#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k0s h ARG 19 N 0.00 0.00 0.00 3.23 3.08 -2.05 -3.16 114.38 115.48 3k0s h ARG 19 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k0s h ARG 19 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3k0s h ARG 19 CO 0.00 0.65 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.46 3k0s h LEU 20 N 0.00 0.00 -0.59 3.04 3.38 -2.02 -2.64 115.31 116.48 3k0s h LEU 20 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3k0s h LEU 20 Cb 1.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 3k0s h LEU 20 CO 0.08 0.02 -0.34 0.50 0.09 0.00 0.00 178.44 178.80 3k0s h LYS 21 N 0.00 0.00 0.00 1.13 1.63 -1.88 -3.08 116.57 114.36 3k0s h LYS 21 Ca -0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 3k0s h LYS 21 Cb 0.60 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 3k0s h LYS 21 CO 0.00 0.34 -0.22 0.00 -3.45 0.00 0.00 179.45 176.12 3k0s h ALA 22 N 1.66 1.31 -0.06 5.00 0.00 -1.59 -2.73 119.26 122.85 3k0s h ALA 22 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3k0s h ALA 22 Cb 1.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3k0s h ALA 22 CO 0.04 0.28 -0.27 1.96 0.00 0.00 0.00 179.25 181.26 3k0s h GLN 23 N 0.00 0.10 -2.22 0.00 4.20 -1.65 -3.38 115.11 112.15 3k0s h GLN 23 Ca -0.00 -0.03 -0.45 0.00 0.06 0.00 0.00 58.65 58.22 3k0s h GLN 23 Cb 0.50 -0.01 -0.34 0.00 0.30 0.00 0.00 27.48 27.93 3k0s h GLN 23 CO 0.03 0.37 -0.75 -1.01 -0.67 0.00 0.00 178.83 176.79 3k0s s HIS 24 N -4.42 0.11 0.09 2.96 3.76 -1.04 -5.04 115.29 111.71 3k0s s HIS 24 Ca -0.04 -1.13 -0.13 0.00 -0.15 0.00 0.00 55.06 53.61 3k0s s HIS 24 Cb 0.15 -0.61 -0.18 0.00 1.11 0.00 0.00 32.58 33.04 3k0s s HIS 24 CO 0.73 -0.91 1.26 -1.35 -0.85 0.00 0.00 174.74 173.62 3k0s h PRO 25 N 7.08 0.76 -0.66 8.40 0.11 -1.74 -3.24 132.00 142.71 3k0s h PRO 25 Ca 0.05 -0.68 0.00 0.00 0.11 0.00 0.00 66.00 65.48 3k0s h PRO 25 Cb 1.02 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3k0s h PRO 25 CO 0.23 1.27 0.00 0.39 -0.21 0.00 0.00 178.00 179.68 3k0s n GLU 26 N -3.93 3.39 -4.51 1.05 1.02 -1.26 -4.84 120.64 111.56 3k0s n GLU 26 Ca -0.09 -2.16 -0.30 0.00 -0.02 0.00 0.00 57.16 54.59 3k0s n GLU 26 Cb 0.78 -1.89 -0.17 0.00 -0.02 0.00 0.00 31.44 30.15 3k0s n GLU 26 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3k0s s ILE 27 N -2.01 1.67 0.20 -3.67 1.01 -1.23 -4.87 121.20 112.30 3k0s s ILE 27 Ca 0.38 -0.75 -0.32 0.00 0.00 0.00 0.00 60.65 59.96 3k0s s ILE 27 Cb 0.27 -1.51 -0.15 0.00 0.01 0.00 0.00 42.46 41.08 3k0s s ILE 27 CO 0.15 0.48 1.23 0.18 0.00 0.00 0.00 174.94 176.97 3k0s n LEU 28 N 4.18 1.99 -4.36 2.97 4.77 -1.21 -4.73 117.00 120.62 3k0s n LEU 28 Ca -0.19 1.14 -0.40 0.00 -0.03 0.00 0.00 56.01 56.53 3k0s n LEU 28 Cb 0.51 -1.28 -0.11 0.00 -2.33 0.00 0.00 43.42 40.21 3k0s n LEU 28 CO 0.25 -1.07 -0.18 -0.22 -1.33 0.00 0.00 177.39 174.84 3k0s s LEU 29 N 0.49 4.63 -0.64 2.23 2.96 -1.26 -0.75 118.68 126.33 3k0s s LEU 29 Ca 0.71 -1.02 -0.25 0.00 -0.22 0.00 0.00 54.13 53.35 3k0s s LEU 29 Cb -0.79 -1.99 0.04 0.00 0.50 0.00 0.00 46.19 43.96 3k0s s LEU 29 CO 0.52 -0.37 1.09 -0.36 -1.32 0.00 0.00 176.35 175.91 3k0s s PHE 30 N 1.52 2.58 -0.42 5.38 0.40 0.92 -4.35 117.98 124.01 3k0s s PHE 30 Ca 0.01 -0.07 -0.20 0.00 -0.60 0.00 0.00 56.93 56.07 3k0s s PHE 30 Cb -0.19 -4.38 0.02 0.00 0.51 0.00 0.00 43.02 38.98 3k0s s PHE 30 CO 0.06 -1.68 0.60 -0.47 0.70 0.00 0.00 175.22 174.43 3k0s s TYR 31 N 4.70 3.10 -0.10 0.36 5.04 0.31 -1.15 117.35 129.60 3k0s s TYR 31 Ca 0.32 -0.03 -0.31 0.00 -2.44 0.00 0.00 57.07 54.61 3k0s s TYR 31 Cb -0.11 -3.23 -0.09 0.00 0.35 0.00 0.00 41.96 38.88 3k0s s TYR 31 CO 0.17 -0.79 2.03 -2.13 -1.34 0.00 0.00 175.55 173.49 3k0s n ARG 32 N 6.10 2.29 -3.16 4.97 3.00 -0.93 -0.69 116.66 128.24 3k0s n ARG 32 Ca -0.03 0.79 -0.05 0.00 -0.00 0.00 0.00 57.85 58.56 3k0s n ARG 32 Cb 0.48 -2.91 -0.02 0.00 0.00 0.00 0.00 32.46 30.01 3k0s n ARG 32 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 3k0s s MET 33 N 4.96 0.84 1.79 -0.14 1.75 -0.56 -4.90 119.30 123.04 3k0s s MET 33 Ca 0.95 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 54.74 3k0s s MET 33 Cb -0.53 -0.19 0.00 0.00 2.84 0.00 0.00 34.83 36.96 3k0s s MET 33 CO 0.44 -1.23 0.00 0.41 -0.65 0.00 0.00 175.02 173.99 3k0s n GLY 34 N 4.00 0.79 0.93 2.11 0.00 -1.26 -3.79 105.19 107.97 3k0s n GLY 34 Ca 0.13 -1.23 0.06 0.00 0.00 0.00 0.00 46.02 44.97 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 2.02 2.67 -4.03 1.61 8.00 -1.26 -4.92 116.55 120.64 3k0s n ASP 35 Ca 0.00 -2.18 -0.10 0.00 0.71 0.00 0.00 54.79 53.22 3k0s n ASP 35 Cb 0.00 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 40.63 3k0s n ASP 35 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3k0s s PHE 36 N -1.64 0.58 0.14 1.24 0.40 -1.25 -1.12 117.98 116.33 3k0s s PHE 36 Ca 0.28 -0.93 0.04 0.00 -0.60 0.00 0.00 56.93 55.71 3k0s s PHE 36 Cb 0.17 -0.19 -0.04 0.00 0.51 0.00 0.00 43.02 43.47 3k0s s PHE 36 CO 0.15 -0.68 0.17 0.71 0.70 0.00 0.00 175.22 176.27 3k0s s TYR 37 N -4.01 3.26 0.01 0.36 2.02 0.14 -1.49 117.35 117.63 3k0s s TYR 37 Ca 0.21 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.97 3k0s s TYR 37 Cb 0.04 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 3k0s s TYR 37 CO 0.02 0.52 -0.05 -1.21 -1.57 0.00 0.00 175.55 173.26 3k0s s GLU 38 N -2.98 0.38 0.05 -0.62 2.02 0.13 -0.32 118.70 117.35 3k0s s GLU 38 Ca 0.32 -0.32 0.06 0.00 0.02 0.00 0.00 54.97 55.05 3k0s s GLU 38 Cb -0.11 -0.28 -0.03 0.00 0.10 0.00 0.00 34.13 33.80 3k0s s GLU 38 CO 0.25 0.07 -0.14 -0.51 0.02 0.00 0.00 175.26 174.95 3k0s s LEU 39 N -0.54 2.83 0.16 1.80 1.02 0.19 -0.53 118.68 123.61 3k0s s LEU 39 Ca -0.02 -0.36 0.08 0.00 0.02 0.00 0.00 54.13 53.84 3k0s s LEU 39 Cb -0.04 -1.65 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 3k0s s LEU 39 CO -0.00 0.24 -0.17 -0.36 0.02 0.00 0.00 176.35 176.08 3k0s s PHE 40 N -1.01 1.72 0.00 0.29 0.08 -1.26 -0.82 117.98 116.98 3k0s s PHE 40 Ca 0.17 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.72 3k0s s PHE 40 Cb -0.11 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.48 3k0s s PHE 40 CO 0.08 0.29 0.00 0.66 -0.10 0.00 0.00 175.22 176.15 3k0s n TYR 41 N 0.27 0.00 0.14 0.36 4.01 -0.74 -2.16 117.16 119.05 3k0s n TYR 41 Ca -0.13 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.66 3k0s n TYR 41 Cb 0.57 0.00 0.51 0.00 -0.31 0.00 0.00 39.34 40.12 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 0.00 0.21 -0.42 7.72 3.32 -1.97 0.52 116.42 125.80 3k0s h ASP 42 Ca 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 3k0s h ASP 42 Cb 0.00 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3k0s h ASP 42 CO 0.00 0.20 -0.15 0.44 -1.72 0.00 0.00 179.24 178.01 3k0s h ASP 43 N 0.25 0.91 -0.27 6.45 5.19 -1.81 0.99 116.42 128.13 3k0s h ASP 43 Ca 0.06 -0.31 -0.16 0.00 -0.62 0.00 0.00 57.03 56.00 3k0s h ASP 43 Cb 0.05 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.31 3k0s h ASP 43 CO -0.01 1.06 -0.47 0.00 -3.12 0.00 0.00 179.24 176.70 3k0s h ALA 44 N 1.02 0.42 0.25 3.45 0.00 -0.95 -1.26 119.26 122.19 3k0s h ALA 44 Ca 0.12 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3k0s h ALA 44 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3k0s h ALA 44 CO 0.05 0.58 -0.25 -0.22 0.00 0.00 0.00 179.25 179.41 3k0s h LYS 45 N 0.55 -0.48 -0.13 0.00 3.64 0.10 -2.36 116.57 117.89 3k0s h LYS 45 Ca 0.02 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3k0s h LYS 45 Cb 1.07 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 3k0s h LYS 45 CO 0.11 -0.32 -0.05 0.00 -2.27 0.00 0.00 179.45 176.92 3k0s h ARG 46 N -0.50 -0.02 -0.85 1.90 3.08 -0.87 -2.56 114.38 114.55 3k0s h ARG 46 Ca -0.03 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.14 3k0s h ARG 46 Cb 0.43 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 3k0s h ARG 46 CO -0.03 -0.01 0.47 0.00 -1.07 0.00 0.00 179.97 179.33 3k0s h ALA 47 N 1.11 1.25 -0.86 0.04 0.00 -1.26 -1.46 119.26 118.07 3k0s h ALA 47 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3k0s h ALA 47 Cb 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3k0s h ALA 47 CO -0.15 0.02 0.46 1.03 0.00 0.00 0.00 179.25 180.61 3k0s h SER 48 N 0.73 1.09 1.11 0.00 0.87 -1.01 -0.05 113.55 116.29 3k0s h SER 48 Ca 0.44 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 3k0s h SER 48 Cb 0.51 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3k0s h SER 48 CO -0.30 0.88 -0.06 0.00 -0.53 0.00 0.00 176.83 176.82 3k0s n GLN 49 N -4.35 0.09 -0.10 2.24 10.64 -0.70 -2.64 117.38 122.56 3k0s n GLN 49 Ca 0.09 0.07 -0.11 0.00 -1.83 0.00 0.00 57.00 55.22 3k0s n GLN 49 Cb 0.11 -1.60 -0.15 0.00 -0.86 0.00 0.00 30.24 27.73 3k0s n GLN 49 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3k0s n LEU 50 N -1.76 0.50 -0.24 2.61 4.32 -0.63 -4.62 117.00 117.18 3k0s n LEU 50 Ca 0.06 0.02 0.04 0.00 -0.02 0.00 0.00 56.01 56.11 3k0s n LEU 50 Cb 0.37 0.26 0.09 0.00 -1.62 0.00 0.00 43.42 42.52 3k0s n LEU 50 CO 0.29 0.55 0.56 0.18 -1.22 0.00 0.00 177.39 177.76 3k0s n LEU 51 N -2.85 2.46 -3.53 2.23 4.77 -0.08 -5.00 117.00 114.99 3k0s n LEU 51 Ca -0.33 -2.32 -0.21 0.00 -0.03 0.00 0.00 56.01 53.12 3k0s n LEU 51 Cb 1.13 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 42.05 3k0s n LEU 51 CO 0.41 0.61 -0.00 -0.67 -1.33 0.00 0.00 177.39 176.41 3k0s n ASP 52 N -0.47 -5.92 -3.95 -1.43 2.03 -1.12 -5.00 116.55 100.70 3k0s n ASP 52 Ca 0.08 -0.75 -0.10 0.00 0.52 0.00 0.00 54.79 54.54 3k0s n ASP 52 Cb 0.43 -3.53 -0.12 0.00 -0.72 0.00 0.00 41.12 37.18 3k0s n ASP 52 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3k0s s ILE 53 N -3.22 0.08 0.39 5.18 -1.09 -1.08 -5.09 121.20 116.36 3k0s s ILE 53 Ca 0.24 -0.65 -0.26 0.00 -2.23 0.00 0.00 60.65 57.75 3k0s s ILE 53 Cb -0.08 -0.20 -0.09 0.00 -1.58 0.00 0.00 42.46 40.52 3k0s s ILE 53 CO 0.84 -0.36 1.24 -0.44 -1.23 0.00 0.00 174.94 174.99 3k0s s SER 54 N -1.04 6.51 -0.47 3.58 0.01 -1.26 -4.45 113.70 116.57 3k0s s SER 54 Ca -0.11 2.51 -0.04 0.00 1.31 0.00 0.00 55.95 59.61 3k0s s SER 54 Cb -0.07 -2.63 0.12 0.00 0.21 0.00 0.00 66.02 63.65 3k0s s SER 54 CO -0.01 -0.70 0.28 -0.22 0.41 0.00 0.00 173.24 173.01 3k0s s LEU 55 N -2.32 5.33 0.00 2.44 2.96 -1.26 -4.54 118.68 121.29 3k0s s LEU 55 Ca 0.55 -2.21 0.25 0.00 -0.22 0.00 0.00 54.13 52.50 3k0s s LEU 55 Cb -0.35 -1.86 0.37 0.00 0.50 0.00 0.00 46.19 44.85 3k0s s LEU 55 CO 0.45 -0.52 1.35 0.41 -1.32 0.00 0.00 176.35 176.71 3k0s n THR 56 N 4.37 0.00 -3.31 3.68 -1.04 -1.26 -4.84 114.28 111.88 3k0s n THR 56 Ca -0.00 -0.38 -0.37 0.00 -2.04 0.00 0.00 64.05 61.25 3k0s n THR 56 Cb 0.40 1.18 -0.06 0.00 -1.82 0.00 0.00 70.33 70.04 3k0s n THR 56 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3k0s s PRO 67 N -2.11 4.09 -0.20 -2.82 0.02 -1.26 -5.04 135.00 127.68 3k0s s PRO 67 Ca 0.28 0.62 -0.26 0.00 0.02 0.00 0.00 61.00 61.66 3k0s s PRO 67 Cb 0.20 -3.06 0.07 0.00 0.02 0.00 0.00 34.50 31.73 3k0s s PRO 67 CO 0.37 0.54 0.69 1.41 -0.33 0.00 0.00 177.00 179.69 3k0s s MET 68 N -1.58 0.88 0.00 5.54 1.75 -1.26 -1.79 119.30 122.84 3k0s s MET 68 Ca 0.34 0.77 -0.10 0.00 -1.25 0.00 0.00 55.69 55.45 3k0s s MET 68 Cb -0.17 0.43 0.01 0.00 2.84 0.00 0.00 34.83 37.94 3k0s s MET 68 CO 0.19 -0.16 0.21 0.00 -0.65 0.00 0.00 175.02 174.61 3k0s s ALA 69 N -0.06 -0.50 0.07 4.11 0.00 0.00 -4.40 121.76 120.98 3k0s s ALA 69 Ca -0.03 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.01 3k0s s ALA 69 Cb -0.04 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3k0s s ALA 69 CO 0.03 -0.25 -0.18 0.20 0.00 0.00 0.00 175.76 175.57 3k0s s GLY 70 N -1.45 1.02 -0.08 0.00 0.00 -1.26 -0.63 107.32 104.91 3k0s s GLY 70 Ca -0.13 -1.06 0.02 0.00 0.00 0.00 0.00 44.72 43.55 3k0s s GLY 70 CO 0.02 -1.05 -0.14 -0.42 0.00 0.00 0.00 173.10 171.52 3k0s s ILE 71 N -1.06 1.29 0.13 0.90 -1.09 0.56 -4.97 121.20 116.96 3k0s s ILE 71 Ca 0.03 -0.55 -0.31 0.00 -2.23 0.00 0.00 60.65 57.59 3k0s s ILE 71 Cb -0.09 -1.18 -0.09 0.00 -1.58 0.00 0.00 42.46 39.52 3k0s s ILE 71 CO 0.03 0.39 1.45 -2.16 -1.23 0.00 0.00 174.94 173.42 3k0s s PRO 72 N 0.81 4.28 0.26 2.79 0.04 -1.26 -0.68 135.00 141.24 3k0s s PRO 72 Ca -0.11 2.17 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 3k0s s PRO 72 Cb -0.15 -3.22 0.45 0.00 0.04 0.00 0.00 34.50 31.61 3k0s s PRO 72 CO 0.02 -0.50 1.83 -0.92 0.04 0.00 0.00 177.00 177.47 3k0s h TYR 73 N 6.81 1.02 0.00 0.56 5.03 -1.46 -1.97 116.97 126.96 3k0s h TYR 73 Ca -0.42 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 60.91 3k0s h TYR 73 Cb 1.21 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 39.17 3k0s h TYR 73 CO 0.66 0.44 -0.04 1.12 -1.32 0.00 0.00 178.16 179.01 3k0s h HIS 74 N 0.93 0.00 0.00 -3.82 2.07 -1.92 -2.94 115.15 109.48 3k0s h HIS 74 Ca 0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.95 3k0s h HIS 74 Cb 0.36 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.32 3k0s h HIS 74 CO -0.03 0.04 -0.50 0.00 -3.07 0.00 0.00 177.93 174.37 3k0s n ALA 75 N -2.34 3.52 -0.23 6.11 0.00 -0.77 -4.78 120.51 122.01 3k0s n ALA 75 Ca -0.03 -3.21 -0.08 0.00 0.00 0.00 0.00 53.44 50.12 3k0s n ALA 75 Cb 0.13 -0.37 0.03 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 1.28 1.26 -0.34 0.00 3.04 -1.29 -2.73 116.25 117.48 3k0s h VAL 76 Ca -0.01 -0.99 -0.02 0.00 -1.01 0.00 0.00 66.70 64.67 3k0s h VAL 76 Cb 1.05 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 3k0s h VAL 76 CO 0.01 0.37 0.11 -0.33 -1.01 0.00 0.00 177.57 176.71 3k0s h GLU 77 N 0.97 0.48 0.00 4.17 4.39 -1.86 -0.21 114.58 122.53 3k0s h GLU 77 Ca 0.20 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3k0s h GLU 77 Cb 0.40 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3k0s h GLU 77 CO 0.01 0.42 -0.04 -0.97 -1.16 0.00 0.00 179.01 177.27 3k0s h ASN 78 N 0.48 0.00 0.18 1.42 -1.24 -1.83 -2.27 115.58 112.32 3k0s h ASN 78 Ca 0.12 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.78 3k0s h ASN 78 Cb 0.14 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.14 3k0s h ASN 78 CO -0.01 0.04 -2.09 -1.22 -1.29 0.00 0.00 177.43 172.86 3k0s n TYR 79 N -3.28 0.67 -0.19 0.67 4.01 -0.25 -3.62 117.16 115.17 3k0s n TYR 79 Ca -0.01 0.19 -0.00 0.00 -0.16 0.00 0.00 57.90 57.91 3k0s n TYR 79 Cb 0.20 -1.10 0.23 0.00 -0.31 0.00 0.00 39.34 38.36 3k0s n TYR 79 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3k0s h LEU 80 N 0.02 0.84 -0.80 7.72 3.38 -0.98 -0.05 115.31 125.44 3k0s h LEU 80 Ca -0.44 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 3k0s h LEU 80 Cb 2.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 3k0s h LEU 80 CO 0.04 0.66 0.35 0.00 0.09 0.00 0.00 178.44 179.58 3k0s h ALA 81 N 1.48 1.04 -0.20 1.53 0.00 -1.57 0.15 119.26 121.70 3k0s h ALA 81 Ca 0.25 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3k0s h ALA 81 Cb -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3k0s h ALA 81 CO -0.04 0.64 -0.41 0.87 0.00 0.00 0.00 179.25 180.30 3k0s h LYS 82 N 1.16 0.63 -0.27 0.00 1.57 -1.43 -1.57 116.57 116.66 3k0s h LYS 82 Ca 0.27 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3k0s h LYS 82 Cb 0.17 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3k0s h LYS 82 CO -0.03 1.03 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.73 3k0s h LEU 83 N 0.32 0.54 -0.98 2.94 3.38 -0.93 -2.69 115.31 117.89 3k0s h LEU 83 Ca 0.01 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 3k0s h LEU 83 Cb 1.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3k0s h LEU 83 CO 0.09 0.79 -0.26 -0.37 0.09 0.00 0.00 178.44 178.79 3k0s h VAL 84 N 0.29 1.26 0.00 1.22 -1.51 -0.96 -1.07 116.25 115.48 3k0s h VAL 84 Ca 0.07 -1.25 -0.01 0.00 -1.23 0.00 0.00 66.70 64.28 3k0s h VAL 84 Cb 0.56 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3k0s h VAL 84 CO 0.03 0.39 -0.02 -1.13 -1.23 0.00 0.00 177.57 175.61 3k0s h ASN 85 N 0.38 0.00 -0.57 4.19 -1.24 -1.17 -0.70 115.58 116.48 3k0s h ASN 85 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3k0s h ASN 85 Cb 0.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.71 3k0s h ASN 85 CO 0.05 0.02 0.00 0.00 -1.29 0.00 0.00 177.43 176.21 3k0s n GLN 86 N -4.03 2.86 -0.45 6.67 6.02 -0.81 -4.92 117.38 122.72 3k0s n GLN 86 Ca -0.03 -2.27 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 3k0s n GLN 86 Cb 0.11 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.73 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 1.21 0.76 3.75 1.08 0.00 -0.27 -4.57 105.19 107.16 3k0s n GLY 87 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.55 4.18 0.44 1.61 0.41 -0.47 -3.48 118.70 120.83 3k0s s GLU 88 Ca 0.00 0.17 -0.21 0.00 -0.41 0.00 0.00 54.97 54.52 3k0s s GLU 88 Cb 0.00 -3.39 -0.10 0.00 -1.78 0.00 0.00 34.13 28.86 3k0s s GLU 88 CO 0.00 0.32 0.98 -1.12 -0.49 0.00 0.00 175.26 174.94 3k0s s SER 89 N 0.20 6.78 -0.06 -0.19 0.01 -1.26 -3.35 113.70 115.83 3k0s s SER 89 Ca 0.19 1.77 0.02 0.00 1.31 0.00 0.00 55.95 59.24 3k0s s SER 89 Cb -0.14 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.56 3k0s s SER 89 CO 0.06 -0.47 -0.13 -0.69 0.41 0.00 0.00 173.24 172.42 3k0s s VAL 90 N -2.08 1.15 -0.14 3.43 1.01 -0.16 -3.32 120.40 120.29 3k0s s VAL 90 Ca 0.63 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 3k0s s VAL 90 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3k0s s VAL 90 CO 0.16 0.36 0.16 0.00 0.00 0.00 0.00 175.10 175.78 3k0s s ALA 91 N 0.61 3.80 -0.17 5.51 0.00 0.07 -1.07 121.76 130.50 3k0s s ALA 91 Ca -0.14 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 3k0s s ALA 91 Cb -0.15 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 3k0s s ALA 91 CO 0.04 0.45 -0.12 0.42 0.00 0.00 0.00 175.76 176.55 3k0s s ILE 92 N -0.54 2.95 -0.83 0.00 -1.09 0.22 -0.06 121.20 121.85 3k0s s ILE 92 Ca 0.14 -0.67 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 3k0s s ILE 92 Cb -0.12 -2.27 0.21 0.00 -1.58 0.00 0.00 42.46 38.69 3k0s s ILE 92 CO 0.03 0.49 0.70 0.00 -1.23 0.00 0.00 174.94 174.93 3k0s n GLU 94 N 2.12 0.31 -4.79 0.00 -0.58 -1.21 -2.19 120.64 114.30 3k0s n GLU 94 Ca 0.22 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.66 3k0s n GLU 94 Cb 0.36 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.09 3k0s n GLU 94 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3k0s s GLN 95 N -1.01 1.67 0.00 3.49 -0.21 -1.26 -3.63 119.66 118.71 3k0s s GLN 95 Ca 0.00 -1.12 0.00 0.00 0.02 0.00 0.00 55.36 54.26 3k0s s GLN 95 Cb 0.00 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 32.12 3k0s s GLN 95 CO 0.00 0.48 0.73 0.39 -2.12 0.00 0.00 175.29 174.77 3k0s n GLU 107 N 1.66 0.00 -4.09 2.91 1.02 -1.26 -4.77 120.64 116.11 3k0s n GLU 107 Ca -0.17 0.60 -0.12 0.00 -0.02 0.00 0.00 57.16 57.45 3k0s n GLU 107 Cb 0.52 -1.23 -0.11 0.00 -0.02 0.00 0.00 31.44 30.60 3k0s n GLU 107 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3k0s s ARG 108 N -1.91 0.61 0.14 3.49 0.52 -1.26 -5.16 118.95 115.37 3k0s s ARG 108 Ca 0.00 -0.91 -0.24 0.00 -0.52 0.00 0.00 55.73 54.06 3k0s s ARG 108 Cb 0.00 -0.26 0.07 0.00 0.52 0.00 0.00 34.95 35.28 3k0s s ARG 108 CO 0.00 0.03 0.66 -1.59 0.02 0.00 0.00 175.30 174.42 3k0s s LYS 109 N -2.19 1.22 -0.26 3.54 -2.85 -1.24 -5.03 119.74 112.93 3k0s s LYS 109 Ca -0.04 -0.46 -0.28 0.00 -1.00 0.00 0.00 55.97 54.19 3k0s s LYS 109 Cb -0.06 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 3k0s s LYS 109 CO -0.01 -0.53 2.11 0.08 0.10 0.00 0.00 175.35 177.10 3k0s s VAL 110 N -3.64 3.13 -0.15 1.79 1.01 -1.26 -3.32 120.40 117.96 3k0s s VAL 110 Ca 0.02 0.14 0.17 0.00 0.00 0.00 0.00 61.98 62.30 3k0s s VAL 110 Cb -0.01 -3.18 -0.24 0.00 0.00 0.00 0.00 36.38 32.94 3k0s s VAL 110 CO -0.12 -0.12 0.42 0.52 0.00 0.00 0.00 175.10 175.81 3k0s n VAL 111 N 7.68 0.00 -3.72 2.92 0.31 0.45 -4.98 118.33 120.99 3k0s n VAL 111 Ca 0.28 -0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 3k0s n VAL 111 Cb 0.46 0.27 -0.10 0.00 -0.91 0.00 0.00 33.84 33.55 3k0s n VAL 111 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3k0s s ARG 112 N -3.05 0.43 -0.06 5.55 3.52 -1.17 -5.01 118.95 119.16 3k0s s ARG 112 Ca -0.04 0.64 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 3k0s s ARG 112 Cb 0.11 0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.64 3k0s s ARG 112 CO 0.69 -0.10 -0.05 0.42 -0.81 0.00 0.00 175.30 175.45 3k0s s ILE 113 N 0.69 0.65 -0.11 4.11 1.01 -1.26 0.72 121.20 127.01 3k0s s ILE 113 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3k0s s ILE 113 Cb -0.05 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 3k0s s ILE 113 CO -0.05 0.26 -0.12 0.68 0.00 0.00 0.00 174.94 175.71 3k0s s VAL 114 N 1.06 3.13 0.13 2.92 -7.23 -0.23 -4.98 120.40 115.19 3k0s s VAL 114 Ca -0.09 -0.65 0.08 0.00 -1.81 0.00 0.00 61.98 59.51 3k0s s VAL 114 Cb -0.14 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 3k0s s VAL 114 CO -0.01 0.54 -0.11 0.42 -0.31 0.00 0.00 175.10 175.63 3k0s s THR 115 N 0.06 3.23 0.39 5.32 -4.23 -1.26 -0.99 115.64 118.16 3k0s s THR 115 Ca -0.05 -1.41 0.07 0.00 -1.18 0.00 0.00 61.69 59.12 3k0s s THR 115 Cb -0.14 -2.53 0.29 0.00 1.34 0.00 0.00 72.50 71.45 3k0s s THR 115 CO 0.04 0.05 2.00 -0.65 -0.54 0.00 0.00 174.62 175.52 3k0s h PRO 116 N 3.44 0.63 -0.28 3.99 0.11 -1.82 -2.79 132.00 135.28 3k0s h PRO 116 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3k0s h PRO 116 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3k0s h PRO 116 CO 0.51 0.41 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 3k0s n GLY 117 N -1.47 0.98 0.19 -0.55 0.00 -1.26 -4.33 105.19 98.75 3k0s n GLY 117 Ca 0.08 -0.57 0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 0.89 0.50 -2.53 2.61 -2.24 -1.06 -3.59 114.28 108.86 3k0s n THR 118 Ca 0.17 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 3k0s n THR 118 Cb 0.46 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.68 4.10 0.00 2.28 -4.36 -1.22 -4.90 121.20 116.42 3k0s s ILE 119 Ca 0.06 1.21 0.00 0.00 -0.26 0.00 0.00 60.65 61.65 3k0s s ILE 119 Cb 0.05 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 40.23 3k0s s ILE 119 CO 0.01 -0.38 0.02 -1.54 0.24 0.00 0.00 174.94 173.29 3k0s n SER 120 N -1.13 0.04 -4.77 4.36 3.41 -1.26 -4.71 113.62 109.56 3k0s n SER 120 Ca 0.08 -0.42 -0.39 0.00 -0.26 0.00 0.00 58.87 57.87 3k0s n SER 120 Cb 0.53 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.06 6.83 0.23 4.04 1.01 -1.26 -4.83 116.67 122.62 3k0s s ASP 121 Ca 0.00 2.41 -0.08 0.00 0.71 0.00 0.00 52.55 55.59 3k0s s ASP 121 Cb 0.00 -2.63 0.24 0.00 1.01 0.00 0.00 42.92 41.55 3k0s s ASP 121 CO 0.00 -0.47 1.87 -0.08 0.21 0.00 0.00 175.17 176.70 3k0s h GLU 122 N 3.20 0.98 0.00 8.23 4.81 -1.95 -2.66 114.58 127.19 3k0s h GLU 122 Ca -0.48 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3k0s h GLU 122 Cb 1.22 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 3k0s h GLU 122 CO 0.65 0.65 -0.01 0.00 -0.73 0.00 0.00 179.01 179.56 3k0s h ALA 123 N 1.34 1.24 -0.01 2.92 0.00 -1.97 -2.43 119.26 120.34 3k0s h ALA 123 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3k0s h ALA 123 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k0s h ALA 123 CO -0.12 0.02 -0.50 1.28 0.00 0.00 0.00 179.25 179.93 3k0s n LEU 124 N -3.45 1.54 -4.70 0.00 4.77 -1.01 -4.81 117.00 109.34 3k0s n LEU 124 Ca -0.03 -0.69 -0.23 0.00 -0.03 0.00 0.00 56.01 55.02 3k0s n LEU 124 Cb 0.11 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 3k0s n LEU 124 CO 0.24 0.30 -0.24 -0.76 -1.33 0.00 0.00 177.39 175.61 3k0s s LEU 125 N -2.37 3.20 -0.22 2.23 1.43 -0.92 -4.81 118.68 117.22 3k0s s LEU 125 Ca 0.13 -0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 52.33 3k0s s LEU 125 Cb 0.14 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 3k0s s LEU 125 CO 0.54 -0.25 0.12 -1.10 0.23 0.00 0.00 176.35 175.89 3k0s s GLN 126 N -3.80 4.04 0.28 1.70 -0.21 -1.26 -4.97 119.66 115.45 3k0s s GLN 126 Ca 0.36 -0.29 -0.02 0.00 0.02 0.00 0.00 55.36 55.43 3k0s s GLN 126 Cb -0.02 -3.42 0.62 0.00 1.00 0.00 0.00 33.01 31.19 3k0s s GLN 126 CO 0.22 0.15 1.61 0.93 -2.12 0.00 0.00 175.29 176.07 3k0s h GLU 127 N 7.18 0.08 -0.35 2.91 5.08 -1.99 -2.85 114.58 124.64 3k0s h GLU 127 Ca -0.38 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.78 3k0s h GLU 127 Cb 1.17 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.28 3k0s h GLU 127 CO 0.68 0.05 -0.14 0.54 -1.00 0.00 0.00 179.01 179.14 3k0s n ARG 128 N -5.39 1.89 -3.77 2.33 1.74 -1.26 -4.72 116.66 107.47 3k0s n ARG 128 Ca 0.19 -3.26 -0.16 0.00 -0.77 0.00 0.00 57.85 53.86 3k0s n ARG 128 Cb 0.63 -1.83 -0.16 0.00 -1.02 0.00 0.00 32.46 30.08 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 -3.28 -0.02 0.69 5.56 -0.21 -1.08 -4.54 119.66 116.78 3k0s s GLN 129 Ca 0.45 0.20 -0.17 0.00 0.02 0.00 0.00 55.36 55.87 3k0s s GLN 129 Cb 0.41 -0.30 0.01 0.00 1.00 0.00 0.00 33.01 34.13 3k0s s GLN 129 CO -0.01 -0.19 1.25 -0.51 -2.12 0.00 0.00 175.29 173.71 3k0s s ASP 130 N 1.21 4.39 -0.20 5.90 1.01 -1.26 -4.66 116.67 123.06 3k0s s ASP 130 Ca -0.07 2.49 -0.03 0.00 0.71 0.00 0.00 52.55 55.65 3k0s s ASP 130 Cb -0.13 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.26 3k0s s ASP 130 CO -0.03 -2.14 0.04 0.21 0.21 0.00 0.00 175.17 173.45 3k0s s ASN 131 N -1.69 2.93 -0.05 0.27 2.47 -1.26 -5.01 114.94 112.60 3k0s s ASN 131 Ca 0.79 -0.83 0.04 0.00 0.42 0.00 0.00 52.86 53.27 3k0s s ASN 131 Cb -0.33 -0.60 -0.03 0.00 -1.45 0.00 0.00 41.25 38.84 3k0s s ASN 131 CO 0.42 -0.31 -0.15 -0.76 -3.72 0.00 0.00 177.10 172.59 3k0s s LEU 132 N 1.85 2.71 0.04 3.21 1.43 -1.26 -4.39 118.68 122.27 3k0s s LEU 132 Ca -0.01 -0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 3k0s s LEU 132 Cb -0.17 -1.55 -0.06 0.00 0.03 0.00 0.00 46.19 44.44 3k0s s LEU 132 CO -0.08 0.34 0.58 -0.22 0.23 0.00 0.00 176.35 177.20 3k0s s LEU 133 N -0.75 4.48 0.09 1.79 2.96 -0.50 -0.85 118.68 125.90 3k0s s LEU 133 Ca 0.12 1.21 0.05 0.00 -0.22 0.00 0.00 54.13 55.28 3k0s s LEU 133 Cb -0.11 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 3k0s s LEU 133 CO 0.01 0.20 -0.12 0.00 -1.32 0.00 0.00 176.35 175.11 3k0s s ALA 134 N -0.69 1.18 -0.01 5.97 0.00 -0.45 -0.01 121.76 127.75 3k0s s ALA 134 Ca 0.30 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.20 3k0s s ALA 134 Cb -0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3k0s s ALA 134 CO 0.18 