#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2x s LEU 2 N 0.00 3.30 -0.43 -0.89 1.02 -1.26 -4.80 118.68 115.61 1h2x s LEU 2 Ca 0.00 0.40 0.04 0.00 0.02 0.00 0.00 54.13 54.59 1h2x s LEU 2 Cb 0.00 -2.53 0.51 0.00 0.02 0.00 0.00 46.19 44.19 1h2x s LEU 2 CO 0.00 -2.48 1.66 -1.54 0.02 0.00 0.00 176.35 174.01 1h2x n SER 3 N 13.33 4.74 -4.20 2.29 3.41 -1.26 -4.97 113.62 126.95 1h2x n SER 3 Ca 0.24 -3.75 -0.12 0.00 -0.26 0.00 0.00 58.87 54.97 1h2x n SER 3 Cb 0.52 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.66 1h2x n SER 3 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1h2x s PHE 4 N -3.51 1.18 -0.06 7.33 -0.12 -1.26 -5.16 117.98 116.39 1h2x s PHE 4 Ca 0.54 -1.37 0.05 0.00 -0.05 0.00 0.00 56.93 56.10 1h2x s PHE 4 Cb 0.45 -0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 42.25 1h2x s PHE 4 CO 0.02 -0.63 -0.20 -1.14 -0.05 0.00 0.00 175.22 173.22 1h2x s GLN 5 N -4.15 2.55 0.38 1.99 0.74 -1.26 -5.11 119.66 114.80 1h2x s GLN 5 Ca 0.39 -0.82 -0.26 0.00 0.05 0.00 0.00 55.36 54.72 1h2x s GLN 5 Cb 0.07 -2.26 -0.09 0.00 1.10 0.00 0.00 33.01 31.83 1h2x s GLN 5 CO 0.12 0.47 1.21 0.71 -0.55 0.00 0.00 175.29 177.25 1h2x s TYR 6 N -0.37 3.05 0.71 1.67 2.02 -1.26 -4.98 117.35 118.19 1h2x s TYR 6 Ca 0.03 1.52 -0.16 0.00 -0.37 0.00 0.00 57.07 58.09 1h2x s TYR 6 Cb -0.12 -3.48 0.02 0.00 -0.40 0.00 0.00 41.96 37.99 1h2x s TYR 6 CO 0.02 -1.49 1.22 -2.14 -1.57 0.00 0.00 175.55 171.60 1h2x s PRO 7 N -2.16 2.27 0.16 -1.71 0.02 -1.26 -4.97 135.00 127.34 1h2x s PRO 7 Ca 0.55 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 63.09 1h2x s PRO 7 Cb -0.33 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.27 1h2x s PRO 7 CO 0.43 -1.75 1.23 -0.51 -0.33 0.00 0.00 177.00 176.06 1h2x s ASP 8 N -1.88 7.04 -0.11 2.53 1.01 -1.26 -5.01 116.67 118.99 1h2x s ASP 8 Ca 0.76 2.22 -0.03 0.00 0.71 0.00 0.00 52.55 56.21 1h2x s ASP 8 Cb -0.31 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.07 1h2x s ASP 8 CO 0.43 -0.44 0.07 -0.69 0.21 0.00 0.00 175.17 174.75 1h2x s VAL 9 N 0.30 -0.02 0.29 -1.27 1.01 -1.26 -5.00 120.40 114.44 1h2x s VAL 9 Ca 0.56 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 1h2x s VAL 9 Cb -0.33 -0.42 -0.11 0.00 0.00 0.00 0.00 36.38 35.52 1h2x s VAL 9 CO 0.35 -0.04 1.52 -0.47 0.00 0.00 0.00 175.10 176.46 1h2x s TYR 10 N 2.12 2.83 -0.31 5.22 5.04 -1.26 -4.99 117.35 126.00 1h2x s TYR 10 Ca 0.03 0.92 -0.09 0.00 -2.44 0.00 0.00 57.07 55.50 1h2x s TYR 10 Cb -0.14 -3.97 0.00 0.00 0.35 0.00 0.00 41.96 38.20 1h2x s TYR 10 CO -0.06 -3.17 0.13 1.03 -1.34 0.00 0.00 175.55 172.14 1h2x s ARG 11 N -0.67 3.20 -1.01 4.97 0.52 -1.26 -4.73 118.95 119.96 1h2x s ARG 11 Ca 0.60 -0.80 -0.20 0.00 -0.52 0.00 0.00 55.73 54.81 1h2x s ARG 11 Cb -0.45 -3.50 0.10 0.00 0.52 0.00 0.00 34.95 31.62 1h2x s ARG 11 CO 0.48 -0.45 1.32 0.34 0.02 0.00 0.00 175.30 177.01 1h2x s ASP 12 N 1.56 6.62 0.00 0.23 2.15 0.25 -4.82 116.67 122.66 1h2x s ASP 12 Ca 0.04 -1.89 0.14 0.00 0.43 0.00 0.00 52.55 51.26 1h2x s ASP 12 Cb -0.17 -2.48 0.77 0.00 -0.30 0.00 0.00 42.92 40.73 1h2x s ASP 12 CO 0.05 -1.23 1.32 -0.62 -0.17 0.00 0.00 175.17 174.52 1h2x n GLU 13 N 7.55 0.31 0.00 4.34 -0.58 -1.26 -2.04 120.64 128.96 1h2x n GLU 13 Ca 0.30 0.09 0.11 0.00 -0.42 0.00 0.00 57.16 57.24 1h2x n GLU 13 Cb 0.49 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.99 1h2x n GLU 13 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1h2x n THR 14 N -1.16 0.00 -2.34 2.62 -2.24 -1.26 -4.72 114.28 105.18 1h2x n THR 14 Ca 0.08 -0.02 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 1h2x n THR 14 Cb 0.08 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 1h2x n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h2x n ALA 15 N -1.36 3.05 -2.90 6.98 0.00 -0.87 -4.91 120.51 120.50 1h2x n ALA 15 Ca 0.06 -3.56 -0.32 0.00 0.00 0.00 0.00 53.44 49.62 1h2x n ALA 15 Cb 0.34 -3.56 -0.16 0.00 0.00 0.00 0.00 19.45 16.07 1h2x n ALA 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1h2x s ILE 16 N 6.49 2.36 -0.01 0.00 1.01 -1.26 -0.51 121.20 129.28 1h2x s ILE 16 Ca 0.59 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 60.33 1h2x s ILE 16 Cb 0.03 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1h2x s ILE 16 CO 0.09 0.56 -0.11 -1.58 0.00 0.00 0.00 174.94 173.90 1h2x s GLN 17 N 0.01 0.95 -0.22 2.79 0.74 -0.08 -4.96 119.66 118.89 1h2x s GLN 17 Ca -0.08 -0.40 -0.17 0.00 0.05 0.00 0.00 55.36 54.76 1h2x s GLN 17 Cb -0.15 -0.91 -0.03 0.00 1.10 0.00 0.00 33.01 33.02 1h2x s GLN 17 CO 0.05 0.23 0.48 0.34 -0.55 0.00 0.00 175.29 175.85 1h2x s ASP 18 N -0.22 6.48 -0.41 6.67 2.15 -1.26 -0.41 116.67 129.67 1h2x s ASP 18 Ca 0.04 0.58 -0.01 0.00 0.43 0.00 0.00 52.55 53.58 1h2x s ASP 18 Cb -0.05 -2.27 0.11 0.00 -0.30 0.00 0.00 42.92 40.41 1h2x s ASP 18 CO -0.00 -0.18 0.19 -0.31 -0.17 0.00 0.00 175.17 174.69 1h2x s TYR 19 N 1.76 3.61 -1.56 -5.34 1.51 0.64 -4.76 117.35 113.21 1h2x s TYR 19 Ca 0.22 -2.60 -0.14 0.00 -1.01 0.00 0.00 57.07 53.54 1h2x s TYR 19 Cb -0.15 -3.15 0.10 0.00 -0.11 0.00 0.00 41.96 38.65 1h2x s TYR 19 CO 0.09 -0.95 0.90 0.72 -1.11 0.00 0.00 175.55 175.20 1h2x n HIS 20 N 4.40 -2.12 0.00 2.71 8.25 -1.26 -0.70 115.22 126.50 1h2x n HIS 20 Ca 0.00 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 58.33 1h2x n HIS 20 Cb 0.41 -3.75 0.00 0.00 1.12 0.00 0.00 29.99 27.77 1h2x n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h2x n GLY 21 N -1.63 3.24 3.62 -1.41 0.00 -1.26 -5.04 105.19 102.71 1h2x n GLY 21 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1h2x n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1h2x s HIS 22 N -2.67 3.27 -0.12 1.61 5.65 0.13 -5.04 115.29 118.11 1h2x s HIS 22 Ca 0.00 0.56 -0.28 0.00 0.25 0.00 0.00 55.06 55.58 1h2x s HIS 22 Cb 0.00 -2.64 -0.01 0.00 -1.18 0.00 0.00 32.58 28.74 1h2x s HIS 22 CO 0.00 -0.23 0.96 0.15 -0.65 0.00 0.00 174.74 174.98 1h2x s LYS 23 N 2.09 4.39 -0.15 2.88 -0.14 -1.26 -0.26 119.74 127.28 1h2x s LYS 23 Ca 0.19 1.29 0.02 0.00 -1.36 0.00 0.00 55.97 56.11 1h2x s LYS 23 Cb -0.16 -3.55 0.01 0.00 -1.68 0.00 0.00 37.83 32.45 1h2x s LYS 23 CO 0.09 -0.32 -0.21 0.08 -0.76 0.00 0.00 175.35 174.23 1h2x s VAL 24 N 2.07 2.15 -0.11 3.17 1.01 0.45 -4.96 120.40 124.18 1h2x s VAL 24 Ca 0.46 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 1h2x s VAL 24 Cb -0.18 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1h2x s VAL 24 CO 0.16 0.54 0.33 0.00 0.00 0.00 0.00 175.10 176.14 1h2x n ASP 26 N 3.05 2.10 0.24 0.00 2.03 0.33 -4.97 116.55 119.32 1h2x n ASP 26 Ca -0.12 -3.07 0.16 0.00 0.52 0.00 0.00 54.79 52.28 1h2x n ASP 26 Cb 0.52 -0.66 0.85 0.00 -0.72 0.00 0.00 41.12 41.11 1h2x n ASP 26 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1h2x h PRO 27 N 4.41 0.00 -0.35 -0.67 0.13 -1.77 -1.68 132.00 132.06 1h2x h PRO 27 Ca 0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.22 1h2x h PRO 27 Cb 0.77 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.86 1h2x h PRO 27 CO 0.66 0.00 0.02 0.66 -0.23 0.00 0.00 178.00 179.11 1h2x n TYR 28 N -2.60 1.19 -0.01 1.56 4.01 -1.26 -0.58 117.16 119.47 1h2x n TYR 28 Ca -0.02 -1.08 0.19 0.00 -0.16 0.00 0.00 57.90 56.83 1h2x n TYR 28 Cb 0.06 -0.41 0.66 0.00 -0.31 0.00 0.00 39.34 39.34 1h2x n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h2x h ALA 29 N 1.75 2.43 0.00 -0.72 0.00 -1.67 -0.44 119.26 120.60 1h2x h ALA 29 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1h2x h ALA 29 Cb 1.