cb -0.15 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 3k0s s THR 581 CO 0.06 0.45 0.72 -0.62 -0.69 0.00 0.00 174.62 174.54 3k0s n GLU 582 N 4.38 -2.37 -2.54 4.92 -0.58 -1.23 -1.12 120.64 122.11 3k0s n GLU 582 Ca -0.18 0.51 -0.33 0.00 -0.42 0.00 0.00 57.16 56.74 3k0s n GLU 582 Cb 0.51 -4.53 -0.04 0.00 -0.57 0.00 0.00 31.44 26.81 3k0s n GLU 582 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3k0s s GLY 583 N -3.79 2.24 0.09 0.62 0.00 0.12 -3.39 107.32 103.20 3k0s s GLY 583 Ca 0.30 0.33 0.03 0.00 0.00 0.00 0.00 44.72 45.37 3k0s s GLY 583 CO 0.85 0.61 -0.08 0.50 0.00 0.00 0.00 173.10 174.98 3k0s s ARG 584 N -3.65 0.77 -0.45 2.90 0.52 -0.27 -1.19 118.95 117.59 3k0s s ARG 584 Ca 0.61 -1.14 -0.28 0.00 -0.52 0.00 0.00 55.73 54.40 3k0s s ARG 584 Cb -0.11 -0.35 0.03 0.00 0.52 0.00 0.00 34.95 35.04 3k0s s ARG 584 CO 0.24 0.03 1.09 -1.58 0.02 0.00 0.00 175.30 175.10 3k0s s HIS 585 N -2.69 2.89 0.56 -0.53 5.65 -1.26 -4.78 115.29 115.13 3k0s s HIS 585 Ca 0.05 0.74 0.25 0.00 0.25 0.00 0.00 55.06 56.35 3k0s s HIS 585 Cb -0.01 -4.22 1.57 0.00 -1.18 0.00 0.00 32.58 28.73 3k0s s HIS 585 CO -0.02 -1.15 2.13 -1.00 -0.65 0.00 0.00 174.74 174.05 3k0s h PRO 586 N 9.00 0.00 0.00 2.88 0.13 -1.92 -0.65 132.00 141.44 3k0s h PRO 586 Ca -0.23 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.81 3k0s h PRO 586 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3k0s h PRO 586 CO 1.09 0.00 -0.80 0.28 -0.23 0.00 0.00 178.00 178.34 3k0s h VAL 587 N 0.00 0.36 -0.95 1.56 2.07 -1.91 -3.37 116.25 114.01 3k0s h VAL 587 Ca 0.07 -1.47 0.19 0.00 0.82 0.00 0.00 66.70 66.31 3k0s h VAL 587 Cb 0.34 0.88 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 3k0s h VAL 587 CO -0.00 0.12 0.54 0.58 0.02 0.00 0.00 177.57 178.83 3k0s h VAL 588 N -1.00 0.66 0.00 2.57 2.07 -1.91 0.28 116.25 118.92 3k0s h VAL 588 Ca -0.14 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3k0s h VAL 588 Cb 0.82 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3k0s h VAL 588 CO -0.08 0.12 -0.10 1.05 0.02 0.00 0.00 177.57 178.57 3k0s h GLU 589 N 0.66 0.00 0.05 1.57 4.11 -1.33 -0.39 114.58 119.25 3k0s h GLU 589 Ca 0.56 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.71 3k0s h GLU 589 Cb 0.90 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 3k0s h GLU 589 CO -0.41 0.10 -1.47 1.96 0.07 0.00 0.00 179.01 179.26 3k0s h GLN 590 N 0.00 0.10 0.02 1.06 1.08 -1.14 -3.39 115.11 112.84 3k0s h GLN 590 Ca -0.00 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3k0s h GLN 590 Cb 0.29 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3k0s h GLN 590 CO 0.01 0.88 -0.01 0.28 -0.95 0.00 0.00 178.83 179.05 3k0s h VAL 591 N 0.03 1.33 -2.00 -0.54 2.07 -0.88 -3.46 116.25 112.79 3k0s h VAL 591 Ca -0.20 -1.89 -0.63 0.00 0.82 0.00 0.00 66.70 64.80 3k0s h VAL 591 Cb 1.95 2.46 0.11 0.00 -1.52 0.00 0.00 31.29 34.29 3k0s h VAL 591 CO 0.12 0.43 -0.12 0.18 0.02 0.00 0.00 177.57 178.20 3k0s n LEU 592 N -4.69 0.69 -1.39 2.57 4.77 -0.19 -4.88 117.00 113.87 3k0s n LEU 592 Ca -0.08 1.14 0.09 0.00 -0.03 0.00 0.00 56.01 57.13 3k0s n LEU 592 Cb 0.35 -1.17 0.32 0.00 -2.33 0.00 0.00 43.42 40.60 3k0s n LEU 592 CO 0.26 -2.03 0.78 0.59 -1.33 0.00 0.00 177.39 175.67 3k0s n ASN 593 N 1.46 4.49 -4.35 -1.43 3.02 -1.26 -4.91 115.26 112.28 3k0s n ASN 593 Ca 0.12 -2.51 -0.18 0.00 -0.03 0.00 0.00 54.58 51.98 3k0s n ASN 593 Cb 0.30 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.83 3k0s n ASN 593 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3k0s s GLU 594 N -1.95 1.37 0.38 3.52 -1.05 -1.26 -5.13 118.70 114.58 3k0s s GLU 594 Ca 0.47 -1.68 -0.28 0.00 -0.15 0.00 0.00 54.97 53.33 3k0s s GLU 594 Cb 0.31 -0.84 -0.11 0.00 -0.44 0.00 0.00 34.13 33.05 3k0s s GLU 594 CO 0.21 -0.01 1.42 -2.30 0.95 0.00 0.00 175.26 175.53 3k0s n PRO 595 N -0.44 2.44 -3.24 -4.83 -0.02 -1.26 -4.97 135.00 122.67 3k0s n PRO 595 Ca -0.06 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.89 3k0s n PRO 595 Cb 0.63 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 3k0s n PRO 595 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k0s s PHE 596 N -1.13 3.51 -0.62 6.00 2.19 -1.26 -5.02 117.98 121.65 3k0s s PHE 596 Ca 0.55 0.96 -0.26 0.00 0.33 0.00 0.00 56.93 58.51 3k0s s PHE 596 Cb -0.50 -2.63 0.04 0.00 -1.31 0.00 0.00 43.02 38.62 3k0s s PHE 596 CO 0.62 0.12 1.12 0.42 1.83 0.00 0.00 175.22 179.32 3k0s s ILE 597 N 0.80 4.08 0.57 3.12 -1.09 -1.26 -5.02 121.20 122.40 3k0s s ILE 597 Ca 0.28 0.44 -0.19 0.00 -2.23 0.00 0.00 60.65 58.95 3k0s s ILE 597 Cb -0.16 -4.72 -0.04 0.00 -1.58 0.00 0.00 42.46 35.96 3k0s s ILE 597 CO 0.12 -1.43 1.20 0.00 -1.23 0.00 0.00 174.94 173.61 3k0s s ALA 598 N 4.76 2.62 0.02 9.38 0.00 -1.26 -4.89 121.76 132.39 3k0s s ALA 598 Ca 0.35 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3k0s s ALA 598 Cb -0.10 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3k0s s ALA 598 CO 0.19 -1.08 -0.03 -0.80 0.00 0.00 0.00 175.76 174.05 3k0s s ASN 599 N -1.55 0.23 0.62 0.00 0.01 -0.34 -4.80 114.94 109.12 3k0s s ASN 599 Ca 0.75 -0.45 -0.09 0.00 -0.71 0.00 0.00 52.86 52.36 3k0s s ASN 599 Cb -0.30 0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.44 3k0s s ASN 599 CO 0.33 -0.27 0.99 -2.16 -1.51 0.00 0.00 177.10 174.48 3k0s s PRO 600 N -1.32 3.17 -0.14 -0.60 0.05 -1.26 0.11 135.00 135.01 3k0s s PRO 600 Ca -0.14 0.39 -0.12 0.00 0.05 0.00 0.00 61.00 61.17 3k0s s PRO 600 Cb -0.09 -2.15 0.04 0.00 0.05 0.00 0.00 34.50 32.35 3k0s s PRO 600 CO -0.01 -0.71 0.36 -1.17 0.05 0.00 0.00 177.00 175.53 3k0s s LEU 601 N -5.13 0.57 -0.24 -3.56 2.96 -0.57 -4.94 118.68 107.77 3k0s s LEU 601 Ca 0.55 0.74 -0.03 0.00 -0.22 0.00 0.00 54.13 55.16 3k0s s LEU 601 Cb -0.11 1.25 0.08 0.00 0.50 0.00 0.00 46.19 47.91 3k0s s LEU 601 CO 0.50 -0.13 0.09 0.21 -1.32 0.00 0.00 176.35 175.70 3k0s s ASN 602 N 0.28 3.16 -0.05 3.68 2.47 -1.25 -0.38 114.94 122.85 3k0s s ASN 602 Ca -0.01 -1.06 0.05 0.00 0.42 0.00 0.00 52.86 52.27 3k0s s ASN 602 Cb -0.03 -0.47 -0.01 0.00 -1.45 0.00 0.00 41.25 39.29 3k0s s ASN 602 CO -0.00 -0.38 -0.22 -0.76 -3.72 0.00 0.00 177.10 172.02 3k0s s LEU 603 N 1.97 2.01 0.31 3.21 1.43 -0.25 -4.93 118.68 122.43 3k0s s LEU 603 Ca 0.05 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3k0s s LEU 603 Cb -0.16 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 3k0s s LEU 603 CO -0.21 0.21 0.45 -0.94 0.23 0.00 0.00 176.35 176.10 3k0s s SER 604 N -0.12 0.65 0.65 2.29 1.04 -0.17 -1.21 113.70 116.82 3k0s s SER 604 Ca -0.03 -1.36 0.42 0.00 0.48 0.00 0.00 55.95 55.46 3k0s s SER 604 Cb -0.12 0.63 2.29 0.00 0.10 0.00 0.00 66.02 68.92 3k0s s SER 604 CO 0.03 -1.24 2.34 -0.65 0.98 0.00 0.00 173.24 174.70 3k0s h PRO 605 N 2.18 0.00 0.00 4.02 0.11 -1.97 -2.26 132.00 134.07 3k0s h PRO 605 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3k0s h PRO 605 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k0s h PRO 605 CO 0.39 0.00 -1.69 1.04 -0.21 0.00 0.00 178.00 177.54 3k0s n GLN 606 N -3.18 0.64 -3.48 1.05 3.00 -1.26 -4.53 117.38 109.62 3k0s n GLN 606 Ca -0.03 -0.07 -0.27 0.00 -0.01 0.00 0.00 57.00 56.63 3k0s n GLN 606 Cb 0.09 -1.63 -0.10 0.00 0.00 0.00 0.00 30.24 28.60 3k0s n GLN 606 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3k0s n ARG 607 N -2.44 1.11 -0.00 -1.09 0.63 -0.91 -4.14 116.66 109.81 3k0s n ARG 607 Ca -0.04 -3.77 0.08 0.00 -0.92 0.00 0.00 57.85 53.20 3k0s n ARG 607 Cb 0.61 -1.82 -0.11 0.00 0.45 0.00 0.00 32.46 31.58 3k0s n ARG 607 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3k0s n ARG 608 N 1.97 0.99 -4.09 -0.14 1.85 -0.77 -1.00 116.66 115.47 3k0s n ARG 608 Ca 0.25 -0.08 -0.25 0.00 -1.00 0.00 0.00 57.85 56.78 3k0s n ARG 608 Cb 0.45 -1.35 -0.17 0.00 -1.05 0.00 0.00 32.46 30.33 3k0s n ARG 608 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 3k0s s MET 609 N -2.89 1.38 -0.20 2.89 0.00 -0.65 0.02 119.30 119.84 3k0s s MET 609 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 55.69 55.40 3k0s s MET 609 Cb 0.12 -1.38 -0.03 0.00 0.00 0.00 0.00 34.83 33.54 3k0s s MET 609 CO 0.71 -0.17 0.01 -0.51 0.00 0.00 0.00 175.02 175.06 3k0s s LEU 610 N 1.38 3.33 -0.26 4.11 1.43 -0.06 -1.02 118.68 127.58 3k0s s LEU 610 Ca -0.02 -0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.67 3k0s s LEU 610 Cb -0.14 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 3k0s s LEU 610 CO -0.04 0.06 0.79 -0.63 0.23 0.00 0.00 176.35 176.76 3k0s s ILE 611 N 1.01 4.85 -0.32 -0.59 -1.09 0.23 -0.70 121.20 124.58 3k0s s ILE 611 Ca 0.02 1.40 -0.09 0.00 -2.23 0.00 0.00 60.65 59.75 3k0s s ILE 611 Cb -0.14 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 3k0s s ILE 611 CO 0.02 -0.11 0.14 -0.63 -1.23 0.00 0.00 174.94 173.14 3k0s s ILE 612 N 2.82 4.43 0.56 2.92 1.01 0.70 -1.78 121.20 131.86 3k0s s ILE 612 Ca 0.33 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.44 3k0s s ILE 612 Cb -0.15 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.05 3k0s s ILE 612 CO 0.09 0.01 0.37 0.42 0.00 0.00 0.00 174.94 175.83 3k0s s THR 613 N 1.57 1.49 0.00 2.92 -4.23 -0.84 -1.82 115.64 114.72 3k0s s THR 613 Ca 0.03 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 3k0s s THR 613 Cb -0.18 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.63 3k0s s THR 613 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3k0s n GLY 614 N -1.75 3.32 3.65 3.99 0.00 -1.26 -0.87 105.19 112.27 3k0s n GLY 614 Ca -0.04 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 3k0s n GLY 614 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k0s s PRO 615 N -2.47 0.09 0.37 1.61 0.02 -1.26 -4.89 135.00 128.46 3k0s s PRO 615 Ca 0.00 0.44 -0.28 0.00 0.02 0.00 0.00 61.00 61.18 3k0s s PRO 615 Cb 0.00 -1.70 -0.11 0.00 0.02 0.00 0.00 34.50 32.71 3k0s s PRO 615 CO 0.00 -2.95 1.46 -0.80 -0.33 0.00 0.00 177.00 174.38 3k0s s ASN 616 N -3.45 6.38 -0.22 2.53 0.01 -1.26 -2.31 114.94 116.62 3k0s s ASN 616 Ca 0.66 2.99 0.00 0.00 -0.71 0.00 0.00 52.86 55.80 3k0s s ASN 616 Cb -0.18 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 38.81 3k0s s ASN 616 CO 0.58 -0.84 0.00 0.23 -1.51 0.00 0.00 177.10 175.56 3k0s n MET 617 N 0.46 -0.83 0.14 -0.60 2.81 -1.26 -4.91 117.12 112.94 3k0s n MET 617 Ca 0.01 0.35 0.01 0.00 -1.81 0.00 0.00 57.70 56.27 3k0s n MET 617 Cb 0.40 -4.07 0.13 0.00 -0.71 0.00 0.00 33.22 28.97 3k0s n MET 617 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3k0s h GLY 618 N 0.00 0.00 0.00 3.03 0.00 -1.80 -3.47 103.07 100.82 3k0s h GLY 618 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3k0s h GLY 618 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 3k0s n GLY 619 N 0.76 1.49 0.18 4.60 0.00 -1.26 -3.97 105.19 106.99 3k0s n GLY 619 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3k0s n GLY 619 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k0s h LYS 620 N 0.06 0.26 -0.20 1.61 1.57 -1.91 -0.65 116.57 117.31 3k0s h LYS 620 Ca 0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3k0s h LYS 620 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3k0s h LYS 620 CO 0.00 0.17 -0.02 1.03 -0.57 0.00 0.00 179.45 180.06 3k0s h SER 621 N 0.27 0.37 -0.68 0.86 0.87 -1.98 -2.11 113.55 111.15 3k0s h SER 621 Ca 0.21 -0.33 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 3k0s h SER 621 Cb 0.24 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 3k0s h SER 621 CO -0.25 0.62 0.41 0.74 -0.53 0.00 0.00 176.83 177.82 3k0s h THR 622 N 0.12 1.06 -1.01 2.23 2.02 -1.95 -0.76 112.91 114.62 3k0s h THR 622 Ca 0.06 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 66.99 3k0s h THR 622 Cb 0.44 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 3k0s h THR 622 CO 0.01 0.14 0.66 0.22 0.37 0.00 0.00 175.52 176.93 3k0s h TYR 623 N 0.79 1.25 -0.15 3.16 3.20 -0.95 0.74 116.97 125.01 3k0s h TYR 623 Ca 0.28 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.99 3k0s h TYR 623 Cb 0.07 -0.42 0.00 0.00 1.54 0.00 0.00 36.73 37.92 3k0s h TYR 623 CO -0.05 0.75 -0.70 0.52 -1.64 0.00 0.00 178.16 177.04 3k0s h MET 624 N 1.32 0.62 -0.23 1.82 2.86 -0.83 -2.81 114.93 117.67 3k0s h MET 624 Ca 0.39 -0.47 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 3k0s h MET 624 Cb -0.07 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3k0s h MET 624 CO -0.11 1.09 -0.07 0.00 1.06 0.00 0.00 176.91 178.88 3k0s h ARG 625 N 0.44 0.46 -0.05 1.72 3.08 -0.75 -3.05 114.38 116.24 3k0s h ARG 625 Ca -0.03 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3k0s h ARG 625 Cb 1.29 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 3k0s h ARG 625 CO 0.13 0.71 -0.07 -0.56 -1.07 0.00 0.00 179.97 179.11 3k0s h GLN 626 N 0.19 0.07 -0.21 0.04 3.07 -0.85 -0.35 115.11 117.07 3k0s h GLN 626 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 3k0s h GLN 626 Cb 0.55 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 3k0s h GLN 626 CO 0.03 0.15 0.11 1.15 0.09 0.00 0.00 178.83 180.35 3k0s h THR 627 N 0.07 1.12 -0.34 1.86 2.02 -1.41 0.25 112.91 116.49 3k0s h THR 627 Ca 0.02 -0.34 -0.17 0.00 0.77 0.00 0.00 66.41 66.68 3k0s h THR 627 Cb 0.17 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3k0s h THR 627 CO 0.01 0.12 -0.46 0.00 0.37 0.00 0.00 175.52 175.56 3k0s h ALA 628 N 0.98 0.54 -0.60 6.16 0.00 -1.25 -1.79 119.26 123.31 3k0s h ALA 628 Ca 0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3k0s h ALA 628 Cb 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3k0s h ALA 628 CO -0.01 0.68 0.30 -0.07 0.00 0.00 0.00 179.25 180.15 3k0s h LEU 629 N 0.71 0.77 -0.69 0.00 3.38 -0.98 0.30 115.31 118.80 3k0s h LEU 629 Ca 0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3k0s h LEU 629 Cb 1.