0.07 -0.18 0.00 0.00 0.00 0.00 175.76 175.83 3k0s s ALA 135 N -1.89 1.49 -0.05 0.00 0.00 0.11 -0.07 121.76 121.35 3k0s s ALA 135 Ca 0.02 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3k0s s ALA 135 Cb -0.06 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3k0s s ALA 135 CO 0.01 0.36 -0.10 -1.50 0.00 0.00 0.00 175.76 174.53 3k0s s ILE 136 N -0.47 0.96 0.02 0.00 2.07 0.59 -1.65 121.20 122.72 3k0s s ILE 136 Ca 0.07 -0.40 0.02 0.00 -1.41 0.00 0.00 60.65 58.92 3k0s s ILE 136 Cb -0.07 -0.88 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 3k0s s ILE 136 CO -0.00 0.31 -0.06 0.86 -1.91 0.00 0.00 174.94 174.13 3k0s s TRP 137 N 0.53 0.51 -0.13 3.50 -0.00 0.19 -3.64 118.94 119.89 3k0s s TRP 137 Ca -0.10 -0.31 -0.00 0.00 -0.00 0.00 0.00 56.10 55.68 3k0s s TRP 137 Cb -0.13 -0.31 0.02 0.00 -0.00 0.00 0.00 33.47 33.05 3k0s s TRP 137 CO 0.02 -0.06 -0.11 -1.14 -0.00 0.00 0.00 176.95 175.66 3k0s s GLN 138 N -0.91 1.91 0.67 5.86 0.74 -1.26 0.15 119.66 126.83 3k0s s GLN 138 Ca -0.05 -0.42 -0.07 0.00 0.05 0.00 0.00 55.36 54.87 3k0s s GLN 138 Cb -0.06 -1.87 0.05 0.00 1.10 0.00 0.00 33.01 32.23 3k0s s GLN 138 CO 0.00 -0.26 0.99 0.34 -0.55 0.00 0.00 175.29 175.81 3k0s s ASP 139 N 1.59 5.04 0.00 6.67 2.15 0.41 -4.91 116.67 127.62 3k0s s ASP 139 Ca 0.05 0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.57 3k0s s ASP 139 Cb -0.13 -1.28 0.00 0.00 -0.30 0.00 0.00 42.92 41.21 3k0s s ASP 139 CO -0.09 -1.45 0.83 -1.54 -0.17 0.00 0.00 175.17 172.74 3k0s n SER 140 N -2.84 2.46 0.07 -0.34 3.41 -1.26 -3.96 113.62 111.17 3k0s n SER 140 Ca 0.07 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 3k0s n SER 140 Cb 0.60 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3k0s n SER 140 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3k0s n LYS 141 N 0.64 0.00 -1.01 4.33 4.81 -1.26 -5.17 118.16 120.50 3k0s n LYS 141 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3k0s n LYS 141 Cb 0.40 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.45 3k0s n LYS 141 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k0s n GLY 142 N 0.95 3.90 3.93 3.14 0.00 -1.25 -5.02 105.19 110.84 3k0s n GLY 142 Ca 0.00 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.01 3.39 -0.07 1.61 0.08 -0.76 -0.44 117.98 118.78 3k0s s PHE 143 Ca 0.00 0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.10 3k0s s PHE 143 Cb 0.00 -1.58 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 3k0s s PHE 143 CO 0.00 0.48 -0.15 0.20 -0.10 0.00 0.00 175.22 175.65 3k0s s GLY 144 N -3.62 0.91 -0.04 4.36 0.00 0.41 -3.86 107.32 105.49 3k0s s GLY 144 Ca 0.34 -0.56 -0.05 0.00 0.00 0.00 0.00 44.72 44.45 3k0s s GLY 144 CO 0.28 -0.05 0.12 -0.47 0.00 0.00 0.00 173.10 172.98 3k0s s TYR 145 N 0.49 -0.10 -0.04 1.90 5.04 -0.70 0.52 117.35 124.47 3k0s s TYR 145 Ca -0.14 0.23 -0.12 0.00 -2.44 0.00 0.00 57.07 54.60 3k0s s TYR 145 Cb -0.15 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.20 3k0s s TYR 145 CO 0.04 -0.10 0.28 0.00 -1.34 0.00 0.00 175.55 174.43 3k0s s ALA 146 N -0.20 -0.71 0.05 3.97 0.00 -0.66 -1.11 121.76 123.10 3k0s s ALA 146 Ca -0.03 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.37 3k0s s ALA 146 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3k0s s ALA 146 CO 0.00 -0.22 -0.09 0.95 0.00 0.00 0.00 175.76 176.41 3k0s s THR 147 N -0.90 0.64 -0.03 0.00 -4.23 -0.56 -0.71 115.64 109.85 3k0s s THR 147 Ca -0.10 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3k0s s THR 147 Cb -0.05 -0.69 0.02 0.00 1.34 0.00 0.00 72.50 73.13 3k0s s THR 147 CO 0.03 -0.34 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.54 3k0s s LEU 148 N -1.57 1.26 -0.49 4.79 2.96 0.98 -1.29 118.68 125.32 3k0s s LEU 148 Ca -0.08 -0.04 -0.20 0.00 -0.22 0.00 0.00 54.13 53.58 3k0s s LEU 148 Cb -0.10 -0.24 0.04 0.00 0.50 0.00 0.00 46.19 46.39 3k0s s LEU 148 CO 0.01 -0.08 0.68 -0.62 -1.32 0.00 0.00 176.35 175.02 3k0s s ASP 149 N 0.90 6.28 0.47 3.68 -1.08 0.16 -1.41 116.67 125.68 3k0s s ASP 149 Ca -0.09 -0.61 0.31 0.00 -0.52 0.00 0.00 52.55 51.64 3k0s s ASP 149 Cb -0.13 -2.32 1.32 0.00 -1.46 0.00 0.00 42.92 40.33 3k0s s ASP 149 CO -0.01 -0.90 1.93 -0.29 0.52 0.00 0.00 175.17 176.41 3k0s h ILE 150 N 5.89 0.00 0.07 4.11 2.10 -1.82 0.91 117.51 128.77 3k0s h ILE 150 Ca -0.26 -0.39 -0.18 0.00 1.08 0.00 0.00 64.86 65.11 3k0s h ILE 150 Cb 1.09 1.30 -0.00 0.00 -1.09 0.00 0.00 36.82 38.12 3k0s h ILE 150 CO 0.96 0.00 -0.89 0.28 -1.08 0.00 0.00 178.15 177.41 3k0s h SER 151 N 0.00 0.25 1.32 2.19 0.02 -1.90 -3.37 113.55 112.06 3k0s h SER 151 Ca 0.00 -0.86 -0.03 0.00 -0.84 0.00 0.00 61.79 60.07 3k0s h SER 151 Cb 0.43 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3k0s h SER 151 CO 0.00 1.39 -0.69 0.77 -1.14 0.00 0.00 176.83 177.16 3k0s h SER 152 N -0.61 0.00 0.00 3.07 4.64 -1.79 -3.36 113.55 115.50 3k0s h SER 152 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3k0s h SER 152 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 3k0s h SER 152 CO 0.02 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3k0s n GLY 153 N 1.18 0.67 3.65 -0.77 0.00 0.30 -4.89 105.19 105.33 3k0s n GLY 153 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.06 4.01 -0.12 1.61 3.52 -1.21 -4.66 118.95 122.04 3k0s s ARG 154 Ca 0.00 2.07 -0.01 0.00 -0.13 0.00 0.00 55.73 57.66 3k0s s ARG 154 Cb 0.00 -4.04 0.03 0.00 -1.56 0.00 0.00 34.95 29.38 3k0s s ARG 154 CO 0.00 -1.05 -0.07 0.12 -0.81 0.00 0.00 175.30 173.49 3k0s s PHE 155 N 4.64 1.48 0.06 5.12 5.36 -1.26 -0.66 117.98 132.72 3k0s s PHE 155 Ca 0.76 -0.79 0.07 0.00 -0.96 0.00 0.00 56.93 56.01 3k0s s PHE 155 Cb -0.32 -1.23 -0.03 0.00 -0.34 0.00 0.00 43.02 41.11 3k0s s PHE 155 CO 0.31 -0.53 -0.19 1.03 -1.46 0.00 0.00 175.22 174.38 3k0s s ARG 156 N 1.71 1.18 0.01 10.12 1.81 -0.41 -1.88 118.95 131.50 3k0s s ARG 156 Ca 0.04 -0.97 0.04 0.00 -1.72 0.00 0.00 55.73 53.12 3k0s s ARG 156 Cb -0.13 -1.31 -0.01 0.00 -0.45 0.00 0.00 34.95 33.04 3k0s s ARG 156 CO -0.08 0.32 -0.12 -1.17 -0.68 0.00 0.00 175.30 173.57 3k0s s LEU 157 N -1.41 2.09 0.16 2.53 0.20 0.59 -1.50 118.68 121.35 3k0s s LEU 157 Ca 0.05 -0.32 -0.13 0.00 0.69 0.00 0.00 54.13 54.42 3k0s s LEU 157 Cb -0.09 -0.57 0.01 0.00 -0.43 0.00 0.00 46.19 45.11 3k0s s LEU 157 CO 0.02 0.08 0.37 -0.94 -0.29 0.00 0.00 176.35 175.59 3k0s s SER 158 N -0.69 -0.08 -0.49 3.68 1.04 -0.26 -0.35 113.70 116.54 3k0s s SER 158 Ca 0.02 -0.65 0.08 0.00 0.48 0.00 0.00 55.95 55.88 3k0s s SER 158 Cb -0.06 0.48 0.29 0.00 0.10 0.00 0.00 66.02 66.83 3k0s s SER 158 CO 0.00 -0.93 0.73 -0.62 0.98 0.00 0.00 173.24 173.40 3k0s n GLU 159 N -0.24 1.82 -1.59 4.02 1.02 -1.26 -1.72 120.64 122.69 3k0s n GLU 159 Ca -0.10 -4.01 -0.47 0.00 -0.02 0.00 0.00 57.16 52.56 3k0s n GLU 159 Cb 0.63 -1.83 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.62 1.27 0.07 3.49 -0.02 -1.25 -4.62 135.00 134.56 3k0s n PRO 160 Ca 0.27 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 62.08 3k0s n PRO 160 Cb 0.50 -1.93 -0.13 0.00 -0.02 0.00 0.00 33.50 31.92 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 3.09 0.30 -2.44 3.55 0.00 -1.95 -2.02 119.26 119.79 3k0s h ALA 161 Ca -0.42 -1.00 -0.44 0.00 0.00 0.00 0.00 54.91 53.05 3k0s h ALA 161 Cb 1.34 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 19.05 3k0s h ALA 161 CO 0.68 1.17 -0.54 0.16 0.00 0.00 0.00 179.25 180.73 3k0s s ASP 162 N -6.84 1.63 0.06 0.00 1.47 -1.26 -4.63 116.67 107.09 3k0s s ASP 162 Ca -0.03 -1.62 -0.25 0.00 1.18 0.00 0.00 52.55 51.83 3k0s s ASP 162 Cb 0.08 0.45 -0.17 0.00 -0.34 0.00 0.00 42.92 42.95 3k0s s ASP 162 CO 0.85 -0.94 1.57 -0.09 0.68 0.00 0.00 175.17 177.24 3k0s h ARG 163 N 2.17 -0.17 -0.25 2.11 2.43 -1.99 -2.27 114.38 116.40 3k0s h ARG 163 Ca -0.31 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.91 3k0s h ARG 163 Cb 1.25 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.80 3k0s h ARG 163 CO 0.48 0.00 0.01 0.93 -1.51 0.00 0.00 179.97 179.88 3k0s h GLU 164 N -0.31 0.08 -1.01 0.20 3.07 -1.98 0.23 114.58 114.86 3k0s h GLU 164 Ca -0.02 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 3k0s h GLU 164 Cb 0.25 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.08 3k0s h GLU 164 CO 0.03 0.05 0.66 1.15 -1.40 0.00 0.00 179.01 179.50 3k0s h THR 165 N 0.08 1.13 -0.55 1.13 2.02 -1.98 0.23 112.91 114.97 3k0s h THR 165 Ca 0.12 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 3k0s h THR 165 Cb 0.15 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 3k0s h THR 165 CO -0.19 0.22 0.05 -0.03 0.37 0.00 0.00 175.52 175.94 3k0s h MET 166 N 1.22 0.94 -0.61 6.66 1.85 -0.63 -1.11 114.93 123.26 3k0s h MET 166 Ca 0.42 -0.27 -0.00 0.00 -0.61 0.00 0.00 59.70 59.23 3k0s h MET 166 Cb 0.10 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 3k0s h MET 166 CO -0.15 0.93 0.37 0.00 -0.40 0.00 0.00 176.91 177.66 3k0s h ALA 167 N 0.98 0.77 -0.10 0.39 0.00 0.56 -1.53 119.26 120.33 3k0s h ALA 167 Ca 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3k0s h ALA 167 Cb 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3k0s h ALA 167 CO 0.02 0.24 0.04 0.00 0.00 0.00 0.00 179.25 179.55 3k0s h ALA 168 N 1.19 0.12 -0.81 0.00 0.00 -0.33 -2.18 119.26 117.26 3k0s h ALA 168 Ca 0.22 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.27 3k0s h ALA 168 Cb -0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 3k0s h ALA 168 CO -0.04 -0.41 0.40 0.93 0.00 0.00 0.00 179.25 180.12 3k0s h GLU 169 N 0.10 0.58 -0.29 0.00 4.39 -0.81 0.15 114.58 118.70 3k0s h GLU 169 Ca 0.04 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 3k0s h GLU 169 Cb 0.02 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3k0s h GLU 169 CO -0.04 0.38 0.07 -0.07 -1.16 0.00 0.00 179.01 178.20 3k0s h LEU 170 N 0.59 0.44 -0.07 1.33 3.38 -0.97 -1.10 115.31 118.92 3k0s h LEU 170 Ca 0.43 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3k0s h LEU 170 Cb 0.58 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3k0s h LEU 170 CO -0.35 0.56 -0.11 -0.61 0.09 0.00 0.00 178.44 178.02 3k0s h GLN 171 N 0.31 -0.15 0.01 1.13 5.75 -0.75 0.34 115.11 121.75 3k0s h GLN 171 Ca 0.09 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3k0s h GLN 171 Cb 0.29 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.87 3k0s h GLN 171 CO 0.00 -0.10 -0.01 -0.09 -2.65 0.00 0.00 178.83 175.99 3k0s h ARG 172 N -0.15 -0.01 0.00 1.69 2.43 -0.87 -3.21 114.38 114.24 3k0s h ARG 172 Ca 0.06 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 3k0s h ARG 172 Cb 0.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3k0s h ARG 172 CO -0.16 0.05 -0.81 1.79 -1.51 0.00 0.00 179.97 179.33 3k0s h THR 173 N -0.07 1.33 -6.84 0.20 1.35 -1.08 -3.48 112.91 104.32 3k0s h THR 173 Ca -0.00 -2.89 -0.57 0.00 -0.55 0.00 0.00 66.41 62.40 3k0s h THR 173 Cb 0.07 2.65 -0.04 0.00 -1.73 0.00 0.00 68.15 69.10 3k0s h THR 173 CO 0.00 0.76 -0.99 -3.20 -0.25 0.00 0.00 175.52 171.84 3k0s n ASN 174 N -3.29 -3.06 -4.74 5.36 5.15 0.12 -4.84 115.26 109.96 3k0s n ASN 174 Ca 0.00 -1.24 -0.41 0.00 -0.60 0.00 0.00 54.58 52.33 3k0s n ASN 174 Cb 0.85 -1.99 0.00 0.00 -0.53 0.00 0.00 39.78 38.11 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 -4.81 2.30 0.23 1.20 -0.02 -1.26 -4.76 135.00 127.88 3k0s n PRO 175 Ca -0.16 0.81 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 3k0s n PRO 175 Cb 0.60 -2.51 0.32 0.00 -0.02 0.00 0.00 33.50 31.90 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 2.56 1.00 -2.94 3.55 0.00 -1.32 -3.44 119.26 118.67 3k0s h ALA 176 Ca -0.49 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 3k0s h ALA 176 Cb 1.27 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.79 3k0s h ALA 176 CO 0.62 0.00 -0.38 -2.00 0.00 0.00 0.00 179.25 177.50 3k0s s GLU 177 N -3.33 0.33 -0.16 0.00 2.12 -1.20 -4.29 118.70 112.16 3k0s s GLU 177 Ca 0.06 0.51 -0.02 0.00 0.36 0.00 0.00 54.97 55.88 3k0s s GLU 177 Cb 0.06 0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.57 3k0s s GLU 177 CO 0.63 -0.09 -0.00 -1.17 -0.54 0.00 0.00 175.26 174.09 3k0s s LEU 178 N 0.64 1.29 0.06 2.70 2.96 0.19 -1.34 118.68 125.19 3k0s s LEU 178 Ca -0.04 -0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 52.97 3k0s s LEU 178 Cb -0.05 -0.70 -0.06 0.00 0.50 0.00 0.00 46.19 45.88 3k0s s LEU 178 CO -0.04 -0.24 0.74 -0.76 -1.32 0.00 0.00 176.35 174.73 3k0s s LEU 179 N 1.78 4.48 0.01 -0.68 1.43 0.90 -0.73 118.68 125.88 3k0s s LEU 179 Ca 0.00 1.45 -0.01 0.00 -1.03 0.00 0.00 54.13 54.54 3k0s s LEU 179 Cb -0.16 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 3k0s s LEU 179 CO -0.07 0.07 0.01 -0.72 0.23 0.00 0.00 176.35 175.87 3k0s s TYR 180 N -0.33 0.14 0.55 0.29 1.13 -0.64 -0.30 117.35 118.20 3k0s s TYR 180 Ca 0.37 -0.29 -0.20 0.00 -1.41 0.00 0.00 57.07 55.54 3k0s s TYR 180 Cb -0.21 -0.11 -0.05 0.00 -1.10 0.00 0.00 41.96 40.49 3k0s s TYR 180 CO 0.23 -0.15 1.20 0.00 -2.51 0.00 0.00 175.55 174.32 3k0s s ALA 181 N -1.00 2.69 0.41 9.51 0.00 -1.24 -0.95 121.76 131.17 3k0s s ALA 181 Ca -0.11 0.99 0.12 0.00 0.00 0.00 0.00 51.96 52.97 3k0s s ALA 181 Cb -0.07 -3.43 0.85 0.00 0.00 0.00 0.00 23.12 20.47 3k0s s ALA 181 CO -0.00 -1.00 1.92 1.05 0.00 0.00 0.00 175.76 177.72 3k0s h GLU 182 N 1.25 0.07 -0.58 0.00 4.11 -1.60 -2.49 114.58 115.34 3k0s h GLU 182 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.91 3k0s h GLU 182 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3k0s h GLU 182 CO 0.57 0.30 0.00 -0.40 0.07 0.00 0.00 179.01 179.55 3k0s n ASP 183 N -4.24 2.64 -4.68 3.06 5.75 -1.26 -4.93 116.55 112.88 3k0s n ASP 183 Ca -0.02 -2.23 -0.43 0.00 -0.01 0.00 0.00 54.79 52.10 3k0s n ASP 183 Cb 0.30 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 3k0s n ASP 183 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3k0s n PHE 184 N 0.44 2.53 0.04 2.11 7.35 -0.94 -4.91 117.46 124.08 3k0s n PHE 184 Ca 0.13 -0.15 -0.18 0.00 -0.76 0.00 0.00 57.45 56.49 3k0s n PHE 184 Cb 0.51 -2.72 -0.14 0.00 0.35 0.00 0.00 39.48 37.48 3k0s n PHE 184 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3k0s h ALA 185 N 8.89 0.37 -0.44 3.13 0.00 -1.91 -3.39 119.26 125.91 3k0s h ALA 185 Ca -0.47 -1.26 -0.43 0.00 0.00 0.00 0.00 54.91 52.75 3k0s h ALA 185 Cb 1.24 0.49 -0.15 0.00 0.00 0.00 0.00 17.79 19.36 3k0s h ALA 185 CO 0.94 1.23 0.27 0.39 0.00 0.00 0.00 179.25 182.08 3k0s n GLU 186 N -3.44 2.27 0.10 0.00 -0.58 -1.26 -4.72 120.64 113.01 3k0s n GLU 186 Ca -0.23 -2.04 0.20 0.00 -0.42 0.00 0.00 57.16 54.67 3k0s n GLU 186 Cb 1.05 -2.06 0.68 0.00 -0.57 0.00 0.00 31.44 30.55 3k0s n GLU 186 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 3k0s h MET 187 N 2.83 0.00 0.00 3.49 2.86 -2.00 0.10 114.93 122.21 3k0s h MET 187 Ca 0.35 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 3k0s h MET 187 Cb 0.86 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 3k0s h MET 187 CO 0.76 0.00 -0.07 0.66 1.06 0.00 0.00 176.91 179.32 3k0s h SER 188 N 0.00 0.00 -0.25 1.22 4.64 -1.98 0.24 113.55 117.43 3k0s h SER 188 Ca 0.19 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.42 3k0s h SER 188 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 3k0s h SER 188 CO -0.00 0.07 -0.15 -0.07 -0.87 0.00 0.00 176.83 175.81 3k0s h LEU 189 N 0.00 0.67 0.00 5.97 3.38 -1.20 -3.39 115.31 120.74 3k0s h LEU 189 Ca -0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3k0s h LEU 189 Cb 0.36 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3k0s h LEU 189 CO 0.01 0.83 -1.09 2.30 0.09 0.00 0.00 178.44 180.58 3k0s n ILE 190 N -4.16 0.00 -0.19 1.22 -5.35 -0.87 -4.84 119.36 105.17 3k0s n ILE 190 Ca 0.01 -0.05 0.16 0.00 -0.27 0.00 0.00 62.75 62.60 3k0s n ILE 190 Cb 0.37 0.41 0.50 0.00 -1.74 0.00 0.00 39.64 39.18 3k0s n ILE 190 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 3k0s h GLU 191 N 0.00 0.42 0.00 6.28 4.11 -0.73 0.09 114.58 124.75 3k0s h GLU 191 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3k0s h GLU 191 Cb 0.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3k0s h GLU 191 CO 0.00 0.28 0.00 0.41 0.07 0.00 0.00 179.01 179.77 3k0s n GLY 192 N -1.51 -1.28 3.82 1.06 0.00 -1.26 -4.93 105.19 101.08 3k0s n GLY 192 Ca 0.16 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.91 3.69 0.59 1.61 0.52 0.02 -5.06 118.95 117.41 3k0s s ARG 193 Ca 0.14 1.11 -0.14 0.00 -0.52 0.00 0.00 55.73 56.32 3k0s s ARG 193 Cb 0.16 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 3k0s s ARG 193 CO 0.43 -0.50 1.03 -0.98 0.02 0.00 0.00 175.30 175.30 3k0s s ARG 194 N -3.93 3.50 -1.31 3.54 1.70 -1.26 -4.24 118.95 116.94 3k0s s ARG 194 Ca 0.62 1.00 -0.01 0.00 -0.47 0.00 0.00 55.73 56.87 3k0s s ARG 194 Cb -0.13 -2.07 0.00 0.00 -0.57 0.00 0.00 34.95 32.19 3k0s s ARG 194 CO 0.31 -0.65 0.16 0.41 -1.08 0.00 0.00 175.30 174.46 3k0s n GLY 195 N -1.65 -0.28 3.74 3.88 0.00 -1.23 -4.50 105.19 105.16 3k0s n GLY 195 Ca 0.07 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.83 4.41 -0.24 0.99 1.43 -1.26 0.56 118.68 119.74 3k0s s LEU 196 Ca 0.08 2.45 -0.02 0.00 -1.03 0.00 0.00 54.13 55.61 3k0s s LEU 196 Cb -0.04 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.65 3k0s s LEU 196 CO 0.10 -0.56 0.05 -0.13 0.23 0.00 0.00 176.35 176.05 3k0s s ARG 197 N -0.18 0.74 -0.05 1.70 1.81 0.10 -4.88 118.95 118.18 3k0s s ARG 197 Ca 0.57 -0.71 -0.30 0.00 -1.72 0.00 0.00 55.73 53.57 3k0s s ARG 197 Cb -0.37 -2.06 -0.02 0.00 -0.45 0.00 0.00 34.95 32.04 3k0s s ARG 197 CO 0.39 -0.78 1.01 0.50 -0.68 0.00 0.00 175.30 175.74 3k0s s ARG 198 N 1.74 4.48 0.19 3.54 3.52 -1.26 -1.61 118.95 129.55 3k0s s ARG 198 Ca 0.03 1.43 0.10 0.00 -0.13 0.00 0.00 55.73 57.16 3k0s s ARG 198 Cb -0.17 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 3k0s s ARG 198 CO -0.16 -0.21 -0.21 1.03 -0.81 0.00 0.00 175.30 174.94 3k0s s ARG 199 N 1.56 1.45 0.70 5.12 1.81 -0.12 -4.94 118.95 124.53 3k0s s ARG 199 Ca 0.51 -1.51 -0.15 0.00 -1.72 0.00 0.00 55.73 52.85 3k0s s ARG 199 Cb -0.20 -1.64 0.02 0.00 -0.45 0.00 0.00 34.95 32.68 3k0s s ARG 199 CO 0.23 0.34 1.19 -2.14 -0.68 0.00 0.00 175.30 174.24 3k0s s PRO 200 N -2.83 2.36 0.40 3.54 0.02 -1.26 -1.66 135.00 135.57 3k0s s PRO 200 Ca 0.20 1.70 0.17 0.00 0.02 0.00 0.00 61.00 63.09 3k0s s PRO 200 Cb -0.07 -1.87 0.85 0.00 0.02 0.00 0.00 34.50 33.44 3k0s s PRO 200 CO 0.09 -1.66 1.85 1.25 -0.33 0.00 0.00 177.00 178.21 3k0s h LEU 201 N -0.10 0.00 -0.62 -5.54 5.85 -1.95 -2.83 115.31 110.12 3k0s h LEU 201 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3k0s h LEU 201 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3k0s h LEU 201 CO 0.51 0.33 0.00 -2.67 -0.34 0.00 0.00 178.44 176.27 3k0s n TRP 202 N -3.87 0.76 0.79 1.25 4.27 -1.26 -1.07 117.44 118.30 3k0s n TRP 202 Ca -0.01 0.29 0.10 0.00 -3.89 0.00 0.00 57.50 53.99 3k0s n TRP 202 Cb 0.40 -0.98 0.46 0.00 -1.36 0.00 0.00 31.31 29.83 3k0s n TRP 202 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 3k0s n GLU 203 N -2.19 0.11 -1.96 -2.67 1.02 -1.07 -3.60 120.64 110.27 3k0s n GLU 203 Ca 0.02 0.13 -0.29 0.00 -0.02 0.00 0.00 57.16 57.00 3k0s n GLU 203 Cb 0.24 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.19 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 3.05 -4.09 -0.32 3.72 -0.24 -3.58 117.46 114.58 3k0s n PHE 204 Ca 0.07 -2.64 -0.36 0.00 -0.05 0.00 0.00 57.45 54.47 3k0s n PHE 204 Cb 0.21 -0.65 -0.08 0.00 -0.94 0.00 0.00 39.48 38.02 3k0s n PHE 204 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3k0s s GLU 205 N -3.70 3.38 0.14 -1.08 -6.30 -1.24 -4.89 118.70 105.01 3k0s s GLU 205 Ca 0.54 -0.28 -0.16 0.00 -2.50 0.00 0.00 54.97 52.57 3k0s s GLU 205 Cb 0.43 -3.04 -0.00 0.00 0.00 0.00 0.00 34.13 31.52 3k0s s GLU 205 CO -0.09 0.65 1.73 0.97 0.02 0.00 0.00 175.26 178.54 3k0s h ILE 206 N 4.23 1.16 -0.62 -3.70 6.09 -1.94 -1.27 117.51 121.46 3k0s h ILE 206 Ca -0.50 -0.45 -0.05 0.00 -1.37 0.00 0.00 64.86 62.50 3k0s h ILE 206 Cb 1.20 0.73 -0.03 0.00 0.47 0.00 0.00 36.82 39.20 3k0s h ILE 206 CO 0.59 0.17 0.20 0.44 -3.07 0.00 0.00 178.15 176.48 3k0s h ASP 207 N 0.50 0.90 0.45 2.19 3.32 -1.99 0.00 116.42 121.79 3k0s h ASP 207 Ca 0.14 -0.20 -0.26 0.00 0.02 0.00 0.00 57.03 56.72 3k0s h ASP 207 Cb 0.09 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.41 3k0s h ASP 207 CO -0.02 0.87 -1.14 0.71 -1.72 0.00 0.00 179.24 177.94 3k0s h THR 208 N 0.89 1.43 -0.73 0.35 1.35 -1.98 -2.38 112.91 111.84 3k0s h THR 208 Ca 0.20 -2.75 0.08 0.00 -0.55 0.00 0.00 66.41 63.39 3k0s h THR 208 Cb 0.28 2.72 -0.07 0.00 -1.73 0.00 0.00 68.15 69.36 3k0s h THR 208 CO -0.01 0.81 0.39 0.00 -0.25 0.00 0.00 175.52 176.47 3k0s h ALA 209 N 0.59 1.00 0.54 6.62 0.00 -1.04 -0.38 119.26 126.60 3k0s h ALA 209 Ca -0.13 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3k0s h ALA 209 Cb 1.82 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.52 3k0s h ALA 209 CO 0.20 0.03 -0.26 0.00 0.00 0.00 0.00 179.25 179.22 3k0s h ARG 210 N 0.69 -0.70 -0.58 0.00 3.08 -0.96 -1.00 114.38 114.91 3k0s h ARG 210 Ca 0.34 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.56 3k0s h ARG 210 Cb 0.29 0.16 -0.11 0.00 0.08 0.00 0.00 29.97 30.39 3k0s h ARG 210 CO -0.23 -0.40 -0.15 0.37 -1.07 0.00 0.00 179.97 178.50 3k0s h GLN 211 N -0.93 -0.00 0.04 0.04 4.15 -1.31 0.34 115.11 117.43 3k0s h GLN 211 Ca -0.07 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3k0s h GLN 211 Cb 0.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.32 3k0s h GLN 211 CO 0.12 -0.00 -0.02 1.96 -1.93 0.00 0.00 178.83 178.96 3k0s h GLN 212 N -0.00 -0.05 -0.04 1.69 4.20 -1.05 -0.43 115.11 119.43 3k0s h GLN 212 Ca 0.28 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.00 3k0s h GLN 212 Cb 0.43 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3k0s h GLN 212 CO -0.60 0.04 -0.01 -0.07 -0.67 0.00 0.00 178.83 177.52 3k0s h LEU 213 N -0.12 -0.05 -0.90 1.46 3.38 -0.55 0.00 115.31 118.53 3k0s h LEU 213 Ca -0.01 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.09 3k0s h LEU 213 Cb 0.11 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 3k0s h LEU 213 CO 0.01 -0.02 0.53 0.78 0.09 0.00 0.00 178.44 179.83 3k0s h ASN 214 N -0.01 0.76 0.51 -0.43 2.35 -0.31 -1.47 115.58 116.98 3k0s h ASN 214 Ca 0.02 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3k0s h ASN 214 Cb 0.04 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3k0s h ASN 214 CO -0.05 0.41 -0.24 0.25 -1.65 0.00 0.00 177.43 176.15 3k0s h LEU 215 N 0.86 -0.58 -0.84 1.61 5.85 -0.38 0.11 115.31 121.94 3k0s h LEU 215 Ca 0.44 -0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.36 3k0s h LEU 215 Cb 0.44 0.15 -0.12 0.00 0.37 0.00 0.00 40.66 41.50 3k0s h LEU 215 CO -0.27 -0.37 0.29 -0.61 -0.34 0.00 0.00 178.44 177.15 3k0s h GLN 216 N -0.74 0.32 -0.00 1.25 5.75 -0.75 -1.22 115.11 119.72 3k0s h GLN 216 Ca -0.07 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3k0s h GLN 216 Cb 0.55 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.03 3k0s h GLN 216 CO 0.11 0.21 -0.32 1.19 -2.65 0.00 0.00 178.83 177.38 3k0s n PHE 217 N -5.11 0.00 -3.46 3.99 3.72 -0.58 -4.86 117.46 111.16 3k0s n PHE 217 Ca 0.19 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.40 3k0s n PHE 217 Cb 0.59 -0.25 0.09 0.00 -0.94 0.00 0.00 39.48 38.96 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 -0.40 3.38 1.37 0.00 -0.22 -5.01 105.19 105.73 3k0s n GLY 218 Ca 0.09 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.34 2.06 -0.00 2.61 -4.23 -0.15 -5.04 115.64 107.55 3k0s s THR 219 Ca 0.19 -2.08 -0.22 0.00 -1.18 0.00 0.00 61.69 58.40 3k0s s THR 219 Cb -0.08 -2.03 -0.19 0.00 1.34 0.00 0.00 72.50 71.54 3k0s s THR 219 CO 0.72 -0.33 1.20 -0.09 -0.54 0.00 0.00 174.62 175.58 3k0s h ARG 220 N 2.95 0.26 -4.66 3.99 2.43 -1.96 -3.41 114.38 113.98 3k0s h ARG 220 Ca -0.42 -0.19 -0.42 0.00 -0.81 0.00 0.00 59.98 58.14 3k0s h ARG 220 Cb 1.22 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.69 3k0s h ARG 220 CO 0.54 0.82 -0.38 0.16 -1.51 0.00 0.00 179.97 179.59 3k0s s ASP 221 N -6.21 1.51 -0.10 -3.80 1.47 -1.26 -4.99 116.67 103.29 3k0s s ASP 221 Ca -0.15 -1.70 0.18 0.00 1.18 0.00 0.00 52.55 52.06 3k0s s ASP 221 Cb 0.03 0.60 0.69 0.00 -0.34 0.00 0.00 42.92 43.90 3k0s s ASP 221 CO 0.75 -1.16 1.59 0.18 0.68 0.00 0.00 175.17 177.20 3k0s n LEU 222 N -0.62 4.52 -0.21 2.11 4.77 -1.26 -4.55 117.00 121.76 3k0s n LEU 222 Ca 0.06 -2.28 0.01 0.00 -0.03 0.00 0.00 56.01 53.77 3k0s n LEU 222 Cb 0.62 -0.56 0.12 0.00 -2.33 0.00 0.00 43.42 41.27 3k0s n LEU 222 CO 0.31 0.78 0.96 0.58 -1.33 0.00 0.00 177.39 178.70 3k0s h VAL 223 N 3.93 0.71 0.00 4.08 2.07 -1.94 -0.59 116.25 124.50 3k0s h VAL 223 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3k0s h VAL 223 Cb 1.37 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3k0s h VAL 223 CO 0.21 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.48 3k0s n GLY 224 N -1.31 -0.77 0.26 2.17 0.00 -1.26 -1.02 105.19 103.26 3k0s n GLY 224 Ca 0.09 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3k0s n GLY 224 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k0s n PHE 225 N -1.47 0.00 -2.10 1.61 3.72 -0.26 -5.00 117.46 113.96 3k0s n PHE 225 Ca 0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.33 3k0s n PHE 225 Cb 0.10 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 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 1.31 0.07 0.00 1.37 0.00 -0.19 -4.42 105.19 103.34 3k0s n GLY 226 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.88 0.40 0.08 1.61 0.24 -1.22 -4.74 118.33 110.82 3k0s n VAL 227 Ca -0.12 -0.45 0.17 0.00 -2.04 0.00 0.00 64.34 61.91 3k0s n VAL 227 Cb 0.56 0.88 0.68 0.00 -1.47 0.00 0.00 33.84 34.50 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 0.00 -0.43 7.34 4.57 -1.87 -1.56 114.58 122.62 3k0s h GLU 228 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.88 3k0s h GLU 228 Cb 0.67 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.05 3k0s h GLU 228 CO 0.00 0.00 -0.47 0.27 -1.18 0.00 0.00 179.01 177.63 3k0s n ASN 229 N -4.38 3.52 -3.12 1.04 0.23 -1.26 -4.74 115.26 106.54 3k0s n ASN 229 Ca 0.06 -3.82 -0.29 0.00 -0.53 0.00 0.00 54.58 50.01 3k0s n ASN 229 Cb 0.47 -0.50 -0.04 0.00 -2.08 0.00 0.00 39.78 37.62 3k0s n ASN 229 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3k0s n ALA 230 N -0.94 4.70 -0.18 -2.53 0.00 -0.59 -4.97 120.51 115.99 3k0s n ALA 230 Ca 0.35 -4.72 -0.00 0.00 0.00 0.00 0.00 53.44 49.07 3k0s n ALA 230 Cb 0.87 -0.92 0.09 0.00 0.00 0.00 0.00 19.45 19.49 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 3.37 0.17 -0.47 0.00 0.11 -1.85 -0.12 132.00 133.21 3k0s h PRO 231 Ca 0.18 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 3k0s h PRO 231 Cb 0.52 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 3k0s h PRO 231 CO 0.87 0.11 0.15 0.00 -0.21 0.00 0.00 178.00 178.92 3k0s h ARG 232 N 0.17 0.73 -0.54 1.05 3.08 -1.93 0.10 114.38 117.04 3k0s h ARG 232 Ca 0.29 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 60.22 3k0s h ARG 232 Cb 0.45 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 3k0s h ARG 232 CO -0.43 0.69 0.30 0.78 -1.07 0.00 0.00 179.97 180.24 3k0s h GLY 233 N 0.62 0.76 1.84 0.04 0.00 -1.55 -2.89 103.07 101.90 3k0s h GLY 233 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 3k0s h GLY 233 CO -0.01 0.16 -0.26 1.41 0.00 0.00 0.00 176.54 177.85 3k0s h LEU 234 N 0.59 0.19 -0.41 3.11 3.38 -0.34 -1.02 115.31 120.81 3k0s h LEU 234 Ca 0.23 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3k0s h LEU 234 Cb 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3k0s h LEU 234 CO -0.13 0.46 0.05 0.00 0.09 0.00 0.00 178.44 178.91 3k0s h ALA 236 N 0.92 0.44 -0.46 0.00 0.00 -1.24 -1.75 119.26 117.17 3k0s h ALA 236 Ca 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3k0s h ALA 236 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3k0s h ALA 236 CO 0.01 -0.01 0.03 0.00 0.00 0.00 0.00 179.25 179.29 3k0s h ALA 237 N 1.02 1.20 0.03 0.00 0.00 -1.05 -1.71 119.26 118.75 3k0s h ALA 237 Ca 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3k0s h ALA 237 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3k0s h ALA 237 CO -0.02 0.53 -0.10 0.78 0.00 0.00 0.00 179.25 180.45 3k0s h GLY 238 N 0.94 -0.13 0.97 0.00 0.00 -0.12 -1.43 103.07 103.30 3k0s h GLY 238 Ca 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3k0s h GLY 238 CO 0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 176.54 176.36 3k0s h LEU 240 N -0.22 -0.27 -1.05 0.00 6.46 -1.23 -1.59 115.31 117.40 3k0s h LEU 240 Ca -0.02 0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 3k0s h LEU 240 Cb 0.18 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 3k0s h LEU 240 CO 0.02 -0.09 -0.11 0.25 -0.62 0.00 0.00 178.44 177.89 3k0s h LEU 241 N 0.04 0.53 -0.29 2.25 5.85 -1.14 -0.36 115.31 122.19 3k0s h LEU 241 Ca 0.19 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3k0s h LEU 241 Cb 0.28 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3k0s h LEU 241 CO -0.36 0.68 0.01 1.56 -0.34 0.00 0.00 178.44 179.98 3k0s h GLN 242 N 0.50 0.51 -0.89 1.25 1.08 -1.04 -1.26 115.11 115.27 3k0s h GLN 242 Ca 0.09 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3k0s h GLN 242 Cb 0.50 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 3k0s h GLN 242 CO 0.03 0.65 0.58 -0.92 -0.95 0.00 0.00 178.83 178.23 3k0s h TYR 243 N 0.31 1.10 -0.29 2.96 3.20 -0.74 0.28 116.97 123.79 3k0s h TYR 243 Ca 0.08 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3k0s h TYR 243 Cb 0.42 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3k0s h TYR 243 CO 0.03 0.68 -0.16 0.00 -1.64 0.00 0.00 178.16 177.08 3k0s h ALA 244 N 1.33 0.40 -0.77 1.82 0.00 -0.95 -1.22 119.26 119.89 3k0s h ALA 244 Ca 0.33 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3k0s h ALA 244 Cb -0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3k0s h ALA 244 CO -0.08 0.31 0.46 0.87 0.00 0.00 0.00 179.25 180.80 3k0s h LYS 245 N 0.36 0.81 -0.11 0.00 1.57 -1.03 -2.43 116.57 115.73 3k0s h LYS 245 Ca 0.06 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3k0s h LYS 245 Cb 0.68 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3k0s h LYS 245 CO 0.05 0.54 -0.38 0.22 -0.57 0.00 0.00 179.45 179.30 3k0s h ASP 246 N 0.84 0.24 1.06 0.86 3.58 -0.55 0.61 116.42 123.06 3k0s h ASP 246 Ca 0.34 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.61 3k0s h ASP 246 Cb 0.17 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 3k0s h ASP 246 CO -0.17 0.61 -0.39 0.71 -2.88 0.00 0.00 179.24 177.12 3k0s h THR 247 N 0.20 0.81 0.01 2.25 1.35 -0.90 -3.35 112.91 113.29 3k0s h THR 247 Ca 0.02 -1.66 -0.38 0.00 -0.55 0.00 0.00 66.41 63.85 3k0s h THR 247 Cb 0.77 2.05 -0.07 0.00 -1.73 0.00 0.00 68.15 69.17 3k0s h THR 247 CO 0.06 0.38 -2.38 0.00 -0.25 0.00 0.00 175.52 173.33 3k0s n GLN 248 N -3.41 0.67 -3.69 4.72 1.13 -0.95 -4.96 117.38 110.90 3k0s n GLN 248 Ca 0.01 0.09 -0.28 0.00 -1.94 0.00 0.00 57.00 54.88 3k0s n GLN 248 Cb 0.56 -1.54 0.03 0.00 0.11 0.00 0.00 30.24 29.40 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 -3.03 -5.48 -3.90 -1.09 5.12 0.17 -4.97 116.66 103.47 3k0s n ARG 249 Ca -0.38 0.65 -0.09 0.00 -1.93 0.00 0.00 57.85 56.10 3k0s n ARG 249 Cb 1.07 -5.54 -0.08 0.00 -1.16 0.00 0.00 32.46 26.76 3k0s n ARG 249 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3k0s s THR 250 N -3.23 0.15 0.64 0.55 -1.32 -1.26 -5.13 115.64 106.04 3k0s s THR 250 Ca 0.58 -1.26 -0.18 0.00 -1.21 0.00 0.00 61.69 59.62 3k0s s THR 250 Cb -0.28 -1.32 -0.01 0.00 -1.51 0.00 0.00 72.50 69.37 3k0s s THR 250 CO 0.71 -0.70 1.24 0.42 -2.21 0.00 0.00 174.62 174.09 3k0s s THR 251 N -3.73 2.35 -0.67 5.08 -4.23 -1.26 -4.91 115.64 108.28 3k0s s THR 251 Ca 0.04 0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.81 3k0s s THR 251 Cb 0.05 -3.01 0.20 0.00 1.34 0.00 0.00 72.50 71.07 3k0s s THR 251 CO -0.10 -0.06 0.58 0.18 -0.54 0.00 0.00 174.62 174.68 3k0s n LEU 252 N -1.94 3.10 0.22 4.79 4.77 -1.26 -4.82 117.00 121.85 3k0s n LEU 252 Ca 0.14 -5.25 0.09 0.00 -0.03 0.00 0.00 56.01 50.96 3k0s n LEU 252 Cb 0.49 -0.64 0.47 0.00 -2.33 0.00 0.00 43.42 41.41 3k0s n LEU 252 CO 0.46 1.88 0.80 -0.65 -1.33 0.00 0.00 177.39 178.55 3k0s h PRO 253 N 4.92 0.00 0.00 3.23 0.11 -1.94 -2.56 132.00 135.77 3k0s h PRO 253 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3k0s h PRO 253 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3k0s h PRO 253 CO 0.74 0.24 0.00 -2.39 -0.21 0.00 0.00 178.00 176.38 3k0s n HIS 254 N -3.46 0.00 -3.37 0.65 1.44 -1.26 -4.37 115.22 104.85 3k0s n HIS 254 Ca -0.00 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.25 3k0s n HIS 254 Cb 0.42 -0.22 -0.04 0.00 0.12 0.00 0.00 29.99 30.26 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 -2.45 5.17 0.00 0.61 1.01 -0.96 -4.46 121.20 120.12 3k0s s ILE 255 Ca 0.26 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.90 3k0s s ILE 255 Cb 0.17 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3k0s s ILE 255 CO 0.36 -0.92 0.70 -2.11 0.00 0.00 0.00 174.94 172.96 3k0s n ARG 256 N 4.59 1.21 -3.49 2.79 1.85 -1.26 -4.73 116.66 117.62 3k0s n ARG 256 Ca -0.01 -0.95 -0.13 0.00 -1.00 0.00 0.00 57.85 55.76 3k0s n ARG 256 Cb 0.43 -0.88 -0.04 0.00 -1.05 0.00 0.00 32.46 30.92 3k0s n ARG 256 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3k0s s SER 257 N -0.49 -0.52 -0.02 2.89 0.15 -1.26 -4.88 113.70 109.57 3k0s s SER 257 Ca 0.00 0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.69 3k0s s SER 257 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 3k0s s SER 257 CO 0.00 -0.85 0.12 -0.51 1.20 0.00 0.00 173.24 173.20 3k0s s ILE 258 N -3.13 0.05 0.02 6.45 2.07 -1.26 -4.42 121.20 120.99 3k0s s ILE 258 Ca -0.02 -0.45 0.05 0.00 -1.41 0.00 0.00 60.65 58.83 3k0s s ILE 258 Cb -0.00 -0.33 -0.02 0.00 0.13 0.00 0.00 42.46 42.24 3k0s s ILE 258 CO -0.07 -0.25 -0.15 -0.89 -1.91 0.00 0.00 174.94 171.67 3k0s s THR 259 N -0.83 1.22 -0.04 4.00 2.01 -0.78 -4.78 115.64 116.43 3k0s s THR 259 Ca -0.09 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.85 3k0s s THR 259 Cb -0.05 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 3k0s s THR 259 CO 0.01 0.14 0.35 -0.32 -0.69 0.00 0.00 174.62 174.10 3k0s s MET 260 N -0.91 3.85 -0.37 4.92 1.75 -1.26 -0.30 119.30 126.99 3k0s s MET 260 Ca 0.04 0.29 -0.11 0.00 -1.25 0.00 0.00 55.69 54.66 3k0s s MET 260 Cb -0.07 -3.23 0.03 0.00 2.84 0.00 0.00 34.83 34.39 3k0s s MET 260 CO 0.01 0.67 0.20 -1.21 -0.65 0.00 0.00 175.02 174.04 3k0s s GLU 261 N -0.93 2.80 -0.09 4.11 2.02 0.52 -4.93 118.70 122.21 3k0s s GLU 261 Ca 0.22 -1.09 -0.06 0.00 0.02 0.00 0.00 54.97 54.06 3k0s s GLU 261 Cb -0.15 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 3k0s s GLU 261 CO 0.11 -0.70 0.14 1.03 0.02 0.00 0.00 175.26 175.85 3k0s s ARG 262 N 1.54 3.41 0.22 1.61 0.52 -1.26 -4.51 118.95 120.48 3k0s s ARG 262 Ca 0.02 -0.19 -0.08 0.00 -0.52 0.00 0.00 55.73 54.95 3k0s s ARG 262 Cb -0.19 -3.14 0.25 0.00 0.52 0.00 0.00 34.95 32.38 3k0s s ARG 262 CO 0.06 0.75 1.85 1.49 0.02 0.00 0.00 175.30 179.47 3k0s h GLU 263 N 4.72 0.86 0.00 3.54 4.81 -1.98 -1.11 114.58 125.43 3k0s h GLU 263 Ca -0.53 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 3k0s h GLU 263 Cb 1.22 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3k0s h GLU 263 CO 0.60 0.57 0.00 0.00 -0.73 0.00 0.00 179.01 179.45 3k0s n GLN 264 N -4.66 0.03 0.10 1.92 10.64 -1.26 -2.61 117.38 121.54 3k0s n GLN 264 Ca 0.09 0.34 0.12 0.00 -1.83 0.00 0.00 57.00 55.72 3k0s n GLN 264 Cb 0.12 -1.50 0.13 0.00 -0.86 0.00 0.00 30.24 28.13 3k0s n GLN 264 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 3k0s h ASP 265 N 0.00 0.00 -5.26 2.61 3.32 -1.61 -3.43 116.42 112.05 3k0s h ASP 265 Ca 0.00 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 3k0s h ASP 265 Cb 0.10 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.50 3k0s h ASP 265 CO 0.00 0.05 -0.66 -0.94 -1.72 0.00 0.00 179.24 175.97 3k0s s SER 266 N -4.89 0.45 -0.42 6.45 1.04 -1.07 -1.47 113.70 113.79 3k0s s SER 266 Ca 0.04 -1.01 -0.29 0.00 0.48 0.00 0.00 55.95 55.17 3k0s s SER 266 Cb 0.11 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3k0s s SER 266 CO 0.73 -0.62 1.43 -0.63 0.98 0.00 0.00 173.24 175.13 3k0s s ILE 267 N -3.94 3.87 0.15 -1.02 1.01 -0.12 -4.84 121.20 116.33 3k0s s ILE 267 Ca 0.09 0.88 -0.31 0.00 0.00 0.00 0.00 60.65 61.32 3k0s s ILE 267 Cb 0.08 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 3k0s s ILE 267 CO -0.08 -0.76 1.43 -0.63 0.00 0.00 0.00 174.94 174.90 3k0s s ILE 268 N 5.55 3.05 -0.04 2.92 1.01 -1.04 -4.63 121.20 128.01 3k0s s ILE 268 Ca 0.62 0.78 0.01 0.00 0.00 0.00 0.00 60.65 62.05 3k0s s ILE 268 Cb -0.14 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.86 3k0s s ILE 268 CO 0.33 0.07 -0.03 -0.04 0.00 0.00 0.00 174.94 175.27 3k0s s MET 269 N 0.80 0.66 0.90 2.79 -1.94 -1.26 -2.46 119.30 118.78 3k0s s MET 269 Ca 0.64 -0.04 -0.13 0.00 -1.71 0.00 0.00 55.69 54.45 3k0s s MET 269 Cb -0.39 -0.73 0.13 0.00 2.01 0.00 0.00 34.83 35.85 3k0s s MET 269 CO 0.33 -0.10 1.16 0.16 -0.01 0.00 0.00 175.02 176.55 3k0s s ASP 270 N 0.98 3.64 0.17 3.03 1.47 -1.26 -4.77 116.67 119.92 3k0s s ASP 270 Ca -0.10 0.86 -0.14 0.00 1.18 0.00 0.00 52.55 54.35 3k0s s ASP 270 Cb -0.14 -1.37 0.07 0.00 -0.34 0.00 0.00 42.92 41.13 3k0s s ASP 270 CO -0.01 -2.46 1.83 0.00 0.68 0.00 0.00 175.17 175.22 3k0s h ALA 271 N -1.44 0.68 -0.46 2.11 0.00 -1.88 0.01 119.26 118.28 3k0s h ALA 271 Ca -0.49 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.41 3k0s h ALA 271 Cb 1.32 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3k0s h ALA 271 CO 0.61 0.13 0.24 0.00 0.00 0.00 0.00 179.25 180.23 3k0s h ALA 272 N 1.19 0.58 -0.36 0.00 0.00 -1.94 0.35 119.26 119.08 3k0s h ALA 272 Ca 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3k0s h ALA 272 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3k0s h ALA 272 CO -0.04 -0.10 0.18 1.15 0.00 0.00 0.00 179.25 180.44 3k0s h THR 273 N 0.48 1.16 -0.56 0.00 2.02 -1.72 0.43 112.91 114.73 3k0s h THR 273 Ca 0.19 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3k0s h THR 273 Cb 0.08 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3k0s h THR 273 CO -0.12 0.17 0.35 -0.09 0.37 0.00 0.00 175.52 176.19 3k0s h ARG 274 N 0.45 0.76 -0.19 6.66 2.43 -0.46 -1.22 114.38 122.81 3k0s h ARG 274 Ca 0.12 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 3k0s h ARG 274 Cb 0.10 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3k0s h ARG 274 CO -0.02 0.53 -0.32 0.00 -1.51 0.00 0.00 179.97 178.66 3k0s h ARG 275 N 0.76 0.56 0.00 0.20 3.08 -0.13 -3.11 114.38 115.74 3k0s h ARG 275 Ca 0.20 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3k0s h ARG 275 Cb -0.04 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3k0s h ARG 275 CO -0.04 0.95 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.89 3k0s h ASN 276 N 0.22 0.00 0.35 7.04 4.21 0.11 -1.40 115.58 126.11 3k0s h ASN 276 Ca 0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.52 3k0s h ASN 276 Cb 0.91 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 3k0s h ASN 276 CO 0.07 0.01 -0.24 0.18 -1.29 0.00 0.00 177.43 176.16 3k0s n LEU 277 N -4.22 0.73 -4.10 1.61 4.77 -0.48 -4.94 117.00 110.37 3k0s n LEU 277 Ca -0.03 -0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.57 3k0s n LEU 277 Cb 0.09 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 3k0s n LEU 277 CO 0.31 0.14 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.56 3k0s n GLU 278 N -0.92 -2.37 0.43 3.23 1.02 -0.53 -4.64 120.64 116.86 3k0s n GLU 278 Ca 0.11 0.28 -0.18 0.00 -0.02 0.00 0.00 57.16 57.35 3k0s n GLU 278 Cb 0.32 -4.17 -0.09 0.00 -0.02 0.00 0.00 31.44 27.49 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 -1.81 0.00 0.00 -3.67 2.04 -1.84 -1.33 117.51 110.90 3k0s h ILE 279 Ca -0.64 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3k0s h ILE 279 Cb 1.38 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3k0s h ILE 279 CO 0.66 0.00 -0.18 0.35 0.00 0.00 0.00 178.15 178.98 3k0s n THR 280 N -5.26 0.00 -4.51 -0.27 -2.24 -1.26 -0.84 114.28 99.89 3k0s n THR 280 Ca -0.14 -0.32 -0.26 0.00 -2.27 0.00 0.00 64.05 61.06 3k0s n THR 280 Cb 0.47 0.87 -0.17 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.00 1.86 0.63 -0.78 0.74 -1.26 -4.60 119.66 115.25 3k0s s GLN 281 Ca 0.00 -0.45 -0.08 0.00 0.05 0.00 0.00 55.36 54.88 3k0s s GLN 281 Cb 0.00 -1.58 0.00 0.00 1.10 0.00 0.00 33.01 32.54 3k0s s GLN 281 CO 0.00 -0.02 0.98 0.54 -0.55 0.00 0.00 175.29 176.24 3k0s s ASN 282 N 0.84 5.62 0.43 6.67 2.20 -0.92 -4.16 114.94 125.63 3k0s s ASN 282 Ca -0.11 0.94 0.19 0.00 -0.94 0.00 0.00 52.86 52.93 3k0s s ASN 282 Cb -0.15 -1.88 1.12 0.00 -2.00 0.00 0.00 41.25 38.34 3k0s s ASN 282 CO 0.01 -1.13 1.88 -0.07 -2.94 0.00 0.00 177.10 174.85 3k0s h LEU 283 N -0.35 0.35 -1.63 3.54 3.38 -1.91 0.43 115.31 119.12 3k0s h LEU 283 Ca -0.45 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 3k0s h LEU 283 Cb 1.25 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3k0s h LEU 283 CO 0.62 0.15 -0.05 0.00 0.09 0.00 0.00 178.44 179.26 3k0s h ALA 284 N 1.62 1.70 0.00 1.53 0.00 -1.97 -3.45 119.26 118.69 3k0s h ALA 284 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3k0s h ALA 284 Cb 1.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3k0s h ALA 284 CO -0.14 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.74 3k0s n GLY 285 N -1.16 1.08 0.00 0.00 0.00 0.14 -5.11 105.19 100.14 3k0s n GLY 285 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3k0s n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k0s n GLY 286 N -0.29 1.13 0.00 -0.02 0.00 -1.26 -4.80 105.19 99.95 3k0s n GLY 286 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3k0s n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k0s n ALA 287 N -3.00 1.12 -1.55 4.61 0.00 -1.26 -2.15 120.51 118.27 3k0s n ALA 287 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 3k0s n ALA 287 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3k0s n ALA 287 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3k0s s GLU 288 N -0.43 2.89 -1.44 0.00 8.01 -1.26 -3.89 118.70 122.58 3k0s s GLU 288 Ca 0.00 1.41 -0.05 0.00 0.01 0.00 0.00 54.97 56.34 3k0s s GLU 288 Cb 0.00 -1.96 0.04 0.00 -4.31 0.00 0.00 34.13 27.89 3k0s s GLU 288 CO 0.00 -1.18 0.63 0.09 0.01 0.00 0.00 175.26 174.81 3k0s n ASN 289 N -2.26 -1.63 -4.67 -0.19 3.02 -1.26 -4.59 115.26 103.68 3k0s n ASN 289 Ca 0.10 -0.92 -0.30 0.00 -0.03 0.00 0.00 54.58 53.43 3k0s n ASN 289 Cb 0.52 -3.40 -0.10 0.00 -0.61 0.00 0.00 39.78 36.19 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 -3.69 1.69 0.10 3.41 -4.23 -1.25 -4.81 115.64 106.85 3k0s s THR 290 Ca 0.21 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.52 3k0s s THR 290 Cb -0.11 -2.69 -0.07 0.00 1.34 0.00 0.00 72.50 70.97 3k0s s THR 290 CO 0.87 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 176.85 3k0s h LEU 291 N 1.62 0.30 -1.57 4.79 5.85 -0.85 -2.65 115.31 122.81 3k0s h LEU 291 Ca -0.44 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.18 3k0s h LEU 291 Cb 1.27 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 3k0s h LEU 291 CO 0.79 0.37 0.36 0.00 -0.34 0.00 0.00 178.44 179.61 3k0s h ALA 292 N 0.95 1.81 0.00 1.25 0.00 -1.25 -0.38 119.26 121.64 3k0s h ALA 292 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3k0s h ALA 292 Cb 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3k0s h ALA 292 CO -0.01 0.11 -0.02 0.66 0.00 0.00 0.00 179.25 180.00 3k0s h SER 293 N 0.55 0.00 0.00 0.00 4.64 -1.71 0.21 113.55 117.23 3k0s h SER 293 Ca 0.23 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.22 3k0s h SER 293 Cb 0.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.24 3k0s h SER 293 CO -0.06 0.02 -2.23 0.52 -0.87 0.00 0.00 176.83 174.20 3k0s n VAL 294 N -3.15 1.24 0.22 0.95 0.31 -0.72 -4.57 118.33 112.61 3k0s n VAL 294 Ca -0.01 -0.48 0.12 0.00 -0.01 0.00 0.00 64.34 63.95 3k0s n VAL 294 Cb 0.20 -1.24 0.18 0.00 -0.91 0.00 0.00 33.84 32.07 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 0.00 0.00 -7.78 7.52 3.38 -0.94 -3.43 115.31 114.06 3k0s h LEU 295 Ca -0.48 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 56.71 3k0s h LEU 295 Cb 1.76 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 42.26 3k0s h LEU 295 CO -0.07 0.01 0.30 -0.62 0.09 0.00 0.00 178.44 178.15 3k0s s ASP 296 N -6.20 6.89 -0.35 -0.43 2.15 0.71 -4.74 116.67 114.70 3k0s s ASP 296 Ca 0.07 -2.85 0.06 0.00 0.43 0.00 0.00 52.55 50.26 3k0s s ASP 296 Cb 0.05 -2.24 0.45 0.00 -0.30 0.00 0.00 42.92 40.88 3k0s s ASP 296 CO 0.67 -0.56 1.18 0.00 -0.17 0.00 0.00 175.17 176.28 3k0s s THR 298 N -4.92 2.90 -0.61 0.00 -4.23 -1.26 -4.86 115.64 102.65 3k0s s THR 298 Ca 0.50 0.29 0.14 0.00 -1.18 0.00 0.00 61.69 61.44 3k0s s THR 298 Cb 0.41 -2.69 -0.15 0.00 1.34 0.00 0.00 72.50 71.40 3k0s s THR 298 CO -0.04 -0.38 0.56 1.33 -0.54 0.00 0.00 174.62 175.56 3k0s n VAL 299 N -3.79 0.00 -4.41 2.29 0.24 -1.26 -4.91 118.33 106.49 3k0s n VAL 299 Ca 0.09 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.34 61.93 3k0s n VAL 299 Cb 0.54 0.95 -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 -2.33 2.45 0.32 3.34 -4.23 -1.26 -4.56 115.64 109.37 3k0s s THR 300 Ca 0.05 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 3k0s s THR 300 Cb 0.10 -2.19 0.10 0.00 1.34 0.00 0.00 72.50 71.86 3k0s s THR 300 CO 0.56 -0.13 1.80 -0.65 -0.54 0.00 0.00 174.62 175.66 3k0s h PRO 301 N 3.11 0.36 -0.24 3.99 0.11 -1.87 -2.21 132.00 135.25 3k0s h PRO 301 Ca -0.46 -0.12 -0.09 0.00 0.11 0.00 0.00 66.00 65.45 3k0s h PRO 301 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3k0s h PRO 301 CO 0.49 0.56 -0.24 0.00 -0.21 0.00 0.00 178.00 178.61 3k0s h MET 302 N 0.33 0.44 -0.07 1.05 -0.00 -1.84 -1.95 114.93 112.89 3k0s h MET 302 Ca 0.06 -0.16 -0.00 0.00 -0.00 0.00 0.00 59.70 59.59 3k0s h MET 302 Cb 0.56 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 32.12 3k0s h MET 302 CO 0.04 0.65 0.03 0.78 -0.00 0.00 0.00 176.91 178.41 3k0s h GLY 303 N 1.00 0.11 0.62 -3.00 0.00 -1.69 -1.56 103.07 98.56 3k0s h GLY 303 Ca 0.06 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.37 3k0s h GLY 303 CO 0.05 0.06 0.05 0.23 0.00 0.00 0.00 176.54 176.93 3k0s h SER 304 N -0.05 -0.00 -0.65 0.19 0.87 -1.21 0.59 113.55 113.29 3k0s h SER 304 Ca 0.02 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3k0s h SER 304 Cb 0.17 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3k0s h SER 304 CO -0.00 0.03 0.32 0.03 -0.53 0.00 0.00 176.83 176.69 3k0s h ARG 305 N 0.16 0.95 -0.19 2.24 3.08 -1.30 -2.28 114.38 117.04 3k0s h ARG 305 Ca 0.15 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 3k0s h ARG 305 Cb 0.16 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3k0s h ARG 305 CO -0.20 0.74 -0.65 1.98 -1.07 0.00 0.00 179.97 180.76 3k0s h MET 306 N 0.95 0.71 -0.62 0.04 4.05 -0.77 -2.52 114.93 116.76 3k0s h MET 306 Ca 0.23 -0.51 0.03 0.00 -0.28 0.00 0.00 59.70 59.17 3k0s h MET 306 Cb 0.10 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 3k0s h MET 306 CO -0.03 1.13 0.38 1.25 0.23 0.00 0.00 176.91 179.87 3k0s h LEU 307 N 0.51 0.63 -1.38 3.39 5.85 -0.71 -1.97 115.31 121.63 3k0s h LEU 307 Ca -0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3k0s h LEU 307 Cb 1.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3k0s h LEU 307 CO 0.13 0.44 -0.11 0.11 -0.34 0.00 0.00 178.44 178.67 3k0s h LYS 308 N 0.75 0.27 -0.27 1.25 1.57 -1.31 -1.07 116.57 117.76 3k0s h LYS 308 Ca 0.25 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3k0s h LYS 308 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3k0s h LYS 308 CO -0.10 0.39 -0.09 0.00 -0.57 0.00 0.00 179.45 179.09 3k0s h ARG 309 N 0.26 0.54 -0.52 3.15 3.08 -1.00 -2.89 114.38 117.00 3k0s h ARG 309 Ca 0.05 -0.22 0.08 0.00 0.07 0.00 0.00 59.98 59.97 3k0s h ARG 309 Cb 0.37 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 3k0s h ARG 309 CO 0.02 0.76 0.15 -1.49 -1.07 0.00 0.00 179.97 178.34 3k0s h TRP 310 N 0.29 0.25 -0.33 3.04 4.06 -0.72 -1.42 115.95 121.12 3k0s h TRP 310 Ca 0.07 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.06 3k0s h TRP 310 Cb 0.57 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.68 3k0s h TRP 310 CO 0.05 0.05 0.22 -0.07 -3.56 0.00 0.00 178.44 175.13 3k0s h LEU 311 N 0.30 0.32 -0.27 -4.49 3.38 -1.11 -2.08 115.31 111.37 3k0s h LEU 311 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3k0s h LEU 311 Cb 0.32 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3k0s h LEU 311 CO -0.29 0.23 -0.53 1.41 0.09 0.00 0.00 178.44 179.35 3k0s n HIS 312 N -4.49 0.00 -3.31 1.13 8.25 -0.95 -4.46 115.22 111.39 3k0s n HIS 312 Ca 0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.23 3k0s n HIS 312 Cb 0.11 -0.13 -0.08 0.00 1.12 0.00 0.00 29.99 31.01 3k0s n HIS 312 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3k0s n MET 313 N -1.07 1.36 -1.94 -0.41 2.81 -0.58 -4.95 117.12 112.34 3k0s n MET 313 Ca 0.08 -3.78 -0.42 0.00 -1.81 0.00 0.00 57.70 51.77 3k0s n MET 313 Cb 0.35 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.19 3k0s n MET 313 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3k0s s PRO 314 N -1.58 4.22 0.12 0.03 0.02 -1.21 -4.77 135.00 131.83 3k0s s PRO 314 Ca 0.36 2.34 -0.09 0.00 0.02 0.00 0.00 61.00 63.63 3k0s s PRO 314 Cb 0.15 -3.27 -0.06 0.00 0.02 0.00 0.00 34.50 31.34 3k0s s PRO 314 CO -0.08 -0.63 0.43 0.14 -0.33 0.00 0.00 177.00 176.52 3k0s s VAL 315 N 1.50 5.07 -2.27 3.83 -7.23 -0.28 -0.94 120.40 120.08 3k0s s VAL 315 Ca 0.71 0.39 0.27 0.00 -1.81 0.00 0.00 61.98 61.54 3k0s s VAL 315 Cb -0.42 -3.64 0.41 0.00 0.56 0.00 0.00 36.38 33.28 3k0s s VAL 315 CO 0.31 0.18 1.63 0.54 -0.31 0.00 0.00 175.10 177.45 3k0s n ARG 316 N 0.58 1.42 -2.63 4.82 1.74 -0.54 -4.74 116.66 117.31 3k0s n ARG 316 Ca -0.05 -0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 55.73 3k0s n ARG 316 Cb 0.52 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.19 6.19 0.66 0.55 2.15 -1.26 -4.87 116.67 117.89 3k0s s ASP 317 Ca 0.32 -0.53 0.43 0.00 0.43 0.00 0.00 52.55 53.20 3k0s s ASP 317 Cb 0.20 -2.52 2.33 0.00 -0.30 0.00 0.00 42.92 42.63 3k0s s ASP 317 CO 0.40 -1.71 2.34 0.71 -0.17 0.00 0.00 175.17 176.74 3k0s h THR 318 N 6.03 0.02 -0.43 1.71 1.35 -1.99 -2.57 112.91 117.03 3k0s h THR 318 Ca -0.28 -0.05 -0.02 0.00 -0.55 0.00 0.00 66.41 65.52 3k0s h THR 318 Cb 1.06 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 3k0s h THR 318 CO 1.25 0.00 0.19 0.03 -0.25 0.00 0.00 175.52 176.74 3k0s h ARG 319 N 0.00 0.62 -0.58 4.72 3.08 -1.99 0.39 114.38 120.62 3k0s h ARG 319 Ca -0.00 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 3k0s h ARG 319 Cb 0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3k0s h ARG 319 CO 0.00 0.55 0.01 0.28 -1.07 0.00 0.00 179.97 179.74 3k0s h VAL 320 N 0.55 1.26 0.21 2.04 2.07 -1.89 -2.48 116.25 118.02 3k0s h VAL 320 Ca 0.15 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3k0s h VAL 320 Cb 0.14 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3k0s h VAL 320 CO -0.02 0.40 -0.10 -0.07 0.02 0.00 0.00 177.57 177.81 3k0s h LEU 321 N 0.90 -0.24 -0.95 2.57 3.38 -1.28 -0.45 115.31 119.25 3k0s h LEU 321 Ca 0.16 -0.11 0.19 0.00 0.09 0.00 0.00 57.88 58.21 3k0s h LEU 321 Cb 0.53 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 3k0s h LEU 321 CO 0.03 -0.03 0.53 -0.07 0.09 0.00 0.00 178.44 178.99 3k0s h LEU 322 N -0.44 0.63 -0.54 1.67 3.38 -0.24 0.30 115.31 120.07 3k0s h LEU 322 Ca -0.03 0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3k0s h LEU 322 Cb 0.34 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3k0s h LEU 322 CO 0.05 0.19 -0.15 -0.33 0.09 0.00 0.00 178.44 178.28 3k0s h GLU 323 N 0.64 1.02 -0.41 1.13 5.08 -1.05 -0.17 114.58 120.81 3k0s h GLU 323 Ca 0.56 -0.40 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 3k0s h GLU 323 Cb 0.92 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3k0s h GLU 323 CO -0.42 1.09 -0.28 0.00 -1.00 0.00 0.00 179.01 178.40 3k0s h ARG 324 N 0.90 0.92 -0.20 2.33 3.08 0.46 -2.57 114.38 119.29 3k0s h ARG 324 Ca 0.13 -0.44 0.01 0.00 0.07 0.00 0.00 59.98 59.76 3k0s h ARG 324 Cb 0.73 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3k0s h ARG 324 CO 0.06 1.10 0.09 1.96 -1.07 0.00 0.00 179.97 182.10 3k0s h GLN 325 N 0.75 0.19 -0.82 0.04 4.20 -0.30 -1.15 115.11 118.03 3k0s h GLN 325 Ca 0.08 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3k0s h GLN 325 Cb 0.86 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.55 3k0s h GLN 325 CO 