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1h2x h ALA 29 CO 0.33 -0.58 0.00 0.11 0.00 0.00 0.00 179.25 179.12 1h2x h TRP 30 N 0.05 0.00 0.00 0.00 5.08 -1.85 -0.93 115.95 118.31 1h2x h TRP 30 Ca 0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.22 1h2x h TRP 30 Cb 0.94 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 1h2x h TRP 30 CO -0.00 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.44 1h2x n LEU 31 N -3.02 0.00 0.14 0.11 4.77 -0.18 -2.35 117.00 116.47 1h2x n LEU 31 Ca -0.02 0.15 0.13 0.00 -0.03 0.00 0.00 56.01 56.24 1h2x n LEU 31 Cb 0.12 -0.15 0.45 0.00 -2.33 0.00 0.00 43.42 41.51 1h2x n LEU 31 CO 0.21 -0.05 0.88 -0.33 -1.33 0.00 0.00 177.39 176.77 1h2x h GLU 32 N 0.00 0.00 -4.94 3.23 5.08 -1.35 -3.40 114.58 113.20 1h2x h GLU 32 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 1h2x h GLU 32 Cb 0.10 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.17 1h2x h GLU 32 CO 0.00 0.00 0.03 0.34 -1.00 0.00 0.00 179.01 178.38 1h2x s ASP 33 N -4.68 6.22 0.42 1.42 -1.08 -0.99 -4.92 116.67 113.06 1h2x s ASP 33 Ca 0.07 -0.91 0.29 0.00 -0.52 0.00 0.00 52.55 51.48 1h2x s ASP 33 Cb 0.10 -2.28 1.15 0.00 -1.46 0.00 0.00 42.92 40.43 1h2x s ASP 33 CO 0.51 -0.87 1.86 1.55 0.52 0.00 0.00 175.17 178.74 1h2x h PRO 34 N 8.97 0.00 0.00 4.34 0.13 -1.86 -3.20 132.00 140.38 1h2x h PRO 34 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1h2x h PRO 34 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1h2x h PRO 34 CO 0.96 0.00 -0.70 -0.25 -0.23 0.00 0.00 178.00 177.77 1h2x n ASP 35 N -2.73 0.66 -4.77 1.44 8.00 -1.26 -4.58 116.55 113.30 1h2x n ASP 35 Ca 0.02 -0.44 -0.33 0.00 0.71 0.00 0.00 54.79 54.74 1h2x n ASP 35 Cb 0.29 0.52 0.05 0.00 -0.02 0.00 0.00 41.12 41.96 1h2x n ASP 35 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1h2x s SER 36 N -3.13 5.09 0.33 -2.24 1.04 -1.21 -4.89 113.70 108.68 1h2x s SER 36 Ca 0.09 1.97 0.05 0.00 0.48 0.00 0.00 55.95 58.54 1h2x s SER 36 Cb 0.17 -2.55 0.58 0.00 0.10 0.00 0.00 66.02 64.32 1h2x s SER 36 CO 0.76 -1.64 1.84 -0.33 0.98 0.00 0.00 173.24 174.85 1h2x h GLU 37 N -0.06 0.48 -0.28 4.02 4.39 -1.93 -1.43 114.58 119.77 1h2x h GLU 37 Ca -0.46 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.10 1h2x h GLU 37 Cb 1.24 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1h2x h GLU 37 CO 0.54 0.56 0.12 1.96 -1.16 0.00 0.00 179.01 181.04 1h2x h GLN 38 N 0.45 0.41 -0.35 2.33 7.50 -1.95 0.33 115.11 123.84 1h2x h GLN 38 Ca 0.09 -0.07 -0.14 0.00 0.50 0.00 0.00 58.65 59.04 1h2x h GLN 38 Cb 0.41 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 1h2x h GLN 38 CO 0.02 0.42 -0.32 1.15 -1.50 0.00 0.00 178.83 178.60 1h2x h THR 39 N 0.31 1.29 -0.74 -0.54 2.02 -1.75 -1.31 112.91 112.18 1h2x h THR 39 Ca 0.09 -1.49 -0.03 0.00 0.77 0.00 0.00 66.41 65.76 1h2x h THR 39 Cb 0.15 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1h2x h THR 39 CO -0.01 0.49 0.33 0.11 0.37 0.00 0.00 175.52 176.81 1h2x h LYS 40 N 0.61 1.07 -0.32 6.66 1.57 -1.15 -0.79 116.57 124.23 1h2x h LYS 40 Ca 0.06 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1h2x h LYS 40 Cb 0.90 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1h2x h LYS 40 CO 0.08 0.85 -0.24 0.00 -0.57 0.00 0.00 179.45 179.57 1h2x h ALA 41 N 1.30 1.00 -0.10 3.86 0.00 -0.77 -1.64 119.26 122.91 1h2x h ALA 41 Ca 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1h2x h ALA 41 Cb 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1h2x h ALA 41 CO -0.03 0.59 0.04 0.35 0.00 0.00 0.00 179.25 180.21 1h2x h PHE 42 N 0.54 0.14 -0.48 0.00 3.57 -0.49 -0.80 116.94 119.43 1h2x h PHE 42 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1h2x h PHE 42 Cb 0.70 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1h2x h PHE 42 CO 0.03 0.22 0.31 0.28 -2.23 0.00 0.00 178.31 176.92 1h2x h VAL 43 N 0.02 1.13 -0.58 1.41 2.07 -0.98 -0.96 116.25 118.36 1h2x h VAL 43 Ca 0.03 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1h2x h VAL 43 Cb 0.14 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1h2x h VAL 43 CO -0.00 0.12 0.34 -0.33 0.02 0.00 0.00 177.57 177.72 1h2x h GLU 44 N 0.64 0.79 -0.56 1.57 4.39 -1.15 -1.06 114.58 119.21 1h2x h GLU 44 Ca 0.17 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 1h2x h GLU 44 Cb -0.06 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 1h2x h GLU 44 CO -0.04 0.59 0.09 0.00 -1.16 0.00 0.00 179.01 178.49 1h2x h ALA 45 N 1.16 1.10 -0.15 3.43 0.00 -0.86 -0.65 119.26 123.28 1h2x h ALA 45 Ca 0.21 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1h2x h ALA 45 Cb 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1h2x h ALA 45 CO -0.04 0.59 -0.19 1.96 0.00 0.00 0.00 179.25 181.58 1h2x h GLN 46 N 0.85 0.40 -0.10 0.00 1.08 -0.86 -2.97 115.11 113.51 1h2x h GLN 46 Ca 0.18 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1h2x h GLN 46 Cb 0.38 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1h2x h GLN 46 CO 0.01 0.79 -0.10 -0.91 -0.95 0.00 0.00 178.83 177.67 1h2x h ASN 47 N 0.03 0.14 -0.26 1.46 2.35 -1.06 -1.67 115.58 116.56 1h2x h ASN 47 Ca 0.02 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1h2x h ASN 47 Cb 0.73 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1h2x h ASN 47 CO 0.04 0.26 0.15 0.50 -1.65 0.00 0.00 177.43 176.73 1h2x h LYS 48 N 0.15 0.39 0.02 0.81 3.64 -0.96 -1.68 116.57 118.94 1h2x h LYS 48 Ca 0.03 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1h2x h LYS 48 Cb 0.27 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1h2x h LYS 48 CO 0.02 0.30 -1.92 0.44 -2.27 0.00 0.00 179.45 176.01 1h2x n ILE 49 N -4.45 1.59 -0.06 2.00 -5.35 -0.86 -4.37 119.36 107.85 1h2x n ILE 49 Ca 0.01 -0.78 -0.12 0.00 -0.27 0.00 0.00 62.75 61.59 1h2x n ILE 49 Cb 0.10 -1.04 -0.06 0.00 -1.74 0.00 0.00 39.64 36.90 1h2x n ILE 49 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1h2x h THR 50 N 0.01 1.29 -0.07 7.28 2.02 -1.08 -2.97 112.91 119.40 1h2x h THR 50 Ca -0.37 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 65.78 1h2x h THR 50 Cb 2.06 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 70.06 1h2x h THR 50 CO 0.06 0.31 -0.02 0.58 0.37 0.00 0.00 175.52 176.82 1h2x h VAL 51 N 0.07 0.93 -0.11 3.16 2.07 -1.54 -1.06 116.25 119.76 1h2x h VAL 51 Ca 0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1h2x h VAL 51 Cb 0.50 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1h2x h VAL 51 CO 0.02 0.00 -0.10 -0.65 0.02 0.00 0.00 177.57 176.86 1h2x h PRO 52 N -0.00 0.17 -0.55 1.57 0.11 -1.76 -0.37 132.00 131.16 1h2x h PRO 52 Ca 0.03 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1h2x h PRO 52 Cb 0.06 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1h2x h PRO 52 CO -0.07 0.28 0.12 0.35 -0.21 0.00 0.00 178.00 178.47 1h2x h PHE 53 N 0.17 0.95 0.00 0.65 3.57 -1.20 -0.55 116.94 120.53 1h2x h PHE 53 Ca 0.04 -0.12 -0.14 0.00 3.53 0.00 0.00 57.97 61.28 1h2x h PHE 53 Cb 0.29 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1h2x h PHE 53 CO 0.00 0.82 -0.67 -0.07 -2.23 0.00 0.00 178.31 176.17 1h2x h LEU 54 N 0.79 0.00 -0.16 0.59 3.38 -0.68 -3.31 115.31 115.92 1h2x h LEU 54 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1h2x h LEU 54 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1h2x h LEU 54 CO 0.01 0.67 -0.73 -0.62 0.09 0.00 0.00 178.44 177.85 1h2x n GLU 55 N -3.68 0.22 -0.04 1.13 1.02 -0.20 -4.48 120.64 114.60 1h2x n GLU 55 Ca -0.01 -0.16 -0.10 0.00 -0.02 0.00 0.00 57.16 56.87 1h2x n GLU 55 Cb 0.67 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 1h2x n GLU 55 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1h2x h GLN 56 N 0.40 0.26 -6.82 3.49 4.15 -1.19 -3.43 115.11 111.98 1h2x h GLN 56 Ca 0.00 -0.02 -0.49 0.00 0.77 0.00 0.00 58.65 58.91 1h2x h GLN 56 Cb 0.53 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1h2x h GLN 56 CO 0.00 0.17 0.41 0.00 -1.93 0.00 0.00 178.83 177.49 1h2x h PRO 58 N 3.68 0.00 -0.24 0.00 0.11 -1.95 -3.08 132.00 130.52 1h2x h PRO 58 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1h2x h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1h2x h PRO 58 CO 0.66 0.00 0.16 0.97 -0.21 0.00 0.00 178.00 179.58 1h2x h ILE 59 N 0.00 1.05 -0.68 4.15 2.10 -1.94 -1.76 117.51 120.42 1h2x h ILE 59 Ca 0.00 -0.10 -0.01 0.00 1.08 0.00 0.00 64.86 65.83 1h2x h ILE 59 Cb 0.13 0.72 -0.03 0.00 -1.09 0.00 0.00 36.82 36.55 1h2x h ILE 59 CO 0.00 0.05 0.40 -0.09 -1.08 0.00 0.00 178.15 177.43 1h2x h ARG 60 N 0.30 0.94 -0.50 2.19 2.43 -1.80 0.25 114.38 118.19 1h2x h ARG 60 Ca 0.09 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1h2x h ARG 60 Cb -0.00 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1h2x h ARG 60 CO -0.02 0.68 -0.12 0.78 -1.51 0.00 0.00 179.97 179.79 1h2x h GLY 61 N 0.93 1.00 0.94 2.80 0.00 -1.57 0.63 103.07 107.81 1h2x h GLY 61 Ca 0.24 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 1h2x h GLY 61 CO -0.04 0.73 0.07 1.41 0.00 0.00 0.00 176.54 178.70 1h2x h LEU 62 N 0.82 0.65 -0.24 3.11 3.38 -0.79 -0.93 115.31 121.31 1h2x h LEU 62 Ca 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1h2x h LEU 62 Cb 0.65 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1h2x h LEU 62 CO 0.05 0.74 0.07 0.22 0.09 0.00 0.00 178.44 179.60 1h2x h TYR 63 N 0.53 0.39 -0.72 1.13 5.03 -0.35 -1.73 116.97 121.25 1h2x h TYR 63 Ca 0.13 -0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.41 1h2x h TYR 63 Cb 0.36 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.49 1h2x h TYR 63 CO 0.02 0.45 0.46 -0.22 -1.32 0.00 0.00 178.16 177.56 1h2x h LYS 64 N 0.21 0.89 -0.47 1.82 3.64 -0.74 0.20 116.57 122.12 1h2x h LYS 64 Ca 0.08 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1h2x h LYS 64 Cb 0.25 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1h2x h LYS 64 CO -0.00 0.59 0.19 1.49 -2.27 0.00 0.00 179.45 179.44 1h2x h GLU 65 N 0.92 0.70 -0.51 1.90 4.81 -1.07 0.21 114.58 121.54 1h2x h GLU 65 Ca 0.28 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 1h2x h GLU 65 Cb -0.03 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1h2x h GLU 65 CO -0.09 0.63 -0.13 -0.09 -0.73 0.00 0.00 179.01 178.60 1h2x h ARG 66 N 0.62 0.97 -0.53 1.92 9.65 -0.76 -1.58 114.38 124.67 1h2x h ARG 66 Ca 0.16 -0.36 -0.06 0.00 -1.10 0.00 0.00 59.98 58.61 1h2x h ARG 66 Cb 0.20 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1h2x h ARG 66 CO -0.01 1.03 0.08 1.98 2.80 0.00 0.00 179.97 185.85 1h2x h MET 67 N 0.86 0.88 -0.37 0.20 4.05 -0.39 -0.21 114.93 119.95 1h2x h MET 67 Ca 0.13 -0.24 -0.04 0.00 -0.28 0.00 0.00 59.70 59.27 1h2x h MET 67 Cb 0.68 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1h2x h MET 67 CO 0.05 0.86 0.05 1.15 0.23 0.00 0.00 176.91 179.25 1h2x h THR 68 N 0.76 1.19 0.07 -0.77 2.02 -0.70 0.13 112.91 115.61 1h2x h THR 68 Ca 0.16 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1h2x h THR 68 Cb 0.41 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1h2x h THR 68 CO 0.01 0.24 -0.03 -0.33 0.37 0.00 0.00 175.52 175.78 1h2x h GLU 69 N 0.53 -0.09 -0.11 6.66 5.08 -0.97 -3.19 114.58 122.50 1h2x h GLU 69 Ca 0.12 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 1h2x h GLU 69 Cb 0.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1h2x h GLU 69 CO 0.00 0.48 -0.57 -0.07 -1.00 0.00 0.00 179.01 177.85 1h2x h LEU 70 N -0.83 0.37 -0.37 1.33 3.38 -0.96 -2.76 115.31 115.47 1h2x h LEU 70 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1h2x h LEU 70 Cb 0.61 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1h2x h LEU 70 CO 0.02 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.41 1h2x n TYR 71 N -3.91 0.75 -2.41 1.13 9.36 0.46 -4.35 117.16 118.19 1h2x n TYR 71 Ca -0.03 0.26 -0.42 0.00 3.32 0.00 0.00 57.90 61.04 1h2x n TYR 71 Cb 0.60 -0.93 -0.00 0.00 -0.63 0.00 0.00 39.34 38.38 1h2x n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1h2x n ASP 72 N -2.16 4.64 -3.95 2.98 2.03 -1.04 -4.75 116.55 114.30 1h2x n ASP 72 Ca 0.04 -2.89 -0.10 0.00 0.52 0.00 0.00 54.79 52.36 1h2x n ASP 72 Cb 0.30 -1.73 -0.11 0.00 -0.72 0.00 0.00 41.12 38.86 1h2x n ASP 72 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1h2x s TYR 73 N 4.55 0.20 0.15 -0.67 -0.85 -1.26 -4.97 117.35 114.50 1h2x s TYR 73 Ca 0.54 -0.42 -0.31 0.00 -0.52 0.00 0.00 57.07 56.36 1h2x s TYR 73 Cb 0.05 -0.15 -0.11 0.00 0.38 0.00 0.00 41.96 42.14 1h2x s TYR 73 CO 0.06 -0.19 1.74 -1.25 -1.52 0.00 0.00 175.55 174.39 1h2x s PRO 74 N -1.32 4.15 -0.24 -3.49 0.04 -1.24 -3.93 135.00 128.97 1h2x s PRO 74 Ca -0.14 2.54 0.01 0.00 0.04 0.00 0.00 61.00 63.44 1h2x s PRO 74 Cb -0.09 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 31.11 1h2x s PRO 74 CO -0.01 -0.77 -0.11 0.15 0.04 0.00 0.00 177.00 176.30 1h2x s LYS 75 N 2.05 2.62 0.14 4.56 1.02 -0.46 -4.92 119.74 124.75 1h2x s LYS 75 Ca 0.77 -1.10 0.09 0.00 0.02 0.00 0.00 55.97 55.74 1h2x s LYS 75 Cb -0.46 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1h2x s LYS 75 CO 0.34 -0.43 -0.14 0.71 -0.92 0.00 0.00 175.35 174.91 1h2x s TYR 76 N 1.23 2.61 0.40 3.18 2.02 -1.26 -0.98 117.35 124.54 1h2x s TYR 76 Ca -0.03 -0.23 0.08 0.00 -0.37 0.00 0.00 57.07 56.52 1h2x s TYR 76 Cb -0.17 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1h2x s TYR 76 CO -0.06 0.44 0.39 -1.54 -1.57 0.00 0.00 175.55 173.21 1h2x s SER 77 N -2.40 5.22 0.62 2.29 1.04 -0.29 -4.99 113.70 115.20 1h2x s SER 77 Ca 0.21 -0.63 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 1h2x s SER 77 Cb -0.10 -0.69 -0.02 0.00 0.10 0.00 0.00 66.02 65.31 1h2x s SER 77 CO 0.13 -0.60 1.22 0.00 0.98 0.00 0.00 173.24 174.97 1h2x s HIS 79 N -1.63 2.96 -0.09 0.00 3.76 -1.26 -4.56 115.29 114.47 1h2x s HIS 79 Ca 0.78 1.56 -0.08 0.00 -0.15 0.00 0.00 55.06 57.16 1h2x s HIS 79 Cb -0.31 -3.07 0.02 0.00 1.11 0.00 0.00 32.58 30.33 1h2x s HIS 79 CO 0.36 -0.99 0.23 -0.59 -0.85 0.00 0.00 174.74 172.90 1h2x s PHE 80 N -2.09 -0.26 -0.14 1.40 -0.71 0.16 -4.67 117.98 111.68 1h2x s PHE 80 Ca 0.67 0.63 -0.09 0.00 -1.04 0.00 0.00 56.93 57.10 1h2x s PHE 80 Cb -0.17 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 1h2x s PHE 80 CO 0.25 -0.12 0.16 0.21 -1.34 0.00 0.00 175.22 174.38 1h2x s LYS 81 N 0.13 3.70 -0.12 1.99 2.20 -1.26 -0.46 119.74 125.92 1h2x s LYS 81 Ca -0.00 -0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.48 1h2x s LYS 81 Cb -0.02 -3.26 0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1h2x s LYS 81 CO 0.00 0.63 0.01 0.15 -0.36 0.00 0.00 175.35 175.78 1h2x s LYS 82 N -0.61 0.69 6.96 4.03 -0.14 -0.11 -4.99 119.74 125.58 1h2x s LYS 82 Ca 0.14 -0.13 0.00 0.00 -1.36 0.00 0.00 55.97 54.62 1h2x s LYS 82 Cb -0.12 -1.47 0.00 0.00 -1.68 0.00 0.00 37.83 34.55 1h2x s LYS 82 CO 0.03 -0.44 0.00 0.41 -0.76 0.00 0.00 175.35 174.59 1h2x n GLY 83 N 5.09 2.73 0.95 -3.33 0.00 -1.26 -1.97 105.19 107.42 1h2x n GLY 83 Ca -0.08 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.70 1h2x n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1h2x n LYS 84 N 13.55 2.31 -4.31 1.61 2.85 -1.26 -4.93 118.16 127.97 1h2x n LYS 84 Ca 0.00 -1.76 -0.19 0.00 -1.05 0.00 0.00 58.31 55.31 1h2x n LYS 84 Cb 0.00 -1.46 -0.11 0.00 -0.65 0.00 0.00 35.03 32.81 1h2x n LYS 84 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1h2x s ARG 85 N -1.47 1.22 0.05 -1.58 0.52 -0.83 -4.72 118.95 112.13 1h2x s ARG 85 Ca 0.32 -1.