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3k0s h LEU 629 CO 0.11 0.67 0.31 0.40 0.09 0.00 0.00 178.44 180.02 3k0s h ILE 630 N 0.81 1.23 0.07 1.22 2.04 -0.85 0.23 117.51 122.26 3k0s h ILE 630 Ca 0.21 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3k0s h ILE 630 Cb 0.09 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3k0s h ILE 630 CO -0.03 0.28 -0.03 0.00 0.00 0.00 0.00 178.15 178.37 3k0s h ALA 631 N 1.14 -0.09 -0.34 1.87 0.00 -1.03 -1.20 119.26 119.61 3k0s h ALA 631 Ca 0.23 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3k0s h ALA 631 Cb 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3k0s h ALA 631 CO -0.03 -0.50 -0.04 1.25 0.00 0.00 0.00 179.25 179.93 3k0s h LEU 632 N -0.18 -0.23 -0.44 0.00 6.46 0.01 -1.37 115.31 119.54 3k0s h LEU 632 Ca -0.01 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 3k0s h LEU 632 Cb 0.16 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 3k0s h LEU 632 CO 0.01 -0.08 0.15 0.24 -0.62 0.00 0.00 178.44 178.15 3k0s h MET 633 N 0.04 0.68 -0.84 1.25 2.86 -0.43 -1.09 114.93 117.41 3k0s h MET 633 Ca 0.17 -0.14 0.12 0.00 -2.06 0.00 0.00 59.70 57.78 3k0s h MET 633 Cb 0.24 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 3k0s h MET 633 CO -0.32 0.65 0.54 0.00 1.06 0.00 0.00 176.91 178.85 3k0s h ALA 634 N 1.00 1.79 -0.33 6.32 0.00 -0.85 -1.96 119.26 125.23 3k0s h ALA 634 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k0s h ALA 634 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3k0s h ALA 634 CO -0.01 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.92 3k0s n TYR 635 N -4.53 0.46 0.07 0.00 4.01 -0.44 -2.29 117.16 114.43 3k0s n TYR 635 Ca 0.15 -0.22 0.05 0.00 -0.16 0.00 0.00 57.90 57.72 3k0s n TYR 635 Cb 0.39 -0.01 0.10 0.00 -0.31 0.00 0.00 39.34 39.51 3k0s n TYR 635 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 3k0s n ILE 636 N 0.45 0.62 -0.63 -0.72 -5.35 -0.78 -0.81 119.36 112.13 3k0s n ILE 636 Ca 0.11 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 3k0s n ILE 636 Cb 0.30 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 3k0s n ILE 636 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k0s n GLY 637 N 0.50 0.79 3.85 3.28 0.00 -0.97 -4.98 105.19 107.66 3k0s n GLY 637 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3k0s n GLY 637 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k0s s SER 638 N -2.77 5.50 0.83 1.61 0.15 -0.97 -3.59 113.70 114.47 3k0s s SER 638 Ca 0.00 1.37 -0.12 0.00 0.70 0.00 0.00 55.95 57.90 3k0s s SER 638 Cb 0.00 -2.26 0.09 0.00 -1.71 0.00 0.00 66.02 62.14 3k0s s SER 638 CO 0.00 -1.33 1.13 -0.31 1.20 0.00 0.00 173.24 173.92 3k0s s TYR 639 N -3.19 2.80 0.11 3.44 1.51 -1.26 -4.35 117.35 116.41 3k0s s TYR 639 Ca 0.58 0.96 0.06 0.00 -1.01 0.00 0.00 57.07 57.66 3k0s s TYR 639 Cb -0.12 -3.28 -0.04 0.00 -0.11 0.00 0.00 41.96 38.41 3k0s s TYR 639 CO 0.54 -1.92 -0.16 0.14 -1.11 0.00 0.00 175.55 173.04 3k0s s VAL 640 N -3.30 1.40 -1.19 0.71 -7.23 0.82 -4.77 120.40 106.84 3k0s s VAL 640 Ca 0.62 -1.61 -0.18 0.00 -1.81 0.00 0.00 61.98 58.99 3k0s s VAL 640 Cb -0.14 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 3k0s s VAL 640 CO 0.53 -0.30 2.04 -0.81 -0.31 0.00 0.00 175.10 176.25 3k0s n PRO 641 N 0.78 2.35 -3.96 4.82 -0.04 -1.26 -0.53 135.00 137.16 3k0s n PRO 641 Ca -0.17 -2.43 -0.10 0.00 -0.04 0.00 0.00 63.50 60.76 3k0s n PRO 641 Cb 0.56 -3.23 -0.03 0.00 -0.04 0.00 0.00 33.50 30.76 3k0s n PRO 641 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k0s s ALA 642 N 4.59 -0.23 -0.15 0.55 0.00 -1.26 -1.11 121.76 124.15 3k0s s ALA 642 Ca 0.53 -0.94 0.16 0.00 0.00 0.00 0.00 51.96 51.72 3k0s s ALA 642 Cb 0.12 0.98 -0.02 0.00 0.00 0.00 0.00 23.12 24.19 3k0s s ALA 642 CO 0.02 -0.89 1.16 0.37 0.00 0.00 0.00 175.76 176.42 3k0s h GLN 643 N 2.13 0.00 -1.48 0.00 4.15 -1.13 -3.32 115.11 115.45 3k0s h GLN 643 Ca -0.27 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.24 3k0s h GLN 643 Cb 1.25 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 28.66 3k0s h GLN 643 CO 0.36 0.37 0.55 0.21 -1.93 0.00 0.00 178.83 178.38 3k0s s LYS 644 N -2.98 0.40 -0.04 1.69 2.20 -1.17 -4.95 119.74 114.90 3k0s s LYS 644 Ca 0.01 0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 3k0s s LYS 644 Cb 0.08 0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.63 3k0s s LYS 644 CO 0.78 -0.05 0.08 0.08 -0.36 0.00 0.00 175.35 175.88 3k0s s VAL 645 N 0.20 -0.08 -0.12 4.02 1.01 -1.26 -0.59 120.40 123.58 3k0s s VAL 645 Ca 0.04 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3k0s s VAL 645 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 3k0s s VAL 645 CO -0.08 0.10 -0.17 -1.61 0.00 0.00 0.00 175.10 173.33 3k0s s GLU 646 N 1.32 3.24 -0.02 2.72 2.02 -0.11 -1.00 118.70 126.86 3k0s s GLU 646 Ca -0.07 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.16 3k0s s GLU 646 Cb -0.12 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.63 3k0s s GLU 646 CO -0.04 0.19 0.00 -1.50 0.02 0.00 0.00 175.26 173.93 3k0s s ILE 647 N 0.38 0.13 0.34 -1.63 2.07 -0.28 -0.07 121.20 122.15 3k0s s ILE 647 Ca -0.14 0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.14 3k0s s ILE 647 Cb -0.17 -0.22 0.08 0.00 0.13 0.00 0.00 42.46 42.28 3k0s s ILE 647 CO 0.07 0.12 0.46 0.61 -1.91 0.00 0.00 174.94 174.29 3k0s n GLY 648 N 3.98 -0.97 3.76 1.50 0.00 0.59 -1.28 105.19 112.76 3k0s n GLY 648 Ca -0.25 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 3k0s n GLY 648 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k0s s PRO 649 N -3.95 4.48 -0.17 1.61 0.02 -1.26 -4.74 135.00 130.99 3k0s s PRO 649 Ca 0.27 1.89 0.01 0.00 0.02 0.00 0.00 61.00 63.18 3k0s s PRO 649 Cb -0.01 -3.06 0.03 0.00 0.02 0.00 0.00 34.50 31.47 3k0s s PRO 649 CO 0.19 0.04 -0.16 0.42 -0.33 0.00 0.00 177.00 177.16 3k0s s ILE 650 N -1.22 1.79 0.02 2.83 -1.09 -1.26 -4.72 121.20 117.55 3k0s s ILE 650 Ca 0.48 -0.84 0.10 0.00 -2.23 0.00 0.00 60.65 58.16 3k0s s ILE 650 Cb -0.33 -1.68 -0.16 0.00 -1.58 0.00 0.00 42.46 38.70 3k0s s ILE 650 CO 0.43 0.43 1.14 -2.24 -1.23 0.00 0.00 174.94 173.46 3k0s h ASP 651 N 7.99 0.00 -3.82 3.58 2.03 -1.62 -3.43 116.42 121.15 3k0s h ASP 651 Ca -0.39 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 55.94 3k0s h ASP 651 Cb 1.13 0.00 -0.24 0.00 -0.83 0.00 0.00 39.33 39.39 3k0s h ASP 651 CO 0.56 0.88 0.39 -0.60 -1.03 0.00 0.00 179.24 179.44 3k0s s ARG 652 N -2.75 0.66 -0.19 4.15 3.52 -1.26 -2.21 118.95 120.86 3k0s s ARG 652 Ca -0.00 0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 56.07 3k0s s ARG 652 Cb 0.09 0.32 -0.00 0.00 -1.56 0.00 0.00 34.95 33.79 3k0s s ARG 652 CO 0.81 -0.14 -0.09 0.42 -0.81 0.00 0.00 175.30 175.49 3k0s s ILE 653 N -0.30 3.01 0.01 4.11 1.01 -0.39 -1.46 121.20 127.19 3k0s s ILE 653 Ca -0.01 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3k0s s ILE 653 Cb -0.03 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3k0s s ILE 653 CO -0.01 0.47 0.00 -0.36 0.00 0.00 0.00 174.94 175.04 3k0s s PHE 654 N 1.23 3.06 -0.04 3.97 0.08 0.36 -3.76 117.98 122.88 3k0s s PHE 654 Ca 0.03 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.15 3k0s s PHE 654 Cb -0.14 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 3k0s s PHE 654 CO -0.04 0.46 -0.04 0.99 -0.10 0.00 0.00 175.22 176.49 3k0s s THR 655 N -1.12 0.49 -0.33 0.64 2.01 -1.26 -1.09 115.64 114.98 3k0s s THR 655 Ca 0.21 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 3k0s s THR 655 Cb -0.12 -0.50 0.12 0.00 0.01 0.00 0.00 72.50 72.01 3k0s s THR 655 CO 0.12 0.20 0.18 -0.60 -0.69 0.00 0.00 174.62 173.82 3k0s s ARG 656 N 0.73 0.40 -0.43 4.92 6.06 -0.04 -4.71 118.95 125.89 3k0s s ARG 656 Ca -0.09 -0.99 0.07 0.00 -2.50 0.00 0.00 55.73 52.21 3k0s s ARG 656 Cb -0.13 -1.25 0.23 0.00 0.06 0.00 0.00 34.95 33.87 3k0s s ARG 656 CO 0.00 -1.13 0.61 1.33 -2.50 0.00 0.00 175.30 173.61 3k0s n VAL 657 N 4.55 -0.54 -0.06 7.11 0.24 -1.26 -1.82 118.33 126.55 3k0s n VAL 657 Ca 0.04 -3.01 0.01 0.00 -2.04 0.00 0.00 64.34 59.34 3k0s n VAL 657 Cb 0.39 -0.75 -0.00 0.00 -1.47 0.00 0.00 33.84 32.01 3k0s n VAL 657 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 3k0s n PHE 670 N 1.81 -0.16 0.08 6.34 7.35 -1.26 -4.94 117.46 126.69 3k0s n PHE 670 Ca 0.19 0.08 0.19 0.00 -0.76 0.00 0.00 57.45 57.15 3k0s n PHE 670 Cb 0.55 -0.14 0.74 0.00 0.35 0.00 0.00 39.48 40.98 3k0s n PHE 670 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 