0.08 0.13 0.54 1.96 -0.67 0.00 0.00 178.83 180.86 3k0s h GLN 326 N 0.20 0.99 -0.19 1.46 4.20 -1.00 -0.76 115.11 120.02 3k0s h GLN 326 Ca 0.08 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3k0s h GLN 326 Cb 0.03 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3k0s h GLN 326 CO -0.07 0.66 -0.05 1.15 -0.67 0.00 0.00 178.83 179.85 3k0s h THR 327 N 1.02 1.29 -0.89 -0.54 2.02 -1.14 0.21 112.91 114.87 3k0s h THR 327 Ca 0.32 -1.03 0.07 0.00 0.77 0.00 0.00 66.41 66.54 3k0s h THR 327 Cb 0.02 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 3k0s h THR 327 CO -0.09 0.31 0.58 0.40 0.37 0.00 0.00 175.52 177.09 3k0s h ILE 328 N 0.08 1.06 -0.06 3.11 2.04 -0.79 0.70 117.51 123.65 3k0s h ILE 328 Ca 0.05 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3k0s h ILE 328 Cb 0.50 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3k0s h ILE 328 CO 0.02 0.18 -0.09 1.23 0.00 0.00 0.00 178.15 179.50 3k0s h GLY 329 N 1.01 0.19 2.00 5.37 0.00 -0.77 -3.03 103.07 107.84 3k0s h GLY 329 Ca 0.39 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 3k0s h GLY 329 CO -0.14 0.18 -0.31 0.00 0.00 0.00 0.00 176.54 176.27 3k0s h ALA 330 N 0.52 1.36 -0.02 3.60 0.00 -0.28 -3.09 119.26 121.34 3k0s h ALA 330 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3k0s h ALA 330 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3k0s h ALA 330 CO 0.02 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.94 3k0s n LEU 331 N -3.98 2.23 -0.14 0.00 4.77 0.21 -4.56 117.00 115.53 3k0s n LEU 331 Ca -0.02 -0.75 -0.09 0.00 -0.03 0.00 0.00 56.01 55.12 3k0s n LEU 331 Cb 0.37 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3k0s n LEU 331 CO 0.37 0.37 0.59 1.56 -1.33 0.00 0.00 177.39 178.95 3k0s h GLN 332 N 3.49 -0.29 0.00 3.23 1.08 -1.44 -0.99 115.11 120.19 3k0s h GLN 332 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3k0s h GLN 332 Cb 0.74 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 3k0s h GLN 332 CO 0.00 -0.19 0.00 -0.25 -0.95 0.00 0.00 178.83 177.44 3k0s n ASP 333 N -5.42 0.42 -0.01 1.46 8.00 -1.26 -3.51 116.55 116.24 3k0s n ASP 333 Ca -0.00 0.62 0.11 0.00 0.71 0.00 0.00 54.79 56.22 3k0s n ASP 333 Cb 0.35 -0.70 -0.16 0.00 -0.02 0.00 0.00 41.12 40.59 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 -1.98 0.00 -0.23 1.24 3.01 -0.40 -4.48 117.46 114.62 3k0s n PHE 334 Ca 0.02 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.64 3k0s n PHE 334 Cb 0.18 -0.39 0.48 0.00 -0.01 0.00 0.00 39.48 39.73 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 0.75 -0.17 4.37 1.35 -1.54 -0.39 112.91 117.28 3k0s h THR 335 Ca 0.00 -0.16 0.03 0.00 -0.55 0.00 0.00 66.41 65.73 3k0s h THR 335 Cb 0.89 0.23 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 3k0s h THR 335 CO 0.00 0.09 -0.04 0.00 -0.25 0.00 0.00 175.52 175.32 3k0s h ALA 336 N 1.62 0.11 0.00 6.62 0.00 -1.84 -1.54 119.26 124.24 3k0s h ALA 336 Ca 0.44 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 3k0s h ALA 336 Cb 0.96 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3k0s h ALA 336 CO -0.17 -0.48 -0.66 0.78 0.00 0.00 0.00 179.25 178.72 3k0s h GLY 337 N 0.00 0.00 1.00 0.00 0.00 -1.43 -3.37 103.07 99.27 3k0s h GLY 337 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.17 3k0s h GLY 337 CO -0.17 0.00 -1.01 1.41 0.00 0.00 0.00 176.54 176.77 3k0s h LEU 338 N 0.00 0.71 -0.71 3.11 3.38 -1.01 -3.37 115.31 117.41 3k0s h LEU 338 Ca -0.01 -0.84 -0.04 0.00 0.09 0.00 0.00 57.88 57.07 3k0s h LEU 338 Cb 1.49 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 3k0s h LEU 338 CO 0.08 1.48 0.28 1.56 0.09 0.00 0.00 178.44 181.93 3k0s h GLN 339 N 0.03 1.07 -0.25 1.13 4.20 -1.44 -0.42 115.11 119.43 3k0s h GLN 339 Ca -0.16 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 3k0s h GLN 339 Cb 1.73 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 3k0s h GLN 339 CO 0.19 0.89 0.13 -1.35 -0.67 0.00 0.00 178.83 178.02 3k0s h PRO 340 N 1.02 0.34 0.03 1.46 0.11 -1.76 -1.22 132.00 131.98 3k0s h PRO 340 Ca 0.24 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.19 3k0s h PRO 340 Cb 0.22 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.27 3k0s h PRO 340 CO -0.02 0.26 -0.53 0.28 -0.21 0.00 0.00 178.00 177.78 3k0s h VAL 341 N 0.34 1.49 -0.64 3.15 2.07 -1.52 -3.24 116.25 117.91 3k0s h VAL 341 Ca 0.09 -2.15 0.05 0.00 0.82 0.00 0.00 66.70 65.51 3k0s h VAL 341 Cb 0.02 2.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 3k0s h VAL 341 CO -0.01 0.61 0.42 -0.07 0.02 0.00 0.00 177.57 178.54 3k0s h LEU 342 N -0.31 0.60 -1.17 2.57 3.38 -0.93 -1.74 115.31 117.72 3k0s h LEU 342 Ca -0.07 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3k0s h LEU 342 Cb 1.29 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 3k0s h LEU 342 CO 0.10 0.40 0.57 -0.09 0.09 0.00 0.00 178.44 179.51 3k0s h ARG 343 N 0.69 1.04 0.00 1.13 2.43 -1.25 -1.39 114.38 117.04 3k0s h ARG 343 Ca 0.27 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3k0s h ARG 343 Cb 0.18 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3k0s h ARG 343 CO -0.08 0.69 0.00 1.96 -1.51 0.00 0.00 179.97 181.03 3k0s h GLN 344 N 1.07 0.00 0.00 0.20 1.08 -1.35 -2.65 115.11 113.46 3k0s h GLN 344 Ca 0.34 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.42 3k0s h GLN 344 Cb 0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 3k0s h GLN 344 CO -0.10 0.00 -0.57 0.28 -0.95 0.00 0.00 178.83 177.49 3k0s h VAL 345 N 0.00 1.20 -1.02 -0.54 2.07 -1.26 -3.37 116.25 113.33 3k0s h VAL 345 Ca 0.00 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.41 3k0s h VAL 345 Cb 0.33 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3k0s h VAL 345 CO 0.00 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.76 3k0s n GLY 346 N 0.53 0.79 2.73 2.17 0.00 -1.00 -3.85 105.19 106.57 3k0s n GLY 346 Ca -0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.92 5.74 0.27 1.61 -0.08 -1.26 -4.65 116.55 115.26 3k0s n ASP 347 Ca 0.00 -3.05 0.14 0.00 -1.51 0.00 0.00 54.79 50.37 3k0s n ASP 347 Cb 0.00 -1.48 0.85 0.00 2.34 0.00 0.00 41.12 42.83 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 7.62 0.00 -0.00 -2.67 5.85 -1.95 -2.47 115.31 121.69 3k0s h LEU 348 Ca 0.51 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.23 3k0s h LEU 348 Cb 0.54 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 3k0s h LEU 348 CO 1.64 0.00 0.00 -0.08 -0.34 0.00 0.00 178.44 179.67 3k0s h GLU 349 N 0.00 0.00 0.00 1.25 4.81 -1.88 -1.53 114.58 117.24 3k0s h GLU 349 Ca 0.02 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3k0s h GLU 349 Cb 0.09 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3k0s h GLU 349 CO -0.00 0.20 -0.10 0.00 -0.73 0.00 0.00 179.01 178.38 3k0s h ARG 350 N -0.19 0.00 -0.40 1.92 3.08 -1.80 -3.07 114.38 113.91 3k0s h ARG 350 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3k0s h ARG 350 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3k0s h ARG 350 CO -0.00 0.10 -0.03 0.82 -1.07 0.00 0.00 179.97 179.79 3k0s h ILE 351 N 0.00 1.27 0.00 2.04 2.04 -1.32 -3.01 117.51 118.52 3k0s h ILE 351 Ca -0.00 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 3k0s h ILE 351 Cb 0.98 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3k0s h ILE 351 CO 0.01 0.36 -0.09 -0.07 0.00 0.00 0.00 178.15 178.37 3k0s h LEU 352 N 0.54 0.00 -0.30 1.44 3.38 -1.19 -1.62 115.31 117.57 3k0s h LEU 352 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3k0s h LEU 352 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3k0s h LEU 352 CO 0.03 0.09 -0.04 0.00 0.09 0.00 0.00 178.44 178.60 3k0s h ALA 353 N 1.91 0.41 0.00 1.53 0.00 -1.49 -1.06 119.26 120.55 3k0s h ALA 353 Ca -0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3k0s h ALA 353 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3k0s h ALA 353 CO 0.01 0.20 -0.26 0.00 0.00 0.00 0.00 179.25 179.20 3k0s h ARG 354 N 0.33 0.00 -0.12 0.00 3.08 -1.29 -0.01 114.38 116.37 3k0s h ARG 354 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3k0s h ARG 354 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3k0s h ARG 354 CO 0.02 0.26 -0.01 1.25 -1.07 0.00 0.00 179.97 180.43 3k0s h LEU 355 N 0.00 0.21 -1.32 3.04 5.85 -1.13 0.13 115.31 122.10 3k0s h LEU 355 Ca -0.00 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 3k0s h LEU 355 Cb 0.55 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3k0s h LEU 355 CO 0.03 0.48 -0.34 0.00 -0.34 0.00 0.00 178.44 178.28 3k0s h ALA 356 N 0.73 1.44 -0.06 1.25 0.00 -0.42 -1.57 119.26 120.63 3k0s h ALA 356 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3k0s h ALA 356 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3k0s h ALA 356 CO 0.01 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.96 3k0s n LEU 357 N -4.13 2.09 -2.79 0.00 4.77 -0.09 -4.59 117.00 112.26 3k0s n LEU 357 Ca -0.02 -0.74 -0.22 0.00 -0.03 0.00 0.00 56.01 55.00 3k0s n LEU 357 Cb 0.38 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3k0s n LEU 357 CO 0.38 0.37 -0.10 0.54 -1.33 0.00 0.00 177.39 177.25 3k0s n ARG 358 N 0.63 -3.67 -0.02 3.23 1.74 -0.59 -4.88 116.66 113.11 3k0s n ARG 358 Ca 0.17 0.95 0.05 0.00 -0.77 0.00 0.00 57.85 58.25 3k0s n ARG 358 Cb 0.44 -5.74 0.05 0.00 -1.02 0.00 0.00 32.46 26.19 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 -4.32 0.10 -1.72 0.55 -2.24 0.32 -5.02 114.28 101.96 3k0s n THR 359 Ca -0.16 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.63 3k0s n THR 359 Cb 0.65 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.98 3k0s n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k0s n ALA 360 N 0.52 2.06 -2.12 6.98 0.00 -0.33 -4.97 120.51 122.65 3k0s n ALA 360 Ca 0.06 0.39 -0.18 0.00 0.00 0.00 0.00 53.44 53.71 3k0s n ALA 360 Cb 0.26 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.30 3k0s n ALA 360 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3k0s s ARG 361 N -0.34 2.76 0.27 0.00 0.52 -1.26 -4.94 118.95 115.96 3k0s s ARG 361 Ca 0.66 -1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 54.54 3k0s s ARG 361 Cb -0.55 -2.65 0.43 0.00 0.52 0.00 0.00 34.95 32.70 3k0s s ARG 361 CO 0.48 -0.21 1.87 -1.35 0.02 0.00 0.00 175.30 176.10 3k0s h PRO 362 N 0.79 1.09 0.00 3.54 0.11 -1.78 0.22 132.00 135.96 3k0s h PRO 362 Ca -0.41 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3k0s h PRO 362 Cb 1.27 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3k0s h PRO 362 CO 0.49 0.72 0.00 0.00 -0.21 0.00 0.00 178.00 179.01 3k0s h ARG 363 N 1.12 0.00 -0.25 1.05 3.08 -1.79 -0.69 114.38 116.91 3k0s h ARG 363 Ca 0.44 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.39 3k0s h ARG 363 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3k0s h ARG 363 CO -0.19 0.00 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.02 3k0s h ASP 364 N 0.00 0.65 0.18 7.04 3.32 -0.97 -1.49 116.42 125.16 3k0s h ASP 364 Ca 0.00 -0.48 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 3k0s h ASP 364 Cb 0.42 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3k0s h ASP 364 CO 0.00 1.00 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.95 3k0s h LEU 365 N 0.33 0.40 -0.80 1.55 3.38 -0.70 -2.02 115.31 117.45 3k0s h LEU 365 Ca 0.04 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 3k0s h LEU 365 Cb 0.81 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3k0s h LEU 365 CO 0.06 0.83 -0.57 0.00 0.09 0.00 0.00 178.44 178.85 3k0s h ALA 366 N 1.18 1.00 -0.02 1.53 0.00 -1.14 -0.00 119.26 121.81 3k0s h ALA 366 Ca 0.01 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.22 3k0s h ALA 366 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3k0s h ALA 366 CO 0.08 0.72 -0.78 0.00 0.00 0.00 0.00 179.25 179.27 3k0s h ARG 367 N 0.06 0.20 -0.10 0.00 3.08 -1.14 0.79 114.38 117.27 3k0s h ARG 367 Ca -0.00 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3k0s h ARG 367 Cb 1.03 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 3k0s h ARG 367 CO 0.08 0.89 0.02 1.98 -1.07 0.00 0.00 179.97 181.87 3k0s h MET 368 N 0.13 0.17 -0.54 0.04 4.05 -1.18 0.45 114.93 118.04 3k0s h MET 368 Ca -0.03 -0.04 0.11 0.00 -0.28 0.00 0.00 59.70 59.45 3k0s h MET 368 Cb 1.37 -0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 32.06 3k0s h MET 368 CO 0.12 0.36 0.02 -0.09 0.23 0.00 0.00 176.91 177.55 3k0s h ARG 369 N -0.05 0.14 -0.65 0.39 2.43 -0.90 0.26 114.38 116.01 3k0s h ARG 369 Ca 0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3k0s h ARG 369 Cb 0.27 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3k0s h ARG 369 CO 0.00 0.09 0.33 1.25 -1.51 0.00 0.00 179.97 180.13 3k0s h HIS 370 N 0.14 0.91 -0.59 2.20 2.76 -0.55 -0.93 115.15 119.08 3k0s h HIS 370 Ca 0.28 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.43 3k0s h HIS 370 Cb 0.43 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 3k0s h HIS 370 CO -0.31 0.67 0.38 0.00 -1.30 0.00 0.00 177.93 177.36 3k0s h ALA 371 N 1.15 0.76 -0.53 5.26 0.00 -0.03 -2.20 119.26 123.67 3k0s h ALA 371 Ca 0.22 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3k0s h ALA 371 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3k0s h ALA 371 CO -0.03 0.15 0.35 0.74 0.00 0.00 0.00 179.25 180.47 3k0s h PHE 372 N 0.77 0.57 0.00 0.00 0.04 0.60 -1.17 116.94 117.75 3k0s h PHE 372 Ca 0.22 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3k0s h PHE 372 Cb -0.05 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.91 3k0s h PHE 372 CO -0.04 0.33 0.00 1.04 -0.60 0.00 0.00 178.31 179.04 3k0s n GLN 373 N -4.47 0.27 0.06 1.51 6.02 -0.46 -2.22 117.38 118.09 3k0s n GLN 373 Ca 0.06 0.08 0.08 0.00 -0.01 0.00 0.00 57.00 57.21 3k0s n GLN 373 Cb 0.16 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.32 0.62 -0.30 -1.09 1.13 -0.45 -4.59 117.38 111.38 3k0s n GLN 374 Ca 0.10 0.08 -0.05 0.00 -1.94 0.00 0.00 57.00 55.19 3k0s n GLN 374 Cb 0.20 -1.76 0.07 0.00 0.11 0.00 0.00 30.24 28.86 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 1.09 -0.80 1.08 3.38 -1.48 -1.57 115.31 117.02 3k0s h LEU 375 Ca -0.05 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3k0s h LEU 375 Cb 1.17 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3k0s h LEU 375 CO 0.01 0.94 0.33 -0.65 0.09 0.00 0.00 178.44 179.16 3k0s h PRO 376 N 1.18 1.19 -0.43 1.13 0.11 -1.81 0.32 132.00 133.68 3k0s h PRO 376 Ca 0.28 -0.21 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 3k0s h PRO 376 Cb 0.15 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3k0s h PRO 376 CO -0.03 0.95 -0.06 1.49 -0.21 0.00 0.00 178.00 180.14 3k0s h GLU 377 N 1.16 0.81 -0.54 1.05 4.57 -1.73 0.12 114.58 120.02 3k0s h GLU 377 Ca 0.27 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 3k0s h GLU 377 Cb 0.20 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3k0s h GLU 377 CO -0.02 0.90 0.05 -0.07 -1.18 0.00 0.00 179.01 178.69 3k0s h LEU 378 N 0.64 0.89 -1.33 1.64 3.38 -1.11 -0.50 115.31 118.91 3k0s h LEU 378 Ca 0.11 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3k0s h LEU 378 Cb 0.58 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3k0s h LEU 378 CO 0.03 0.94 0.47 0.03 0.09 0.00 0.00 178.44 180.01 3k0s h ARG 379 N 0.80 0.85 0.04 1.13 3.08 -0.13 -1.68 114.38 118.46 3k0s h ARG 379 Ca 0.16 -0.05 -0.27 0.00 0.07 0.00 0.00 59.98 59.89 3k0s h ARG 379 Cb 0.46 -0.19 0.02 0.00 0.08 0.00 0.00 29.97 30.33 3k0s h ARG 379 CO 0.02 0.56 -1.08 0.00 -1.07 0.00 0.00 179.97 178.39 3k0s h ALA 380 N 1.58 0.15 -0.50 0.04 0.00 -0.48 -2.70 119.26 117.36 3k0s h ALA 380 Ca 0.28 -0.73 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 3k0s h ALA 380 Cb 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3k0s h ALA 380 CO -0.08 0.74 -0.08 1.96 0.00 0.00 0.00 179.25 181.78 3k0s h GLN 381 N 0.31 0.90 0.00 0.00 4.20 -0.92 -2.92 115.11 116.68 3k0s h GLN 381 Ca -0.13 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.27 3k0s h GLN 381 Cb 1.74 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.45 3k0s h GLN 381 CO 0.20 0.95 -0.00 1.28 -0.67 0.00 0.00 178.83 180.59 3k0s n LEU 382 N -4.16 0.27 -0.02 1.46 4.77 -0.65 -4.21 117.00 114.47 3k0s n LEU 382 Ca 0.02 0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 56.43 3k0s n LEU 382 Cb 0.37 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3k0s n LEU 382 CO 0.44 -0.06 0.79 -0.08 -1.33 0.00 0.00 177.39 177.15 3k0s h GLU 383 N 0.00 -0.11 0.00 3.23 4.81 -1.27 -2.64 114.58 118.60 3k0s h GLU 383 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3k0s h GLU 383 Cb 0.58 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3k0s h GLU 383 CO 0.00 -0.07 0.00 1.79 -0.73 0.00 0.00 179.01 180.00 3k0s h THR 384 N -0.11 0.00 -1.92 0.32 1.35 -1.77 -3.44 112.91 107.34 3k0s h THR 384 Ca 0.09 -0.72 -0.56 0.00 -0.55 0.00 0.00 66.41 64.68 3k0s h THR 384 Cb 0.25 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3k0s h THR 384 CO -0.22 0.00 1.52 -0.69 -0.25 0.00 0.00 175.52 175.88 3k0s s VAL 385 N -3.38 3.02 -1.21 6.82 1.01 -1.00 -4.84 120.40 120.82 3k0s s VAL 385 Ca 0.05 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 3k0s s VAL 385 Cb 0.07 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.46 3k0s s VAL 385 CO 0.60 -0.03 1.71 -0.62 0.00 0.00 0.00 175.10 176.76 3k0s s ASP 386 N 9.27 6.48 -0.30 3.32 2.15 -1.26 -4.71 116.67 131.62 3k0s s ASP 386 Ca 0.99 -2.06 -0.11 0.00 0.43 0.00 0.00 52.55 51.79 3k0s s ASP 386 Cb -0.28 -2.58 0.12 0.00 -0.30 0.00 0.00 42.92 39.88 3k0s s ASP 386 CO 0.33 -1.54 0.67 -0.55 -0.17 0.00 0.00 175.17 173.91 3k0s s SER 387 N 4.82 -1.09 0.25 -0.34 0.15 -1.26 -4.98 113.70 111.25 3k0s s SER 387 Ca 0.55 1.54 -0.04 0.00 0.70 0.00 0.00 55.95 58.69 3k0s s SER 387 Cb 0.02 2.08 0.29 0.00 -1.71 0.00 0.00 66.02 66.71 3k0s s SER 387 CO 0.04 -0.22 1.83 0.00 1.20 0.00 0.00 173.24 176.09 3k0s h ALA 388 N 7.75 1.17 -0.49 5.45 0.00 -1.99 -0.11 119.26 131.04 3k0s h ALA 388 Ca -0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3k0s h ALA 388 Cb 1.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3k0s h ALA 388 CO 0.11 0.61 0.10 -1.35 0.00 0.00 0.00 179.25 178.72 3k0s h PRO 389 N 1.03 0.80 -0.79 0.00 0.11 -1.97 -0.85 132.00 130.33 3k0s h PRO 389 Ca 0.24 -0.20 0.02 0.00 0.11 0.00 0.00 66.00 66.16 3k0s h PRO 389 Cb 0.18 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.15 3k0s h PRO 389 CO -0.02 0.79 0.52 0.28 -0.21 0.00 0.00 178.00 179.36 3k0s h VAL 390 N 0.68 1.17 -0.02 3.15 2.07 -1.81 -1.98 116.25 119.52 3k0s h VAL 390 Ca 0.15 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 3k0s h VAL 390 Cb 0.36 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3k0s h VAL 390 CO 0.01 0.19 -0.50 1.56 0.02 0.00 0.00 177.57 178.84 3k0s h GLN 391 N 1.04 0.04 -0.22 1.57 1.08 -0.78 -0.35 115.11 117.50 3k0s h GLN 391 Ca 0.30 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.46 3k0s h GLN 391 Cb -0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3k0s h GLN 391 CO -0.08 0.54 0.08 0.00 -0.95 0.00 0.00 178.83 178.41 3k0s h ALA 392 N 1.46 0.28 -0.77 3.87 0.00 -0.78 -1.42 119.26 121.91 3k0s h ALA 392 Ca -0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3k0s h ALA 392 Cb 0.91 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3k0s h ALA 392 CO 0.07 -0.10 0.47 -0.07 0.00 0.00 0.00 179.25 179.62 3k0s h LEU 393 N 0.19 0.76 -0.08 0.00 3.38 -1.06 -0.74 115.31 117.75 3k0s h LEU 393 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k0s h LEU 393 Cb 0.21 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3k0s h LEU 393 CO -0.00 0.51 0.05 -0.09 0.09 0.00 0.00 178.44 179.00 3k0s h ARG 394 N 0.90 0.10 -0.10 1.13 2.43 -0.78 -0.43 114.38 117.64 3k0s h ARG 394 Ca 0.32 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3k0s h ARG 394 Cb 0.08 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3k0s h ARG 394 CO -0.14 0.07 0.05 1.49 -1.51 0.00 0.00 179.97 179.93 3k0s h GLU 395 N 0.11 0.15 0.00 0.20 4.57 -1.10 -2.90 114.58 115.61 3k0s h GLU 395 Ca 0.03 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3k0s h GLU 395 Cb -0.01 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3k0s h GLU 395 CO -0.01 0.24 -0.00 -0.22 -1.18 0.00 0.00 179.01 177.83 3k0s h LYS 396 N 0.03 0.00 -0.00 1.92 3.64 -0.98 -1.21 116.57 119.96 3k0s h LYS 396 Ca 0.03 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3k0s h LYS 396 Cb 0.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3k0s h LYS 396 CO -0.00 0.00 -0.42 1.98 -2.27 0.00 0.00 179.45 178.74 3k0s h MET 397 N 0.00 0.01 0.00 1.90 4.05 -0.86 -3.26 114.93 116.77 3k0s h MET 397 Ca -0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3k0s h MET 397 Cb 0.33 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 3k0s h MET 397 CO 0.00 0.43 0.00 0.41 0.23 0.00 0.00 176.91 177.98 3k0s n GLY 398 N -0.32 -0.23 0.92 1.39 0.00 -0.46 -4.67 105.19 101.82 3k0s n GLY 398 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3k0s n GLY 398 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k0s n GLU 399 N -0.44 0.00 -3.80 1.61 2.13 -1.26 -4.90 120.64 113.98 3k0s n GLU 399 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 3k0s n GLU 399 Cb 0.00 -0.18 0.02 0.00 0.27 0.00 0.00 31.44 31.55 3k0s n GLU 399 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3k0s n PHE 400 N -1.96 -2.00 -0.24 4.31 3.72 -1.26 -4.82 117.46 115.21 3k0s n PHE 400 Ca 0.00 0.85 0.03 0.00 -0.05 0.00 0.00 57.45 58.28 3k0s n PHE 400 Cb 0.00 -4.18 0.27 0.00 -0.94 0.00 0.00 39.48 34.63 3k0s n PHE 400 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k0s h ALA 401 N 0.90 1.54 -0.69 4.37 0.00 -1.97 0.19 119.26 123.59 3k0s h ALA 401 Ca -0.60 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 3k0s h ALA 401 Cb 1.37 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3k0s h ALA 401 CO 0.61 0.37 0.15 1.05 0.00 0.00 0.00 179.25 181.43 3k0s h GLU 402 N 0.96 1.12 -0.11 0.00 9.09 -1.99 -0.11 114.58 123.53 3k0s h GLU 402 Ca 0.32 -0.28 -0.20 0.00 0.05 0.00 0.00 59.36 59.26 3k0s h GLU 402 Cb 0.08 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 27.04 3k0s h GLU 402 CO -0.10 0.99 -0.75 -0.07 0.05 0.00 0.00 179.01 179.14 3k0s h LEU 403 N 1.06 0.68 -0.08 3.06 3.38 -1.74 -1.42 115.31 120.26 3k0s h LEU 403 Ca 0.22 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3k0s h LEU 403 Cb 0.39 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3k0s h LEU 403 CO 0.01 1.21 -0.03 -0.09 0.09 0.00 0.00 178.44 179.63 3k0s h ARG 404 N 0.39 -0.02 -0.77 1.13 2.43 -0.48 -2.21 114.38 114.86 3k0s h ARG 404 Ca -0.04 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3k0s h ARG 404 Cb 1.34 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.86 3k0s h ARG 404 CO 0.14 -0.01 0.30 0.22 -1.51 0.00 0.00 179.97 179.11 3k0s h ASP 405 N -0.02 1.07 0.11 -3.80 3.58 -0.95 -1.65 116.42 114.76 3k0s h ASP 405 Ca 0.04 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.35 3k0s h ASP 405 Cb 0.08 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 3k0s h ASP 405 CO -0.09 0.95 -0.26 0.25 -2.88 0.00 0.00 179.24 177.20 3k0s h LEU 406 N 1.13 -0.75 -1.65 2.28 5.85 -1.08 -2.27 115.31 118.82 3k0s h LEU 406 Ca 0.26 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 3k0s h LEU 406 Cb 0.22 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3k0s h LEU 406 CO -0.02 -0.35 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.47 3k0s h LEU 407 N -0.47 0.00 -0.81 2.25 3.38 -1.13 0.01 115.31 118.54 3k0s h LEU 407 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3k0s h LEU 407 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3k0s h LEU 407 CO -0.16 0.19 -0.55 -0.33 0.09 0.00 0.00 178.44 177.69 3k0s h GLU 408 N 0.00 0.14 0.00 1.13 5.08 -1.06 -3.01 114.58 116.86 3k0s h GLU 408 Ca -0.00 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 3k0s h GLU 408 Cb 0.46 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3k0s h GLU 408 CO 0.02 0.65 -1.38 0.00 -1.00 0.00 0.00 179.01 177.30 3k0s h ARG 409 N 0.11 0.00 0.17 2.33 3.08 -0.68 -3.40 114.38 115.99 3k0s h ARG 409 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 3k0s h ARG 409 Cb 1.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.06 3k0s h ARG 409 CO 0.08 0.30 -1.63 0.00 -1.07 0.00 0.00 179.97 177.65 3k0s h ALA 410 N 1.42 0.13 -4.13 0.04 0.00 -1.10 -3.39 119.26 112.22 3k0s h ALA 410 Ca -0.16 -1.10 -0.69 0.00 0.00 0.00 0.00 54.91 52.96 3k0s h ALA 410 Cb 1.58 0.44 -0.24 0.00 0.00 0.00 0.00 17.79 19.57 3k0s h ALA 410 CO 0.05 0.94 -0.79 0.42 0.00 0.00 0.00 179.25 179.86 3k0s s ILE 411 N -2.55 2.88 1.24 0.00 1.01 -1.14 0.06 121.20 122.70 3k0s s ILE 411 Ca -0.16 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 3k0s s ILE 411 Cb 0.05 -2.11 0.30 0.00 0.01 0.00 0.00 42.46 40.71 3k0s s ILE 411 CO 0.84 0.59 1.02 0.27 0.00 0.00 0.00 174.94 177.66 3k0s s ILE 412 N -0.71 1.66 0.07 2.92 -4.36 -0.38 -4.58 121.20 115.82 3k0s s ILE 412 Ca 0.11 0.00 -0.31 0.00 -0.26 0.00 0.00 60.65 60.19 3k0s s ILE 412 Cb -0.11 -2.21 -0.18 0.00 1.25 0.00 0.00 42.46 41.21 3k0s s ILE 412 CO 0.00 0.00 1.61 0.44 0.24 0.00 0.00 174.94 177.24 3k0s h ASP 413 N -2.79 -0.63 -3.87 4.36 5.19 -1.95 -3.36 116.42 113.36 3k0s h ASP 413 Ca -0.52 0.01 -0.62 0.00 -0.62 0.00 0.00 57.03 55.28 3k0s h ASP 413 Cb 1.33 0.16 -0.40 0.00 0.18 0.00 0.00 39.33 40.60 3k0s h ASP 413 CO 0.41 -0.44 -0.69 0.42 -3.12 0.00 0.00 179.24 175.83 3k0s s THR 414 N -5.98 1.96 0.66 0.35 -4.23 -1.26 -5.03 115.64 102.12 3k0s s THR 414 Ca -0.17 -2.95 -0.14 0.00 -1.18 0.00 0.00 61.69 57.26 3k0s s THR 414 Cb 0.04 -2.36 -0.00 0.00 1.34 0.00 0.00 72.50 71.51 3k0s s THR 414 CO 0.62 -0.86 1.08 -2.16 -0.54 0.00 0.00 174.62 172.76 3k0s s PRO 415 N 0.01 2.93 1.21 3.99 0.04 -1.26 -5.03 135.00 136.89 3k0s s PRO 415 Ca 0.18 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.24 3k0s s PRO 415 Cb -0.24 -1.98 0.29 0.00 0.04 0.00 0.00 34.50 32.60 3k0s s PRO 415 CO -0.00 -1.12 1.05 -1.25 0.04 0.00 0.00 177.00 175.71 3k0s s PRO 416 N -4.42 -1.26 0.13 0.56 0.04 -1.26 -4.65 135.00 124.14 3k0s s PRO 416 Ca 0.63 0.27 -0.13 0.00 0.04 0.00 0.00 61.00 61.81 3k0s s PRO 416 Cb -0.17 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 3k0s s PRO 416 CO 0.45 -3.80 1.52 0.28 0.04 0.00 0.00 177.00 175.49 3k0s h VAL 417 N -2.66 1.28 -3.39 -0.36 2.07 -1.98 -3.36 116.25 107.85 3k0s h VAL 417 Ca -0.50 -1.30 -0.65 0.00 0.82 0.00 0.00 66.70 65.07 3k0s h VAL 417 Cb 1.32 1.24 -0.13 0.00 -1.52 0.00 0.00 31.29 32.21 3k0s h VAL 417 CO 0.41 0.44 -0.68 -0.76 0.02 0.00 0.00 177.57 177.00 3k0s s LEU 418 N -9.15 3.38 0.19 2.57 1.43 -1.26 -3.91 118.68 111.93 3k0s s LEU 418 Ca -0.12 -0.22 0.26 0.00 -1.03 0.00 0.00 54.13 53.02 3k0s s LEU 418 Cb 0.11 -2.12 0.87 0.00 0.03 0.00 0.00 46.19 45.07 3k0s s LEU 418 CO 0.84 0.18 1.79 0.55 0.23 0.00 0.00 176.35 179.93 3k0s n VAL 419 N 0.60 0.54 -0.30 -1.59 3.14 -1.26 -4.33 118.33 115.12 3k0s n VAL 419 Ca -0.11 -0.23 0.14 0.00 -2.96 0.00 0.00 64.34 61.18 3k0s n VAL 419 Cb 0.52 -0.60 0.31 0.00 -1.06 0.00 0.00 33.84 33.00 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 0.00 0.26 -0.47 1.45 2.43 -1.98 -1.20 114.38 114.85 3k0s h ARG 420 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3k0s h ARG 420 Cb 0.69 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3k0s h ARG 420 CO 0.00 0.17 0.00 -0.25 -1.51 0.00 0.00 179.97 178.38 3k0s n ASP 421 N -5.17 3.59 -0.65 -3.80 8.00 -1.26 -5.07 116.55 112.19 3k0s n ASP 421 Ca 0.22 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.73 3k0s n ASP 421 Cb 0.70 -0.31 -0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 1.55 -1.35 2.18 0.44 0.00 -0.46 -4.94 105.19 102.61 3k0s n GLY 422 Ca 0.21 -1.