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.12 1h2x s ARG 85 Cb 0.18 -1.12 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 1h2x s ARG 85 CO 0.20 0.21 0.10 0.71 0.02 0.00 0.00 175.30 176.54 1h2x s TYR 86 N -2.45 3.27 0.06 -0.53 2.02 0.23 -0.94 117.35 119.01 1h2x s TYR 86 Ca 0.16 0.15 0.02 0.00 -0.37 0.00 0.00 57.07 57.03 1h2x s TYR 86 Cb -0.03 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1h2x s TYR 86 CO 0.05 0.54 -0.07 -0.06 -1.57 0.00 0.00 175.55 174.45 1h2x s PHE 87 N -1.35 0.73 -0.08 2.71 0.40 0.40 -0.99 117.98 119.80 1h2x s PHE 87 Ca 0.28 -0.68 -0.30 0.00 -0.60 0.00 0.00 56.93 55.63 1h2x s PHE 87 Cb -0.12 -0.43 0.10 0.00 0.51 0.00 0.00 43.02 43.07 1h2x s PHE 87 CO 0.20 -0.13 0.83 1.52 0.70 0.00 0.00 175.22 178.34 1h2x s TYR 88 N -2.35 -0.50 0.10 0.36 1.13 -0.86 -0.66 117.35 114.56 1h2x s TYR 88 Ca -0.01 0.79 -0.09 0.00 -1.41 0.00 0.00 57.07 56.34 1h2x s TYR 88 Cb -0.03 0.45 -0.06 0.00 -1.10 0.00 0.00 41.96 41.22 1h2x s TYR 88 CO -0.02 -0.51 0.41 -0.06 -2.51 0.00 0.00 175.55 172.87 1h2x s PHE 89 N -1.49 3.56 -0.23 -3.49 0.08 -1.26 -0.51 117.98 114.63 1h2x s PHE 89 Ca -0.05 0.77 -0.16 0.00 0.12 0.00 0.00 56.93 57.61 1h2x s PHE 89 Cb -0.00 -2.15 0.07 0.00 -0.57 0.00 0.00 43.02 40.36 1h2x s PHE 89 CO 0.03 0.48 0.57 -0.47 -0.10 0.00 0.00 175.22 175.74 1h2x s TYR 90 N -1.47 -0.78 -0.16 0.36 5.04 0.32 -1.13 117.35 119.52 1h2x s TYR 90 Ca 0.35 1.69 0.01 0.00 -2.44 0.00 0.00 57.07 56.69 1h2x s TYR 90 Cb -0.13 0.38 0.02 0.00 0.35 0.00 0.00 41.96 42.57 1h2x s TYR 90 CO 0.19 -0.40 -0.19 1.21 -1.34 0.00 0.00 175.55 175.02 1h2x s ASN 91 N 1.08 3.02 0.65 4.32 3.84 -0.15 -0.71 114.94 126.99 1h2x s ASN 91 Ca -0.06 -0.60 0.38 0.00 0.21 0.00 0.00 52.86 52.78 1h2x s ASN 91 Cb -0.06 -1.41 2.09 0.00 -0.55 0.00 0.00 41.25 41.33 1h2x s ASN 91 CO -0.10 0.01 2.23 0.71 -2.79 0.00 0.00 177.10 177.16 1h2x h THR 92 N 5.93 0.14 0.00 -5.21 1.35 -1.88 -1.21 112.91 112.03 1h2x h THR 92 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1h2x h THR 92 Cb 1.15 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1h2x h THR 92 CO 0.60 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1h2x n GLY 93 N -1.19 0.89 0.04 5.82 0.00 -1.25 -3.73 105.19 105.77 1h2x n GLY 93 Ca -0.02 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.09 1h2x n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h2x n LEU 94 N 0.00 2.11 -4.76 0.99 4.77 -1.26 -4.37 117.00 114.48 1h2x n LEU 94 Ca 0.00 -2.48 -0.38 0.00 -0.03 0.00 0.00 56.01 53.12 1h2x n LEU 94 Cb 0.00 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1h2x n LEU 94 CO 0.00 0.59 0.92 -1.10 -1.33 0.00 0.00 177.39 176.47 1h2x s GLN 95 N -1.88 3.48 0.31 3.23 -0.21 -1.26 -4.82 119.66 118.51 1h2x s GLN 95 Ca 0.15 2.05 -0.00 0.00 0.02 0.00 0.00 55.36 57.59 1h2x s GLN 95 Cb 0.13 -2.38 0.49 0.00 1.00 0.00 0.00 33.01 32.26 1h2x s GLN 95 CO 0.01 -0.86 1.92 -0.91 -2.12 0.00 0.00 175.29 173.34 1h2x h ASN 96 N 1.83 0.80 -4.21 5.90 2.35 -1.95 -3.40 115.58 116.91 1h2x h ASN 96 Ca -0.50 -0.07 -0.39 0.00 -0.55 0.00 0.00 56.30 54.79 1h2x h ASN 96 Cb 1.27 -0.20 -0.27 0.00 0.05 0.00 0.00 38.32 39.17 1h2x h ASN 96 CO 0.59 0.66 -0.77 -1.10 -1.65 0.00 0.00 177.43 175.16 1h2x s GLN 97 N -5.56 0.74 0.60 0.81 -1.52 -1.26 -1.56 119.66 111.91 1h2x s GLN 97 Ca -0.10 -0.49 -0.17 0.00 -1.95 0.00 0.00 55.36 52.65 1h2x s GLN 97 Cb 0.17 -0.69 -0.03 0.00 -0.22 0.00 0.00 33.01 32.24 1h2x s GLN 97 CO 0.79 0.18 1.12 -0.98 -0.25 0.00 0.00 175.29 176.14 1h2x s ARG 98 N -0.64 3.07 -0.04 2.91 1.70 -1.26 -4.73 118.95 119.96 1h2x s ARG 98 Ca 0.01 1.50 0.00 0.00 -0.47 0.00 0.00 55.73 56.77 1h2x s ARG 98 Cb -0.05 -1.98 -0.03 0.00 -0.57 0.00 0.00 34.95 32.31 1h2x s ARG 98 CO 0.00 -1.05 -0.00 0.08 -1.08 0.00 0.00 175.30 173.24 1h2x s VAL 99 N -2.07 4.18 -0.22 4.99 1.01 0.11 -4.54 120.40 123.86 1h2x s VAL 99 Ca 0.70 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 1h2x s VAL 99 Cb -0.22 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1h2x s VAL 99 CO 0.34 0.48 0.47 -0.22 0.00 0.00 0.00 175.10 176.18 1h2x s LEU 100 N -1.24 4.12 0.23 3.92 2.96 -0.26 -0.52 118.68 127.88 1h2x s LEU 100 Ca 0.17 0.56 0.08 0.00 -0.22 0.00 0.00 54.13 54.72 1h2x s LEU 100 Cb -0.11 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 1h2x s LEU 100 CO 0.07 -0.18 0.06 -0.31 -1.32 0.00 0.00 176.35 174.67 1h2x s TYR 101 N 1.75 2.88 0.02 5.38 1.51 0.33 -0.16 117.35 129.06 1h2x s TYR 101 Ca 0.21 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.14 1h2x s TYR 101 Cb -0.15 -1.32 -0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1h2x s TYR 101 CO 0.09 0.56 -0.07 0.54 -1.11 0.00 0.00 175.55 175.56 1h2x s VAL 102 N -2.07 0.48 -0.02 0.71 0.11 -0.26 -2.03 120.40 117.32 1h2x s VAL 102 Ca 0.31 -0.72 -0.11 0.00 -2.93 0.00 0.00 61.98 58.53 1h2x s VAL 102 Cb -0.08 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1h2x s VAL 102 CO 0.21 -0.17 0.23 0.00 -3.33 0.00 0.00 175.10 172.04 1h2x s GLN 103 N -0.97 0.55 0.00 1.54 -2.07 -0.16 -0.87 119.66 117.69 1h2x s GLN 103 Ca -0.05 -0.21 0.30 0.00 -1.82 0.00 0.00 55.36 53.57 1h2x s GLN 103 Cb -0.07 0.24 1.37 0.00 -1.09 0.00 0.00 33.01 33.46 1h2x s GLN 103 CO 0.00 -0.14 1.97 -0.25 -1.32 0.00 0.00 175.29 175.55 1h2x n ASP 104 N 1.55 0.10 -3.53 12.60 8.00 -1.26 -0.60 116.55 133.40 1h2x n ASP 104 Ca -0.21 -0.07 -0.08 0.00 0.71 0.00 0.00 54.79 55.14 1h2x n ASP 104 Cb 0.56 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 1h2x n ASP 104 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1h2x s SER 105 N -2.67 -0.32 0.53 -2.24 1.04 -1.26 -4.76 113.70 104.02 1h2x s SER 105 Ca 0.25 0.03 0.18 0.00 0.48 0.00 0.00 55.95 56.88 1h2x s SER 105 Cb 0.20 0.33 1.34 0.00 0.10 0.00 0.00 66.02 67.98 1h2x s SER 105 CO 0.49 -0.52 2.15 -0.07 0.98 0.00 0.00 173.24 176.28 1h2x h LEU 106 N 2.04 0.00 -1.40 2.42 3.38 -1.99 -0.59 115.31 119.16 1h2x h LEU 106 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1h2x h LEU 106 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1h2x h LEU 106 CO 0.29 0.02 -0.13 -0.62 0.09 0.00 0.00 178.44 178.09 1h2x n GLU 107 N -4.41 1.82 -1.86 1.13 1.02 -1.26 -4.97 120.64 112.11 1h2x n GLU 107 Ca -0.03 -1.40 -0.31 0.00 -0.02 0.00 0.00 57.16 55.40 1h2x n GLU 107 Cb 0.10 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1h2x n GLU 107 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1h2x s GLY 108 N -2.15 1.66 0.08 0.62 0.00 -0.23 -5.01 107.32 102.28 1h2x s GLY 108 Ca 0.28 -0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.60 1h2x s GLY 108 CO 0.39 0.18 1.30 1.85 0.00 0.00 0.00 173.10 176.81 1h2x s GLU 109 N -5.18 4.37 0.32 2.90 2.12 -1.26 -4.83 118.70 117.14 1h2x s GLU 109 Ca 0.55 1.91 -0.13 0.00 0.36 0.00 0.00 54.97 57.67 1h2x s GLU 109 Cb -0.11 -3.32 -0.08 0.00 0.26 0.00 0.00 34.13 30.88 1h2x s GLU 109 CO 0.54 -0.36 0.70 0.00 -0.54 0.00 0.00 175.26 175.60 1h2x s ALA 110 N 1.19 3.38 0.06 6.30 0.00 -1.26 -4.56 121.76 126.86 1h2x s ALA 110 Ca 0.62 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1h2x s ALA 110 Cb -0.33 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1h2x s ALA 110 CO 0.29 0.31 -0.06 -0.98 0.00 0.00 0.00 175.76 175.33 1h2x s ARG 111 N -3.09 0.59 0.16 0.00 1.70 -0.04 -4.96 118.95 113.31 1h2x s ARG 111 Ca 0.52 -0.96 -0.32 0.00 -0.47 0.00 0.00 55.73 54.51 1h2x s ARG 111 Cb -0.10 -0.14 -0.10 0.00 -0.57 0.00 0.00 34.95 34.03 1h2x s ARG 111 CO 0.20 -0.00 1.57 0.08 -1.08 0.00 0.00 175.30 176.07 1h2x s VAL 112 N -2.34 2.63 -0.20 4.99 1.01 -1.26 -1.11 120.40 124.12 1h2x s VAL 112 Ca -0.03 0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 1h2x s VAL 112 Cb -0.03 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1h2x s VAL 112 CO -0.03 0.03 -0.25 0.33 0.00 0.00 0.00 175.10 175.19 1h2x n PHE 113 N 4.03 0.00 -3.60 5.22 7.35 0.78 -4.82 117.46 126.42 1h2x n PHE 113 Ca 0.14 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.65 1h2x n PHE 113 Cb 0.39 -0.73 -0.15 0.00 0.35 0.00 0.00 39.48 39.34 1h2x n PHE 113 