3k0s h MET 671 N -0.06 0.00 0.01 -4.13 -1.53 -2.00 -3.14 114.93 104.09 3k0s h MET 671 Ca -0.00 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3k0s h MET 671 Cb 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.11 3k0s h MET 671 CO 0.00 0.00 -0.01 -0.39 0.14 0.00 0.00 176.91 176.65 3k0s h VAL 672 N 0.00 1.52 -0.43 -5.77 -1.51 -2.03 -1.20 116.25 106.83 3k0s h VAL 672 Ca 0.19 -1.94 0.07 0.00 -1.23 0.00 0.00 66.70 63.79 3k0s h VAL 672 Cb 0.86 2.78 -0.09 0.00 -2.13 0.00 0.00 31.29 32.70 3k0s h VAL 672 CO -0.00 0.48 -0.45 -0.08 -1.23 0.00 0.00 177.57 176.29 3k0s h GLU 673 N -0.90 -0.31 -0.56 5.19 4.81 -1.99 -0.46 114.58 120.36 3k0s h GLU 673 Ca -0.00 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3k0s h GLU 673 Cb 0.80 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3k0s h GLU 673 CO 0.00 -0.21 0.37 0.52 -0.73 0.00 0.00 179.01 178.96 3k0s h MET 674 N -0.33 0.72 -0.12 1.92 2.86 -1.58 0.11 114.93 118.52 3k0s h MET 674 Ca 0.13 -0.04 -0.22 0.00 -2.06 0.00 0.00 59.70 57.51 3k0s h MET 674 Cb 0.58 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.09 3k0s h MET 674 CO -0.59 0.48 -0.80 1.15 1.06 0.00 0.00 176.91 178.21 3k0s h THR 675 N 0.74 1.30 -0.66 2.22 2.02 -0.52 -0.73 112.91 117.29 3k0s h THR 675 Ca 0.20 -2.05 -0.07 0.00 0.77 0.00 0.00 66.41 65.26 3k0s h THR 675 Cb -0.07 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3k0s h THR 675 CO -0.05 0.64 0.13 -0.33 0.37 0.00 0.00 175.52 176.28 3k0s h GLU 676 N 0.46 1.08 -0.22 6.66 5.08 -0.53 -2.30 114.58 124.81 3k0s h GLU 676 Ca -0.06 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3k0s h GLU 676 Cb 1.42 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3k0s h GLU 676 CO 0.16 0.98 0.13 1.15 -1.00 0.00 0.00 179.01 180.43 3k0s h THR 677 N 1.00 1.10 -0.94 1.13 2.02 -0.56 -2.03 112.91 114.63 3k0s h THR 677 Ca 0.20 -0.25 0.09 0.00 0.77 0.00 0.00 66.41 67.23 3k0s h THR 677 Cb 0.41 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 3k0s h THR 677 CO 0.01 0.09 0.61 0.00 0.37 0.00 0.00 175.52 176.60 3k0s h ALA 678 N 1.03 1.56 -0.49 6.16 0.00 -1.07 -1.33 119.26 125.11 3k0s h ALA 678 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3k0s h ALA 678 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3k0s h ALA 678 CO -0.01 0.26 0.25 -0.97 0.00 0.00 0.00 179.25 178.78 3k0s h ASN 679 N 0.98 0.63 -0.23 0.00 -1.24 -0.79 0.15 115.58 115.08 3k0s h ASN 679 Ca 0.44 -0.11 0.05 0.00 0.71 0.00 0.00 56.30 57.39 3k0s h ASN 679 Cb 0.36 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 39.20 3k0s h ASN 679 CO -0.19 0.56 -0.13 0.40 -1.29 0.00 0.00 177.43 176.78 3k0s h ILE 680 N 0.65 0.62 0.00 2.57 2.04 -0.91 -1.99 117.51 120.49 3k0s h ILE 680 Ca 0.17 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 3k0s h ILE 680 Cb 0.09 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3k0s h ILE 680 CO -0.02 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.87 3k0s h LEU 681 N -0.11 0.00 0.00 1.44 3.38 -0.12 0.85 115.31 120.75 3k0s h LEU 681 Ca 0.12 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 3k0s h LEU 681 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3k0s h LEU 681 CO -0.29 0.19 -1.09 0.45 0.09 0.00 0.00 178.44 177.78 3k0s h HIS 682 N 0.00 0.00 0.00 1.13 3.86 -0.63 -3.41 115.15 116.10 3k0s h HIS 682 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3k0s h HIS 682 Cb 0.36 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 3k0s h HIS 682 CO 0.00 0.64 -1.04 0.09 0.86 0.00 0.00 177.93 178.47 3k0s n ASN 683 N -3.07 4.79 -4.76 2.45 3.02 -0.76 -5.04 115.26 111.89 3k0s n ASN 683 Ca -0.05 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.12 3k0s n ASN 683 Cb 0.84 0.97 0.02 0.00 -0.61 0.00 0.00 39.78 40.99 3k0s n ASN 683 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k0s s ALA 684 N -2.06 2.84 0.41 5.41 0.00 0.26 -5.05 121.76 123.58 3k0s s ALA 684 Ca -0.00 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.13 3k0s s ALA 684 Cb 0.01 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3k0s s ALA 684 CO 0.04 -1.08 0.10 0.25 0.00 0.00 0.00 175.76 175.07 3k0s n THR 685 N -0.90 0.00 0.29 0.00 -2.24 -1.26 -4.96 114.28 105.21 3k0s n THR 685 Ca 0.10 -2.27 0.14 0.00 -2.27 0.00 0.00 64.05 59.75 3k0s n THR 685 Cb 0.47 0.71 0.67 0.00 -2.10 0.00 0.00 70.33 70.08 3k0s n THR 685 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3k0s h GLU 686 N 0.00 0.00 -0.19 -0.78 9.09 -1.74 -0.12 114.58 120.83 3k0s h GLU 686 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.08 3k0s h GLU 686 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 3k0s h GLU 686 CO 0.53 0.00 0.00 0.66 0.05 0.00 0.00 179.01 180.25 3k0s n TYR 687 N -2.53 0.24 -3.22 2.06 4.01 -1.26 -4.29 117.16 112.18 3k0s n TYR 687 Ca -0.00 -0.12 -0.34 0.00 -0.16 0.00 0.00 57.90 57.28 3k0s n TYR 687 Cb 0.16 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 3k0s n TYR 687 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3k0s s SER 688 N -1.60 6.83 -0.26 7.72 0.01 -0.06 -1.47 113.70 124.87 3k0s s SER 688 Ca 0.34 1.22 -0.09 0.00 1.31 0.00 0.00 55.95 58.73 3k0s s SER 688 Cb 0.19 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 3k0s s SER 688 CO 0.28 -0.06 0.11 -0.22 0.41 0.00 0.00 173.24 173.76 3k0s s LEU 689 N -2.50 3.64 -0.16 2.44 2.96 -0.53 -0.90 118.68 123.63 3k0s s LEU 689 Ca 0.47 -0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 54.24 3k0s s LEU 689 Cb -0.13 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3k0s s LEU 689 CO 0.19 -0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.37 3k0s s VAL 690 N 1.65 2.88 -0.14 1.68 1.01 0.85 -0.49 120.40 127.84 3k0s s VAL 690 Ca 0.07 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3k0s s VAL 690 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3k0s s VAL 690 CO 0.06 0.50 -0.19 -0.76 0.00 0.00 0.00 175.10 174.72 3k0s s LEU 691 N 0.78 2.31 0.00 3.92 1.43 -0.25 -0.62 118.68 126.26 3k0s s LEU 691 Ca -0.05 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3k0s s LEU 691 Cb -0.15 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 3k0s s LEU 691 CO 0.01 0.10 0.04 -0.04 0.23 0.00 0.00 176.35 176.69 3k0s s MET 692 N 0.72 0.27 0.06 1.70 -1.94 -0.31 -0.86 119.30 118.94 3k0s s MET 692 Ca -0.08 -0.31 -0.08 0.00 -1.71 0.00 0.00 55.69 53.51 3k0s s MET 692 Cb -0.16 0.10 -0.00 0.00 2.01 0.00 0.00 34.83 36.79 3k0s s MET 692 CO 0.01 -0.05 0.18 1.21 -0.01 0.00 0.00 175.02 176.35 3k0s s ASN 693 N -0.91 0.10 -0.53 3.03 3.84 -0.76 -0.67 114.94 119.04 3k0s s ASN 693 Ca -0.10 -0.52 0.00 0.00 0.21 0.00 0.00 52.86 52.45 3k0s s ASN 693 Cb -0.06 0.30 0.00 0.00 -0.55 0.00 0.00 41.25 40.94 3k0s s ASN 693 CO 0.00 -0.63 0.00 -0.62 -2.79 0.00 0.00 177.10 173.06 3k0s n GLU 694 N 0.36 -1.33 -2.16 0.43 -0.58 -1.20 -4.59 120.64 111.57 3k0s n GLU 694 Ca -0.17 0.33 -0.39 0.00 -0.42 0.00 0.00 57.16 56.51 3k0s n GLU 694 Cb 0.60 -4.23 -0.01 0.00 -0.57 0.00 0.00 31.44 27.23 3k0s n GLU 694 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3k0s s ILE 695 N -1.27 2.85 0.00 -3.67 1.01 -1.26 -4.60 121.20 114.26 3k0s s ILE 695 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.40 3k0s s ILE 695 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3k0s s ILE 695 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 3k0s n GLY 696 N 0.69 0.66 