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.05 0.21 0.44 -0.02 0.00 -1.26 -4.88 105.19 99.62 3k0s n GLY 423 Ca 0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.77 0.93 -2.50 1.61 0.31 -1.26 -4.34 118.33 109.30 3k0s n VAL 424 Ca -0.05 -0.25 -0.41 0.00 -0.01 0.00 0.00 64.34 63.62 3k0s n VAL 424 Cb 0.55 -1.66 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 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 -2.31 4.01 0.44 2.52 -1.09 -1.26 -1.25 121.20 122.26 3k0s s ILE 425 Ca -0.23 1.61 -0.22 0.00 -2.23 0.00 0.00 60.65 59.57 3k0s s ILE 425 Cb 0.09 -4.03 -0.09 0.00 -1.58 0.00 0.00 42.46 36.85 3k0s s ILE 425 CO 0.31 0.22 1.01 0.00 -1.23 0.00 0.00 174.94 175.24 3k0s s ALA 426 N 0.28 3.00 0.71 9.38 0.00 0.11 -4.68 121.76 130.55 3k0s s ALA 426 Ca 0.52 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.91 3k0s s ALA 426 Cb -0.29 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.63 3k0s s ALA 426 CO 0.32 -0.14 1.22 -1.54 0.00 0.00 0.00 175.76 175.62 3k0s s SER 427 N -1.88 4.35 0.00 0.00 1.04 -1.26 -3.00 113.70 112.95 3k0s s SER 427 Ca 0.62 2.39 0.00 0.00 0.48 0.00 0.00 55.95 59.44 3k0s s SER 427 Cb -0.16 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.36 3k0s s SER 427 CO 0.21 -2.16 0.00 0.61 0.98 0.00 0.00 173.24 172.88 3k0s n GLY 428 N 0.45 2.11 0.11 7.32 0.00 -1.26 -4.88 105.19 109.04 3k0s n GLY 428 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 0.51 -3.20 1.61 3.20 -1.73 -3.44 116.97 113.92 3k0s h TYR 429 Ca 0.00 -0.37 -0.42 0.00 3.14 0.00 0.00 58.73 61.08 3k0s h TYR 429 Cb 0.00 -0.02 -0.40 0.00 1.54 0.00 0.00 36.73 37.85 3k0s h TYR 429 CO 0.00 1.31 -0.75 1.21 -1.64 0.00 0.00 178.16 178.30 3k0s s ASN 430 N -7.13 1.74 0.16 -2.11 3.84 -1.26 -5.04 114.94 105.13 3k0s s ASN 430 Ca -0.05 -0.25 -0.16 0.00 0.21 0.00 0.00 52.86 52.61 3k0s s ASN 430 Cb 0.07 -0.23 0.09 0.00 -0.55 0.00 0.00 41.25 40.63 3k0s s ASN 430 CO 0.88 -0.29 1.74 -0.08 -2.79 0.00 0.00 177.10 176.57 3k0s h GLU 431 N 8.41 0.26 -0.43 0.43 4.81 -2.00 -1.47 114.58 124.60 3k0s h GLU 431 Ca -0.14 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3k0s h GLU 431 Cb 1.13 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3k0s h GLU 431 CO 0.22 0.17 0.19 1.49 -0.73 0.00 0.00 179.01 180.35 3k0s h GLU 432 N 0.27 0.37 -0.11 1.92 4.81 -1.99 -1.39 114.58 118.45 3k0s h GLU 432 Ca 0.18 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3k0s h GLU 432 Cb 0.18 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 3k0s h GLU 432 CO -0.20 0.24 -0.19 1.25 -0.73 0.00 0.00 179.01 179.38 3k0s h LEU 433 N 0.38 -0.59 -1.47 1.64 5.85 -1.79 -1.07 115.31 118.26 3k0s h LEU 433 Ca 0.19 0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.15 3k0s h LEU 433 Cb 0.14 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3k0s h LEU 433 CO -0.17 -0.24 0.52 0.44 -0.34 0.00 0.00 178.44 178.65 3k0s h ASP 434 N -0.25 0.50 -0.31 1.25 3.32 -0.86 -1.34 116.42 118.72 3k0s h ASP 434 Ca 0.09 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 3k0s h ASP 434 Cb 0.39 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3k0s h ASP 434 CO -0.26 0.26 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.02 3k0s h GLU 435 N 0.53 0.67 -0.22 3.56 5.08 -0.13 0.05 114.58 124.12 3k0s h GLU 435 Ca 0.39 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3k0s h GLU 435 Cb 0.76 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3k0s h GLU 435 CO -0.14 0.90 -0.24 -1.49 -1.00 0.00 0.00 179.01 177.03 3k0s h TRP 436 N 0.43 0.46 -0.15 4.33 4.06 -0.40 -0.80 115.95 123.88 3k0s h TRP 436 Ca 0.07 -0.09 -0.22 0.00 2.06 0.00 0.00 58.89 60.71 3k0s h TRP 436 Cb 0.71 -0.12 0.01 0.00 -1.00 0.00 0.00 29.16 28.76 3k0s h TRP 436 CO 0.06 0.63 -0.77 0.00 -3.56 0.00 0.00 178.44 174.80 3k0s h ARG 437 N 0.37 0.76 -0.49 0.49 3.08 -1.15 -0.32 114.38 117.11 3k0s h ARG 437 Ca 0.06 -0.61 -0.01 0.00 0.07 0.00 0.00 59.98 59.48 3k0s h ARG 437 Cb 0.63 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 3k0s h ARG 437 CO 0.04 1.22 0.27 0.00 -1.07 0.00 0.00 179.97 180.44 3k0s h ALA 438 N 0.60 0.63 0.12 0.04 0.00 -0.79 0.98 119.26 120.84 3k0s h ALA 438 Ca -0.05 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3k0s h ALA 438 Cb 1.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3k0s h ALA 438 CO 0.16 0.16 -0.13 -0.07 0.00 0.00 0.00 179.25 179.36 3k0s h LEU 439 N 0.65 -0.35 -1.30 0.00 3.38 -1.10 0.22 115.31 116.80 3k0s h LEU 439 Ca 0.17 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.32 3k0s h LEU 439 Cb 0.05 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 3k0s h LEU 439 CO -0.03 -0.20 0.57 0.00 0.09 0.00 0.00 178.44 178.87 3k0s h ALA 440 N 0.57 1.84 -0.13 1.53 0.00 -0.84 -2.06 119.26 120.16 3k0s h ALA 440 Ca 0.01 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3k0s h ALA 440 Cb 0.28 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3k0s h ALA 440 CO -0.05 -0.07 -0.58 -0.44 0.00 0.00 0.00 179.25 178.11 3k0s h ASP 441 N 0.69 0.74 -0.88 0.00 3.32 -0.22 -1.93 116.42 118.14 3k0s h ASP 441 Ca 0.44 -0.63 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3k0s h ASP 441 Cb 0.70 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3k0s h ASP 441 CO -0.20 1.25 0.46 1.23 -1.72 0.00 0.00 179.24 180.26 3k0s h GLY 442 N 0.28 1.34 0.92 2.75 0.00 -0.65 0.12 103.07 107.83 3k0s h GLY 442 Ca -0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3k0s h GLY 442 CO 0.12 0.60 0.11 0.00 0.00 0.00 0.00 176.54 177.37 3k0s h ALA 443 N 1.26 0.30 -0.06 3.60 0.00 -1.32 -0.95 119.26 122.10 3k0s h ALA 443 Ca 0.31 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3k0s h ALA 443 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k0s h ALA 443 CO -0.05 -0.14 -0.35 1.79 0.00 0.00 0.00 179.25 180.51 3k0s h THR 444 N 0.25 1.27 -0.55 0.00 1.35 -1.17 -2.29 112.91 111.77 3k0s h THR 444 Ca 0.08 -1.29 -0.09 0.00 -0.55 0.00 0.00 66.41 64.56 3k0s h THR 444 Cb 0.12 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 3k0s h THR 444 CO -0.01 0.38 -0.02 0.44 -0.25 0.00 0.00 175.52 176.06 3k0s h ASP 445 N 0.10 0.97 -0.70 5.36 3.32 -0.72 -1.69 116.42 123.06 3k0s h ASP 445 Ca 0.01 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 3k0s h ASP 445 Cb 0.67 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3k0s h ASP 445 CO 0.05 1.05 0.33 0.22 -1.72 0.00 0.00 179.24 179.17 3k0s h TYR 446 N 0.87 1.01 -0.53 4.55 5.03 -0.87 -1.10 116.97 125.93 3k0s h TYR 446 Ca 0.15 -0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.36 3k0s h TYR 446 Cb 0.56 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 3k0s h TYR 446 CO 0.04 0.75 0.13 -0.07 -1.32 0.00 0.00 178.16 177.70 3k0s h LEU 447 N 0.98 0.80 -1.20 2.82 3.38 -1.24 0.47 115.31 121.32 3k0s h LEU 447 Ca 0.24 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3k0s h LEU 447 Cb 0.12 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3k0s h LEU 447 CO -0.03 0.82 0.57 -0.33 0.09 0.00 0.00 178.44 179.57 3k0s h GLU 448 N 0.75 0.86 0.00 1.13 5.08 -1.04 0.11 114.58 121.47 3k0s h GLU 448 Ca 0.17 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 3k0s h GLU 448 Cb 0.33 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3k0s h GLU 448 CO 0.00 0.57 -0.93 0.00 -1.00 0.00 0.00 179.01 177.65 3k0s h ARG 449 N 0.88 0.01 -0.24 2.33 3.08 -0.50 -2.89 114.38 117.05 3k0s h ARG 449 Ca 0.41 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 3k0s h ARG 449 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3k0s h ARG 449 CO -0.18 0.93 0.10 1.25 -1.07 0.00 0.00 179.97 181.01 3k0s h LEU 450 N 0.00 0.33 -0.31 3.04 6.46 0.75 0.16 115.31 125.75 3k0s h LEU 450 Ca -0.01 -0.16 0.07 0.00 -0.12 0.00 0.00 57.88 57.66 3k0s h LEU 450 Cb 1.64 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 41.40 3k0s h LEU 450 CO 0.12 0.40 -0.29 -0.08 -0.62 0.00 0.00 178.44 177.98 3k0s h GLU 451 N 0.24 -0.26 0.26 1.25 4.81 -0.77 0.23 114.58 120.35 3k0s h GLU 451 Ca 0.08 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3k0s h GLU 451 Cb 0.17 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3k0s h GLU 451 CO -0.01 -0.17 -0.15 0.28 -0.73 0.00 0.00 179.01 178.23 3k0s h VAL 452 N -0.27 0.67 -0.51 0.32 2.07 -1.29 0.12 116.25 117.37 3k0s h VAL 452 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 3k0s h VAL 452 Cb 0.51 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3k0s h VAL 452 CO -0.46 0.00 0.13 -0.09 0.02 0.00 0.00 177.57 177.17 3k0s h ARG 453 N -0.40 0.28 -0.23 1.57 2.43 -0.34 -1.19 114.38 116.49 3k0s h ARG 453 Ca -0.03 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3k0s h ARG 453 Cb 0.33 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3k0s h ARG 453 CO 0.03 0.18 -0.26 0.93 -1.51 0.00 0.00 179.97 179.35 3k0s h GLU 454 N 0.28 0.45 0.08 0.20 4.39 -0.27 -1.41 114.58 118.30 3k0s h GLU 454 Ca 0.25 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3k0s h GLU 454 Cb 0.32 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3k0s h GLU 454 CO -0.30 0.67 -0.04 -0.09 -1.16 0.00 0.00 179.01 178.09 3k0s h ARG 455 N 0.40 -0.10 -0.97 2.33 2.43 -0.16 -1.29 114.38 117.02 3k0s h ARG 455 Ca 0.06 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 3k0s h ARG 455 Cb 0.66 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 3k0s h ARG 455 CO 0.05 0.33 0.63 0.93 -1.51 0.00 0.00 179.97 180.39 3k0s h GLU 456 N -0.57 1.13 -0.38 0.20 5.08 -1.24 0.12 114.58 118.93 3k0s h GLU 456 Ca -0.01 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3k0s h GLU 456 Cb 0.48 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3k0s h GLU 456 CO 0.02 0.75 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.50 3k0s h ARG 457 N 1.17 0.80 0.00 2.33 2.43 -1.19 -3.17 114.38 116.74 3k0s h ARG 457 Ca 0.40 -0.35 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 3k0s h ARG 457 Cb 0.10 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3k0s h ARG 457 CO -0.15 0.98 -1.02 1.79 -1.51 0.00 0.00 179.97 180.05 3k0s h THR 458 N 0.60 1.39 -0.11 0.20 1.35 -1.08 -3.48 112.91 111.79 3k0s h THR 458 Ca 0.09 -3.05 -0.04 0.00 -0.55 0.00 0.00 66.41 62.86 3k0s h THR 458 Cb 0.73 2.68 -0.02 0.00 -1.73 0.00 0.00 68.15 69.82 3k0s h THR 458 CO 0.06 0.79 -0.04 0.61 -0.25 0.00 0.00 175.52 176.69 3k0s n GLY 459 N 1.36 0.53 3.35 5.82 0.00 0.42 -5.02 105.19 111.65 3k0s n GLY 459 Ca -0.02 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.47 5.48 0.00 0.99 1.43 -1.22 -4.96 118.68 119.93 3k0s s LEU 460 Ca 0.00 -1.38 0.18 0.00 -1.03 0.00 0.00 54.13 51.90 3k0s s LEU 460 Cb 0.00 -2.12 0.83 0.00 0.03 0.00 0.00 46.19 44.93 3k0s s LEU 460 CO 0.00 -0.61 1.59 -0.90 0.23 0.00 0.00 176.35 176.65 3k0s n ASP 461 N 5.11 0.00 -0.17 2.29 5.68 -1.26 -1.24 116.55 126.95 3k0s n ASP 461 Ca -0.12 0.37 0.13 0.00 -0.50 0.00 0.00 54.79 54.67 3k0s n ASP 461 Cb 0.43 -0.44 0.40 0.00 -1.14 0.00 0.00 41.12 40.37 3k0s n ASP 461 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3k0s n THR 462 N -1.44 0.00 -1.86 2.12 -2.24 -1.26 -4.94 114.28 104.67 3k0s n THR 462 Ca 0.06 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 3k0s n THR 462 Cb 0.20 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.60 4.37 0.02 3.22 0.20 -0.38 -4.57 118.68 118.94 3k0s s LEU 463 Ca 0.22 2.66 -0.03 0.00 0.69 0.00 0.00 54.13 57.68 3k0s s LEU 463 Cb 0.19 -3.58 -0.01 0.00 -0.43 0.00 0.00 46.19 42.35 3k0s s LEU 463 CO 0.55 -0.90 0.03 -0.54 -0.29 0.00 0.00 176.35 175.20 3k0s s LYS 464 N 1.75 0.39 -0.12 1.98 1.02 -0.56 -4.88 119.74 119.33 3k0s s LYS 464 Ca 0.74 -0.58 -0.10 0.00 0.02 0.00 0.00 55.97 56.04 3k0s s LYS 464 Cb -0.44 0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 36.97 3k0s s LYS 464 CO 0.32 -0.08 0.22 0.08 -0.92 0.00 0.00 175.35 174.98 3k0s s VAL 465 N -1.61 5.36 0.25 3.17 1.01 -1.26 0.43 120.40 127.74 3k0s s VAL 465 Ca -0.14 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.30 3k0s s VAL 465 Cb -0.08 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3k0s s VAL 465 CO -0.01 0.53 0.21 0.61 0.00 0.00 0.00 175.10 176.45 3k0s n GLY 466 N 2.50 3.19 3.11 4.51 0.00 -0.03 -4.96 105.19 113.52 3k0s n GLY 466 Ca -0.16 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 3k0s n GLY 466 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k0s s PHE 467 N -3.01 -0.27 0.27 1.61 2.19 -1.26 -1.60 117.98 115.91 3k0s s PHE 467 Ca 0.30 0.65 -0.09 0.00 0.33 0.00 0.00 56.93 58.11 3k0s s PHE 467 Cb 0.01 0.08 -0.00 0.00 -1.31 0.00 0.00 43.02 41.80 3k0s s PHE 467 CO 0.21 -0.14 0.45 0.54 1.83 0.00 0.00 175.22 178.11 3k0s s ASN 468 N 0.24 0.15 0.03 6.13 2.20 -0.87 -5.00 114.94 117.82 3k0s s ASN 468 Ca -0.01 -1.10 -0.31 0.00 -0.94 0.00 0.00 52.86 50.49 3k0s s ASN 468 Cb -0.03 0.59 -0.17 0.00 -2.00 0.00 0.00 41.25 39.64 3k0s s ASN 468 CO -0.01 -1.16 1.32 0.00 -2.94 0.00 0.00 177.10 174.32 3k0s h ALA 469 N 2.26 -1.07 -0.40 3.54 0.00 -2.03 0.14 119.26 121.69 3k0s h ALA 469 Ca -0.28 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.48 3k0s h ALA 469 Cb 1.25 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 3k0s h ALA 469 CO 0.38 -1.02 -0.23 0.28 0.00 0.00 0.00 179.25 178.66 3k0s h VAL 470 N -1.24 0.37 -0.01 0.00 2.07 -2.05 -3.17 116.25 112.22 3k0s h VAL 470 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3k0s h VAL 470 Cb 0.83 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3k0s h VAL 470 CO 0.18 0.00 -0.39 1.41 0.02 0.00 0.00 177.57 178.79 3k0s n HIS 471 N -5.39 0.00 -4.92 1.57 8.25 -1.25 -5.07 115.22 108.41 3k0s n HIS 471 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3k0s n HIS 471 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 1.17 2.70 3.76 -1.41 0.00 0.48 -4.71 105.19 107.18 3k0s n GLY 472 Ca 0.06 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 3.56 0.11 1.61 2.02 -1.26 -2.05 117.35 121.34 3k0s s TYR 473 Ca 0.00 1.71 -0.12 0.00 -0.37 0.00 0.00 57.07 58.29 3k0s s TYR 473 Cb 0.00 -3.23 0.01 0.00 -0.40 0.00 0.00 41.96 38.34 3k0s s TYR 473 CO 0.00 -0.48 0.29 1.52 -1.57 0.00 0.00 175.55 175.32 3k0s s TYR 474 N -1.25 0.01 -0.26 2.71 -0.85 -0.63 -4.85 117.35 112.24 3k0s s TYR 474 Ca 0.46 -0.39 -0.08 0.00 -0.52 0.00 0.00 57.07 56.54 3k0s s TYR 474 Cb -0.30 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.10 3k0s s TYR 474 CO 0.38 -0.63 0.09 0.42 -1.52 0.00 0.00 175.55 174.29 3k0s s ILE 475 N -3.84 4.46 -0.15 -3.49 1.01 -0.09 -0.86 121.20 118.25 3k0s s ILE 475 Ca 0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 3k0s s ILE 475 Cb 0.03 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3k0s s ILE 475 CO -0.10 0.30 0.13 -1.58 0.00 0.00 0.00 174.94 173.68 3k0s s GLN 476 N 1.63 3.72 -0.01 2.79 0.74 0.17 -1.08 119.66 127.61 3k0s s GLN 476 Ca 0.06 -0.19 0.04 0.00 0.05 0.00 0.00 55.36 55.33 3k0s s GLN 476 Cb -0.15 -3.26 -0.01 0.00 1.10 0.00 0.00 33.01 30.69 3k0s s GLN 476 CO 0.05 0.58 -0.13 0.42 -0.55 0.00 0.00 175.29 175.65 3k0s s ILE 477 N -0.45 1.07 0.74 -2.34 1.01 -0.24 -1.49 121.20 119.49 3k0s s ILE 477 Ca 0.12 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 3k0s s ILE 477 Cb -0.12 -0.90 0.04 0.00 0.01 0.00 0.00 42.46 41.50 3k0s s ILE 477 CO 0.02 0.30 1.24 -0.94 0.00 0.00 0.00 174.94 175.56 3k0s s SER 478 N -0.26 4.01 0.24 3.58 1.04 -1.26 0.07 113.70 121.13 3k0s s SER 478 Ca 0.04 2.47 -0.05 0.00 0.48 0.00 0.00 55.95 58.90 3k0s s SER 478 Cb -0.06 -2.60 0.44 0.00 0.10 0.00 0.00 66.02 63.90 3k0s s SER 478 CO -0.00 -2.39 1.74 -0.09 0.98 0.00 0.00 173.24 173.48 3k0s h ARG 479 N -0.30 0.46 0.00 4.02 2.43 -1.39 0.84 114.38 120.45 3k0s h ARG 479 Ca -0.48 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3k0s h ARG 479 Cb 1.31 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3k0s h ARG 479 CO 0.49 0.31 -0.06 0.78 -1.51 0.00 0.00 179.97 179.98 3k0s h GLY 480 N 0.48 0.00 0.00 2.80 0.00 -1.90 -2.85 103.07 101.59 3k0s h GLY 480 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3k0s h GLY 480 CO -0.38 0.00 -1.40 -1.06 0.00 0.00 0.00 176.54 173.70 3k0s n GLN 481 N -3.30 0.95 0.13 4.80 6.02 -0.60 -4.69 117.38 120.69 3k0s n GLN 481 Ca -0.01 -0.10 0.19 0.00 -0.01 0.00 0.00 57.00 57.07 3k0s n GLN 481 Cb 0.23 -1.32 0.77 0.00 1.02 0.00 0.00 30.24 30.94 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 0.00 0.00 1.02 1.08 4.64 -0.63 0.29 113.55 119.95 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 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3k0s h SER 482 CO 0.00 0.00 0.00 1.12 -0.87 0.00 0.00 176.83 177.08 3k0s h HIS 483 N 0.00 0.00 -0.23 4.77 2.07 -1.84 -1.42 115.15 118.50 3k0s h HIS 483 Ca 0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.67 3k0s h HIS 483 Cb 0.78 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.76 3k0s h HIS 483 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3k0s n LEU 484 N -2.59 2.10 -4.60 6.12 4.77 0.10 -4.93 117.00 117.97 3k0s n LEU 484 Ca 0.02 -0.89 -0.47 0.00 -0.03 0.00 0.00 56.01 54.63 3k0s n LEU 484 Cb 0.30 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3k0s n LEU 484 CO 0.25 0.45 0.76 0.00 -1.33 0.00 0.00 177.39 177.52 3k0s n ALA 485 N 0.61 -0.31 -1.76 -1.18 0.00 -0.54 -4.92 120.51 112.41 3k0s n ALA 485 Ca 0.17 0.44 -0.38 0.00 0.00 0.00 0.00 53.44 53.67 3k0s n ALA 485 Cb 0.39 -2.08 0.01 0.00 0.00 0.00 0.00 19.45 17.77 3k0s n ALA 485 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3k0s s PRO 486 N -0.52 3.60 0.59 0.00 0.02 -1.26 -4.92 135.00 132.51 3k0s s PRO 486 Ca 0.70 1.98 0.33 0.00 0.02 0.00 0.00 61.00 64.03 3k0s s PRO 486 Cb -0.79 -2.41 1.84 0.00 0.02 0.00 0.00 34.50 33.15 3k0s s PRO 486 CO 0.52 -0.74 2.21 0.97 -0.33 0.00 0.00 177.00 179.64 3k0s h ILE 487 N 1.83 0.38 0.00 2.83 2.10 -1.99 -1.40 117.51 121.25 3k0s h ILE 487 Ca -0.50 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.25 3k0s h ILE 487 Cb 1.26 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 38.13 3k0s h ILE 487 CO 0.60 0.04 0.00 -0.55 -1.08 0.00 0.00 178.15 177.15 3k0s h ASN 488 N 0.00 0.00 -2.62 2.19 -1.07 -2.00 -3.44 115.58 108.65 3k0s h ASN 488 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 56.30 55.81 3k0s h ASN 488 Cb 0.13 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.37 3k0s h ASN 488 CO 0.00 0.00 1.18 -0.31 0.07 0.00 0.00 177.43 178.37 3k0s s TYR 489 N -3.57 1.90 -0.34 4.14 1.51 -0.53 -4.85 117.35 115.60 3k0s s TYR 489 Ca 0.02 0.41 -0.24 0.00 -1.01 0.00 0.00 57.07 56.25 3k0s s TYR 489 Cb 0.09 -4.00 0.01 0.00 -0.11 0.00 0.00 41.96 37.95 3k0s s TYR 489 CO 0.52 -3.43 0.82 -1.64 -1.11 0.00 0.00 175.55 170.70 3k0s s MET 490 N 4.79 3.86 0.21 -0.62 -1.94 -0.56 -4.92 119.30 120.12 3k0s s MET 490 Ca 0.77 0.48 -0.30 0.00 -1.71 0.00 0.00 55.69 54.93 3k0s s MET 490 Cb -0.28 -3.77 -0.08 0.00 2.01 0.00 0.00 34.83 32.70 3k0s s MET 490 CO 0.31 -0.80 1.13 0.50 -0.01 0.00 0.00 175.02 176.16 3k0s s ARG 491 N 3.12 4.57 0.00 2.03 3.52 -1.26 0.02 118.95 130.95 3k0s s ARG 491 Ca 0.33 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.73 3k0s s ARG 491 Cb -0.13 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 3k0s s ARG 491 CO 0.15 0.06 0.00 0.54 -0.81 0.00 0.00 175.30 175.24 3k0s n ARG 492 N 2.05 2.64 -3.45 5.12 5.12 0.82 -4.88 116.66 124.07 3k0s n ARG 492 Ca 0.02 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.93 3k0s n ARG 492 Cb 0.45 -0.78 -0.04 0.00 -1.16 0.00 0.00 32.46 30.93 3k0s n ARG 492 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3k0s s GLN 493 N -1.12 0.53 -0.10 5.56 0.74 -1.04 -5.01 119.66 119.22 3k0s s GLN 493 Ca 0.00 1.18 -0.20 0.00 0.05 0.00 0.00 55.36 56.39 3k0s s GLN 493 Cb 0.00 0.59 -0.04 0.00 1.10 0.00 0.00 33.01 34.66 3k0s s GLN 493 CO 0.00 -0.39 0.54 0.99 -0.55 0.00 0.00 175.29 175.88 3k0s s THR 494 N 2.82 5.14 0.43 -0.34 2.01 -1.26 -0.97 115.64 123.46 3k0s s THR 494 Ca 0.05 1.09 0.07 0.00 0.31 0.00 0.00 61.69 63.22 3k0s s THR 494 Cb -0.13 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3k0s s THR 494 CO -0.19 0.31 0.29 -0.76 -0.69 0.00 0.00 174.62 173.59 3k0s s LEU 495 N 0.61 3.22 0.33 4.42 1.02 0.44 -5.01 118.68 123.69 3k0s s LEU 495 Ca 0.29 -0.93 0.06 0.00 0.02 0.00 0.00 54.13 53.57 3k0s s LEU 495 Cb -0.16 -1.72 0.72 0.00 0.02 0.00 0.00 46.19 45.05 3k0s s LEU 495 CO 0.13 -0.64 1.85 0.50 0.02 0.00 0.00 176.35 178.21 3k0s h LYS 496 N 1.18 0.79 0.00 1.70 3.64 -2.03 -3.19 116.57 118.65 3k0s h LYS 496 Ca -0.42 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 3k0s h LYS 496 Cb 1.26 -0.18 -0.17 0.00 -0.41 0.00 0.00 32.23 32.74 3k0s h LYS 496 CO 0.63 0.52 -0.67 -1.71 -2.27 0.00 0.00 179.45 175.95 3k0s n ASN 497 N -4.59 1.02 -3.48 4.20 5.15 -1.26 -4.96 115.26 111.33 3k0s n ASN 497 Ca 0.18 -2.48 -0.13 0.00 -0.60 0.00 0.00 54.58 51.55 3k0s n ASN 497 Cb 0.43 -0.33 -0.03 0.00 -0.53 0.00 0.00 39.78 39.32 3k0s n ASN 497 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k0s s ALA 498 N -0.93 -1.49 0.03 5.20 0.00 -1.21 -1.05 121.76 122.30 3k0s s ALA 498 Ca 0.25 0.54 0.09 0.00 0.00 0.00 0.00 51.96 52.83 3k0s s ALA 498 Cb 0.27 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 3k0s s ALA 498 CO -0.08 -0.66 -0.25 -1.21 0.00 0.00 0.00 175.76 173.55 3k0s s GLU 499 N -3.25 1.82 -0.08 0.00 0.41 0.11 -0.42 118.70 117.30 3k0s s GLU 499 Ca -0.01 -1.03 0.04 0.00 -0.41 0.00 0.00 54.97 53.56 3k0s s GLU 499 Cb -0.00 -1.92 -0.01 0.00 -1.78 0.00 0.00 34.13 30.41 3k0s s GLU 499 CO -0.08 0.51 -0.21 1.03 -0.49 0.00 0.00 175.26 176.01 3k0s s ARG 500 N -1.03 2.82 0.17 1.61 0.52 -0.14 -1.08 118.95 121.81 3k0s s ARG 500 Ca 0.11 -0.83 0.09 0.00 -0.52 0.00 0.00 55.73 54.58 3k0s s ARG 500 Cb -0.10 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 3k0s s ARG 500 CO 0.01 0.34 -0.19 0.71 0.02 0.00 0.00 175.30 176.19 3k0s s TYR 501 N -0.03 1.86 0.22 -0.53 1.51 -0.24 -0.13 117.35 120.00 3k0s s TYR 501 Ca -0.06 -0.46 0.11 0.00 -1.01 0.00 0.00 57.07 55.65 3k0s s TYR 501 Cb -0.15 -0.93 -0.05 0.00 -0.11 0.00 0.00 41.96 40.73 3k0s s TYR 501 CO 0.05 0.34 -0.19 0.96 -1.11 0.00 0.00 175.55 175.60 3k0s s ILE 502 N -2.00 2.58 0.04 2.71 -4.36 0.10 -0.91 121.20 119.36 3k0s s ILE 502 Ca 0.16 -2.05 -0.00 0.00 -0.26 0.00 0.00 60.65 58.49 3k0s s ILE 502 Cb -0.06 -2.28 -0.03 0.00 1.25 0.00 0.00 42.46 41.34 3k0s s ILE 502 CO 0.07 -0.20 -0.04 0.27 0.24 0.00 0.00 174.94 175.29 3k0s s ILE 503 N -1.91 0.24 0.30 8.37 -4.36 -1.26 -1.49 121.20 121.09 3k0s s ILE 503 Ca 0.24 -1.41 0.06 0.00 -0.26 0.00 0.00 60.65 59.28 3k0s s ILE 503 Cb -0.07 -0.97 0.30 0.00 1.25 0.00 0.00 42.46 42.96 3k0s s ILE 503 CO 0.12 -0.75 1.71 -0.65 0.24 0.00 0.00 174.94 175.61 3k0s h PRO 504 N 3.82 0.44 -0.90 0.37 0.11 -1.99 0.01 132.00 133.86 3k0s h PRO 504 Ca -0.33 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.75 3k0s h PRO 504 Cb 1.17 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3k0s h PRO 504 CO 0.54 0.29 0.59 1.49 -0.21 0.00 0.00 178.00 180.70 3k0s h GLU 505 N 0.46 1.20 0.14 1.05 4.81 -1.99 0.10 114.58 120.35 3k0s h GLU 505 Ca 0.60 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.74 3k0s h GLU 505 Cb 1.15 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.27 3k0s h GLU 505 CO -0.51 0.80 -0.07 1.25 -0.73 0.00 0.00 179.01 179.75 3k0s h LEU 506 N 1.23 -0.16 -1.64 1.64 5.85 -1.41 -2.92 115.31 117.89 3k0s h LEU 506 Ca 0.33 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3k0s h LEU 506 Cb -0.12 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3k0s h LEU 506 CO -0.07 0.17 -0.19 0.11 -0.34 0.00 0.00 178.44 178.12 3k0s h LYS 507 N -0.51 0.00 0.17 1.25 1.79 -1.30 -1.65 116.57 116.32 3k0s h LYS 507 Ca -0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3k0s h LYS 507 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3k0s h LYS 507 CO 0.03 0.19 -0.08 1.49 -1.08 0.00 0.00 179.45 180.00 3k0s h GLU 508 N 0.00 -0.22 0.00 3.15 4.81 -0.81 -2.79 114.58 118.72 3k0s h GLU 508 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3k0s h GLU 508 Cb 0.35 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3k0s h GLU 508 CO 0.02 -0.15 0.00 0.66 -0.73 0.00 0.00 179.01 178.82 3k0s n TYR 509 N -5.19 0.93 0.28 0.92 4.02 -1.10 -3.05 117.16 113.97 3k0s n TYR 509 Ca -0.09 0.29 -0.16 0.00 -0.01 0.00 0.00 57.90 57.93 3k0s n TYR 509 Cb 0.12 -0.97 -0.08 0.00 -0.02 0.00 0.00 39.34 38.39 3k0s n TYR 509 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3k0s h GLU 510 N 0.00 -0.64 -0.79 -0.72 4.81 -1.05 -0.52 114.58 115.67 3k0s h GLU 510 Ca 0.00 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.42 3k0s h GLU 510 Cb 0.68 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 30.11 3k0s h GLU 510 CO 0.00 -0.42 0.34 -0.44 -0.73 0.00 0.00 179.01 177.76 3k0s h ASP 511 N -0.68 0.35 0.61 1.04 3.32 -1.42 0.64 116.42 120.28 3k0s h ASP 511 Ca -0.07 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3k0s h ASP 511 Cb 0.52 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3k0s h ASP 511 CO 0.11 0.13 -0.41 0.11 -1.72 0.00 0.00 179.24 177.47 3k0s h LYS 512 N 0.49 -0.94 -0.27 3.56 1.57 -1.46 0.80 116.57 