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1h2x s LEU 114 N -6.96 -0.05 -0.44 -2.13 2.96 -0.54 -4.98 118.68 106.55 1h2x s LEU 114 Ca -0.28 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1h2x s LEU 114 Cb 0.10 0.27 0.12 0.00 0.50 0.00 0.00 46.19 47.18 1h2x s LEU 114 CO 0.37 -0.29 0.24 -0.62 -1.32 0.00 0.00 176.35 174.74 1h2x s ASP 115 N 2.29 5.33 0.47 3.68 -1.08 -1.26 -1.10 116.67 125.00 1h2x s ASP 115 Ca 0.04 -2.08 0.32 0.00 -0.52 0.00 0.00 52.55 50.31 1h2x s ASP 115 Cb -0.14 -1.86 1.48 0.00 -1.46 0.00 0.00 42.92 40.94 1h2x s ASP 115 CO -0.09 -0.56 1.95 -0.65 0.52 0.00 0.00 175.17 176.35 1h2x h PRO 116 N 8.04 0.00 0.00 4.34 0.11 -1.89 -3.04 132.00 139.55 1h2x h PRO 116 Ca -0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1h2x h PRO 116 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1h2x h PRO 116 CO 0.72 0.00 -0.06 -0.91 -0.21 0.00 0.00 178.00 177.54 1h2x h ASN 117 N 0.00 0.00 0.26 -2.05 2.35 -1.87 -1.03 115.58 113.24 1h2x h ASN 117 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1h2x h ASN 117 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1h2x h ASN 117 CO 0.00 0.06 -0.00 2.30 -1.65 0.00 0.00 177.43 178.14 1h2x n ILE 118 N -4.45 0.00 0.91 2.81 -5.35 -1.15 -3.32 119.36 108.82 1h2x n ILE 118 Ca -0.03 -0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.57 1h2x n ILE 118 Cb 0.14 -0.47 0.40 0.00 -1.74 0.00 0.00 39.64 37.97 1h2x n ILE 118 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1h2x n LEU 119 N -1.11 0.36 -3.61 7.28 4.77 -0.39 -4.88 117.00 119.42 1h2x n LEU 119 Ca 0.19 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.33 1h2x n LEU 119 Cb 0.18 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1h2x n LEU 119 CO 0.20 0.03 0.61 -0.94 -1.33 0.00 0.00 177.39 175.96 1h2x s SER 120 N -3.29 -0.56 0.25 -1.43 1.04 -1.21 -4.88 113.70 103.63 1h2x s SER 120 Ca 0.12 0.97 -0.05 0.00 0.48 0.00 0.00 55.95 57.47 1h2x s SER 120 Cb 0.17 0.95 0.32 0.00 0.10 0.00 0.00 66.02 67.56 1h2x s SER 120 CO 0.63 -0.26 1.87 0.44 0.98 0.00 0.00 173.24 176.90 1h2x h ASP 121 N 4.10 0.94 -0.20 7.02 5.19 -1.90 -2.96 116.42 128.61 1h2x h ASP 121 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1h2x h ASP 121 Cb 1.16 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1h2x h ASP 121 CO 0.15 0.62 0.00 -0.90 -3.12 0.00 0.00 179.24 175.99 1h2x n ASP 122 N -4.55 3.00 -0.85 6.45 5.68 -1.26 -4.97 116.55 120.05 1h2x n ASP 122 Ca 0.13 -1.94 -0.09 0.00 -0.50 0.00 0.00 54.79 52.38 1h2x n ASP 122 Cb 0.14 -0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 39.98 1h2x n ASP 122 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h2x n GLY 123 N 1.39 0.53 0.54 6.12 0.00 -1.12 -4.81 105.19 107.85 1h2x n GLY 123 Ca 0.17 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.70 1h2x n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h2x n THR 124 N -3.38 0.28 -3.82 2.61 -2.24 -1.26 -4.09 114.28 102.37 1h2x n THR 124 Ca -0.10 -0.36 -0.36 0.00 -2.27 0.00 0.00 64.05 60.96 1h2x n THR 124 Cb 0.44 0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.82 1h2x n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1h2x s VAL 125 N -1.72 3.96 0.11 2.28 1.01 -1.26 -0.20 120.40 124.57 1h2x s VAL 125 Ca 0.28 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1h2x s VAL 125 Cb 0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1h2x s VAL 125 CO 0.22 0.37 -0.13 0.00 0.00 0.00 0.00 175.10 175.57 1h2x s ALA 126 N 1.53 1.33 0.19 5.51 0.00 -0.42 -4.81 121.76 125.10 1h2x s ALA 126 Ca 0.06 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 1h2x s ALA 126 Cb -0.15 -0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 1h2x s ALA 126 CO 0.01 0.05 1.25 -1.17 0.00 0.00 0.00 175.76 175.90 1h2x s LEU 127 N -2.40 4.43 -0.35 0.00 2.96 -1.26 -1.00 118.68 121.06 1h2x s LEU 127 Ca 0.07 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.30 1h2x s LEU 127 Cb -0.05 -3.61 0.14 0.00 0.50 0.00 0.00 46.19 43.18 1h2x s LEU 127 CO 0.02 -0.44 0.21 -0.60 -1.32 0.00 0.00 176.35 174.22 1h2x s ARG 128 N -0.23 0.55 0.00 1.98 3.52 0.19 -4.85 118.95 120.11 1h2x s ARG 128 Ca 0.54 -1.33 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 1h2x s ARG 128 Cb -0.34 -1.30 0.00 0.00 -1.56 0.00 0.00 34.95 31.74 1h2x s ARG 128 CO 0.38 -1.21 0.00 0.41 -0.81 0.00 0.00 175.30 174.07 1h2x n GLY 129 N 4.04 -0.98 3.54 8.12 0.00 -1.26 -3.76 105.19 114.89 1h2x n GLY 129 Ca 0.12 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 1h2x n GLY 129 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h2x s TYR 130 N -3.12 -0.37 -0.25 1.61 -0.85 -1.26 -0.71 117.35 112.40 1h2x s TYR 130 Ca 0.00 0.16 -0.13 0.00 -0.52 0.00 0.00 57.07 56.58 1h2x s TYR 130 Cb 0.00 0.57 0.08 0.00 0.38 0.00 0.00 41.96 43.00 1h2x s TYR 130 CO 0.00 -0.75 0.59 0.00 -1.52 0.00 0.00 175.55 173.87 1h2x s ALA 131 N -3.43 -1.61 0.17 9.51 0.00 0.08 -4.93 121.76 121.55 1h2x s ALA 131 Ca 0.05 2.10 -0.10 0.00 0.00 0.00 0.00 51.96 54.00 1h2x s ALA 131 Cb -0.01 -1.33 -0.07 0.00 0.00 0.00 0.00 23.12 21.71 1h2x s ALA 131 CO -0.08 -0.45 0.51 -0.06 0.00 0.00 0.00 175.76 175.69 1h2x s PHE 132 N 1.81 3.50 0.87 0.00 0.40 -1.26 -0.63 117.98 122.67 1h2x s PHE 132 Ca -0.09 0.88 -0.10 0.00 -0.60 0.00 0.00 56.93 57.02 1h2x s PHE 132 Cb -0.07 -2.25 0.12 0.00 0.51 0.00 0.00 43.02 41.32 1h2x s PHE 132 CO -0.17 0.37 1.12 -1.54 0.70 0.00 0.00 175.22 175.70 1h2x s SER 133 N -2.09 3.48 0.29 1.36 1.04 0.02 -4.71 113.70 113.09 1h2x s SER 133 Ca 0.42 2.02 0.03 0.00 0.48 0.00 0.00 55.95 58.90 1h2x s SER 133 Cb -0.13 -2.53 0.61 0.00 0.10 0.00 0.00 66.02 64.06 1h2x s SER 133 CO 0.20 -2.72 1.84 -0.08 0.98 0.00 0.00 173.24 173.46 1h2x h GLU 134 N -1.60 0.91 -0.00 4.02 4.57 -1.87 0.54 114.58 121.15 1h2x h GLU 134 Ca -0.44 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1h2x h GLU 134 Cb 1.26 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1h2x h GLU 134 CO 0.46 0.60 -0.01 -0.40 -1.18 0.00 0.00 179.01 178.47 1h2x n ASP 135 N -4.62 0.37 -0.03 1.04 5.68 -1.26 -4.59 116.55 113.14 1h2x n ASP 135 Ca 0.19 -0.98 -0.00 0.00 -0.50 0.00 0.00 54.79 53.50 1h2x n ASP 135 Cb 0.39 -0.03 -0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1h2x n ASP 135 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h2x n GLY 136 N 1.10 0.35 0.04 6.12 0.00 0.18 -4.01 105.19 108.96 1h2x n GLY 136 Ca 0.21 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1h2x n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h2x n GLU 137 N -1.59 0.23 -4.24 1.61 -0.58 -1.26 -4.74 120.64 110.07 1h2x n GLU 137 Ca -0.00 0.03 -0.19 0.00 -0.42 0.00 0.00 57.16 56.57 1h2x n GLU 137 Cb 0.19 -1.60 -0.11 0.00 -0.57 0.00 0.00 31.44 29.34 1h2x n GLU 137 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1h2x s TYR 138 N -3.15 1.43 -0.04 -0.32 1.51 -1.26 -0.55 117.35 114.97 1h2x s TYR 138 Ca 0.06 -0.53 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 1h2x s TYR 138 Cb 0.15 -0.76 0.03 0.00 -0.11 0.00 0.00 41.96 41.27 1h2x s TYR 138 CO 0.76 0.15 0.09 0.12 -1.11 0.00 0.00 175.55 175.56 1h2x s PHE 139 N -1.94 -0.07 -0.04 2.71 5.36 -0.12 -0.80 117.98 123.08 1h2x s PHE 139 Ca 0.08 0.30 0.03 0.00 -0.96 0.00 0.00 56.93 56.38 1h2x s PHE 139 Cb -0.06 -0.14 -0.03 0.00 -0.34 0.00 0.00 43.02 42.45 1h2x s PHE 139 CO 0.03 -0.12 -0.13 0.00 -1.46 0.00 0.00 175.22 173.55 1h2x s ALA 140 N 1.03 2.75 -0.08 11.12 0.00 0.20 -0.70 121.76 136.08 1h2x s ALA 140 Ca -0.08 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 1h2x s ALA 140 Cb -0.11 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.02 1h2x s ALA 140 CO -0.04 0.57 0.26 1.52 0.00 0.00 0.00 175.76 178.06 1h2x s TYR 141 N -0.78 -0.24 0.05 0.00 1.13 -0.26 -0.74 117.35 