3.01 6.18 0.00 -1.26 -4.81 105.19 109.66 3k0s n GLY 696 Ca 0.03 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 3k0s n GLY 696 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k0s n ARG 697 N 0.00 3.74 0.00 1.61 3.00 -1.26 -4.00 116.66 119.75 3k0s n ARG 697 Ca 0.00 -4.54 0.00 0.00 -0.01 0.00 0.00 57.85 53.30 3k0s n ARG 697 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 32.46 29.99 3k0s n ARG 697 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k0s n GLY 698 N 1.69 -1.07 0.24 -0.13 0.00 -1.26 -4.10 105.19 100.56 3k0s n GLY 698 Ca 0.25 -1.61 0.10 0.00 0.00 0.00 0.00 46.02 44.77 3k0s n GLY 698 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k0s n THR 699 N -0.64 0.00 -4.05 2.61 -2.24 -1.26 -4.83 114.28 103.87 3k0s n THR 699 Ca 0.00 -0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.59 3k0s n THR 699 Cb 0.00 1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 3k0s n THR 699 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3k0s n SER 700 N -0.72 0.81 -0.23 3.42 2.88 -1.26 -5.06 113.62 113.46 3k0s n SER 700 Ca 0.06 -1.25 -0.06 0.00 -1.33 0.00 0.00 58.87 56.30 3k0s n SER 700 Cb 0.38 0.13 0.09 0.00 -0.75 0.00 0.00 64.21 64.06 3k0s n SER 700 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3k0s h THR 701 N 1.08 1.25 0.00 2.46 2.02 -2.02 -3.37 112.91 114.34 3k0s h THR 701 Ca -0.03 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.24 3k0s h THR 701 Cb 0.14 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3k0s h THR 701 CO 0.05 0.35 0.00 -1.22 0.37 0.00 0.00 175.52 175.07 3k0s n TYR 702 N -4.25 0.00 -0.07 3.16 4.01 -1.26 -4.68 117.16 114.07 3k0s n TYR 702 Ca 0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.67 3k0s n TYR 702 Cb 0.24 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.22 3k0s n TYR 702 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3k0s h ASP 703 N 0.00 0.41 0.27 7.72 2.03 -1.96 -0.38 116.42 124.51 3k0s h ASP 703 Ca 0.00 -0.37 0.01 0.00 -0.73 0.00 0.00 57.03 55.94 3k0s h ASP 703 Cb 0.01 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.37 3k0s h ASP 703 CO 0.00 0.68 -0.37 1.23 -1.03 0.00 0.00 179.24 179.75 3k0s h GLY 704 N 0.13 -0.82 0.41 7.15 0.00 -1.81 -1.79 103.07 106.33 3k0s h GLY 704 Ca 0.05 0.44 0.15 0.00 0.00 0.00 0.00 47.33 47.97 3k0s h GLY 704 CO 0.02 -0.29 0.60 -2.00 0.00 0.00 0.00 176.54 174.87 3k0s h LEU 705 N -0.70 0.74 -0.73 3.11 5.85 -1.68 -0.57 115.31 121.32 3k0s h LEU 705 Ca -0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3k0s h LEU 705 Cb 0.67 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3k0s h LEU 705 CO -0.13 0.35 0.36 0.28 -0.34 0.00 0.00 178.44 178.97 3k0s h SER 706 N 0.77 0.96 -0.46 1.25 0.02 -0.58 0.66 113.55 116.17 3k0s h SER 706 Ca 0.49 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.23 3k0s h SER 706 Cb 0.73 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3k0s h SER 706 CO -0.26 0.82 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.16 3k0s h LEU 707 N 1.03 0.81 -0.44 5.07 3.38 -0.61 -1.89 115.31 122.65 3k0s h LEU 707 Ca 0.25 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3k0s h LEU 707 Cb 0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3k0s h LEU 707 CO -0.03 0.93 0.21 0.00 0.09 0.00 0.00 178.44 179.63 3k0s h ALA 708 N 0.91 0.55 -0.23 1.53 0.00 -0.70 0.14 119.26 121.45 3k0s h ALA 708 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3k0s h ALA 708 Cb 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3k0s h ALA 708 CO 0.03 -0.16 0.08 2.35 0.00 0.00 0.00 179.25 181.55 3k0s h TRP 709 N 0.41 0.15 -0.15 0.00 2.91 -0.81 -0.68 115.95 117.78 3k0s h TRP 709 Ca 0.19 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 60.10 3k0s h TRP 709 Cb 0.12 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 3k0s h TRP 709 CO -0.11 0.07 -0.46 0.00 -1.03 0.00 0.00 178.44 176.91 3k0s h ALA 710 N 1.14 0.95 -0.41 2.65 0.00 -0.91 -1.63 119.26 121.06 3k0s h ALA 710 Ca 0.10 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 3k0s h ALA 710 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k0s h ALA 710 CO -0.10 0.64 -0.30 0.00 0.00 0.00 0.00 179.25 179.49 3k0s h ALA 712 N 0.89 0.64 -0.92 0.00 0.00 -0.89 -1.27 119.26 117.72 3k0s h ALA 712 Ca 0.08 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k0s h ALA 712 Cb 0.87 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3k0s h ALA 712 CO 0.08 0.26 0.61 1.49 0.00 0.00 0.00 179.25 181.68 3k0s h GLU 713 N 0.66 1.19 -0.44 0.00 4.81 -1.16 0.32 114.58 119.95 3k0s h GLU 713 Ca 0.16 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 3k0s h GLU 713 Cb 0.21 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3k0s h GLU 713 CO -0.01 0.79 -0.18 -0.97 -0.73 0.00 0.00 179.01 177.90 3k0s h ASN 714 N 1.23 0.87 -0.29 1.04 -0.73 -1.05 -0.52 115.58 116.12 3k0s h ASN 714 Ca 0.34 -0.30 -0.11 0.00 1.87 0.00 0.00 56.30 58.10 3k0s h ASN 714 Cb -0.11 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.22 3k0s h ASN 714 CO -0.08 1.04 -0.21 -0.07 -0.37 0.00 0.00 177.43 177.73 3k0s h LEU 715 N 0.76 0.77 -0.01 0.34 3.38 -0.01 -1.55 115.31 118.99 3k0s h LEU 715 Ca 0.11 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3k0s h LEU 715 Cb 0.71 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3k0s h LEU 715 CO 0.05 0.97 -0.28 0.00 0.09 0.00 0.00 178.44 179.28 3k0s h ALA 716 N 1.09 0.05 0.12 1.53 0.00 -0.22 0.14 119.26 121.97 3k0s h ALA 716 Ca 0.09 -0.46 -0.36 0.00 0.00 0.00 0.00 54.91 54.18 3k0s h ALA 716 Cb 0.72 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3k0s h ALA 716 CO 0.06 0.11 -1.98 0.09 0.00 0.00 0.00 179.25 177.52 3k0s n ASN 717 N -4.48 2.12 -0.03 0.00 3.02 -0.22 -4.22 115.26 111.45 3k0s n ASN 717 Ca -0.09 0.21 -0.03 0.00 -0.03 0.00 0.00 54.58 54.64 3k0s n ASN 717 Cb 0.51 -0.86 -0.01 0.00 -0.61 0.00 0.00 39.78 38.80 3k0s n ASN 717 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3k0s n LYS 718 N -3.51 0.18 0.12 3.52 4.76 -0.90 -4.73 118.16 117.61 3k0s n LYS 718 Ca -0.32 0.21 -0.13 0.00 -2.87 0.00 0.00 58.31 55.19 3k0s n LYS 718 Cb 1.04 -0.97 -0.08 0.00 -1.84 0.00 0.00 35.03 33.18 3k0s n LYS 718 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3k0s h ILE 719 N -0.37 0.86 -1.67 -0.18 2.04 -1.44 -3.48 117.51 113.27 3k0s h ILE 719 Ca 0.00 -0.13 -0.19 0.00 1.00 0.00 0.00 64.86 65.55 3k0s h ILE 719 Cb 0.28 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3k0s h ILE 719 CO 0.00 0.03 -0.25 0.29 0.00 0.00 0.00 178.15 178.22 3k0s n LYS 720 N -5.16 -1.25 -1.62 2.37 5.02 0.47 -3.30 118.16 114.69 3k0s n LYS 720 Ca -0.09 0.44 -0.32 0.00 -2.02 0.00 0.00 58.31 56.33 3k0s n LYS 720 Cb 0.14 -4.40 0.05 0.00 -0.02 0.00 0.00 35.03 30.80 3k0s n LYS 720 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k0s s ALA 721 N -2.59 2.54 -0.11 7.82 0.00 -1.22 -4.34 121.76 123.86 3k0s s ALA 721 Ca 0.05 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 3k0s s ALA 721 Cb -0.02 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3k0s s ALA 721 CO 0.06 -1.29 1.21 -0.51 0.00 0.00 0.00 175.76 175.22 3k0s s LEU 722 N -5.30 4.23 -0.06 0.00 1.43 -0.08 -4.56 118.68 114.34 3k0s s LEU 722 Ca 0.62 1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 55.45 3k0s s LEU 722 Cb -0.16 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.53 3k0s s LEU 722 CO 0.49 -0.65 -0.00 -0.89 0.23 0.00 0.00 176.35 175.52 3k0s s THR 723 N 2.74 0.36 -0.29 5.49 2.01 0.10 -0.10 115.64 125.95 3k0s s THR 723 Ca 0.55 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.54 3k0s s THR 723 Cb -0.23 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 3k0s s THR 723 CO 0.18 0.24 0.14 -0.76 -0.69 0.00 0.00 174.62 173.73 3k0s s LEU 724 N 1.67 3.96 -0.53 4.42 1.43 0.21 -0.88 118.68 128.96 3k0s s LEU 724 Ca 0.00 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3k0s s LEU 724 Cb -0.13 -2.00 0.14 0.00 0.03 0.00 0.00 46.19 44.23 3k0s s LEU 724 CO -0.04 -0.15 0.29 0.12 0.23 0.00 0.00 176.35 176.81 3k0s s PHE 725 N 1.63 3.34 0.24 0.29 2.19 0.12 -1.17 117.98 124.62 3k0s s PHE 725 Ca 0.05 -2.97 -0.30 0.00 0.33 0.00 0.00 56.93 54.04 3k0s s PHE 725 Cb -0.17 -2.98 -0.09 0.00 -1.31 0.00 0.00 43.02 38.48 3k0s s PHE 725 CO 0.06 -0.81 1.15 0.00 1.83 0.00 0.00 175.22 177.45 3k0s s ALA 726 N -0.01 3.42 0.05 11.12 0.00 0.16 -0.21 121.76 136.28 3k0s s ALA 726 Ca 0.16 0.94 -0.27 0.00 0.00 0.00 0.00 51.96 52.79 3k0s s ALA 726 Cb -0.23 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.59 3k0s s ALA 726 CO -0.02 -0.28 0.68 -0.08 0.00 0.00 0.00 175.76 176.06 3k0s s THR 727 N -0.67 0.00 -1.96 0.00 -1.32 -0.76 -3.26 115.64 107.67 3k0s s THR 727 Ca 0.48 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.14 3k0s s THR 727 Cb -0.33 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.74 3k0s s THR 727 CO 0.40 0.00 1.00 1.41 -2.21 0.00 0.00 174.62 175.21 3k0s n HIS 728 N 0.19 0.00 -2.16 9.09 8.25 -1.26 -4.38 115.22 124.95 3k0s n HIS 728 Ca -0.17 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.90 3k0s n HIS 728 Cb 0.61 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.69 3k0s n HIS 728 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3k0s s TYR 729 N -1.71 1.84 0.53 4.41 2.02 -1.26 -4.84 117.35 118.34 3k0s s TYR 729 Ca 0.18 0.61 0.41 0.00 -0.37 0.00 0.00 57.07 57.90 3k0s s TYR 729 Cb 0.15 -4.21 2.13 0.00 -0.40 0.00 0.00 41.96 39.62 3k0s s TYR 729 CO 0.31 -2.28 2.27 0.74 -1.57 0.00 0.00 175.55 175.03 3k0s h PHE 730 N 13.56 0.00 0.00 2.71 -1.00 -2.02 -1.55 116.94 128.64 3k0s h PHE 730 Ca -0.27 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.48 3k0s h PHE 730 Cb 1.14 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.69 3k0s h PHE 730 CO 1.05 0.01 -0.15 0.93 -1.61 0.00 0.00 178.31 178.53 3k0s h GLU 731 N 0.00 0.00 0.00 1.51 3.07 -2.02 -2.45 114.58 114.69 3k0s h GLU 731 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3k0s h GLU 731 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3k0s h GLU 731 CO 0.00 0.15 0.00 -0.07 -1.40 0.00 0.00 179.01 177.69 3k0s h LEU 732 N 0.00 0.00 0.00 1.33 3.38 -1.68 -2.64 115.31 115.70 3k0s h LEU 732 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k0s h LEU 732 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3k0s h LEU 732 CO 0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.90 3k0s n THR 733 N -2.55 0.98 1.18 0.22 -2.24 -0.92 -1.26 114.28 109.69 3k0s n THR 733 Ca 0.03 0.25 0.13 0.00 -2.27 0.00 0.00 64.05 62.19 3k0s n THR 733 Cb 0.34 -1.04 0.49 0.00 -2.10 0.00 0.00 70.33 68.02 3k0s n THR 733 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3k0s n GLN 734 N -1.42 0.34 -0.13 -0.78 7.27 -0.99 -4.28 117.38 117.39 3k0s n GLN 734 Ca 0.04 -0.13 -0.04 0.00 0.07 0.00 0.00 57.00 56.93 3k0s n GLN 734 Cb 0.13 -1.50 0.02 0.00 2.41 0.00 0.00 30.24 31.30 3k0s n GLN 734 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3k0s h LEU 735 N 0.33 -0.46 -1.89 1.69 3.38 -1.38 -2.23 115.31 114.74 3k0s h LEU 735 Ca 0.00 0.14 0.19 0.00 0.09 0.00 0.00 57.88 58.30 3k0s h LEU 735 Cb 0.45 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3k0s h LEU 735 CO 0.00 -0.16 0.50 -0.65 0.09 0.00 0.00 178.44 178.21 3k0s h PRO 736 N -0.02 0.09 0.00 1.13 0.11 -1.76 0.66 132.00 132.22 3k0s h PRO 736 Ca 0.21 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 3k0s h PRO 736 Cb 0.35 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3k0s h PRO 736 CO -0.46 0.06 -0.22 1.49 -0.21 0.00 0.00 178.00 178.66 3k0s h GLU 737 N 0.10 0.00 0.00 1.05 4.81 -1.69 -3.31 114.58 115.53 3k0s h GLU 737 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3k0s h GLU 737 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3k0s h GLU 737 CO -0.04 0.22 -1.13 1.63 -0.73 0.00 0.00 179.01 178.97 3k0s n LYS 738 N -3.82 1.44 -3.69 1.92 4.76 0.23 -5.02 118.16 113.98 3k0s n LYS 738 Ca -0.02 -0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.24 3k0s n LYS 738 Cb 0.32 -1.26 -0.06 0.00 -1.84 0.00 0.00 35.03 32.19 3k0s n LYS 738 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k0s s MET 739 N -2.66 0.90 0.49 1.97 0.23 -0.88 -5.11 119.30 114.24 3k0s s MET 739 Ca 0.01 -0.45 -0.19 0.00 -1.03 0.00 0.00 55.69 54.03 3k0s s MET 739 Cb 0.10 0.40 -0.09 0.00 -1.53 0.00 0.00 34.83 33.71 3k0s s MET 739 CO 0.60 -0.31 0.99 -2.00 -2.03 0.00 0.00 175.02 172.27 3k0s s GLU 740 N -2.65 3.95 0.00 3.16 2.12 -1.26 -4.15 118.70 119.87 3k0s s GLU 740 Ca -0.04 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.41 3k0s s GLU 740 Cb -0.00 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.25 3k0s s GLU 740 CO -0.04 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 3k0s n GLY 741 N -0.89 0.86 3.59 -1.50 0.00 -1.26 -4.67 105.19 101.32 3k0s n GLY 741 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3k0s n GLY 741 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k0s s VAL 742 N -3.37 4.02 0.06 1.61 1.01 -1.26 -1.64 120.40 120.82 3k0s s VAL 742 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3k0s s VAL 742 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3k0s s VAL 742 CO 0.00 0.56 -0.04 0.00 0.00 0.00 0.00 175.10 175.62 3k0s s ALA 743 N -0.42 0.57 -0.14 5.51 0.00 -0.19 -4.35 121.76 122.74 3k0s s ALA 743 Ca 0.07 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 3k0s s ALA 743 Cb -0.12 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 3k0s s ALA 743 CO 0.02 -0.26 0.21 -0.80 0.00 0.00 0.00 175.76 174.94 3k0s s ASN 744 N -2.53 6.41 0.26 0.00 0.01 -1.26 -0.60 114.94 117.23 3k0s s ASN 744 Ca 0.02 0.48 0.01 0.00 -0.71 0.00 0.00 52.86 52.66 3k0s s ASN 744 Cb 0.02 -2.13 -0.05 0.00 0.41 0.00 0.00 41.25 39.51 3k0s s ASN 744 CO -0.06 0.26 0.12 0.68 -1.51 0.00 0.00 177.10 176.59 3k0s s VAL 745 N -0.29 0.42 0.09 1.60 -7.23 -0.74 -0.23 120.40 114.02 3k0s s VAL 745 Ca 0.15 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.11 3k0s s VAL 745 Cb -0.13 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.28 3k0s s VAL 745 CO 0.04 0.00 0.49 -1.38 -0.31 0.00 0.00 175.10 173.94 3k0s s HIS 746 N -3.78 -0.37 -0.33 2.82 -3.43 0.21 -2.00 115.29 108.42 3k0s s HIS 746 Ca 0.37 0.26 -0.19 0.00 -0.80 0.00 0.00 55.06 54.71 3k0s s HIS 746 Cb 0.07 0.34 -0.01 0.00 -1.43 0.00 0.00 32.58 31.56 3k0s s HIS 746 CO 0.14 -0.69 0.54 -0.51 -2.00 0.00 0.00 174.74 172.22 3k0s s LEU 747 N -2.35 4.25 0.39 5.38 2.01 -0.05 -0.77 118.68 127.55 3k0s s LEU 747 Ca -0.02 0.15 -0.27 0.00 0.01 0.00 0.00 54.13 54.00 3k0s s LEU 747 Cb 0.00 -2.65 -0.09 0.00 0.01 0.00 0.00 46.19 43.46 3k0s s LEU 747 CO -0.07 -0.46 1.36 -0.62 1.01 0.00 0.00 176.35 177.57 3k0s s ASP 748 N 1.72 6.34 -0.03 2.29 2.15 -0.10 -4.45 116.67 124.60 3k0s s ASP 748 Ca 0.21 2.77 -0.09 0.00 