120.32 3k0s h LYS 512 Ca 0.43 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 59.34 3k0s h LYS 512 Cb 0.65 0.21 -0.08 0.00 0.08 0.00 0.00 32.23 33.10 3k0s h LYS 512 CO -0.40 -0.63 -0.30 0.28 -0.57 0.00 0.00 179.45 177.84 3k0s h VAL 513 N -0.97 0.30 -0.42 0.50 2.07 -0.59 -2.50 116.25 114.63 3k0s h VAL 513 Ca -0.07 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.31 3k0s h VAL 513 Cb 0.80 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3k0s h VAL 513 CO 0.06 0.00 -0.27 -0.07 0.02 0.00 0.00 177.57 177.31 3k0s h LEU 514 N -0.30 0.92 -0.13 2.57 3.38 -0.70 0.48 115.31 121.53 3k0s h LEU 514 Ca 0.14 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 3k0s h LEU 514 Cb 0.52 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3k0s h LEU 514 CO -0.43 1.13 -0.28 0.71 0.09 0.00 0.00 178.44 179.66 3k0s h THR 515 N 0.76 1.37 0.29 0.22 1.35 -0.80 0.62 112.91 116.72 3k0s h THR 515 Ca 0.09 -1.55 -0.01 0.00 -0.55 0.00 0.00 66.41 64.39 3k0s h THR 515 Cb 0.83 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3k0s h THR 515 CO 0.07 0.46 -0.14 0.28 -0.25 0.00 0.00 175.52 175.94 3k0s h SER 516 N 0.02 -0.32 -0.20 5.36 0.02 -1.44 0.47 113.55 117.47 3k0s h SER 516 Ca 0.00 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3k0s h SER 516 Cb 0.87 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3k0s h SER 516 CO 0.06 -0.21 0.13 0.50 -1.14 0.00 0.00 176.83 176.17 3k0s h LYS 517 N -0.41 0.18 -0.02 3.45 3.64 -0.92 0.55 116.57 123.04 3k0s h LYS 517 Ca -0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3k0s h LYS 517 Cb 0.31 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3k0s h LYS 517 CO 0.06 0.12 -0.01 0.78 -2.27 0.00 0.00 179.45 178.13 3k0s h GLY 518 N 0.18 0.04 1.62 5.01 0.00 -0.46 -2.43 103.07 107.03 3k0s h GLY 518 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3k0s h GLY 518 CO -0.01 0.03 0.12 0.50 0.00 0.00 0.00 176.54 177.18 3k0s h LYS 519 N -0.34 0.49 -0.45 4.80 1.57 0.25 -2.35 116.57 120.54 3k0s h LYS 519 Ca 0.00 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3k0s h LYS 519 Cb 0.40 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3k0s h LYS 519 CO 0.00 0.42 -0.08 0.00 -0.57 0.00 0.00 179.45 179.22 3k0s h ALA 520 N 1.65 0.62 -0.40 3.86 0.00 -0.91 -2.39 119.26 121.69 3k0s h ALA 520 Ca 0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3k0s h ALA 520 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3k0s h ALA 520 CO -0.01 0.49 0.08 1.25 0.00 0.00 0.00 179.25 181.07 3k0s h LEU 521 N 0.70 0.62 -1.47 0.00 5.85 -1.09 -0.99 115.31 118.92 3k0s h LEU 521 Ca 0.12 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3k0s h LEU 521 Cb 0.62 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3k0s h LEU 521 CO 0.04 0.71 0.20 0.00 -0.34 0.00 0.00 178.44 179.05 3k0s h ALA 522 N 0.94 1.60 -0.02 1.25 0.00 -1.43 -2.44 119.26 119.15 3k0s h ALA 522 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3k0s h ALA 522 Cb 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3k0s h ALA 522 CO 0.00 0.33 -0.04 1.25 0.00 0.00 0.00 179.25 180.79 3k0s h LEU 523 N 0.56 0.08 -0.73 0.00 5.85 -0.98 -2.87 115.31 117.23 3k0s h LEU 523 Ca 0.14 -0.56 0.16 0.00 0.84 0.00 0.00 57.88 58.47 3k0s h LEU 523 Cb 0.05 -0.02 -0.12 0.00 0.37 0.00 0.00 40.66 40.94 3k0s h LEU 523 CO -0.02 0.63 0.08 -0.33 -0.34 0.00 0.00 178.44 178.45 3k0s h GLU 524 N -0.46 0.16 -0.44 1.25 5.08 -1.03 -0.38 114.58 118.77 3k0s h GLU 524 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3k0s h GLU 524 Cb 0.61 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3k0s h GLU 524 CO 0.01 0.11 0.13 0.87 -1.00 0.00 0.00 179.01 179.13 3k0s h LYS 525 N 0.17 0.64 -0.06 2.33 1.57 -1.37 0.24 116.57 120.07 3k0s h LYS 525 Ca 0.40 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.92 3k0s h LYS 525 Cb 0.71 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.92 3k0s h LYS 525 CO -0.59 0.56 -0.58 1.96 -0.57 0.00 0.00 179.45 180.23 3k0s h GLN 526 N 0.63 0.51 -0.64 3.15 1.08 -0.99 -1.41 115.11 117.43 3k0s h GLN 526 Ca 0.15 -0.46 -0.04 0.00 -1.45 0.00 0.00 58.65 56.85 3k0s h GLN 526 Cb 0.19 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 3k0s h GLN 526 CO -0.01 1.10 0.26 -0.07 -0.95 0.00 0.00 178.83 179.15 3k0s h LEU 527 N 0.08 0.86 0.11 1.46 3.38 -0.73 0.84 115.31 121.32 3k0s h LEU 527 Ca -0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3k0s h LEU 527 Cb 1.25 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3k0s h LEU 527 CO 0.12 0.77 -0.05 0.22 0.09 0.00 0.00 178.44 179.58 3k0s h TYR 528 N 0.92 -0.14 -0.83 1.13 3.20 -0.50 -1.83 116.97 118.92 3k0s h TYR 528 Ca 0.22 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.15 3k0s h TYR 528 Cb 0.18 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 3k0s h TYR 528 CO 0.01 0.03 0.54 0.93 -1.64 0.00 0.00 178.16 178.04 3k0s h GLU 529 N -0.29 0.86 -0.04 1.82 4.39 -0.97 -1.07 114.58 119.27 3k0s h GLU 529 Ca -0.02 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3k0s h GLU 529 Cb 0.24 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3k0s h GLU 529 CO 0.03 0.57 -0.08 1.49 -1.16 0.00 0.00 179.01 179.85 3k0s h GLU 530 N 0.89 0.06 -0.50 2.33 4.81 -0.26 -1.52 114.58 120.40 3k0s h GLU 530 Ca 0.36 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 3k0s h GLU 530 Cb 0.26 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3k0s h GLU 530 CO -0.13 0.15 0.18 -0.07 -0.73 0.00 0.00 179.01 178.42 3k0s h LEU 531 N 0.06 0.65 -0.72 1.64 3.38 -0.38 -1.35 115.31 118.61 3k0s h LEU 531 Ca 0.01 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3k0s h LEU 531 Cb 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3k0s h LEU 531 CO 0.01 0.60 0.16 -0.26 0.09 0.00 0.00 178.44 179.05 3k0s h PHE 532 N 0.71 1.20 0.00 1.13 -1.00 -1.27 -1.51 116.94 116.20 3k0s h PHE 532 Ca 0.17 -0.15 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 3k0s h PHE 532 Cb 0.16 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.38 3k0s h PHE 532 CO 0.01 0.98 -0.20 -0.44 -1.61 0.00 0.00 178.31 177.04 3k0s h ASP 533 N 1.08 0.00 0.67 2.17 3.32 -0.98 -0.82 116.42 121.86 3k0s h ASP 533 Ca 0.22 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 3k0s h ASP 533 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3k0s h ASP 533 CO 0.00 0.20 -1.39 0.18 -1.72 0.00 0.00 179.24 176.52 3k0s n LEU 534 N -4.10 0.67 -0.04 1.55 4.77 -0.63 -4.36 117.00 114.86 3k0s n LEU 534 Ca -0.02 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 3k0s n LEU 534 Cb 0.28 0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 3k0s n LEU 534 CO 0.35 -0.00 -0.74 0.18 -1.33 0.00 0.00 177.39 175.85 3k0s n LEU 535 N -2.69 2.38 -0.22 2.23 4.77 -0.59 -4.42 117.00 118.45 3k0s n LEU 535 Ca -0.06 0.28 0.16 0.00 -0.03 0.00 0.00 56.01 56.36 3k0s n LEU 535 Cb 0.69 -1.06 0.48 0.00 -2.33 0.00 0.00 43.42 41.19 3k0s n LEU 535 CO 0.42 0.66 1.22 -0.07 -1.33 0.00 0.00 177.39 178.29 3k0s h LEU 536 N -0.30 0.46 -2.23 2.23 3.38 -1.35 -1.04 115.31 116.45 3k0s h LEU 536 Ca -0.41 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3k0s h LEU 536 Cb 1.79 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3k0s h LEU 536 CO -0.02 0.21 0.00 -0.65 0.09 0.00 0.00 178.44 178.07 3k0s h PRO 537 N 0.47 0.00 -0.56 1.13 0.11 -1.77 -1.37 132.00 130.01 3k0s h PRO 537 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3k0s h PRO 537 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3k0s h PRO 537 CO -0.16 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.35 3k0s n HIS 538 N -2.68 1.13 -0.07 0.65 8.25 -0.39 -4.69 115.22 117.43 3k0s n HIS 538 Ca -0.02 -0.60 -0.07 0.00 -0.26 0.00 0.00 57.72 56.77 3k0s n HIS 538 Cb 0.05 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 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 3.47 -0.38 0.27 2.41 5.85 -1.35 0.14 115.31 125.71 3k0s h LEU 539 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3k0s h LEU 539 Cb 1.23 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 3k0s h LEU 539 CO 0.14 -0.14 -0.50 -0.08 -0.34 0.00 0.00 178.44 177.52 3k0s h GLU 540 N -0.06 -0.80 -0.78 1.25 4.81 -1.84 0.36 114.58 117.52 3k0s h GLU 540 Ca 0.14 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.55 3k0s h GLU 540 Cb 0.28 0.18 -0.09 0.00 0.63 0.00 0.00 28.75 29.75 3k0s h GLU 540 CO -0.32 -0.54 0.37 0.00 -0.73 0.00 0.00 179.01 177.80 3k0s h ALA 541 N -0.59 1.13 -0.71 2.92 0.00 -1.85 -1.33 119.26 118.83 3k0s h ALA 541 Ca -0.02 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3k0s h ALA 541 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3k0s h ALA 541 CO -0.20 -0.11 0.26 -0.07 0.00 0.00 0.00 179.25 179.13 3k0s h LEU 542 N 0.57 0.99 -0.68 0.00 3.38 0.33 -1.53 115.31 118.37 3k0s h LEU 542 Ca 0.42 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 3k0s h LEU 542 Cb 0.56 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3k0s h LEU 542 CO -0.35 0.90 0.15 1.56 0.09 0.00 0.00 178.44 180.79 3k0s h GLN 543 N 1.04 1.10 -0.67 1.13 4.20 0.71 -1.45 115.11 121.17 3k0s h GLN 543 Ca 0.24 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3k0s h GLN 543 Cb 0.24 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3k0s h GLN 543 CO -0.02 0.98 0.36 1.96 -0.67 0.00 0.00 178.83 181.44 3k0s h GLN 544 N 1.02 0.93 -0.16 1.46 4.20 -0.94 -1.97 115.11 119.66 3k0s h GLN 544 Ca 0.21 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3k0s h GLN 544 Cb 0.39 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3k0s h GLN 544 CO 0.01 0.70 -0.01 1.03 -0.67 0.00 0.00 178.83 179.88 3k0s h SER 545 N 0.94 0.29 0.14 1.46 0.87 -0.73 0.12 113.55 116.64 3k0s h SER 545 Ca 0.24 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 3k0s h SER 545 Cb 0.04 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 3k0s h SER 545 CO -0.04 0.54 -0.11 0.00 -0.53 0.00 0.00 176.83 176.69 3k0s h ALA 546 N 0.76 1.70 -0.00 6.23 0.00 -1.15 0.82 119.26 127.62 3k0s h ALA 546 Ca 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3k0s h ALA 546 Cb 0.40 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k0s h ALA 546 CO 0.01 0.14 -0.00 1.03 0.00 0.00 0.00 179.25 180.43 3k0s h SER 547 N 0.00 0.00 -0.38 0.00 0.87 -0.84 0.11 113.55 113.31 3k0s h SER 547 Ca -0.00 -0.55 0.07 0.00 -1.23 0.00 0.00 61.79 60.08 3k0s h SER 547 Cb 0.22 -0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.11 3k0s h SER 547 CO 0.01 0.55 -0.04 0.00 -0.53 0.00 0.00 176.83 176.83 3k0s h ALA 548 N 0.45 0.31 -0.74 6.23 0.00 -0.45 -1.11 119.26 123.96 3k0s h ALA 548 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3k0s h ALA 548 Cb 0.55 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3k0s h ALA 548 CO 0.00 -0.42 0.40 -0.07 0.00 0.00 0.00 179.25 179.16 3k0s h LEU 549 N 0.06 0.92 -0.10 0.00 3.38 -0.80 -0.65 115.31 118.11 3k0s h LEU 549 Ca 0.19 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3k0s h LEU 549 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3k0s h LEU 549 CO -0.35 0.76 -0.04 0.00 0.09 0.00 0.00 178.44 178.90 3k0s h ALA 550 N 1.20 0.05 -0.50 1.53 0.00 -0.55 -1.53 119.26 119.46 3k0s h ALA 550 Ca 0.26 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3k0s h ALA 550 Cb 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3k0s h ALA 550 CO -0.04 -0.50 0.07 1.49 0.00 0.00 0.00 179.25 180.27 3k0s h GLU 551 N -0.02 0.79 -0.67 0.00 4.81 -0.86 -1.61 114.58 117.02 3k0s h GLU 551 Ca 0.05 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3k0s h GLU 551 Cb 0.10 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3k0s h GLU 551 CO -0.12 0.75 0.24 -0.07 -0.73 0.00 0.00 179.01 179.08 3k0s h LEU 552 N 0.76 0.93 -0.64 1.64 3.38 -0.95 0.37 115.31 120.80 3k0s h LEU 552 Ca 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k0s h LEU 552 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3k0s h LEU 552 CO 0.01 0.86 0.41 -0.78 0.09 0.00 0.00 178.44 179.02 3k0s h ASP 553 N 0.98 0.76 0.57 -0.43 3.58 -0.65 -0.91 116.42 120.31 3k0s h ASP 553 Ca 0.22 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 3k0s h ASP 553 Cb 0.24 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.10 3k0s h ASP 553 CO -0.01 0.57 -0.27 0.58 -2.88 0.00 0.00 179.24 177.22 3k0s h VAL 554 N 0.87 0.28 -0.41 2.25 2.07 -0.65 -1.30 116.25 119.37 3k0s h VAL 554 Ca 0.23 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3k0s h VAL 554 Cb -0.06 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 3k0s h VAL 554 CO -0.05 0.04 0.13 -0.07 0.02 0.00 0.00 177.57 177.65 3k0s h LEU 555 N -1.04 0.13 -0.78 2.57 3.38 -0.97 -0.33 115.31 118.26 3k0s h LEU 555 Ca -0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k0s h LEU 555 Cb 0.65 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3k0s h LEU 555 CO 0.13 0.11 0.50 0.58 0.09 0.00 0.00 178.44 179.85 3k0s h VAL 556 N 0.29 1.21 -0.66 1.22 2.07 -1.23 -0.65 116.25 118.50 3k0s h VAL 556 Ca 0.19 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3k0s h VAL 556 Cb 0.19 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3k0s h VAL 556 CO -0.20 0.21 0.40 -1.13 0.02 0.00 0.00 177.57 176.86 3k0s h ASN 557 N 1.07 0.79 0.12 0.57 -1.24 -0.68 -1.33 115.58 114.88 3k0s h ASN 557 Ca 0.28 -0.06 -0.07 0.00 0.71 0.00 0.00 56.30 57.16 3k0s h ASN 557 Cb -0.09 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.75 3k0s h ASN 557 CO -0.06 0.62 -0.26 -0.07 -1.29 0.00 0.00 177.43 176.38 3k0s h LEU 558 N 0.90 0.23 0.55 0.34 3.38 -0.57 0.87 115.31 121.01 3k0s h LEU 558 Ca 0.24 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3k0s h LEU 558 Cb -0.03 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.67 3k0s h LEU 558 CO -0.04 0.50 -0.26 0.00 0.09 0.00 0.00 178.44 178.72 3k0s h ALA 559 N 1.53 -0.74 -0.83 1.53 0.00 -0.75 0.35 119.26 120.35 3k0s h ALA 559 Ca 0.03 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.91 3k0s h ALA 559 Cb 0.57 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.55 3k0s h ALA 559 CO 0.04 -0.83 0.40 1.49 0.00 0.00 0.00 179.25 180.35 3k0s h GLU 560 N -0.91 0.53 0.28 0.00 4.22 -0.92 -1.04 114.58 116.73 3k0s h GLU 560 Ca -0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.32 3k0s h GLU 560 Cb 0.63 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3k0s h GLU 560 CO 0.12 0.35 -0.15 0.00 -2.18 0.00 0.00 179.01 177.16 3k0s h ARG 561 N 0.55 -0.38 -0.86 1.92 2.47 -0.63 0.57 114.38 118.01 3k0s h ARG 561 Ca 0.46 0.03 0.07 0.00 -1.26 0.00 0.00 59.98 59.28 3k0s h ARG 561 Cb 0.70 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 29.05 3k0s h ARG 561 CO -0.40 -0.25 0.56 0.00 0.56 0.00 0.00 179.97 180.44 3k0s h ALA 562 N 0.32 1.57 -0.11 0.04 0.00 -0.15 0.17 119.26 121.10 3k0s h ALA 562 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3k0s h ALA 562 Cb 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3k0s h ALA 562 CO 0.05 0.30 -0.04 -0.92 0.00 0.00 0.00 179.25 178.65 3k0s h TYR 563 N 0.96 0.25 0.00 0.00 5.03 -1.00 -0.53 116.97 121.66 3k0s h TYR 563 Ca 0.37 -0.06 -0.11 0.00 2.58 0.00 0.00 58.73 61.51 3k0s h TYR 563 Cb 0.23 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 3k0s h TYR 563 CO -0.00 0.54 -0.54 1.15 -1.32 0.00 0.00 178.16 177.99 3k0s h THR 564 N -0.12 1.08 -0.30 1.81 2.02 0.22 -3.20 112.91 114.42 3k0s h THR 564 Ca 0.03 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.11 3k0s h THR 564 Cb 0.47 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3k0s h THR 564 CO 0.01 0.53 0.00 0.18 0.37 0.00 0.00 175.52 176.61 3k0s n LEU 565 N -3.45 3.29 -3.52 2.58 4.77 0.50 -5.00 117.00 116.17 3k0s n LEU 565 Ca 0.00 -2.41 -0.19 0.00 -0.03 0.00 0.00 56.01 53.38 3k0s n LEU 565 Cb 0.65 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 3k0s n LEU 565 CO 0.40 0.70 -0.08 0.59 -1.33 0.00 0.00 177.39 177.68 3k0s n ASN 566 N 0.08 -5.87 -4.98 -1.43 3.02 -1.10 -4.95 115.26 100.02 3k0s n ASN 566 Ca 0.15 -0.55 -0.20 0.00 -0.03 0.00 0.00 54.58 53.95 3k0s n ASN 566 Cb 0.61 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.96 3k0s n ASN 566 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3k0s s TYR 567 N -2.79 3.12 0.28 3.10 1.51 -0.23 -4.48 117.35 117.87 3k0s s TYR 567 Ca 0.06 -0.07 0.05 0.00 -1.01 0.00 0.00 57.07 56.10 3k0s s TYR 567 Cb -0.01 -2.16 -0.06 0.00 -0.11 0.00 0.00 41.96 39.63 3k0s s TYR 567 CO 0.85 -0.19 -0.01 -0.08 -1.11 0.00 0.00 175.55 175.01 3k0s s THR 568 N -2.34 1.37 -0.32 -0.71 -1.32 0.38 -4.83 115.64 107.87 3k0s s THR 568 Ca 0.47 -2.06 -0.17 0.00 -1.21 0.00 0.00 61.69 58.72 3k0s s THR 568 Cb -0.10 -2.53 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 3k0s s THR 568 CO 0.34 -0.22 0.47 0.00 -2.21 0.00 0.00 174.62 172.99 3k0s s PRO 570 N 2.27 2.54 0.21 0.00 0.02 -1.26 -4.72 135.00 134.05 3k0s s PRO 570 Ca 0.17 1.76 0.08 0.00 0.02 0.00 0.00 61.00 63.03 3k0s s PRO 570 Cb -0.16 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 3k0s s PRO 570 CO 0.12 -1.52 -0.01 0.95 -0.33 0.00 0.00 177.00 176.20 3k0s s THR 571 N -1.85 3.56 -0.11 0.99 -4.23 0.04 -5.02 115.64 109.02 3k0s s THR 571 Ca 0.75 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 59.62 3k0s s THR 571 Cb -0.29 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 3k0s s THR 571 CO 0.40 -0.20 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.91 3k0s s PHE 572 N -1.92 3.11 0.43 3.99 0.08 -1.26 -1.21 117.98 121.20 3k0s s PHE 572 Ca 0.28 0.03 0.07 0.00 0.12 0.00 0.00 56.93 57.43 3k0s s PHE 572 Cb -0.08 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 3k0s s PHE 572 CO 0.19 0.28 0.15 0.96 -0.10 0.00 0.00 175.22 176.70 3k0s s ILE 573 N -0.41 2.10 -0.01 0.64 -4.36 -0.47 -4.88 121.20 113.80 3k0s s ILE 573 Ca 0.07 -1.77 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 3k0s s ILE 573 Cb -0.12 -2.87 -0.24 0.00 1.25 0.00 0.00 42.46 40.48 3k0s s ILE 573 CO 0.02 0.00 0.79 0.44 0.24 0.00 0.00 174.94 176.43 3k0s h ASP 574 N 1.44 0.13 -2.20 4.36 3.32 -1.97 -3.36 116.42 118.14 3k0s h ASP 574 Ca -0.43 -0.22 -0.51 0.00 0.02 0.00 0.00 57.03 55.89 3k0s h ASP 574 Cb 1.26 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 3k0s h ASP 574 CO 0.72 1.19 -0.53 -0.54 -1.72 0.00 0.00 179.24 178.36 3k0s s LYS 575 N -2.62 2.89 0.49 3.56 -0.14 -1.26 -4.65 119.74 118.01 3k0s s LYS 575 Ca -0.06 -1.07 -0.22 0.00 -1.36 0.00 0.00 55.97 53.25 3k0s s LYS 575 Cb 0.08 -2.54 -0.08 0.00 -1.68 0.00 0.00 37.83 33.60 3k0s s LYS 575 CO 0.82 0.40 0.97 -2.30 -0.76 0.00 0.00 175.35 174.48 3k0s n PRO 576 N -1.17 1.17 0.00 -1.68 -0.02 -1.26 -4.15 135.00 127.89 3k0s n PRO 576 Ca -0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3k0s n PRO 576 Cb 0.58 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.25 2.84 2.64 -1.23 0.00 -1.26 -4.18 105.19 105.25 3k0s n GLY 577 Ca 0.11 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.73 -0.12 -0.27 -0.61 1.01 0.54 -0.04 121.20 120.00 3k0s s ILE 578 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.62 3k0s s ILE 578 Cb 0.00 -0.49 0.05 0.00 0.01 0.00 0.00 42.46 42.03 3k0s s ILE 578 CO 0.00 -0.18 -0.07 -0.13 0.00 0.00 0.00 174.94 174.56 3k0s s ARG 579 N 2.16 2.45 -0.11 2.79 0.52 0.11 -0.73 118.95 126.16 3k0s s ARG 579 Ca 0.03 -1.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.05 3k0s s ARG 579 Cb -0.15 -2.98 -0.00 0.00 0.52 0.00 0.00 34.95 32.33 3k0s s ARG 579 CO -0.08 -0.53 -0.22 0.42 0.02 0.00 0.00 175.30 174.90 3k0s s ILE 580 N 1.20 2.22 -0.26 1.52 1.01 -0.06 -1.72 121.20 125.12 3k0s s ILE 580 Ca -0.05 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 3k0s s ILE 580 Cb -0.19 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 3k0s s ILE 580 CO -0.04 0.55 0.08 -0.89 0.00 0.00 0.00 174.94 174.64 3k0s s THR 581 N 0.37 4.26 -1.13 2.92 2.01 -0.10 -1.12 115.64 122.85 3k0s s THR 581 Ca -0.17 -0.28 -0.19 0.00 0.31 0.00 0.00 61.69 61.36 3k0s s THR 581 Cb -0.18 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 3k0s s THR 581 CO 0.08 0.28 0.80 -0.62 -0.69 0.00 0.00 174.62 174.47 3k0s n GLU 582 N 4.92 -1.41 -2.65 4.92 -0.58 -1.20 -0.86 120.64 123.78 3k0s n GLU 582 Ca -0.16 0.50 -0.31 0.00 -0.42 0.00 0.00 57.16 56.77 3k0s n GLU 582 Cb 0.51 -4.31 -0.03 0.00 -0.57 0.00 0.00 31.44 27.03 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 -3.48 2.00 0.20 0.62 0.00 0.79 -3.42 107.32 104.03 3k0s s GLY 583 Ca 0.46 -0.03 0.03 0.00 0.00 0.00 0.00 44.72 45.18 3k0s s GLY 583 CO 0.85 0.20 0.00 0.50 0.00 0.00 0.00 173.10 174.65 3k0s s ARG 584 N -3.94 1.22 -0.30 2.90 0.52 -0.46 -1.33 118.95 117.55 3k0s s ARG 584 Ca 0.55 -1.60 -0.27 0.00 -0.52 0.00 0.00 55.73 53.89 3k0s s ARG 584 Cb -0.10 -0.42 0.01 0.00 0.52 0.00 0.00 34.95 34.95 3k0s s ARG 584 CO 0.31 -0.12 0.96 -1.58 0.02 0.00 0.00 175.30 174.89 3k0s s HIS 585 N -3.55 3.19 0.42 -0.53 5.65 -1.26 -4.79 115.29 114.41 3k0s s HIS 585 Ca 0.26 1.07 0.19 0.00 0.25 0.00 0.00 55.06 56.84 3k0s s HIS 585 Cb 0.06 -3.45 1.12 0.00 -1.18 0.00 0.00 32.58 29.13 3k0s s HIS 585 CO 0.06 -0.65 1.82 -1.35 -0.65 0.00 0.00 174.74 173.97 3k0s h PRO 586 N 8.03 0.36 0.00 2.88 0.11 -1.93 -2.54 132.00 138.91 3k0s h PRO 586 Ca -0.22 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.61 3k0s h PRO 586 Cb 1.07 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 3k0s h PRO 586 CO 0.97 0.24 -1.52 0.28 -0.21 0.00 0.00 178.00 177.76 3k0s n VAL 587 N -4.54 1.52 -0.21 3.15 0.31 -1.26 -4.22 118.33 113.09 3k0s n VAL 587 Ca 0.22 -0.09 0.02 0.00 -0.01 0.00 0.00 64.34 64.48 3k0s n VAL 587 Cb 0.81 -2.05 0.12 0.00 -0.91 0.00 0.00 33.84 31.81 3k0s n VAL 587 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3k0s h VAL 588 N -1.00 0.57 0.00 2.52 2.07 -1.96 0.13 116.25 118.58 3k0s h VAL 588 Ca -0.39 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3k0s h VAL 588 Cb 1.29 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3k0s h VAL 588 CO -0.24 0.04 -0.02 1.05 0.02 0.00 0.00 177.57 178.42 3k0s h GLU 589 N 0.22 0.00 0.11 1.57 4.11 -1.67 -1.60 114.58 117.32 3k0s h GLU 589 Ca 0.34 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.41 3k0s h GLU 589 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3k0s h GLU 589 CO -0.46 0.02 -2.01 1.04 0.07 0.00 0.00 179.01 177.67 3k0s n GLN 590 N -4.20 0.74 0.08 1.06 1.13 -0.22 -4.55 117.38 111.42 3k0s n GLN 590 Ca -0.03 0.27 -0.19 0.00 -1.94 0.00 0.00 57.00 55.11 3k0s n GLN 590 Cb 0.10 -1.69 -0.11 0.00 0.11 0.00 0.00 30.24 28.65 3k0s n GLN 590 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 3k0s h VAL 591 N -0.00 1.33 -3.34 5.09 -1.51 -0.61 -3.44 116.25 113.78 3k0s h VAL 591 Ca -0.44 -2.49 -0.58 0.00 -1.23 0.00 0.00 66.70 61.97 3k0s h VAL 591 Cb 1.98 2.61 -0.08 0.00 -2.13 0.00 0.00 31.29 33.67 3k0s h VAL 591 CO 0.05 0.75 -0.13 -0.76 -1.23 0.00 0.00 177.57 176.26 3k0s s LEU 592 N -7.79 4.27 -0.10 4.19 1.43 -0.62 -4.97 118.68 115.08 3k0s s LEU 592 Ca -0.08 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 3k0s s LEU 592 Cb 0.07 -2.70 0.16 0.00 0.03 0.00 0.00 46.19 43.75 3k0s s LEU 592 CO 0.91 -0.01 1.17 0.59 0.23 0.00 0.00 176.35 179.24 3k0s n ASN 593 N 3.76 3.07 -4.92 2.29 3.02 -1.26 -4.79 115.26 116.43 3k0s n ASN 593 Ca -0.07 -2.36 -0.25 0.00 -0.03 0.00 0.00 54.58 51.87 3k0s n ASN 593 Cb 0.51 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 3k0s n ASN 593 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3k0s s GLU 594 N -0.83 3.32 0.22 3.52 2.02 -1.26 -5.07 118.70 120.62 3k0s s GLU 594 Ca 0.13 -0.69 -0.32 0.00 0.02 0.00 0.00 54.97 54.11 3k0s s GLU 594 Cb 0.11 -2.88 -0.12 0.00 0.10 0.00 0.00 34.13 31.33 3k0s s GLU 594 CO 0.03 0.50 1.65 -2.30 0.02 0.00 0.00 175.26 175.16 3k0s n PRO 595 N -0.66 2.59 -3.28 0.39 -0.02 -1.26 -4.98 135.00 127.78 3k0s n PRO 595 Ca -0.08 0.93 -0.38 0.00 -2.02 0.00 0.00 63.50 61.95 3k0s n PRO 595 Cb 0.55 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.23 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 0.83 3.54 -0.28 6.00 2.19 -1.26 -5.05 117.98 123.94 3k0s s PHE 596 Ca 0.73 0.96 -0.18 0.00 0.33 0.00 0.00 56.93 58.77 3k0s s PHE 596 Cb -0.55 -2.58 -0.02 0.00 -1.31 0.00 0.00 43.02 38.56 3k0s s PHE 596 CO 0.37 0.18 0.53 0.42 1.83 0.00 0.00 175.22 178.56 3k0s s ILE 597 N 0.55 5.04 0.57 3.12 -1.09 -1.26 -5.06 121.20 123.07 3k0s s ILE 597 Ca 0.28 0.80 -0.13 0.00 -2.23 0.00 0.00 60.65 59.37 3k0s s ILE 597 Cb -0.16 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 3k0s s ILE 597 CO 0.12 0.01 0.99 0.00 -1.23 0.00 0.00 174.94 174.83 3k0s s ALA 598 N 2.37 3.11 0.01 9.38 0.00 -1.26 -4.91 121.76 130.46 3k0s s ALA 598 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 3k0s s ALA 598 Cb -0.15 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 3k0s s ALA 598 CO 0.10 -0.48 0.03 -0.80 0.00 0.00 0.00 175.76 174.61 3k0s s ASN 599 N -3.74 0.12 0.75 0.00 0.01 -0.44 -4.82 114.94 106.82 3k0s s ASN 599 Ca 0.56 -0.30 -0.11 0.00 -0.71 0.00 0.00 52.86 52.30 3k0s s ASN 599 Cb -0.11 0.13 0.06 0.00 0.41 0.00 0.00 41.25 41.74 3k0s s ASN 599 CO 0.44 -0.27 1.12 -2.16 -1.51 0.00 0.00 177.10 174.72 3k0s s PRO 600 N -1.16 2.29 -0.20 -0.60 0.04 -1.26 -0.15 135.00 133.97 3k0s s PRO 600 Ca -0.13 0.14 -0.20 0.00 0.04 0.00 0.00 61.00 60.86 3k0s s PRO 600 Cb -0.08 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.50 3k0s s PRO 600 CO -0.00 -1.34 0.56 -1.17 0.04 0.00 0.00 177.00 175.09 3k0s s LEU 601 N -5.44 -0.15 -0.30 -3.56 2.96 -0.27 -4.93 118.68 106.99 3k0s s LEU 601 Ca 0.60 1.10 -0.03 0.00 -0.22 0.00 0.00 54.13 55.58 3k0s s LEU 601 Cb -0.11 1.94 0.10 0.00 0.50 0.00 0.00 46.19 48.63 3k0s s LEU 601 CO 0.49 -0.22 0.13 0.21 -1.32 0.00 0.00 176.35 175.64 3k0s s ASN 602 N 0.21 3.67 -0.05 3.68 2.47 -1.26 -0.88 114.94 122.78 3k0s s ASN 602 Ca -0.01 -1.45 0.05 0.00 0.42 0.00 0.00 52.86 51.87 3k0s s ASN 602 Cb -0.04 -0.52 -0.02 0.00 -1.45 0.00 0.00 41.25 39.23 3k0s s ASN 602 CO 0.01 -0.42 -0.20 -0.76 -3.72 0.00 0.00 177.10 172.01 3k0s s LEU 603 N 1.89 2.40 0.32 3.21 1.43 0.10 -4.91 118.68 123.12 3k0s s LEU 603 Ca 0.10 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3k0s s LEU 603 Cb -0.17 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.61 3k0s s LEU 603 CO -0.31 0.29 0.59 -0.94 0.23 0.00 0.00 176.35 176.21 3k0s s SER 604 N -0.44 0.27 0.52 2.29 1.04 -0.87 -0.34 113.70 116.18 3k0s s SER 604 Ca 0.05 -1.16 0.35 0.00 0.48 0.00 0.00 55.95 55.67 3k0s