116.51 1h2x s TYR 141 Ca 0.12 0.56 -0.08 0.00 -1.41 0.00 0.00 57.07 56.26 1h2x s TYR 141 Cb -0.11 0.08 -0.05 0.00 -1.10 0.00 0.00 41.96 40.78 1h2x s TYR 141 CO 0.02 -0.19 0.35 0.20 -2.51 0.00 0.00 175.55 173.41 1h2x s GLY 142 N -0.24 2.30 -0.07 5.49 0.00 0.11 -0.65 107.32 114.27 1h2x s GLY 142 Ca -0.04 -0.47 0.04 0.00 0.00 0.00 0.00 44.72 44.26 1h2x s GLY 142 CO 0.01 -0.27 -0.19 1.08 0.00 0.00 0.00 173.10 173.73 1h2x s LEU 143 N -1.88 1.92 -0.03 0.66 1.43 0.11 -0.64 118.68 120.26 1h2x s LEU 143 Ca 0.31 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 1h2x s LEU 143 Cb -0.14 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 1h2x s LEU 143 CO 0.18 0.14 -0.25 -0.44 0.23 0.00 0.00 176.35 176.21 1h2x s SER 144 N 0.23 3.15 -0.08 2.29 0.01 -0.17 -1.39 113.70 117.74 1h2x s SER 144 Ca -0.10 -0.45 -0.00 0.00 1.31 0.00 0.00 55.95 56.71 1h2x s SER 144 Cb -0.15 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 1h2x s SER 144 CO 0.05 0.31 -0.05 0.00 0.41 0.00 0.00 173.24 173.96 1h2x s ALA 145 N -0.57 3.03 -1.71 1.44 0.00 -1.26 -1.31 121.76 121.38 1h2x s ALA 145 Ca 0.09 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1h2x s ALA 145 Cb -0.10 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1h2x s ALA 145 CO -0.00 0.52 0.00 0.43 0.00 0.00 0.00 175.76 176.71 1h2x n SER 146 N 2.41 -5.28 0.00 0.00 7.64 0.72 -2.17 113.62 116.95 1h2x n SER 146 Ca -0.18 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1h2x n SER 146 Cb 0.53 -4.49 0.00 0.00 -1.01 0.00 0.00 64.21 59.24 1h2x n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h2x n GLY 147 N -0.79 0.92 3.76 0.23 0.00 -1.26 -2.49 105.19 105.56 1h2x n GLY 147 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1h2x n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h2x s SER 148 N -2.89 5.06 0.48 1.61 0.15 -0.92 -4.01 113.70 113.17 1h2x s SER 148 Ca 0.00 2.19 0.29 0.00 0.70 0.00 0.00 55.95 59.14 1h2x s SER 148 Cb 0.00 -2.58 0.98 0.00 -1.71 0.00 0.00 66.02 62.72 1h2x s SER 148 CO 0.00 -1.67 1.83 0.44 1.20 0.00 0.00 173.24 175.04 1h2x h ASP 149 N 0.38 0.00 -3.97 5.45 3.32 -1.91 -3.42 116.42 116.28 1h2x h ASP 149 Ca -0.48 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.03 1h2x h ASP 149 Cb 1.27 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.93 1h2x h ASP 149 CO 0.54 0.00 0.72 0.26 -1.72 0.00 0.00 179.24 179.04 1h2x s TRP 150 N -3.47 2.52 0.04 4.55 0.52 -1.26 -4.56 118.94 117.28 1h2x s TRP 150 Ca 0.04 1.25 0.05 0.00 0.02 0.00 0.00 56.10 57.45 1h2x s TRP 150 Cb 0.08 -3.94 -0.02 0.00 -1.15 0.00 0.00 33.47 28.44 1h2x s TRP 150 CO 0.57 -2.90 -0.14 0.08 0.02 0.00 0.00 176.95 174.58 1h2x s VAL 151 N -1.18 1.11 -0.17 4.03 1.01 0.23 -4.35 120.40 121.08 1h2x s VAL 151 Ca 0.58 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1h2x s VAL 151 Cb -0.44 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1h2x s VAL 151 CO 0.58 0.01 -0.17 -0.89 0.00 0.00 0.00 175.10 174.62 1h2x s THR 152 N -0.85 2.37 -0.17 3.92 2.01 -0.49 -3.16 115.64 119.27 1h2x s THR 152 Ca 0.02 -0.85 -0.16 0.00 0.31 0.00 0.00 61.69 61.00 1h2x s THR 152 Cb -0.08 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1h2x s THR 152 CO 0.01 0.52 0.40 -0.63 -0.69 0.00 0.00 174.62 174.24 1h2x s ILE 153 N 1.10 5.21 0.38 1.82 1.01 -0.19 -0.71 121.20 129.83 1h2x s ILE 153 Ca 0.00 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.48 1h2x s ILE 153 Cb -0.14 -3.74 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 1h2x s ILE 153 CO -0.06 0.29 -0.01 -0.54 0.00 0.00 0.00 174.94 174.62 1h2x s LYS 154 N 1.01 1.95 0.09 2.79 1.02 0.17 -0.80 119.74 125.98 1h2x s LYS 154 Ca 0.20 -1.99 0.04 0.00 0.02 0.00 0.00 55.97 54.25 1h2x s LYS 154 Cb -0.14 -1.73 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1h2x s LYS 154 CO 0.08 0.03 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.37 1h2x s PHE 155 N -2.64 1.07 -0.01 3.18 0.40 -1.24 -1.10 117.98 117.64 1h2x s PHE 155 Ca 0.35 -0.63 -0.08 0.00 -0.60 0.00 0.00 56.93 55.97 1h2x s PHE 155 Cb 0.06 -0.59 0.01 0.00 0.51 0.00 0.00 43.02 43.01 1h2x s PHE 155 CO 0.18 0.01 0.16 -1.64 0.70 0.00 0.00 175.22 174.63 1h2x s MET 156 N -2.66 0.46 -0.16 0.44 -1.94 0.12 -1.53 119.30 114.04 1h2x s MET 156 Ca 0.04 -0.28 -0.19 0.00 -1.71 0.00 0.00 55.69 53.55 1h2x s MET 156 Cb -0.04 0.20 -0.04 0.00 2.01 0.00 0.00 34.83 36.96 1h2x s MET 156 CO 0.00 -0.11 0.51 0.21 -0.01 0.00 0.00 175.02 175.63 1h2x s LYS 157 N -1.16 4.26 0.13 2.03 2.20 0.27 -0.94 119.74 126.52 1h2x s LYS 157 Ca -0.12 0.45 -0.19 0.00 -0.36 0.00 0.00 55.97 55.74 1h2x s LYS 157 Cb -0.06 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1h2x s LYS 157 CO 0.02 -0.02 1.76 0.28 -0.36 0.00 0.00 175.35 177.02 1h2x h VAL 158 N 4.95 0.99 -2.50 4.02 2.07 -1.13 -1.35 116.25 123.31 1h2x h VAL 158 Ca -0.37 -0.08 -0.57 0.00 0.82 0.00 0.00 66.70 66.51 1h2x h VAL 158 Cb 1.16 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1h2x h VAL 158 CO 0.75 0.04 1.26 -0.62 0.02 0.00 0.00 177.57 179.02 1h2x s ASP 159 N -5.34 6.06 0.00 0.57 2.15 -1.26 -0.95 116.67 117.90 1h2x s ASP 159 Ca -0.13 1.78 0.00 0.00 0.43 0.00 0.00 52.55 54.63 1h2x s ASP 159 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1h2x s ASP 159 CO 0.69 -1.49 0.00 0.61 -0.17 0.00 0.00 175.17 174.81 1h2x n GLY 160 N 5.07 1.09 3.94 2.66 0.00 -1.26 -4.25 105.19 112.43 1h2x n GLY 160 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1h2x n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h2x n ALA 161 N -0.27 -2.08 -2.71 4.61 0.00 -0.13 -4.90 120.51 115.03 1h2x n ALA 161 Ca 0.00 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1h2x n ALA 161 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 19.45 17.68 1h2x n ALA 161 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1h2x s LYS 162 N -6.53 4.45 0.20 0.00 -0.14 -0.52 -4.87 119.74 112.32 1h2x s LYS 162 Ca 0.06 1.08 -0.30 0.00 -1.36 0.00 0.00 55.97 55.45 1h2x s LYS 162 Cb -0.02 -3.47 -0.08 0.00 -1.68 0.00 0.00 37.83 32.57 1h2x s LYS 162 CO 0.89 -0.04 1.17 -1.21 -0.76 0.00 0.00 175.35 175.39 1h2x s GLU 163 N 1.11 4.53 0.25 1.68 0.41 -1.26 -0.57 118.70 124.85 1h2x s GLU 163 Ca 0.42 1.84 0.07 0.00 -0.41 0.00 0.00 54.97 56.89 1h2x s GLU 163 Cb -0.19 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 28.89 1h2x s GLU 163 CO 0.20 -0.02 0.17 -0.51 -0.49 0.00 0.00 175.26 174.62 1h2x s LEU 164 N -0.43 3.74 0.43 1.80 1.43 -0.58 -4.88 118.68 120.20 1h2x s LEU 164 Ca 0.51 -0.29 0.28 0.00 -1.03 0.00 0.00 54.13 53.59 1h2x s LEU 164 Cb -0.32 -2.28 0.87 0.00 0.03 0.00 0.00 46.19 44.50 1h2x s LEU 164 CO 0.37 -0.03 1.79 1.55 0.23 0.00 0.00 176.35 180.26 1h2x h PRO 165 N 1.56 0.00 -6.54 1.29 0.13 -1.96 -3.42 132.00 123.06 1h2x h PRO 165 Ca -0.48 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 1h2x h PRO 165 Cb 1.24 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.43 1h2x h PRO 165 CO 0.61 0.00 0.88 -0.25 -0.23 0.00 0.00 178.00 179.00 1h2x n ASP 166 N -2.89 3.37 -3.75 1.44 9.92 -1.26 -5.00 116.55 118.39 1h2x n ASP 166 Ca 0.03 1.07 -0.15 0.00 -0.53 0.00 0.00 54.79 55.20 1h2x n ASP 166 Cb 0.40 -1.47 -0.16 0.00 -0.64 0.00 0.00 41.12 39.25 1h2x n ASP 166 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1h2x s VAL 167 N 1.16 -0.07 -0.18 2.53 1.01 -1.26 -3.63 120.40 119.97 1h2x s VAL 167 Ca 0.78 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 1h2x s VAL 167 Cb -0.63 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 1h2x s VAL 167 CO 0.37 0.10 -0.12 -0.76 0.00 0.00 0.00 175.10 174.68 1h2x s LEU 168 N 1.28 2.57 0.41 3.92 1.43 0.02 -4.56 118.68 123.76 1h2x s LEU 168 Ca -0.07 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1h2x s LEU 168 Cb -0.12 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1h2x s LEU 168 CO -0.04 0.05 0.35 -1.61 0.23 0.00 0.00 176.35 175.33 1h2x s GLU 169 N 1.05 2.50 -1.30 1.70 0.41 -1.26 -1.02 118.70 120.78 1h2x s GLU 169 Ca -0.01 -1.57 0.00 0.00 -0.41 0.00 0.00 54.97 52.99 1h2x s GLU 169 Cb -0.15 -2.