0.43 0.00 0.00 52.55 55.86 3k0s s ASP 748 Cb -0.15 -2.65 0.01 0.00 -0.30 0.00 0.00 42.92 39.83 3k0s s ASP 748 CO 0.13 -0.84 0.21 0.00 -0.17 0.00 0.00 175.17 174.49 3k0s s ALA 749 N -1.20 -0.51 -0.04 3.66 0.00 -1.26 -1.79 121.76 120.62 3k0s s ALA 749 Ca 0.55 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.78 3k0s s ALA 749 Cb -0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3k0s s ALA 749 CO 0.53 -0.19 -0.23 -0.51 0.00 0.00 0.00 175.76 175.36 3k0s s LEU 750 N -0.94 2.03 -0.30 0.00 1.43 0.80 -4.92 118.68 116.78 3k0s s LEU 750 Ca -0.10 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 3k0s s LEU 750 Cb -0.05 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 3k0s s LEU 750 CO 0.02 0.24 0.21 -1.61 0.23 0.00 0.00 176.35 175.44 3k0s s GLU 751 N -0.27 3.80 -0.40 1.70 2.02 -1.26 0.17 118.70 124.46 3k0s s GLU 751 Ca 0.01 -0.43 -0.07 0.00 0.02 0.00 0.00 54.97 54.50 3k0s s GLU 751 Cb -0.12 -3.71 0.08 0.00 0.10 0.00 0.00 34.13 30.49 3k0s s GLU 751 CO 0.02 -0.27 0.22 -1.01 0.02 0.00 0.00 175.26 174.24 3k0s s HIS 752 N 1.75 3.38 0.00 1.61 3.76 -0.51 -4.99 115.29 120.29 3k0s s HIS 752 Ca 0.07 -1.76 0.00 0.00 -0.15 0.00 0.00 55.06 53.22 3k0s s HIS 752 Cb -0.16 -2.91 0.00 0.00 1.11 0.00 0.00 32.58 30.61 3k0s s HIS 752 CO 0.11 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 173.54 3k0s n GLY 753 N 4.81 1.25 0.25 -2.22 0.00 -1.26 -1.37 105.19 106.64 3k0s n GLY 753 Ca -0.09 0.63 -0.10 0.00 0.00 0.00 0.00 46.02 46.47 3k0s n GLY 753 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3k0s h ASP 754 N 0.00 0.79 -0.38 1.61 3.58 -2.02 -3.47 116.42 116.52 3k0s h ASP 754 Ca 0.00 -0.36 -0.61 0.00 0.42 0.00 0.00 57.03 56.48 3k0s h ASP 754 Cb 0.00 -0.22 -0.07 0.00 1.72 0.00 0.00 39.33 40.76 3k0s h ASP 754 CO 0.00 1.10 -0.34 0.42 -2.88 0.00 0.00 179.24 177.53 3k0s s THR 755 N -4.31 1.43 -0.11 2.25 -4.23 -0.47 -4.98 115.64 105.22 3k0s s THR 755 Ca -0.09 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 3k0s s THR 755 Cb 0.12 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.93 3k0s s THR 755 CO 0.85 0.00 -0.12 -0.51 -0.54 0.00 0.00 174.62 174.30 3k0s s ILE 756 N -2.83 1.27 -0.24 2.99 2.07 -1.26 -1.43 121.20 121.78 3k0s s ILE 756 Ca 0.25 -0.49 -0.12 0.00 -1.41 0.00 0.00 60.65 58.88 3k0s s ILE 756 Cb -0.02 -1.20 -0.05 0.00 0.13 0.00 0.00 42.46 41.33 3k0s s ILE 756 CO 0.16 0.40 0.23 0.00 -1.91 0.00 0.00 174.94 173.81 3k0s s ALA 757 N 1.21 3.59 -0.45 1.50 0.00 0.46 -4.92 121.76 123.16 3k0s s ALA 757 Ca -0.03 -0.82 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 3k0s s ALA 757 Cb -0.14 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.58 3k0s s ALA 757 CO -0.04 -0.27 0.60 -0.06 0.00 0.00 0.00 175.76 176.00 3k0s s PHE 758 N 1.22 3.08 -0.15 0.00 0.08 -1.26 -0.14 117.98 120.80 3k0s s PHE 758 Ca 0.10 -0.20 0.15 0.00 0.12 0.00 0.00 56.93 57.11 3k0s s PHE 758 Cb -0.14 -3.29 0.01 0.00 -0.57 0.00 0.00 43.02 39.03 3k0s s PHE 758 CO 0.06 -0.87 1.30 0.52 -0.10 0.00 0.00 175.22 176.13 3k0s h MET 759 N 8.87 0.00 -2.33 0.44 2.86 -1.66 -3.48 114.93 119.64 3k0s h MET 759 Ca -0.26 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 56.97 3k0s h MET 759 Cb 1.10 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.70 3k0s h MET 759 CO 0.89 0.45 -0.48 0.72 1.06 0.00 0.00 176.91 179.55 3k0s n HIS 760 N -3.14 -0.68 -4.64 -0.22 -0.00 -1.24 -4.92 115.22 100.37 3k0s n HIS 760 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.38 3k0s n HIS 760 Cb 0.76 -3.74 -0.15 0.00 -0.00 0.00 0.00 29.99 26.87 3k0s n HIS 760 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3k0s s SER 761 N -2.29 3.95 -0.05 0.41 1.04 -1.26 -4.79 113.70 110.72 3k0s s SER 761 Ca 0.00 -0.37 -0.30 0.00 0.48 0.00 0.00 55.95 55.77 3k0s s SER 761 Cb 0.00 -1.61 -0.02 0.00 0.10 0.00 0.00 66.02 64.49 3k0s s SER 761 CO 0.00 0.13 0.99 -0.69 0.98 0.00 0.00 173.24 174.65 3k0s s VAL 762 N 0.56 4.83 0.03 5.02 1.01 -1.26 -0.92 120.40 129.66 3k0s s VAL 762 Ca -0.08 2.05 0.05 0.00 0.00 0.00 0.00 61.98 64.00 3k0s s VAL 762 Cb -0.16 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 3k0s s VAL 762 CO 0.04 0.09 -0.16 -1.10 0.00 0.00 0.00 175.10 173.97 3k0s s GLN 763 N 1.44 1.11 0.67 2.72 -1.52 0.05 -4.89 119.66 119.25 3k0s s GLN 763 Ca 0.50 -0.74 -0.15 0.00 -1.95 0.00 0.00 55.36 53.02 3k0s s GLN 763 Cb -0.20 -1.13 0.01 0.00 -0.22 0.00 0.00 33.01 31.47 3k0s s GLN 763 CO 0.24 0.29 1.15 -0.51 -0.25 0.00 0.00 175.29 176.21 3k0s s ASP 764 N -0.95 4.82 0.00 5.90 1.01 -1.26 -0.62 116.67 125.57 3k0s s ASP 764 Ca 0.04 2.16 0.00 0.00 0.71 0.00 0.00 52.55 55.46 3k0s s ASP 764 Cb -0.08 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.29 3k0s s ASP 764 CO 0.01 -1.83 0.00 0.61 0.21 0.00 0.00 175.17 174.17 3k0s n GLY 765 N -0.08 0.63 3.76 0.21 0.00 0.68 -4.76 105.19 105.64 3k0s n GLY 765 Ca 0.12 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 3k0s n GLY 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k0s s ALA 766 N -2.80 2.11 0.67 4.61 0.00 -1.26 -3.04 121.76 122.06 3k0s s ALA 766 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 3k0s s ALA 766 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3k0s s ALA 766 CO 0.00 -1.86 1.29 0.00 0.00 0.00 0.00 175.76 175.19 3k0s s ALA 767 N -2.95 2.30 0.45 0.00 0.00 -1.26 -4.85 121.76 115.45 3k0s s ALA 767 Ca 0.61 1.18 0.14 0.00 0.00 0.00 0.00 51.96 53.90 3k0s s ALA 767 Cb -0.17 -3.55 1.02 0.00 0.00 0.00 0.00 23.12 20.42 3k0s s ALA 767 CO 0.56 -1.71 2.00 0.66 0.00 0.00 0.00 175.76 177.27 3k0s h SER 768 N 0.35 0.00 -5.01 0.00 4.64 -1.97 -3.46 113.55 108.11 3k0s h SER 768 Ca -0.50 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3k0s h SER 768 Cb 1.33 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 3k0s h SER 768 CO 0.52 0.17 0.25 -1.59 -0.87 0.00 0.00 176.83 175.31 3k0s s LYS 769 N -4.68 2.08 -0.12 4.77 -2.85 -1.26 -5.16 119.74 112.53 3k0s s LYS 769 Ca -0.04 -1.30 -0.04 0.00 -1.00 0.00 0.00 55.97 53.58 3k0s s LYS 769 Cb 0.16 0.62 -0.04 0.00 -2.06 0.00 0.00 37.83 36.51 3k0s s LYS 769 CO 0.70 -0.97 0.05 -1.54 0.10 0.00 0.00 175.35 173.69 3k0s s SER 770 N -3.02 5.64 -0.27 0.03 1.04 -1.26 -4.78 113.70 111.07 3k0s s SER 770 Ca 0.14 0.22 0.11 0.00 0.48 0.00 0.00 55.95 56.90 3k0s s SER 770 Cb -0.05 -1.75 0.53 0.00 0.10 0.00 0.00 66.02 64.84 3k0s s SER 770 CO 0.10 0.34 1.49 -1.22 0.98 0.00 0.00 173.24 174.94 3k0s n TYR 771 N 2.39 1.21 -0.28 5.02 4.02 -1.26 -4.63 117.16 123.63 3k0s n TYR 771 Ca -0.19 -1.43 -0.01 0.00 -0.01 0.00 0.00 57.90 56.26 3k0s n TYR 771 Cb 0.54 -0.48 0.11 0.00 -0.02 0.00 0.00 39.34 39.48 3k0s n TYR 771 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3k0s h GLY 772 N 1.21 1.13 1.04 2.72 0.00 -1.98 0.12 103.07 107.31 3k0s h GLY 772 Ca 0.20 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 3k0s h GLY 772 CO 0.40 0.26 -0.12 1.41 0.00 0.00 0.00 176.54 178.50 3k0s h LEU 773 N 0.90 0.91 -0.55 3.11 3.38 -2.00 -0.99 115.31 120.07 3k0s h LEU 773 Ca 0.32 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3k0s h LEU 773 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3k0s h LEU 773 CO -0.14 1.07 -0.17 0.00 0.09 0.00 0.00 178.44 179.29 3k0s h ALA 774 N 0.88 0.75 -0.47 1.53 0.00 -1.80 -1.46 119.26 118.67 3k0s h ALA 774 Ca 0.12 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3k0s h ALA 774 Cb 0.67 