s SER 604 Cb -0.12 0.71 1.78 0.00 0.10 0.00 0.00 66.02 68.49 3k0s s SER 604 CO 0.01 -1.38 2.06 -0.65 0.98 0.00 0.00 173.24 174.27 3k0s h PRO 605 N 2.10 0.00 0.00 4.02 0.11 -1.97 -1.76 132.00 134.50 3k0s h PRO 605 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3k0s h PRO 605 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k0s h PRO 605 CO 0.37 0.00 -0.80 1.04 -0.21 0.00 0.00 178.00 178.40 3k0s n GLN 606 N -2.79 0.02 -3.16 1.05 3.00 -1.26 -4.46 117.38 109.77 3k0s n GLN 606 Ca -0.01 -0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.75 3k0s n GLN 606 Cb 0.12 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.80 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 -1.53 0.63 0.06 -1.09 0.63 -0.71 -4.01 116.66 110.64 3k0s n ARG 607 Ca 0.04 -3.00 -0.13 0.00 -0.92 0.00 0.00 57.85 53.84 3k0s n ARG 607 Cb 0.34 -1.32 -0.14 0.00 0.45 0.00 0.00 32.46 31.79 3k0s n ARG 607 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3k0s h ARG 608 N 4.29 0.16 -4.27 -0.14 3.08 -0.40 -2.30 114.38 114.80 3k0s h ARG 608 Ca 0.08 -0.28 -0.46 0.00 0.07 0.00 0.00 59.98 59.39 3k0s h ARG 608 Cb 0.91 0.10 -0.34 0.00 0.08 0.00 0.00 29.97 30.72 3k0s h ARG 608 CO 0.42 1.01 -0.79 1.41 -1.07 0.00 0.00 179.97 180.95 3k0s s MET 609 N -2.64 1.25 -0.22 0.04 0.00 -0.78 -0.56 119.30 116.38 3k0s s MET 609 Ca -0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 55.69 55.31 3k0s s MET 609 Cb 0.08 -1.12 -0.03 0.00 0.00 0.00 0.00 34.83 33.76 3k0s s MET 609 CO 0.84 -0.03 0.07 -0.51 0.00 0.00 0.00 175.02 175.39 3k0s s LEU 610 N 0.81 3.60 -0.13 4.11 1.43 -0.56 -1.55 118.68 126.39 3k0s s LEU 610 Ca -0.12 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.61 3k0s s LEU 610 Cb -0.15 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3k0s s LEU 610 CO 0.02 0.05 0.90 -0.63 0.23 0.00 0.00 176.35 176.92 3k0s s ILE 611 N 1.14 4.85 -0.30 -0.59 -1.09 0.15 -0.98 121.20 124.38 3k0s s ILE 611 Ca 0.04 1.81 0.01 0.00 -2.23 0.00 0.00 60.65 60.28 3k0s s ILE 611 Cb -0.14 -4.21 0.07 0.00 -1.58 0.00 0.00 42.46 36.59 3k0s s ILE 611 CO 0.03 0.03 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.14 3k0s s ILE 612 N 1.98 2.62 0.54 2.92 1.01 -0.71 -1.13 121.20 128.42 3k0s s ILE 612 Ca 0.43 -1.70 0.07 0.00 0.00 0.00 0.00 60.65 59.45 3k0s s ILE 612 Cb -0.17 -2.62 0.07 0.00 0.01 0.00 0.00 42.46 39.75 3k0s s ILE 612 CO 0.15 -0.22 0.59 0.35 0.00 0.00 0.00 174.94 175.82 3k0s n THR 613 N 4.49 0.00 0.00 2.92 -2.24 -0.85 -1.82 114.28 116.79 3k0s n THR 613 Ca -0.10 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 59.74 3k0s n THR 613 Cb 0.42 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3k0s n THR 613 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k0s n GLY 614 N -1.52 0.51 3.70 3.38 0.00 -1.26 -1.87 105.19 108.13 3k0s n GLY 614 Ca 0.08 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 3k0s n GLY 614 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k0s n PRO 615 N 0.07 1.92 -3.78 1.61 -0.02 -1.26 -4.86 135.00 128.68 3k0s n PRO 615 Ca 0.00 0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 3k0s n PRO 615 Cb 0.00 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.02 3k0s n PRO 615 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3k0s s ASN 616 N -0.52 5.30 -0.35 2.55 2.47 -1.26 -4.55 114.94 118.58 3k0s s ASN 616 Ca 0.60 -3.67 0.07 0.00 0.42 0.00 0.00 52.86 50.29 3k0s s ASN 616 Cb -0.52 -1.77 0.59 0.00 -1.45 0.00 0.00 41.25 38.11 3k0s s ASN 616 CO 0.58 -0.16 1.68 0.23 -3.72 0.00 0.00 177.10 175.71 3k0s n MET 617 N 2.31 2.21 0.00 0.43 2.81 -1.26 -4.85 117.12 118.78 3k0s n MET 617 Ca 0.18 -3.10 0.00 0.00 -1.81 0.00 0.00 57.70 52.98 3k0s n MET 617 Cb 0.36 -2.00 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 3k0s n MET 617 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k0s n GLY 618 N -1.03 1.47 0.32 3.03 0.00 -1.26 -4.98 105.19 102.74 3k0s n GLY 618 Ca 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.39 3k0s n GLY 618 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k0s h GLY 619 N 0.00 1.21 0.69 -0.02 0.00 -1.88 -0.28 103.07 102.79 3k0s h GLY 619 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 3k0s h GLY 619 CO 0.00 0.67 -0.09 0.50 0.00 0.00 0.00 176.54 177.63 3k0s h LYS 620 N 1.07 0.25 -0.10 4.80 1.57 -1.93 -1.86 116.57 120.38 3k0s h LYS 620 Ca 0.23 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3k0s h LYS 620 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3k0s h LYS 620 CO -0.01 0.64 -0.02 0.77 -0.57 0.00 0.00 179.45 180.27 3k0s h SER 621 N -0.13 -0.08 -0.26 0.86 0.02 -1.95 -0.28 113.55 111.73 3k0s h SER 621 Ca 0.02 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3k0s h SER 621 Cb 0.58 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 3k0s h SER 621 CO 0.02 -0.03 0.01 0.74 -1.14 0.00 0.00 176.83 176.43 3k0s h THR 622 N 0.01 0.82 -0.99 -2.27 2.02 -1.10 0.17 112.91 111.57 3k0s h THR 622 Ca 0.05 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.24 3k0s h THR 622 Cb 0.07 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 3k0s h THR 622 CO -0.10 0.02 0.65 0.22 0.37 0.00 0.00 175.52 176.67 3k0s h TYR 623 N 0.09 1.21 -0.21 3.16 3.20 -0.97 0.14 116.97 123.59 3k0s h TYR 623 Ca 0.12 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 3k0s h TYR 623 Cb 0.16 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 3k0s h TYR 623 CO -0.20 0.69 -0.26 0.52 -1.64 0.00 0.00 178.16 177.27 3k0s h MET 624 N 1.24 0.55 -0.51 1.82 2.86 -0.57 -3.01 114.93 117.31 3k0s h MET 624 Ca 0.40 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 3k0s h MET 624 Cb 0.03 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3k0s h MET 624 CO -0.13 0.90 -0.11 0.00 1.06 0.00 0.00 176.91 178.63 3k0s h ARG 625 N 0.23 0.98 -0.12 1.72 3.08 -0.20 -2.57 114.38 117.50 3k0s h ARG 625 Ca 0.03 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 3k0s h ARG 625 Cb 0.82 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3k0s h ARG 625 CO 0.06 1.04 0.01 -0.56 -1.07 0.00 0.00 179.97 179.45 3k0s h GLN 626 N 0.85 0.16 -0.10 0.04 3.07 -0.81 0.34 115.11 118.66 3k0s h GLN 626 Ca 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.85 3k0s h GLN 626 Cb 0.67 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.19 3k0s h GLN 626 CO 0.05 0.18 0.04 1.15 0.09 0.00 0.00 178.83 180.34 3k0s h THR 627 N 0.16 1.14 -0.29 1.86 2.02 -1.32 -0.21 112.91 116.28 3k0s h THR 627 Ca 0.04 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.82 3k0s h THR 627 Cb 0.10 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3k0s h THR 627 CO 0.00 0.13 0.09 0.00 0.37 0.00 0.00 175.52 176.11 3k0s h ALA 628 N 0.88 0.32 -0.56 6.16 0.00 -1.06 -1.66 119.26 123.35 3k0s h ALA 628 Ca 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3k0s h ALA 628 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3k0s h ALA 628 CO -0.00 -0.31 0.21 -0.07 0.00 0.00 0.00 179.25 179.08 3k0s h LEU 629 N 0.21 0.77 -0.54 0.00 3.38 -0.84 0.12 115.31 118.43 3k0s h LEU 629 Ca 0.13 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3k0s h LEU 629 Cb 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3k0s h LEU 629 CO -0.14 0.74 0.33 0.40 0.09 0.00 0.00 178.44 179.86 3k0s h ILE 630 N 0.76 1.08 -0.22 1.22 2.04 -0.95 0.17 117.51 121.61 3k0s h ILE 630 Ca 0.18 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3k0s h ILE 630 Cb 0.21 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3k0s h ILE 630 CO -0.01 0.12 0.10 0.00 0.00 0.00 0.00 178.15 178.36 3k0s h ALA 631 N 1.23 0.26 0.13 1.87 0.00 -0.80 -0.56 119.26 121.39 3k0s h ALA 631 Ca 0.21 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3k0s h ALA 631 Cb -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3k0s h ALA 631 CO -0.08 -0.31 -0.24 1.25 0.00 0.00 0.00 179.25 179.87 3k0s h LEU 632 N 0.23 -0.68 -0.33 0.00 6.46 -0.30 -1.65 115.31 119.04 3k0s h LEU 632 Ca 0.09 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.96 3k0s h LEU 632 Cb 0.03 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 3k0s h LEU 632 CO -0.07 -0.33 0.12 0.24 -0.62 0.00 0.00 178.44 177.78 3k0s h MET 633 N -0.45 0.26 -0.87 1.25 2.86 -0.57 -0.17 114.93 117.24 3k0s h MET 633 Ca 0.03 -0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.83 3k0s h MET 633 Cb 0.47 -0.06 -0.11 0.00 0.06 0.00 0.00 31.60 31.96 3k0s h MET 633 CO -0.13 0.17 0.41 0.00 1.06 0.00 0.00 176.91 178.42 3k0s h ALA 634 N 1.20 1.35 -0.30 6.32 0.00 -0.90 -2.04 119.26 124.89 3k0s h ALA 634 Ca 0.15 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3k0s h ALA 634 Cb 0.11 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3k0s h ALA 634 CO -0.14 -0.22 0.00 0.66 0.00 0.00 0.00 179.25 179.55 3k0s n TYR 635 N -4.96 0.40 0.01 0.00 4.01 -0.16 -2.02 117.16 114.44 3k0s n TYR 635 Ca 0.19 -0.20 0.06 0.00 -0.16 0.00 0.00 57.90 57.79 3k0s n TYR 635 Cb 0.54 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.71 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 0.46 0.72 -0.76 -0.72 -5.35 -0.70 -1.12 119.36 111.89 3k0s n ILE 636 Ca 0.13 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 3k0s n ILE 636 Cb 0.30 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 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 0.65 0.71 3.85 3.28 0.00 -0.86 -4.99 105.19 107.84 3k0s n GLY 637 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.35 5.37 0.77 1.61 0.15 -0.85 -3.73 113.70 114.67 3k0s s SER 638 Ca 0.00 1.30 -0.11 0.00 0.70 0.00 0.00 55.95 57.84 3k0s s SER 638 Cb 0.00 -2.15 0.05 0.00 -1.71 0.00 0.00 66.02 62.21 3k0s s SER 638 CO 0.00 -1.41 1.09 -0.31 1.20 0.00 0.00 173.24 173.81 3k0s s TYR 639 N -3.23 2.94 0.15 3.44 1.51 -1.26 -4.34 117.35 116.56 3k0s s TYR 639 Ca 0.58 1.20 0.06 0.00 -1.01 0.00 0.00 57.07 57.91 3k0s s TYR 639 Cb -0.12 -3.06 -0.04 0.00 -0.11 0.00 0.00 41.96 38.63 3k0s s TYR 639 CO 0.53 -1.59 -0.14 0.14 -1.11 0.00 0.00 175.55 173.38 3k0s s VAL 640 N -3.15 1.42 -1.05 0.71 -7.23 0.14 -4.80 120.40 106.45 3k0s s VAL 640 Ca 0.60 -1.89 -0.21 0.00 -1.81 0.00 0.00 61.98 58.67 3k0s s VAL 640 Cb -0.14 -1.72 0.08 0.00 0.56 0.00 0.00 36.38 35.17 3k0s s VAL 640 CO 0.54 -0.50 1.40 -2.16 -0.31 0.00 0.00 175.10 174.07 3k0s s PRO 641 N -3.06 3.68 0.14 4.82 0.04 -1.26 -0.47 135.00 138.89 3k0s s PRO 641 Ca 0.14 -1.51 -0.25 0.00 0.04 0.00 0.00 61.00 59.41 3k0s s PRO 641 Cb -0.03 -5.25 0.07 0.00 0.04 0.00 0.00 34.50 29.34 3k0s s PRO 641 CO 0.04 -2.07 1.01 0.00 0.04 0.00 0.00 177.00 176.01 3k0s s ALA 642 N 4.04 -1.71 -0.22 8.56 0.00 -1.26 -1.36 121.76 129.81 3k0s s ALA 642 Ca 0.43 0.13 0.19 0.00 0.00 0.00 0.00 51.96 52.71 3k0s s ALA 642 Cb -0.01 0.62 0.06 0.00 0.00 0.00 0.00 23.12 23.79 3k0s s ALA 642 CO -0.07 -1.05 1.25 1.96 0.00 0.00 0.00 175.76 177.85 3k0s h GLN 643 N 2.00 0.00 -1.74 0.00 1.08 -1.02 -3.33 115.11 112.09 3k0s h GLN 643 Ca -0.25 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.98 3k0s h GLN 643 Cb 1.23 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 28.41 3k0s h GLN 643 CO 0.27 0.24 0.32 0.21 -0.95 0.00 0.00 178.83 178.93 3k0s s LYS 644 N -3.09 0.61 -0.07 1.46 2.20 -1.21 -4.95 119.74 114.70 3k0s s LYS 644 Ca 0.02 0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 56.36 3k0s s LYS 644 Cb 0.08 0.28 0.04 0.00 -1.51 0.00 0.00 37.83 36.72 3k0s s LYS 644 CO 0.75 -0.08 0.13 0.08 -0.36 0.00 0.00 175.35 175.88 3k0s s VAL 645 N 0.41 -0.18 -0.07 4.02 1.01 -1.26 -0.92 120.40 123.41 3k0s s VAL 645 Ca 0.01 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3k0s s VAL 645 Cb -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 3k0s s VAL 645 CO -0.05 0.14 -0.08 -1.61 0.00 0.00 0.00 175.10 173.50 3k0s s GLU 646 N 2.00 2.78 -0.12 2.72 2.02 -0.70 -0.78 118.70 126.62 3k0s s GLU 646 Ca 0.01 -0.57 -0.10 0.00 0.02 0.00 0.00 54.97 54.32 3k0s s GLU 646 Cb -0.12 -2.58 0.03 0.00 0.10 0.00 0.00 34.13 31.57 3k0s s GLU 646 CO -0.05 0.62 0.31 -1.50 0.02 0.00 0.00 175.26 174.66 3k0s s ILE 647 N -0.70 -0.01 0.44 -1.63 2.07 -0.35 -0.71 121.20 120.32 3k0s s ILE 647 Ca 0.11 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.37 3k0s s ILE 647 Cb -0.11 -0.45 0.09 0.00 0.13 0.00 0.00 42.46 42.12 3k0s s ILE 647 CO 0.01 0.01 0.61 0.61 -1.91 0.00 0.00 174.94 174.27 3k0s n GLY 648 N 3.17 0.66 3.77 1.50 0.00 0.95 -1.37 105.19 113.86 3k0s n GLY 648 Ca -0.15 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 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 -4.04 4.40 -0.11 1.61 0.02 -1.26 -4.77 135.00 130.85 3k0s s PRO 649 Ca 0.40 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3k0s s PRO 649 Cb -0.02 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.44 3k0s s PRO 649 CO 0.27 -0.11 -0.09 0.42 -0.33 0.00 0.00 177.00 177.15 3k0s s ILE 650 N -1.16 1.12 -0.20 2.83 1.01 -1.26 -4.65 121.20 118.90 3k0s s ILE 650 Ca 0.48 -0.37 0.21 0.00 0.00 0.00 0.00 60.65 60.97 3k0s s ILE 650 Cb -0.38 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3k0s s ILE 650 CO 0.50 0.38 0.98 -2.24 0.00 0.00 0.00 174.94 174.56 3k0s h ASP 651 N 7.95 0.00 -3.97 3.58 2.03 -1.26 -3.43 116.42 121.33 3k0s h ASP 651 Ca -0.31 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 56.08 3k0s h ASP 651 Cb 1.14 0.00 -0.24 0.00 -0.83 0.00 0.00 39.33 39.41 3k0s h ASP 651 CO 0.44 0.18 0.57 -0.60 -1.03 0.00 0.00 179.24 178.80 3k0s s ARG 652 N -3.22 0.55 -0.13 4.15 3.52 -1.26 -2.51 118.95 120.05 3k0s s ARG 652 Ca -0.01 0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.78 3k0s s ARG 652 Cb 0.09 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.75 3k0s s ARG 652 CO 0.80 -0.16 -0.20 0.42 -0.81 0.00 0.00 175.30 175.35 3k0s s ILE 653 N -0.99 1.86 -0.05 4.11 1.01 -1.03 -1.58 121.20 124.53 3k0s s ILE 653 Ca -0.01 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.83 3k0s s ILE 653 Cb -0.01 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3k0s s ILE 653 CO 0.00 0.51 -0.17 -0.36 0.00 0.00 0.00 174.94 174.93 3k0s s PHE 654 N 0.85 2.63 0.06 3.97 0.40 -0.18 -4.56 117.98 121.15 3k0s s PHE 654 Ca -0.08 -0.23 0.08 0.00 -0.60 0.00 0.00 56.93 56.11 3k0s s PHE 654 Cb -0.15 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 3k0s s PHE 654 CO -0.01 0.13 -0.23 0.95 0.70 0.00 0.00 175.22 176.76 3k0s s THR 655 N -0.68 1.85 -0.53 0.64 -4.23 -1.26 -1.39 115.64 110.05 3k0s s THR 655 Ca 0.10 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.31 3k0s s THR 655 Cb -0.11 -1.62 0.22 0.00 1.34 0.00 0.00 72.50 72.33 3k0s s THR 655 CO 0.00 0.19 0.55 -1.14 -0.54 0.00 0.00 174.62 173.68 3k0s n ARG 656 N 1.61 1.36 -4.46 3.99 3.00 0.56 -4.60 116.66 118.11 3k0s n ARG 656 Ca -0.18 -3.88 -0.20 0.00 -0.00 0.00 0.00 57.85 53.59 3k0s n ARG 656 Cb 0.53 -1.82 -0.15 0.00 0.00 0.00 0.00 32.46 31.02 3k0s n ARG 656 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3k0s s VAL 657 N -1.37 0.85 -0.41 5.15 -7.23 -1.26 -0.62 120.40 115.51 3k0s s VAL 657 Ca 0.34 -0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 60.04 3k0s s VAL 657 Cb 0.10 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.31 3k0s s VAL 657 CO -0.11 0.24 0.37 0.61 -0.31 0.00 0.00 175.10 175.90 3k0s n GLY 658 N 2.80 -0.52 0.37 2.32 0.00 -1.26 -4.99 105.19 103.91 3k0s n GLY 658 Ca -0.14 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 3k0s n GLY 658 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k0s n SER 668 N -1.70 0.05 -0.15 1.61 2.88 -1.26 -5.09 113.62 109.97 3k0s n SER 668 Ca -0.01 0.12 -0.04 0.00 -1.33 0.00 0.00 58.87 57.61 3k0s n SER 668 Cb 0.52 -0.09 0.03 0.00 -0.75 0.00 0.00 64.21 63.91 3k0s n SER 668 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3k0s h THR 669 N 0.40 0.47 -0.77 2.46 2.02 -1.99 0.14 112.91 115.63 3k0s h THR 669 Ca -0.05 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3k0s h THR 669 Cb 0.14 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 3k0s h THR 669 CO 0.08 0.00 0.48 0.15 0.37 0.00 0.00 175.52 176.60 3k0s h PHE 670 N -0.05 0.89 -0.96 3.16 3.57 -1.89 0.20 116.94 121.87 3k0s h PHE 670 Ca 0.22 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3k0s h PHE 670 Cb 0.39 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 3k0s h PHE 670 CO -0.43 0.50 0.63 1.98 -2.23 0.00 0.00 178.31 178.76 3k0s h MET 671 N 0.92 1.27 0.02 1.11 4.05 -1.29 -0.54 114.93 120.48 3k0s h MET 671 Ca 0.31 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 3k0s h MET 671 Cb 0.05 -0.28 0.00 0.00 -0.80 0.00 0.00 31.60 30.57 3k0s h MET 671 CO -0.13 0.84 -0.01 0.28 0.23 0.00 0.00 176.91 178.13 3k0s h VAL 672 N 1.31 1.26 -0.83 -5.77 2.07 0.31 -0.67 116.25 113.94 3k0s h VAL 672 Ca 0.35 -0.90 0.10 0.00 0.82 0.00 0.00 66.70 67.06 3k0s h VAL 672 Cb -0.14 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 3k0s h VAL 672 CO -0.08 0.23 0.54 -0.33 0.02 0.00 0.00 177.57 177.95 3k0s h GLU 673 N -0.43 0.76 0.01 1.57 5.08 -0.79 0.80 114.58 121.58 3k0s h GLU 673 Ca -0.00 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 3k0s h GLU 673 Cb 0.40 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3k0s h GLU 673 CO 0.01 0.50 -0.87 0.52 -1.00 0.00 0.00 179.01 178.17 3k0s h MET 674 N 0.78 0.12 -0.41 2.33 2.86 -1.01 0.27 114.93 119.87 3k0s h MET 674 Ca 0.38 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.82 3k0s h MET 674 Cb 0.43 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3k0s h MET 674 CO -0.15 0.91 0.01 1.15 1.06 0.00 0.00 176.91 179.89 3k0s h THR 675 N 0.06 1.26 -0.26 2.22 2.02 0.06 0.23 112.91 118.50 3k0s h THR 675 Ca -0.03 -0.99 -0.11 0.00 0.77 0.00 0.00 66.41 66.04 3k0s h THR 675 Cb 1.51 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3k0s h THR 675 CO 0.13 0.34 -0.31 -0.33 0.37 0.00 0.00 175.52 175.71 3k0s h GLU 676 N 0.55 0.55 -0.61 6.66 5.08 -0.87 -2.54 114.58 123.40 3k0s h GLU 676 Ca 0.12 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3k0s h GLU 676 Cb 0.46 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3k0s h GLU 676 CO 0.02 0.80 0.23 1.15 -1.00 0.00 0.00 179.01 180.21 3k0s h THR 677 N 0.47 1.23 -0.67 1.13 2.02 -0.63 -2.53 112.91 113.94 3k0s h THR 677 Ca 0.06 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.54 3k0s h THR 677 Cb 0.78 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 3k0s h THR 677 CO 0.06 0.29 0.40 0.00 0.37 0.00 0.00 175.52 176.64 3k0s h ALA 678 N 1.09 0.88 -0.62 6.16 0.00 -0.35 -1.50 119.26 124.92 3k0s h ALA 678 Ca 0.20 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3k0s h ALA 678 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3k0s h ALA 678 CO -0.01 0.12 0.10 -0.97 0.00 0.00 0.00 179.25 178.48 3k0s h ASN 679 N 0.76 0.96 -0.53 0.00 -1.24 -1.22 0.38 115.58 114.68 3k0s h ASN 679 Ca 0.28 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 3k0s h ASN 679 Cb 0.09 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 3k0s h ASN 679 CO -0.14 0.96 0.31 0.40 -1.29 0.00 0.00 177.43 177.68 3k0s h ILE 680 N 0.95 1.17 0.00 2.57 2.04 -1.03 -1.62 117.51 121.58 3k0s h ILE 680 Ca 0.19 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 3k0s h ILE 680 Cb 0.41 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3k0s h ILE 680 CO 0.01 0.17 -0.49 -0.07 0.00 0.00 0.00 178.15 177.77 3k0s h LEU 681 N 0.72 0.00 0.00 1.44 3.38 -0.70 -0.21 115.31 119.94 3k0s h LEU 681 Ca 0.19 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3k0s h LEU 681 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3k0s h LEU 681 CO -0.03 0.49 -0.60 0.45 0.09 0.00 0.00 178.44 178.83 3k0s h HIS 682 N 0.00 0.00 0.00 1.13 3.86 -0.79 -3.41 115.15 115.94 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 0.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.46 3k0s h HIS 682 CO 0.00 0.39 -0.12 0.09 0.86 0.00 0.00 177.93 179.15 3k0s n ASN 683 N -3.11 0.58 -4.79 2.45 3.02 -0.62 -5.04 115.26 107.75 3k0s n ASN 683 Ca 0.00 -0.32 -0.34 0.00 -0.03 0.00 0.00 54.58 53.89 3k0s n ASN 683 Cb 0.70 0.76 -0.03 0.00 -0.61 0.00 0.00 39.78 40.61 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 -0.88 2.85 0.19 5.41 0.00 -0.11 -5.05 121.76 124.17 3k0s s ALA 684 Ca 0.00 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.63 3k0s s ALA 684 Cb 0.00 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 3k0s s ALA 684 CO 0.00 -0.40 0.04 0.25 0.00 0.00 0.00 175.76 175.65 3k0s n THR 685 N -0.98 0.00 1.17 0.00 -2.24 -1.26 -4.96 114.28 106.01 3k0s n THR 685 Ca 0.10 -1.02 0.10 0.00 -2.27 0.00 0.00 64.05 60.95 3k0s n THR 685 Cb 0.52 0.31 0.57 0.00 -2.10 0.00 0.00 70.33 69.63 3k0s n THR 685 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3k0s n GLU 686 N -0.45 0.52 -0.24 -0.78 0.28 -1.18 -1.81 120.64 116.98 3k0s n GLU 686 Ca -0.05 0.04 0.08 0.00 -0.16 0.00 0.00 57.16 57.07 3k0s n GLU 686 Cb 0.27 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 31.85 3k0s n GLU 686 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3k0s n TYR 687 N -1.10 0.63 -3.48 -1.84 4.01 -1.26 -4.58 117.16 109.53 3k0s n TYR 687 Ca 0.13 -0.47 -0.31 0.00 -0.16 0.00 0.00 57.90 57.09 3k0s n TYR 687 Cb 0.10 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 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 -1.02 6.55 -0.27 7.72 0.01 -0.75 -0.66 113.70 125.28 3k0s s SER 688 Ca 0.32 0.77 -0.07 0.00 1.31 0.00 0.00 55.95 58.28 3k0s s SER 688 Cb 0.17 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 3k0s s SER 688 CO 0.22 -0.06 0.07 -0.22 0.41 0.00 0.00 173.24 173.67 3k0s s LEU 689 N -2.92 3.61 -0.19 2.44 2.96 -0.61 -1.72 118.68 122.24 3k0s s LEU 689 Ca 0.45 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3k0s s LEU 689 Cb -0.11 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3k0s s LEU 689 CO 0.24 -0.11 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.42 3k0s s VAL 690 N 1.56 3.42 -0.16 1.68 1.01 -0.10 -1.02 120.40 126.79 3k0s s VAL 690 Ca 0.05 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3k0s s VAL 690 Cb -0.16 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.71 3k0s s VAL 690 CO 0.03 0.45 -0.20 -0.76 0.00 0.00 0.00 175.10 174.62 3k0s s LEU 691 N 1.11 2.18 -0.04 3.92 1.43 -0.48 -1.42 118.68 125.37 3k0s s LEU 691 Ca 0.01 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3k0s s LEU 691 Cb -0.15 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.61 3k0s s LEU 691 CO -0.01 0.04 -0.06 -0.04 0.23 0.00 0.00 176.35 176.51 3k0s s MET 692 N 1.04 0.96 -0.24 1.70 -1.94 -0.62 -0.33 119.30 119.88 3k0s s MET 692 Ca -0.01 -0.18 -0.04 0.00 -1.71 0.00 0.00 55.69 53.75 3k0s s MET 692 Cb -0.14 -0.91 0.00 0.00 2.01 0.00 0.00 34.83 35.79 3k0s s MET 692 CO -0.07 -0.03 -0.02 1.21 -0.01 0.00 0.00 175.02 176.10 3k0s s ASN 693 N 0.74 4.50 -1.48 3.03 2.47 0.21 -0.57 114.94 123.85 3k0s s ASN 693 Ca -0.11 -0.58 -0.05 0.00 0.42 0.00 0.00 52.86 52.55 3k0s s ASN 693 Cb -0.14 -1.75 0.04 0.00 -1.45 0.00 0.00 41.25 37.95 3k0s s ASN 693 CO 0.01 -0.08 0.52 -0.62 -3.72 0.00 0.00 177.10 173.21 3k0s n GLU 694 N 4.78 -3.39 -2.14 0.43 1.02 0.15 -4.84 120.64 116.65 3k0s n GLU 694 Ca -0.17 0.41 -0.35 0.00 -0.02 0.00 0.00 57.16 57.03 3k0s n GLU 694 Cb 0.49 -4.70 0.01 0.00 -0.02 0.00 0.00 31.44 27.23 3k0s n GLU 694 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3k0s s ILE 695 N -3.79 3.18 0.00 -3.67 -4.36 -1.26 -3.22 121.20 108.09 3k0s s ILE 695 Ca 0.19 0.69 0.00 0.00 -0.26 0.00 0.00 60.65 61.28 3k0s s ILE 695 Cb -0.10 -3.25 0.00 0.00 1.25 0.00 0.00 42.46 40.36 3k0s s ILE 695 CO 0.89 -0.20 0.00 0.61 0.24 0.00 0.00 174.94 176.48 3k0s n GLY 696 N -0.00 1.76 3.68 6.27 0.00 -1.26 -4.68 105.19 110.96 3k0s n GLY 696 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.17 1.61 -0.24 1.61 5.12 -1.20 -3.12 116.66 120.28 3k0s n ARG 697 Ca 0.00 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.50 3k0s n ARG 697 Cb 0.00 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 28.98 3k0s n ARG 697 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3k0s n GLY 698 N 0.95 0.68 0.00 -0.13 0.00 -1.26 -4.79 105.19 100.64 3k0s n GLY 698 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3k0s n GLY 698 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3k0s n THR 699 N -2.06 0.00 -1.22 2.61 5.66 -1.18 -4.85 114.28 113.23 3k0s n THR 699 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 3k0s n THR 699 Cb 0.00 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 68.88 3k0s n THR 699 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3k0s s SER 700 N -0.99 4.23 0.17 1.09 1.04 -1.26 -4.78 113.70 113.20 3k0s s SER 700 Ca 0.00 1.96 -0.21 0.00 0.48 0.00 0.00 55.95 58.19 3k0s s SER 700 Cb 0.00 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 63.67 3k0s s SER 700 CO 0.00 -2.22 1.62 0.74 0.98 0.00 0.00 173.24 174.36 3k0s h THR 701 N -1.06 0.32 -0.30 2.02 2.02 -1.98 -0.05 112.91 113.88 3k0s h THR 701 Ca -0.44 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.57 3k0s h THR 701 Cb 1.25 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3k0s h THR 701 CO 0.49 0.00 -0.48 1.88 0.37 0.00 0.00 175.52 177.79 3k0s h TYR 702 N -0.19 1.06 -0.38 3.16 0.05 -1.98 -0.08 116.97 118.61 3k0s h TYR 702 Ca 0.19 -0.36 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 3k0s h TYR 702 Cb 0.49 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 3k0s h TYR 702 CO -0.48 1.18 0.15 -0.44 -1.05 0.00 0.00 178.16 177.52 3k0s h ASP 703 N 0.63 0.52 -0.22 3.88 3.32 -1.92 -0.75 116.42 121.89 3k0s h ASP 703 Ca 0.02 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 3k0s h ASP 703 Cb 1.08 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 3k0s h ASP 703 CO 0.11 0.54 0.05 1.23 -1.72 0.00 0.00 179.24 179.45 3k0s h GLY 704 N 0.46 0.38 0.92 2.75 0.00 -0.93 0.76 103.07 107.41 3k0s h GLY 704 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.23 3k0s h GLY 704 CO -0.01 0.23 0.17 -2.00 0.00 0.00 0.00 176.54 174.93 3k0s h LEU 705 N 0.17 0.28 -1.12 3.11 5.85 -1.04 0.18 115.31 122.73 3k0s h LEU 705 Ca 0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3k0s h LEU 705 Cb 0.29 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3k0s h LEU 705 CO 0.00 0.20 0.48 0.28 -0.34 0.00 0.00 178.44 179.06 3k0s h SER 706 N 0.36 0.95 -0.22 1.25 0.02 -0.77 0.15 113.55 115.29 3k0s h SER 706 Ca 0.12 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 3k0s h SER 