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.87 1h2x s GLU 169 CO -0.03 -0.17 0.00 0.54 -0.49 0.00 0.00 175.26 175.11 1h2x n ARG 170 N -1.50 -0.89 -3.08 1.61 5.12 -1.26 -4.87 116.66 111.78 1h2x n ARG 170 Ca 0.03 0.89 -0.39 0.00 -1.93 0.00 0.00 57.85 56.45 1h2x n ARG 170 Cb 0.62 -4.95 -0.05 0.00 -1.16 0.00 0.00 32.46 26.92 1h2x n ARG 170 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1h2x s VAL 171 N -2.49 4.87 -0.28 1.55 1.01 -1.19 -1.10 120.40 122.77 1h2x s VAL 171 Ca 0.00 1.44 -0.23 0.00 0.00 0.00 0.00 61.98 63.19 1h2x s VAL 171 Cb 0.00 -4.03 0.09 0.00 0.00 0.00 0.00 36.38 32.44 1h2x s VAL 171 CO 0.00 0.36 0.81 -0.75 0.00 0.00 0.00 175.10 175.52 1h2x s LYS 172 N 0.08 0.71 -1.37 2.72 2.20 -1.26 -0.60 119.74 122.22 1h2x s LYS 172 Ca 0.35 0.91 -0.01 0.00 -0.36 0.00 0.00 55.97 56.86 1h2x s LYS 172 Cb -0.19 0.31 -0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1h2x s LYS 172 CO 0.20 -0.10 0.49 1.19 -0.36 0.00 0.00 175.35 176.77 1h2x n PHE 173 N 2.85 -1.71 -4.07 4.03 3.72 -1.26 -4.75 117.46 116.26 1h2x n PHE 173 Ca -0.15 0.75 -0.31 0.00 -0.05 0.00 0.00 57.45 57.70 1h2x n PHE 173 Cb 0.56 -3.87 -0.07 0.00 -0.94 0.00 0.00 39.48 35.16 1h2x n PHE 173 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1h2x s SER 174 N -4.34 5.56 0.57 4.37 0.15 -1.26 -4.92 113.70 113.83 1h2x s SER 174 Ca 0.02 0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.66 1h2x s SER 174 Cb -0.01 -1.52 0.01 0.00 -1.71 0.00 0.00 66.02 62.79 1h2x s SER 174 CO 0.87 0.20 0.87 0.00 1.20 0.00 0.00 173.24 176.39 1h2x s MET 176 N -4.93 0.21 -0.14 0.00 -1.94 -1.25 -4.07 119.30 107.18 1h2x s MET 176 Ca 0.53 0.32 -0.04 0.00 -1.71 0.00 0.00 55.69 54.80 1h2x s MET 176 Cb -0.10 -0.94 0.07 0.00 2.01 0.00 0.00 34.83 35.86 1h2x s MET 176 CO 0.44 -0.61 0.21 0.00 -0.01 0.00 0.00 175.02 175.05 1h2x s ALA 177 N 2.38 -0.32 0.16 3.03 0.00 -0.76 -4.81 121.76 121.44 1h2x s ALA 177 Ca 0.07 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 1h2x s ALA 177 Cb -0.15 -1.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.82 1h2x s ALA 177 CO -0.12 -0.84 0.88 -1.58 0.00 0.00 0.00 175.76 174.10 1h2x s TRP 178 N 2.34 3.89 0.52 0.00 0.52 -1.26 -0.29 118.94 124.67 1h2x s TRP 178 Ca 0.04 1.76 -0.19 0.00 0.02 0.00 0.00 56.10 57.73 1h2x s TRP 178 Cb -0.13 -2.93 -0.07 0.00 -1.15 0.00 0.00 33.47 29.19 1h2x s TRP 178 CO -0.09 0.38 1.08 0.95 0.02 0.00 0.00 176.95 179.30 1h2x s THR 179 N -0.72 3.47 -0.86 2.01 -4.23 -0.61 -4.79 115.64 109.92 1h2x s THR 179 Ca 0.41 0.90 0.17 0.00 -1.18 0.00 0.00 61.69 61.99 1h2x s THR 179 Cb -0.24 -3.36 0.16 0.00 1.34 0.00 0.00 72.50 70.40 1h2x s THR 179 CO 0.29 -0.22 1.53 1.41 -0.54 0.00 0.00 174.62 177.09 1h2x n HIS 180 N -1.23 0.23 1.43 3.99 -0.00 -1.26 -1.33 115.22 117.04 1h2x n HIS 180 Ca 0.10 0.09 0.14 0.00 -0.00 0.00 0.00 57.72 58.06 1h2x n HIS 180 Cb 0.52 -0.64 0.75 0.00 -0.00 0.00 0.00 29.99 30.61 1h2x n HIS 180 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1h2x n ASP 181 N -1.71 0.00 -0.16 0.41 5.75 -1.26 -4.89 116.55 114.70 1h2x n ASP 181 Ca 0.03 -0.22 -0.02 0.00 -0.01 0.00 0.00 54.79 54.57 1h2x n ASP 181 Cb 0.19 -0.25 -0.01 0.00 -1.03 0.00 0.00 41.12 40.02 1h2x n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h2x n GLY 182 N 1.14 0.46 0.12 6.12 0.00 -0.44 -4.91 105.19 107.68 1h2x n GLY 182 Ca 0.15 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1h2x n GLY 182 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1h2x h LYS 183 N 0.43 0.29 0.00 1.61 3.64 -1.91 -3.47 116.57 117.16 1h2x h LYS 183 Ca -0.04 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1h2x h LYS 183 Cb 0.48 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1h2x h LYS 183 CO 0.06 1.15 0.01 0.41 -2.27 0.00 0.00 179.45 178.80 1h2x n GLY 184 N 1.28 1.33 2.95 5.01 0.00 -1.26 -1.24 105.19 113.26 1h2x n GLY 184 Ca -0.07 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1h2x n GLY 184 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1h2x s MET 185 N -2.00 0.09 0.30 1.61 1.75 0.02 -1.57 119.30 119.51 1h2x s MET 185 Ca 0.00 0.13 -0.23 0.00 -1.25 0.00 0.00 55.69 54.34 1h2x s MET 185 Cb -0.00 0.02 -0.09 0.00 2.84 0.00 0.00 34.83 37.60 1h2x s MET 185 CO 0.00 -0.03 0.88 -0.06 -0.65 0.00 0.00 175.02 175.16 1h2x s PHE 186 N 0.16 3.63 0.26 4.11 0.08 0.61 -0.71 117.98 126.11 1h2x s PHE 186 Ca -0.01 1.64 -0.22 0.00 0.12 0.00 0.00 56.93 58.46 1h2x s PHE 186 Cb -0.02 -2.82 0.03 0.00 -0.57 0.00 0.00 43.02 39.64 1h2x s PHE 186 CO -0.00 0.21 0.73 1.52 -0.10 0.00 0.00 175.22 177.57 1h2x s TYR 187 N -1.66 -0.22 0.08 0.36 1.13 -0.50 -1.83 117.35 114.71 1h2x s TYR 187 Ca 0.49 -0.20 0.06 0.00 -1.41 0.00 0.00 57.07 56.02 1h2x s TYR 187 Cb -0.17 0.69 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 1h2x s TYR 187 CO 0.22 -1.16 -0.09 -0.80 -2.51 0.00 0.00 175.55 171.21 1h2x s ASN 188 N -2.90 4.48 0.05 -0.18 -0.87 -1.26 -0.70 114.94 113.56 1h2x s ASN 188 Ca 0.10 -0.32 -0.12 0.00 -1.57 0.00 0.00 52.86 50.95 1h2x s ASN 188 Cb -0.05 -0.91 0.01 0.00 -0.02 0.00 0.00 41.25 40.28 1h2x s ASN 188 CO 0.04 0.20 0.27 0.00 -2.57 0.00 0.00 177.10 175.04 1h2x s ALA 189 N -1.17 -0.57 0.06 0.60 0.00 -0.84 -3.99 121.76 115.85 1h2x s ALA 189 Ca 0.21 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1h2x s ALA 189 Cb -0.11 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1h2x s ALA 189 CO 0.13 -0.41 0.10 0.71 0.00 0.00 0.00 175.76 176.28 1h2x s TYR 190 N -2.67 3.26 0.85 0.00 2.02 -0.26 -1.18 117.35 119.37 1h2x s TYR 190 Ca -0.04 0.13 -0.10 0.00 -0.37 0.00 0.00 57.07 56.68 1h2x s TYR 190 Cb -0.00 -1.67 0.11 0.00 -0.40 0.00 0.00 41.96 40.00 1h2x s TYR 190 CO -0.04 0.54 1.11 -2.14 -1.57 0.00 0.00 175.55 173.45 1h2x s PRO 191 N -2.27 1.57 0.62 -1.71 0.02 -1.26 -4.87 135.00 127.10 1h2x s PRO 191 Ca 0.29 1.31 -0.19 0.00 0.02 0.00 0.00 61.00 62.43 1h2x s PRO 191 Cb -0.12 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 1h2x s PRO 191 CO 0.21 -2.17 1.21 1.04 -0.33 0.00 0.00 177.00 176.96 1h2x n GLN 192 N -3.90 1.14 -3.93 5.54 1.13 -1.26 -5.03 117.38 111.08 1h2x n GLN 192 Ca 0.10 0.44 -0.10 0.00 -1.94 0.00 0.00 57.00 55.50 1h2x n GLN 192 Cb 0.53 -2.43 -0.10 0.00 0.11 0.00 0.00 30.24 28.34 1h2x n GLN 192 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1h2x s GLN 193 N -3.11 0.39 0.68 -1.09 -2.07 -1.26 -5.15 119.66 108.06 1h2x s GLN 193 Ca 0.79 -0.53 -0.15 0.00 -1.82 0.00 0.00 55.36 53.65 1h2x s GLN 193 Cb -0.40 0.15 0.01 0.00 -1.09 0.00 0.00 33.01 31.68 1h2x s GLN 193 CO 0.44 -0.08 1.12 -0.51 -1.32 0.00 0.00 175.29 174.94 1h2x s ASP 194 N -1.45 4.94 0.00 12.60 1.01 -1.26 -4.81 116.67 127.70 1h2x s ASP 194 Ca -0.15 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.15 1h2x s ASP 194 Cb -0.09 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1h2x s ASP 194 CO -0.00 -1.74 0.00 0.61 0.21 0.00 0.00 175.17 174.25 1h2x n GLY 195 N -0.43 -1.84 3.88 0.21 0.00 -1.26 -4.94 105.19 100.81 1h2x n GLY 195 Ca 0.11 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1h2x n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h2x s LYS 196 N 0.00 3.62 -0.37 1.61 1.02 -1.26 -5.02 119.74 119.34 1h2x s LYS 196 Ca 0.00 0.53 0.12 0.00 0.02 0.00 0.00 55.97 56.64 1h2x s LYS 196 Cb 0.00 -2.22 0.36 0.00 -0.52 0.00 0.00 37.83 35.44 1h2x s LYS 196 CO 0.00 -0.36 0.78 0.43 -0.92 0.00 0.00 175.35 175.27 1h2x n SER 197 N -2.34 0.67 0.00 