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3k0s h ALA 774 CO 0.05 0.67 -0.17 0.28 0.00 0.00 0.00 179.25 180.08 3k0s h VAL 775 N 0.87 1.27 -0.41 0.00 2.07 -0.90 -1.53 116.25 117.62 3k0s h VAL 775 Ca 0.12 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 66.36 3k0s h VAL 775 Cb 0.74 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3k0s h VAL 775 CO 0.06 0.45 0.21 0.00 0.02 0.00 0.00 177.57 178.31 3k0s h ALA 776 N 0.99 0.52 -0.65 1.67 0.00 -1.05 -1.33 119.26 119.41 3k0s h ALA 776 Ca 0.12 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3k0s h ALA 776 Cb 0.72 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3k0s h ALA 776 CO 0.06 -0.14 0.40 0.00 0.00 0.00 0.00 179.25 179.57 3k0s h ALA 777 N 1.21 0.84 -0.56 0.00 0.00 -0.98 -1.75 119.26 118.03 3k0s h ALA 777 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k0s h ALA 777 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3k0s h ALA 777 CO -0.12 0.16 0.34 1.25 0.00 0.00 0.00 179.25 180.88 3k0s h LEU 778 N 0.79 0.66 -0.47 0.00 5.85 -0.94 -0.64 115.31 120.57 3k0s h LEU 778 Ca 0.26 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3k0s h LEU 778 Cb 0.01 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3k0s h LEU 778 CO -0.10 0.51 0.00 0.00 -0.34 0.00 0.00 178.44 178.51 3k0s n ALA 779 N -2.45 1.85 0.00 1.25 0.00 -0.53 -4.91 120.51 115.71 3k0s n ALA 779 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3k0s n ALA 779 Cb 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3k0s n ALA 779 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k0s n GLY 780 N 0.39 0.87 3.62 0.00 0.00 -0.25 -5.07 105.19 104.76 3k0s n GLY 780 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 3k0s n GLY 780 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k0s n VAL 781 N -1.13 0.65 -1.59 1.61 0.31 -1.12 -4.80 118.33 112.27 3k0s n VAL 781 Ca 0.00 -0.16 -0.41 0.00 -0.01 0.00 0.00 64.34 63.76 3k0s n VAL 781 Cb 0.00 -1.10 0.02 0.00 -0.91 0.00 0.00 33.84 31.85 3k0s n VAL 781 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3k0s n PRO 782 N 2.16 1.17 -0.15 5.55 -0.02 -1.26 -4.73 135.00 137.72 3k0s n PRO 782 Ca 0.15 0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 62.04 3k0s n PRO 782 Cb 0.26 -1.98 0.23 0.00 -0.02 0.00 0.00 33.50 31.99 3k0s n PRO 782 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3k0s h LYS 783 N 1.27 0.85 -0.01 -0.52 1.57 -1.97 -1.75 116.57 116.02 3k0s h LYS 783 Ca -0.44 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3k0s h LYS 783 Cb 1.35 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 3k0s h LYS 783 CO 0.55 0.68 0.01 1.05 -0.57 0.00 0.00 179.45 181.17 3k0s h GLU 784 N 0.85 0.00 0.14 3.15 4.11 -1.99 -0.45 114.58 120.39 3k0s h GLU 784 Ca 0.21 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.27 3k0s h GLU 784 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3k0s h GLU 784 CO -0.02 0.00 -1.94 0.28 0.07 0.00 0.00 179.01 177.39 3k0s h VAL 785 N 0.00 0.69 -0.88 -1.06 2.07 -1.68 -2.57 116.25 112.82 3k0s h VAL 785 Ca 0.00 -2.38 0.04 0.00 0.82 0.00 0.00 66.70 65.18 3k0s h VAL 785 Cb 0.02 2.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 3k0s h VAL 785 CO -0.00 0.90 0.58 0.40 0.02 0.00 0.00 177.57 179.46 3k0s h ILE 786 N 0.08 1.13 -0.63 4.57 1.08 -1.27 0.14 117.51 122.62 3k0s h ILE 786 Ca -0.41 -0.37 -0.03 0.00 -0.39 0.00 0.00 64.86 63.67 3k0s h ILE 786 Cb 2.05 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.73 3k0s h ILE 786 CO 0.11 0.20 0.29 0.50 -0.69 0.00 0.00 178.15 178.56 3k0s h LYS 787 N 1.07 0.91 -0.26 2.37 3.64 -1.11 0.11 116.57 123.30 3k0s h LYS 787 Ca 0.35 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 59.43 3k0s h LYS 787 Cb 0.06 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3k0s h LYS 787 CO -0.11 0.74 -0.51 -0.09 -2.27 0.00 0.00 179.45 177.20 3k0s h ARG 788 N 0.87 0.73 -0.66 1.90 9.65 -1.03 -2.79 114.38 123.05 3k0s h ARG 788 Ca 0.21 -0.44 -0.00 0.00 -1.10 0.00 0.00 59.98 58.65 3k0s h ARG 788 Cb 0.13 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 3k0s h ARG 788 CO -0.03 1.07 0.39 0.00 2.80 0.00 0.00 179.97 184.20 3k0s h ALA 789 N 0.85 0.84 -0.47 2.80 0.00 -0.41 -1.45 119.26 121.41 3k0s h ALA 789 Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3k0s h ALA 789 Cb 1.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3k0s h ALA 789 CO 0.11 0.32 0.31 0.00 0.00 0.00 0.00 179.25 179.99 3k0s h ARG 790 N 0.89 0.59 -0.25 0.00 3.08 -0.71 0.13 114.38 118.12 3k0s h ARG 790 Ca 0.24 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.09 3k0s h ARG 790 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3k0s h ARG 790 CO -0.04 0.39 -0.49 0.37 -1.07 0.00 0.00 179.97 179.13 3k0s h GLN 791 N 0.61 0.69 -0.39 0.04 4.15 -1.16 -2.08 115.11 116.98 3k0s h GLN 791 Ca 0.18 -0.40 -0.11 0.00 0.77 0.00 0.00 58.65 59.08 3k0s h GLN 791 Cb -0.03 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3k0s h GLN 791 CO -0.04 1.02 -0.22 -0.22 -1.93 0.00 0.00 178.83 177.44 3k0s h LYS 792 N 0.54 0.77 -0.86 1.69 1.63 -0.23 -3.00 116.57 117.11 3k0s h LYS 792 Ca 0.03 -0.31 -0.02 0.00 -0.85 0.00 0.00 60.65 59.49 3k0s h LYS 792 Cb 1.05 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.60 3k0s h LYS 792 CO 0.10 0.92 0.44 1.25 -3.45 0.00 0.00 179.45 178.72 3k0s h LEU 793 N 0.68 1.10 -1.34 5.20 5.85 -0.51 -2.07 115.31 124.22 3k0s h LEU 793 Ca 0.09 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3k0s h LEU 793 Cb 0.73 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3k0s h LEU 793 CO 0.06 0.91 -0.32 0.03 -0.34 0.00 0.00 178.44 178.77 3k0s h ARG 794 N 1.22 0.01 -0.01 1.25 3.08 -1.25 -0.07 114.38 118.60 3k0s h ARG 794 Ca 0.30 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 3k0s h ARG 794 Cb 0.07 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3k0s h ARG 794 CO -0.04 0.33 0.00 0.93 -1.07 0.00 0.00 179.97 180.12 3k0s h GLU 795 N 0.01 0.02 -0.45 0.04 5.08 -1.27 -2.78 114.58 115.23 3k0s h GLU 795 Ca -0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3k0s h GLU 795 Cb 0.58 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3k0s h GLU 795 CO 0.04 0.22 0.19 -0.07 -1.00 0.00 0.00 179.01 178.39 3k0s h LEU 796 N -0.19 0.57 0.00 1.33 3.38 -0.71 -1.60 115.31 118.10 3k0s h LEU 796 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3k0s h LEU 796 Cb 0.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3k0s h LEU 796 CO -0.00 0.51 0.00 -0.62 0.09 0.00 0.00 178.44 178.42 3k0s n GLU 797 N -4.37 0.31 0.00 1.13 1.02 -0.12 -2.68 120.64 115.93 3k0s n GLU 797 Ca 0.03 0.02 0.14 0.00 -0.02 0.00 0.00 57.16 57.34 3k0s n GLU 797 Cb 0.14 -1.50 0.54 0.00 -0.02 0.00 0.00 31.44 30.60 3k0s n GLU 797 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3k0s n SER 798 N -1.34 1.23 -0.16 1.62 3.41 -0.60 -3.56 113.62 114.23 3k0s n SER 798 Ca 0.12 -1.29 -0.12 0.00 -0.26 0.00 0.00 58.87 57.32 3k0s n SER 798 Cb 0.25 0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3k0s n SER 798 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3k0s h ILE 799 N 1.85 1.27 0.00 -1.33 2.04 -1.63 -3.52 117.51 116.19 3k0s h ILE 799 Ca 0.00 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3k0s h ILE 799 Cb 0.45 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3k0s h ILE 799 CO 0.00 0.48 0.00 -1.20 0.00 0.00 0.00 178.15 177.43