706 Cb 0.01 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 3k0s h SER 706 CO -0.06 0.73 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.08 3k0s h LEU 707 N 1.10 0.56 -0.58 5.07 3.38 -0.55 -1.11 115.31 123.18 3k0s h LEU 707 Ca 0.29 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3k0s h LEU 707 Cb -0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3k0s h LEU 707 CO -0.05 0.92 0.36 0.00 0.09 0.00 0.00 178.44 179.76 3k0s h ALA 708 N 0.66 0.73 0.47 1.53 0.00 -0.61 0.11 119.26 122.16 3k0s h ALA 708 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3k0s h ALA 708 Cb 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3k0s h ALA 708 CO 0.05 0.19 -0.23 2.35 0.00 0.00 0.00 179.25 181.62 3k0s h TRP 709 N 0.78 -0.59 -0.91 0.00 2.91 -0.70 0.21 115.95 117.66 3k0s h TRP 709 Ca 0.21 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.23 3k0s h TRP 709 Cb -0.05 0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 28.75 3k0s h TRP 709 CO -0.03 -0.33 0.60 0.00 -1.03 0.00 0.00 178.44 177.65 3k0s h ALA 710 N -0.20 1.38 -0.25 2.65 0.00 -1.11 -0.51 119.26 121.21 3k0s h ALA 710 Ca -0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3k0s h ALA 710 Cb 0.52 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3k0s h ALA 710 CO 0.11 0.56 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 3k0s h ALA 712 N 0.77 0.31 -0.40 0.00 0.00 -0.64 -1.14 119.26 118.16 3k0s h ALA 712 Ca 0.07 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3k0s h ALA 712 Cb 0.51 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3k0s h ALA 712 CO 0.02 -0.30 0.08 0.93 0.00 0.00 0.00 179.25 179.99 3k0s h GLU 713 N 0.24 0.20 -0.70 0.00 5.08 -1.03 0.40 114.58 118.76 3k0s h GLU 713 Ca 0.12 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3k0s h GLU 713 Cb 0.07 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3k0s h GLU 713 CO -0.11 0.13 0.24 -0.97 -1.00 0.00 0.00 179.01 177.30 3k0s h ASN 714 N 0.21 1.01 -0.31 1.42 -1.24 -0.94 0.17 115.58 115.89 3k0s h ASN 714 Ca 0.19 -0.20 -0.12 0.00 0.71 0.00 0.00 56.30 56.88 3k0s h ASN 714 Cb 0.23 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 3k0s h ASN 714 CO -0.25 0.94 -0.25 -0.07 -1.29 0.00 0.00 177.43 176.51 3k0s h LEU 715 N 1.02 0.83 0.06 0.34 3.38 -0.78 -0.76 115.31 119.40 3k0s h LEU 715 Ca 0.23 -0.32 -0.28 0.00 0.09 0.00 0.00 57.88 57.60 3k0s h LEU 715 Cb 0.28 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.82 3k0s h LEU 715 CO -0.01 1.05 -1.19 0.00 0.09 0.00 0.00 178.44 178.38 3k0s h ALA 716 N 1.01 0.10 0.00 1.53 0.00 -0.53 0.27 119.26 121.64 3k0s h ALA 716 Ca 0.09 -0.79 -0.29 0.00 0.00 0.00 0.00 54.91 53.91 3k0s h ALA 716 Cb 0.79 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3k0s h ALA 716 CO 0.07 0.80 -2.11 0.09 0.00 0.00 0.00 179.25 178.09 3k0s n ASN 717 N -3.71 2.10 -0.05 0.00 3.02 0.57 -4.33 115.26 112.86 3k0s n ASN 717 Ca -0.11 -0.08 -0.04 0.00 -0.03 0.00 0.00 54.58 54.33 3k0s n ASN 717 Cb 0.97 0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 40.14 3k0s n ASN 717 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3k0s n LYS 718 N -2.94 0.29 -0.05 3.52 4.81 -0.58 -4.68 118.16 118.53 3k0s n LYS 718 Ca -0.33 0.32 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 3k0s n LYS 718 Cb 0.91 -1.23 -0.07 0.00 0.02 0.00 0.00 35.03 34.66 3k0s n LYS 718 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3k0s h ILE 719 N -0.61 1.32 -1.30 3.15 2.04 -1.32 -3.48 117.51 117.31 3k0s h ILE 719 Ca 0.00 -1.13 -0.22 0.00 1.00 0.00 0.00 64.86 64.51 3k0s h ILE 719 Cb 0.41 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3k0s h ILE 719 CO 0.00 0.33 -0.26 0.29 0.00 0.00 0.00 178.15 178.51 3k0s n LYS 720 N -4.65 -0.84 -1.32 2.37 5.02 0.93 -3.12 118.16 116.55 3k0s n LYS 720 Ca -0.06 0.62 -0.32 0.00 -2.02 0.00 0.00 58.31 56.52 3k0s n LYS 720 Cb 0.30 -4.69 0.10 0.00 -0.02 0.00 0.00 35.03 30.72 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 -2.51 2.12 -0.18 7.82 0.00 -1.18 -4.50 121.76 123.33 3k0s s ALA 721 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 3k0s s ALA 721 Cb 0.00 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 3k0s s ALA 721 CO 0.00 -1.87 1.14 -0.51 0.00 0.00 0.00 175.76 174.52 3k0s s LEU 722 N -5.61 4.16 -0.04 0.00 1.43 -0.70 -4.67 118.68 113.25 3k0s s LEU 722 Ca 0.67 1.55 0.01 0.00 -1.03 0.00 0.00 54.13 55.33 3k0s s LEU 722 Cb -0.22 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.48 3k0s s LEU 722 CO 0.50 -0.68 -0.05 -0.89 0.23 0.00 0.00 176.35 175.46 3k0s s THR 723 N 3.14 0.58 -0.35 5.49 2.01 0.27 -0.92 115.64 125.85 3k0s s THR 723 Ca 0.49 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 3k0s s THR 723 Cb -0.19 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 3k0s s THR 723 CO 0.12 0.23 0.23 -0.76 -0.69 0.00 0.00 174.62 173.75 3k0s s LEU 724 N 0.84 4.57 -0.61 4.42 1.43 -0.51 -1.50 118.68 127.33 3k0s s LEU 724 Ca -0.12 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 3k0s s LEU 724 Cb -0.14 -2.11 0.15 0.00 0.03 0.00 0.00 46.19 44.12 3k0s s LEU 724 CO 0.01 -0.28 0.40 0.12 0.23 0.00 0.00 176.35 176.83 3k0s s PHE 725 N 1.68 3.35 0.11 0.29 2.19 -0.15 -1.58 117.98 123.87 3k0s s PHE 725 Ca 0.05 -2.85 -0.30 0.00 0.33 0.00 0.00 56.93 54.17 3k0s s PHE 725 Cb -0.18 -3.10 -0.06 0.00 -1.31 0.00 0.00 43.02 38.37 3k0s s PHE 725 CO 0.09 -0.81 1.01 0.00 1.83 0.00 0.00 175.22 177.34 3k0s s ALA 726 N -0.17 3.27 0.09 11.12 0.00 0.27 -1.74 121.76 134.60 3k0s s ALA 726 Ca 0.17 0.64 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 3k0s s ALA 726 Cb -0.22 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.62 3k0s s ALA 726 CO -0.03 -0.11 0.33 -0.08 0.00 0.00 0.00 175.76 175.87 3k0s s THR 727 N 0.13 0.09 -0.63 0.00 -1.32 -0.75 0.31 115.64 113.47 3k0s s THR 727 Ca 0.49 -0.74 0.22 0.00 -1.21 0.00 0.00 61.69 60.45 3k0s s THR 727 Cb -0.25 -1.14 -0.19 0.00 -1.51 0.00 0.00 72.50 69.42 3k0s s THR 727 CO 0.31 -0.41 0.90 0.00 -2.21 0.00 0.00 174.62 173.20 3k0s n HIS 728 N 0.07 0.13 -2.02 9.09 1.44 -1.26 -4.24 115.22 118.43 3k0s n HIS 728 Ca -0.17 0.04 -0.40 0.00 -2.01 0.00 0.00 57.72 55.18 3k0s n HIS 728 Cb 0.62 -0.31 -0.03 0.00 0.12 0.00 0.00 29.99 30.39 3k0s n HIS 728 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 3k0s s TYR 729 N -3.19 1.72 0.48 -1.40 2.02 -1.26 -4.85 117.35 110.86 3k0s s TYR 729 Ca 0.03 0.76 0.13 0.00 -0.37 0.00 0.00 57.07 57.62 3k0s s TYR 729 Cb 0.15 -4.09 1.11 0.00 -0.40 0.00 0.00 41.96 38.73 3k0s s TYR 729 CO 0.84 -2.52 2.11 0.35 -1.57 0.00 0.00 175.55 174.76 3k0s h PHE 730 N 14.26 0.20 -0.16 2.71 3.57 -1.99 -1.46 116.94 134.07 3k0s h PHE 730 Ca -0.29 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.27 3k0s h PHE 730 Cb 1.17 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 3k0s h PHE 730 CO 1.01 0.13 0.15 0.93 -2.23 0.00 0.00 178.31 178.29 3k0s h GLU 731 N 0.21 0.00 0.00 1.11 3.07 -2.00 -1.36 114.58 115.61 3k0s h GLU 731 Ca 0.06 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 3k0s h GLU 731 Cb -0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3k0s h GLU 731 CO -0.01 0.00 -0.09 -0.07 -1.40 0.00 0.00 179.01 177.44 3k0s h LEU 732 N 0.00 0.00 0.00 1.33 3.38 -1.66 -2.77 115.31 115.59 3k0s h LEU 732 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k0s h LEU 732 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3k0s h LEU 732 CO -0.00 0.09 0.00 0.35 0.09 0.00 0.00 178.44 178.97 3k0s n THR 733 N -3.17 0.60 0.89 0.22 -2.24 -0.51 -1.19 114.28 108.87 3k0s n THR 733 Ca 0.02 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.07 3k0s n THR 733 Cb 0.43 -1.02 0.36 0.00 -2.10 0.00 0.00 70.33 68.00 3k0s n THR 733 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k0s n GLN 734 N -1.20 0.08 -0.23 -0.78 1.13 -1.04 -4.25 117.38 111.08 3k0s n GLN 734 Ca 0.04 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 3k0s n GLN 734 Cb 0.05 -1.56 0.12 0.00 0.11 0.00 0.00 30.24 28.96 3k0s n GLN 734 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3k0s h LEU 735 N 0.00 0.42 -2.23 1.08 3.38 -1.38 -2.82 115.31 113.77 3k0s h LEU 735 Ca 0.00 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3k0s h LEU 735 Cb 0.57 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3k0s h LEU 735 CO 0.00 0.25 0.07 -0.65 0.09 0.00 0.00 178.44 178.20 3k0s h PRO 736 N 0.57 0.00 -0.17 1.13 0.11 -1.78 -0.43 132.00 131.42 3k0s h PRO 736 Ca 0.32 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.22 3k0s h PRO 736 Cb 0.33 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.44 3k0s h PRO 736 CO -0.26 0.00 -0.73 0.93 -0.21 0.00 0.00 178.00 177.73 3k0s h GLU 737 N 0.00 0.76 -0.00 1.05 3.07 -1.80 -3.26 114.58 114.40 3k0s h GLU 737 Ca 0.04 -0.59 0.00 0.00 -0.50 0.00 0.00 59.36 58.30 3k0s h GLU 737 Cb 0.18 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3k0s h GLU 737 CO -0.00 1.21 -0.25 1.63 -1.40 0.00 0.00 179.01 180.19 3k0s n LYS 738 N -3.94 0.25 -3.68 2.33 5.02 -0.61 -4.89 118.16 112.65 3k0s n LYS 738 Ca -0.06 -0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.01 3k0s n LYS 738 Cb 0.72 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 34.12 3k0s n LYS 738 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3k0s s MET 739 N -2.82 0.29 0.57 1.97 1.75 -0.27 -5.10 119.30 115.69 3k0s s MET 739 Ca 0.17 0.86 -0.18 0.00 -1.25 0.00 0.00 55.69 55.29 3k0s s MET 739 Cb 0.19 0.11 -0.04 0.00 2.84 0.00 0.00 34.83 37.92 3k0s s MET 739 CO 0.58 -0.23 1.12 -1.21 -0.65 0.00 0.00 175.02 174.64 3k0s s GLU 740 N 2.13 3.22 0.00 4.11 8.01 -1.26 -3.66 118.70 131.24 3k0s s GLU 740 Ca -0.04 1.53 0.00 0.00 0.01 0.00 0.00 54.97 56.47 3k0s s GLU 740 Cb -0.11 -2.00 0.00 0.00 -4.31 0.00 0.00 34.13 27.72 3k0s s GLU 740 CO -0.11 -0.94 0.00 0.41 0.01 0.00 0.00 175.26 174.63 3k0s n GLY 741 N -0.07 0.81 3.44 -1.39 0.00 -1.26 -4.94 105.19 101.79 3k0s n GLY 741 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.14 2.69 0.13 1.61 1.01 -1.24 -0.68 120.40 120.77 3k0s s VAL 742 Ca 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 61.98 60.63 3k0s s VAL 742 Cb 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3k0s s VAL 742 CO 0.00 0.31 0.23 0.00 0.00 0.00 0.00 175.10 175.63 3k0s s ALA 743 N -0.94 -0.01 -0.08 5.51 0.00 -0.60 -4.51 121.76 121.14 3k0s s ALA 743 Ca 0.15 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 3k0s s ALA 743 Cb -0.10 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 3k0s s ALA 743 CO 0.05 -0.58 0.03 -0.80 0.00 0.00 0.00 175.76 174.47 3k0s s ASN 744 N -2.93 5.45 0.16 0.00 0.01 -1.26 -0.67 114.94 115.69 3k0s s ASN 744 Ca 0.13 0.19 -0.03 0.00 -0.71 0.00 0.00 52.86 52.44 3k0s s ASN 744 Cb 0.04 -1.58 -0.03 0.00 0.41 0.00 0.00 41.25 40.09 3k0s s ASN 744 CO -0.04 0.37 0.12 0.68 -1.51 0.00 0.00 177.10 176.72 3k0s s VAL 745 N -0.94 0.07 0.16 1.60 -7.23 -0.29 -1.39 120.40 112.38 3k0s s VAL 745 Ca 0.15 -1.84 -0.17 0.00 -1.81 0.00 0.00 61.98 58.31 3k0s s VAL 745 Cb -0.11 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.73 3k0s s VAL 745 CO 0.04 -0.32 0.47 -1.38 -0.31 0.00 0.00 175.10 173.61 3k0s s HIS 746 N -4.06 -0.18 0.04 2.82 -3.43 -0.20 -2.00 115.29 108.28 3k0s s HIS 746 Ca 0.26 -0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.39 3k0s s HIS 746 Cb 0.06 0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 3k0s s HIS 746 CO 0.04 -0.82 0.15 -0.51 -2.00 0.00 0.00 174.74 171.61 3k0s s LEU 747 N -2.84 4.15 0.00 5.38 1.43 -0.78 -1.49 118.68 124.54 3k0s s LEU 747 Ca 0.06 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3k0s s LEU 747 Cb 0.00 -2.66 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 3k0s s LEU 747 CO -0.08 0.21 0.02 -0.90 0.23 0.00 0.00 176.35 175.83 3k0s n ASP 748 N 0.62 3.09 -4.29 2.29 5.75 -1.26 -4.14 116.55 118.61 3k0s n ASP 748 Ca -0.08 -3.21 -0.15 0.00 -0.01 0.00 0.00 54.79 51.33 3k0s n ASP 748 Cb 0.52 0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 40.96 3k0s n ASP 748 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k0s s ALA 749 N -2.90 1.60 -0.06 2.12 0.00 -1.26 -2.42 121.76 118.85 3k0s s ALA 749 Ca 0.03 -1.63 0.04 0.00 0.00 0.00 0.00 51.96 50.40 3k0s s ALA 749 Cb 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 23.12 23.44 3k0s s ALA 749 CO 0.02 -0.20 -0.18 -0.51 0.00 0.00 0.00 175.76 174.89 3k0s s LEU 750 N -3.23 1.91 -0.27 0.00 1.02 0.75 -4.88 118.68 113.98 3k0s s LEU 750 Ca 0.23 -0.39 -0.08 0.00 0.02 0.00 0.00 54.13 53.92 3k0s s LEU 750 Cb 0.04 -1.05 -0.02 0.00 0.02 0.00 0.00 46.19 45.19 3k0s s LEU 750 CO 0.05 0.14 0.09 -1.61 0.02 0.00 0.00 176.35 175.04 3k0s s GLU 751 N 0.16 3.45 0.10 1.70 2.02 -1.26 0.81 118.70 125.68 3k0s s GLU 751 Ca -0.08 -0.62 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 3k0s s GLU 751 Cb -0.13 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 3k0s s GLU 751 CO 0.03 -0.30 0.01 -3.38 0.02 0.00 0.00 175.26 171.65 3k0s s HIS 752 N 1.59 0.74 0.00 1.61 -3.43 -1.18 -5.01 115.29 109.61 3k0s s HIS 752 Ca 0.05 -1.14 0.00 0.00 -0.80 0.00 0.00 55.06 53.17 3k0s s HIS 752 Cb -0.16 -0.46 0.00 0.00 -1.43 0.00 0.00 32.58 30.53 3k0s s HIS 752 CO 0.04 -0.43 0.00 0.41 -2.00 0.00 0.00 174.74 172.76 3k0s n GLY 753 N -0.01 1.29 2.17 -1.38 0.00 -1.26 -1.85 105.19 104.15 3k0s n GLY 753 Ca -0.09 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 3k0s n GLY 753 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k0s n ASP 754 N -1.90 5.41 -1.85 1.61 8.00 -1.26 -4.95 116.55 121.62 3k0s n ASP 754 Ca 0.00 -3.54 -0.06 0.00 0.71 0.00 0.00 54.79 51.90 3k0s n ASP 754 Cb 0.00 -0.89 -0.00 0.00 -0.02 0.00 0.00 41.12 40.20 3k0s n ASP 754 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3k0s n THR 755 N -0.85 0.00 -4.35 -3.53 5.66 -0.77 -5.10 114.28 105.34 3k0s n THR 755 Ca 0.55 -0.66 -0.22 0.00 -3.05 0.00 0.00 64.05 60.68 3k0s n THR 755 Cb 1.14 0.47 -0.16 0.00 -1.55 0.00 0.00 70.33 70.23 3k0s n THR 755 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3k0s s ILE 756 N -2.60 0.79 -0.40 1.09 2.07 -1.26 -3.10 121.20 117.79 3k0s s ILE 756 Ca 0.11 -0.28 -0.14 0.00 -1.41 0.00 0.00 60.65 58.92 3k0s s ILE 756 Cb -0.01 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 41.84 3k0s s ILE 756 CO 0.08 0.28 0.29 0.00 -1.91 0.00 0.00 174.94 173.67 3k0s s ALA 757 N 0.73 3.47 -0.73 1.50 0.00 0.24 -4.95 121.76 122.02 3k0s s ALA 757 Ca -0.12 -1.68 -0.27 0.00 0.00 0.00 0.00 51.96 49.89 3k0s s ALA 757 Cb -0.14 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.16 3k0s s ALA 757 CO 0.02 -1.40 1.30 -0.06 0.00 0.00 0.00 175.76 175.62 3k0s s PHE 758 N 1.68 2.26 0.60 0.00 0.08 -1.26 -0.18 117.98 121.16 3k0s s PHE 758 Ca 0.05 -0.02 -0.19 0.00 0.12 0.00 0.00 56.93 56.89 3k0s s PHE 758 Cb -0.19 -4.61 -0.03 0.00 -0.57 0.00 0.00 43.02 37.62 3k0s s PHE 758 CO 0.10 -2.08 1.26 -1.64 -0.10 0.00 0.00 175.22 172.75 3k0s s MET 759 N 5.78 2.91 -0.22 0.44 -1.94 -1.01 -4.95 119.30 120.30 3k0s s MET 759 Ca 0.36 1.96 0.14 0.00 -1.71 0.00 0.00 55.69 56.44 3k0s s MET 759 Cb -0.08 -1.98 0.51 0.00 2.01 0.00 0.00 34.83 35.29 3k0s s MET 759 CO 0.15 -1.29 1.43 0.72 -0.01 0.00 0.00 175.02 176.02 3k0s n HIS 760 N -1.55 0.98 -3.38 -0.03 -0.00 -1.26 -4.54 115.22 105.43 3k0s n HIS 760 Ca 0.14 -1.19 -0.39 0.00 -0.00 0.00 0.00 57.72 56.28 3k0s n HIS 760 Cb 0.48 -0.39 -0.09 0.00 -0.00 0.00 0.00 29.99 30.00 3k0s n HIS 760 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3k0s s SER 761 N -2.22 6.29 -0.26 0.41 0.15 -1.26 -4.88 113.70 111.92 3k0s s SER 761 Ca 0.43 0.33 -0.24 0.00 0.70 0.00 0.00 55.95 57.17 3k0s s SER 761 Cb 0.37 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.45 3k0s s SER 761 CO 0.05 -0.18 0.79 -0.69 1.20 0.00 0.00 173.24 174.41 3k0s s VAL 762 N 2.00 4.86 0.20 4.45 1.01 -1.26 -4.34 120.40 127.31 3k0s s VAL 762 Ca 0.16 1.42 0.11 0.00 0.00 0.00 0.00 61.98 63.67 3k0s s VAL 762 Cb -0.16 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3k0s s VAL 762 CO 0.10 -0.09 -0.23 -1.10 0.00 0.00 0.00 175.10 173.78 3k0s s GLN 763 N 2.80 1.51 0.74 2.72 -0.21 -0.55 -4.86 119.66 121.80 3k0s s GLN 763 Ca 0.33 -1.55 -0.15 0.00 0.02 0.00 0.00 55.36 54.01 3k0s s GLN 763 Cb -0.15 -1.77 0.04 0.00 1.00 0.00 0.00 33.01 32.13 3k0s s GLN 763 CO 0.08 0.37 1.21 -0.25 -2.12 0.00 0.00 175.29 174.58 3k0s n ASP 764 N 0.14 1.36 0.00 5.90 8.00 -1.26 -1.03 116.55 129.67 3k0s n ASP 764 Ca -0.12 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.08 3k0s n ASP 764 Cb 0.57 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 3k0s n ASP 764 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k0s n GLY 765 N 0.77 -0.25 3.83 0.44 0.00 -0.49 -4.67 105.19 104.82 3k0s n GLY 765 Ca 0.14 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.14 2.98 0.59 4.61 0.00 -1.26 -2.73 121.76 123.81 3k0s s ALA 766 Ca 0.00 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 3k0s s ALA 766 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3k0s s ALA 766 CO 0.00 -0.40 1.16 0.00 0.00 0.00 0.00 175.76 176.52 3k0s s ALA 767 N -2.60 2.57 0.00 0.00 0.00 -1.26 -4.88 121.76 115.58 3k0s s ALA 767 Ca 0.60 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3k0s s ALA 767 Cb -0.12 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3k0s s ALA 767 CO 0.33 -1.07 0.79 -1.13 0.00 0.00 0.00 175.76 174.68 3k0s n SER 768 N -1.68 1.46 -4.08 0.00 3.41 -1.26 -4.95 113.62 106.51 3k0s n SER 768 Ca 0.12 -1.61 -0.13 0.00 -0.26 0.00 0.00 58.87 56.99 3k0s n SER 768 Cb 0.51 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 3k0s n SER 768 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3k0s s LYS 769 N -0.61 0.58 0.33 4.33 1.02 -1.26 -5.16 119.74 118.96 3k0s s LYS 769 Ca 0.00 -0.83 0.08 0.00 0.02 0.00 0.00 55.97 55.24 3k0s s LYS 769 Cb 0.00 -0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 3k0s s LYS 769 CO 0.00 0.05 0.20 -1.54 -0.92 0.00 0.00 175.35 173.14 3k0s s SER 770 N -1.74 4.98 0.00 2.83 1.04 -1.26 -4.78 113.70 114.76 3k0s s SER 770 Ca -0.07 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3k0s s SER 770 Cb -0.08 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.15 3k0s s SER 770 CO 0.00 -0.29 0.43 -1.22 0.98 0.00 0.00 173.24 173.15 3k0s n TYR 771 N -1.23 0.00 -0.35 5.02 4.02 -1.26 -4.83 117.16 118.53 3k0s n TYR 771 Ca -0.03 -0.09 -0.03 0.00 -0.01 0.00 0.00 57.90 57.73 3k0s n TYR 771 Cb 0.60 -0.01 0.10 0.00 -0.02 0.00 0.00 39.34 40.01 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 0.00 1.36 1.02 2.72 0.00 -1.98 -0.52 103.07 105.66 3k0s h GLY 772 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 3k0s h GLY 772 CO 0.00 0.54 -0.02 1.41 0.00 0.00 0.00 176.54 178.47 3k0s h LEU 773 N 1.29 0.87 -0.54 3.11 3.38 -1.99 0.29 115.31 121.72 3k0s h LEU 773 Ca 0.34 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3k0s h LEU 773 Cb -0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3k0s h LEU 773 CO -0.06 0.98 0.36 0.00 0.09 0.00 0.00 178.44 179.80 3k0s h ALA 774 N 0.92 0.69 -0.54 1.53 0.00 -1.77 -1.41 119.26 118.68 3k0s h ALA 774 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3k0s h ALA 774 Cb 0.54 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3k0s h ALA 774 CO 0.03 0.12 0.34 0.28 0.00 0.00 0.00 179.25 180.02 3k0s h VAL 775 N 0.73 1.15 -0.81 0.00 2.07 -0.87 -1.81 116.25 116.71 3k0s h VAL 775 Ca 0.20 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.47 3k0s h VAL 775 Cb -0.08 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 3k0s h VAL 775 CO -0.05 0.15 0.53 0.00 0.02 0.00 0.00 177.57 178.23 3k0s h ALA 776 N 1.17 1.60 -0.03 1.67 0.00 -0.03 0.11 119.26 123.75 3k0s h ALA 776 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3k0s h ALA 776 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3k0s h ALA 776 CO -0.04 0.28 -0.12 0.00 0.00 0.00 0.00 179.25 179.37 3k0s h ALA 777 N 1.56 0.06 -1.00 0.00 0.00 -1.06 -1.34 119.26 117.47 3k0s h ALA 777 Ca 0.35 -0.36 0.15 0.00 0.00 0.00 0.00 54.91 55.04 3k0s h ALA 777 Cb 0.21 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 3k0s h ALA 777 CO -0.12 -0.04 0.62 -0.07 0.00 0.00 0.00 179.25 179.64 3k0s h LEU 778 N -0.43 0.87 0.00 0.00 3.38 -1.09 -1.13 115.31 116.91 3k0s h LEU 778 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3k0s h LEU 778 Cb 0.76 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3k0s h LEU 778 CO 0.03 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3k0s n ALA 779 N -2.34 2.00 0.00 1.53 0.00 0.00 -4.89 120.51 116.81 3k0s n ALA 779 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3k0s n ALA 779 Cb 0.44 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.64 0.52 3.64 0.00 0.00 -0.43 -5.05 105.19 104.51 3k0s n GLY 780 Ca 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.92 0.03 -1.70 1.61 0.31 -0.55 -4.85 118.33 111.25 3k0s n VAL 781 Ca 0.00 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3k0s n VAL 781 Cb 0.00 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 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 3.20 2.02 -0.31 5.55 -0.02 -1.26 -4.64 135.00 139.55 3k0s n PRO 782 Ca 0.18 0.71 0.09 0.00 -2.02 0.00 0.00 63.50 62.46 3k0s n PRO 782 Cb 0.24 -2.34 0.25 0.00 -0.02 0.00 0.00 33.50 31.63 3k0s n PRO 782 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3k0s h LYS 783 N 2.32 0.61 -0.68 -0.52 3.64 -1.99 -0.08 116.57 119.88 3k0s h LYS 783 Ca -0.47 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 3k0s h LYS 783 Cb 1.29 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 3k0s h LYS 783 CO 0.61 0.40 0.18 0.93 -2.27 0.00 0.00 179.45 179.31 3k0s h GLU 784 N 0.63 1.06 -0.59 1.90 4.39 -2.00 -1.67 114.58 118.30 3k0s h GLU 784 Ca 0.49 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 3k0s h GLU 784 Cb 0.74 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 3k0s h GLU 784 CO -0.38 0.92 0.21 0.28 -1.16 0.00 0.00 179.01 178.88 3k0s h VAL 785 N 1.01 1.23 -0.46 3.13 2.07 -1.37 -2.30 116.25 119.56 3k0s h VAL 785 Ca 0.22 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 3k0s h VAL 785 Cb 0.33 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3k0s h VAL 785 CO -0.00 0.29 -0.17 0.40 0.02 0.00 0.00 177.57 178.11 3k0s h ILE 786 N 0.82 1.27 -0.36 4.57 2.04 -1.20 -1.89 117.51 122.76 3k0s h ILE 786 Ca 0.19 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.80 3k0s h ILE 786 Cb 0.24 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3k0s h ILE 786 CO -0.01 0.44 0.10 0.50 0.00 0.00 0.00 178.15 179.18 3k0s h LYS 787 N 0.78 0.23 -0.93 2.37 3.64 -1.09 0.12 116.57 121.69 3k0s h LYS 787 Ca 0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3k0s h LYS 787 Cb 0.70 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 3k0s h LYS 787 CO 0.05 0.15 0.54 0.00 -2.27 0.00 0.00 179.45 177.93 3k0s h ARG 788 N 0.24 1.28 -0.79 1.90 2.47 -1.21 -2.47 114.38 115.79 3k0s h ARG 788 Ca 0.17 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 3k0s h ARG 788 Cb 0.17 -0.26 -0.04 0.00 -1.65 0.00 0.00 29.97 28.19 3k0s h ARG 788 CO -0.20 0.91 0.32 0.00 0.56 0.00 0.00 179.97 181.56 3k0s h ALA 789 N 1.30 1.07 -0.53 0.04 0.00 -0.66 -1.12 119.26 119.36 3k0s h ALA 789 Ca 0.33 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3k0s h ALA 789 Cb -0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3k0s h ALA 789 CO -0.06 0.66 0.28 -0.09 0.00 0.00 0.00 179.25 180.04 3k0s h ARG 790 N 1.15 0.52 -0.29 0.00 9.65 -0.34 0.28 114.38 125.36 3k0s h ARG 790 Ca 0.27 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.08 3k0s h ARG 790 Cb 0.21 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 3k0s h ARG 790 CO -0.02 0.35 0.05 0.37 2.80 0.00 0.00 179.97 183.51 3k0s h GLN 791 N 0.54 0.48 -0.78 0.20 4.15 -1.18 -1.91 115.11 116.59 3k0s h GLN 791 Ca 0.23 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.55 3k0s h GLN 791 Cb 0.12 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 3k0s h GLN 791 CO -0.15 0.58 0.50 -0.22 -1.93 0.00 0.00 178.83 177.62 3k0s h LYS 792 N 0.29 0.96 0.02 1.69 1.63 -0.80 -1.95 116.57 118.41 3k0s h LYS 792 Ca 0.09 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3k0s h LYS 792 Cb 0.34 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 3k0s h LYS 792 CO 0.01 0.64 -0.01 1.25 -3.45 0.00 0.00 179.45 177.88 3k0s h LEU 793 N 0.99 -0.03 -0.79 5.20 5.85 -0.19 -0.23 115.31 126.11 3k0s h LEU 793 Ca 0.31 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.01 3k0s h LEU 793 Cb -0.01 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3k0s h LEU 793 CO -0.10 0.02 0.51 -0.09 -0.34 0.00 0.00 178.44 178.44 3k0s h ARG 794 N -0.07 1.00 -0.77 1.25 2.43 -1.17 -0.77 114.38 116.29 3k0s h ARG 794 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3k0s h ARG 794 Cb 0.06 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 3k0s h ARG 794 CO 0.01 0.66 0.49 1.49 -1.51 0.00 0.00 179.97 181.11 3k0s h GLU 795 N 1.03 1.02 -0.25 0.20 4.81 -0.96 -0.95 114.58 119.48 3k0s h GLU 795 Ca 0.30 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 3k0s h GLU 795 Cb -0.05 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 3k0s h GLU 795 CO -0.09 0.70 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.65 3k0s h LEU 796 N 1.04 0.58 -0.66 1.64 3.38 -0.62 -3.29 115.31 117.39 3k0s h LEU 796 Ca 0.28 -0.44 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3k0s h LEU 796 Cb -0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3k0s h LEU 796 CO -0.06 0.90 -0.53 -0.33 0.09 0.00 0.00 178.44 178.51 3k0s h GLU 797 N 0.28 0.38 0.00 1.13 5.08 -1.03 -3.28 114.58 117.14 3k0s h GLU 797 Ca 0.05 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3k0s h GLU 797 Cb 0.70 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3k0s h GLU 797 CO 0.05 0.82 0.00 -1.13 -1.00 0.00 0.00 179.01 177.75 3k0s n SER 798 N -3.95 0.73 0.24 1.42 3.41 -0.37 -2.26 113.62 112.85 3k0s n SER 798 Ca -0.02 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.33 3k0s n SER 798 Cb 0.58 -0.82 0.62 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.00 0.83 0.00 -1.33 2.04 -1.69 -3.52 117.51 113.84 3k0s h ILE 799 Ca 0.00 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3k0s h ILE 799 Cb 0.46 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3k0s h ILE 799 CO 0.00 0.15 0.00 -0.24 0.00 0.00 0.00 178.15 178.06