2.83 7.64 -1.26 -4.69 113.62 116.47 1h2x n SER 197 Ca 0.04 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.89 1h2x n SER 197 Cb 0.54 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1h2x n SER 197 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1h2x n ASP 198 N 0.25 0.78 0.00 6.43 5.75 -1.26 -4.98 116.55 123.52 1h2x n ASP 198 Ca 0.22 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 1h2x n ASP 198 Cb 0.68 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 1h2x n ASP 198 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h2x n GLY 199 N -0.06 0.95 0.02 6.12 0.00 -1.26 -4.74 105.19 106.22 1h2x n GLY 199 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1h2x n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h2x n THR 200 N -1.28 0.09 -2.02 2.61 -2.24 -1.26 -3.74 114.28 106.43 1h2x n THR 200 Ca 0.00 -0.14 -0.29 0.00 -2.27 0.00 0.00 64.05 61.35 1h2x n THR 200 Cb 0.00 0.39 0.04 0.00 -2.10 0.00 0.00 70.33 68.66 1h2x n THR 200 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1h2x s GLU 201 N -3.11 2.92 0.00 -0.78 1.03 -1.26 -4.78 118.70 112.71 1h2x s GLU 201 Ca 0.06 0.35 0.05 0.00 0.03 0.00 0.00 54.97 55.46 1h2x s GLU 201 Cb 0.15 -2.09 0.04 0.00 -0.80 0.00 0.00 34.13 31.44 1h2x s GLU 201 CO 0.80 -0.92 0.67 0.25 -1.33 0.00 0.00 175.26 174.73 1h2x n THR 202 N -2.88 0.05 -1.60 1.83 -2.24 -1.26 -4.89 114.28 103.29 1h2x n THR 202 Ca 0.06 -0.52 -0.50 0.00 -2.27 0.00 0.00 64.05 60.82 1h2x n THR 202 Cb 0.57 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.82 1h2x n THR 202 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1h2x n SER 203 N 0.25 1.71 -4.77 3.42 7.64 -1.26 -0.96 113.62 119.65 1h2x n SER 203 Ca 0.03 1.13 -0.39 0.00 1.01 0.00 0.00 58.87 60.64 1h2x n SER 203 Cb 0.13 -1.23 -0.01 0.00 -1.01 0.00 0.00 64.21 62.09 1h2x n SER 203 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1h2x s THR 204 N 0.24 2.69 -0.35 0.44 -1.32 -1.26 -2.67 115.64 113.41 1h2x s THR 204 Ca 0.79 0.63 -0.12 0.00 -1.21 0.00 0.00 61.69 61.77 1h2x s THR 204 Cb -0.88 -3.37 -0.00 0.00 -1.51 0.00 0.00 72.50 66.74 1h2x s THR 204 CO 0.48 0.10 0.22 0.20 -2.21 0.00 0.00 174.62 173.41 1h2x s ASN 205 N -0.75 5.89 0.16 8.08 0.02 -0.22 -4.82 114.94 123.31 1h2x s ASN 205 Ca 0.56 -0.64 0.01 0.00 -1.02 0.00 0.00 52.86 51.78 1h2x s ASN 205 Cb -0.37 -2.09 -0.05 0.00 0.02 0.00 0.00 41.25 38.76 1h2x s ASN 205 CO 0.48 -0.29 0.01 -0.76 0.02 0.00 0.00 177.10 176.56 1h2x s LEU 206 N 1.66 2.09 -1.16 0.60 1.43 -1.26 -4.87 118.68 117.17 1h2x s LEU 206 Ca 0.05 -1.17 -0.07 0.00 -1.03 0.00 0.00 54.13 51.91 1h2x s LEU 206 Cb -0.18 -0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.04 1h2x s LEU 206 CO 0.09 -0.59 1.01 1.41 0.23 0.00 0.00 176.35 178.50 1h2x n HIS 207 N -0.21 -2.43 -2.06 0.29 8.25 0.05 -4.63 115.22 114.49 1h2x n HIS 207 Ca -0.07 0.87 -0.41 0.00 -0.26 0.00 0.00 57.72 57.85 1h2x n HIS 207 Cb 0.63 -4.52 -0.02 0.00 1.12 0.00 0.00 29.99 27.20 1h2x n HIS 207 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1h2x s GLN 208 N -6.02 4.30 0.31 -0.41 0.74 -1.26 -4.36 119.66 112.96 1h2x s GLN 208 Ca 0.45 2.26 0.09 0.00 0.05 0.00 0.00 55.36 58.21 1h2x s GLN 208 Cb -0.20 -3.09 -0.06 0.00 1.10 0.00 0.00 33.01 30.76 1h2x s GLN 208 CO 0.63 -0.33 -0.10 0.15 -0.55 0.00 0.00 175.29 175.09 1h2x s LYS 209 N -0.98 1.70 -0.23 1.67 1.02 -0.32 -4.65 119.74 117.95 1h2x s LYS 209 Ca 0.55 -1.85 -0.07 0.00 0.02 0.00 0.00 55.97 54.62 1h2x s LYS 209 Cb -0.41 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1h2x s LYS 209 CO 0.48 0.14 0.06 -1.17 -0.92 0.00 0.00 175.35 173.93 1h2x s LEU 210 N -3.53 3.50 0.30 3.17 2.96 -0.57 -1.99 118.68 122.52 1h2x s LEU 210 Ca 0.31 -0.14 0.11 0.00 -0.22 0.00 0.00 54.13 54.19 1h2x s LEU 210 Cb 0.02 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.73 1h2x s LEU 210 CO 0.14 0.03 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.74 1h2x s TYR 211 N 1.23 2.28 -0.16 5.38 2.02 0.12 -0.93 117.35 127.30 1h2x s TYR 211 Ca 0.04 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 1h2x s TYR 211 Cb -0.14 -1.11 0.02 0.00 -0.40 0.00 0.00 41.96 40.32 1h2x s TYR 211 CO 0.03 0.64 -0.15 -0.47 -1.57 0.00 0.00 175.55 174.03 1h2x s TYR 212 N -2.59 2.29 -0.25 2.71 5.04 0.24 -1.41 117.35 123.38 1h2x s TYR 212 Ca 0.30 -1.31 -0.10 0.00 -2.44 0.00 0.00 57.07 53.53 1h2x s TYR 212 Cb -0.02 -1.66 -0.05 0.00 0.35 0.00 0.00 41.96 40.59 1h2x s TYR 212 CO 0.15 -0.70 0.14 -1.58 -1.34 0.00 0.00 175.55 172.23 1h2x s HIS 213 N 1.45 3.23 -0.19 4.97 5.65 0.11 -1.43 115.29 129.08 1h2x s HIS 213 Ca 0.05 0.06 -0.24 0.00 0.25 0.00 0.00 55.06 55.18 1h2x s HIS 213 Cb -0.13 -2.28 -0.02 0.00 -1.18 0.00 0.00 32.58 28.97 1h2x s HIS 213 CO -0.11 -0.08 0.76 0.08 -0.65 0.00 0.00 174.74 174.74 1h2x s VAL 214 N 1.33 4.92 0.26 0.89 1.01 -1.26 -0.80 120.40 126.76 1h2x s VAL 214 Ca 0.07 1.46 -0.31 0.00 0.00 0.00 0.00 61.98 63.20 1h2x s VAL 214 Cb -0.15 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 1h2x s VAL 214 CO 0.06 0.04 1.60 -0.11 0.00 0.00 0.00 175.10 176.69 1h2x n LEU 215 N 5.30 4.08 0.00 3.92 7.94 -0.37 -2.46 117.00 135.41 1h2x n LEU 215 Ca 0.03 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1h2x n LEU 215 Cb 0.49 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1h2x n LEU 215 CO 0.46 0.06 0.00 0.61 -1.11 0.00 0.00 177.39 177.41 1h2x n GLY 216 N 2.57 0.80 3.55 -3.96 0.00 -1.26 -4.99 105.19 101.90 1h2x n GLY 216 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1h2x n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h2x s THR 217 N -2.13 1.66 0.38 2.61 -4.23 -1.03 -5.08 115.64 107.83 1h2x s THR 217 Ca 0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 1h2x s THR 217 Cb 0.00 -2.91 -0.10 0.00 1.34 0.00 0.00 72.50 70.83 1h2x s THR 217 CO 0.00 0.00 0.84 -1.81 -0.54 0.00 0.00 174.62 173.11 1h2x s ASP 218 N -3.62 6.82 0.53 3.99 1.01 -1.26 -4.82 116.67 119.31 1h2x s ASP 218 Ca 0.35 1.45 0.21 0.00 0.71 0.00 0.00 52.55 55.28 1h2x s ASP 218 Cb 0.09 -2.44 1.38 0.00 1.01 0.00 0.00 42.92 42.96 1h2x s ASP 218 CO 0.17 -0.30 2.09 -0.61 0.21 0.00 0.00 175.17 176.73 1h2x h GLN 219 N 1.98 0.00 0.00 8.23 4.15 -1.96 -0.77 115.11 126.73 1h2x h GLN 219 Ca -0.48 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 1h2x h GLN 219 Cb 1.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 1h2x h GLN 219 CO 0.63 0.00 -0.00 0.66 -1.93 0.00 0.00 178.83 178.19 1h2x h SER 220 N 0.00 0.00 0.24 -0.69 4.64 -1.95 -0.69 113.55 115.10 1h2x h SER 220 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1h2x h SER 220 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1h2x h SER 220 CO -0.00 0.00 -0.30 -0.62 -0.87 0.00 0.00 176.83 175.04 1h2x n GLU 221 N -3.10 0.78 -1.64 4.77 1.02 -0.30 -4.97 120.64 117.21 1h2x n GLU 221 Ca -0.03 -0.47 -0.41 0.00 -0.02 0.00 0.00 57.16 56.23 1h2x n GLU 221 Cb 0.07 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.02 1h2x n GLU 221 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1h2x n ASP 222 N -0.70 1.52 -4.72 1.62 9.92 -0.27 -4.95 116.55 118.97 1h2x n ASP 222 Ca 0.11 1.01 -0.38 0.00 -0.53 0.00 0.00 54.79 55.00 1h2x n ASP 222 Cb 0.35 -1.40 -0.06 0.00 -0.64 0.00 0.00 41.12 39.38 1h2x n ASP 222 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1h2x s ILE 223 N -1.30 5.12 -0.33 0.53 -1.09 -0.51 -4.87 121.20 118.75 1h2x s ILE 223 Ca 0.65 1.12 -0.26 0.00 -2.23 0.00 0.00 60.65 59.92 1h2x s ILE 223 Cb -0.52 -3.89 0.01 0.00 -1.58 0.00 0.00 42.46 36.49 1h2x s ILE 223 CO 0.55 0.31 0.95 -0.22 -1.23 0.00 0.00 174.94 175.30 1h2x s LEU 224 N 0.59 4.00 -0.06 2.97 2.96 -1.26 -0.60 118.68 127.28 1h2x s LEU 224 Ca 0.30 0.78 0.18 0.00 -0.22 0.00 0.00 54.13 55.17 1h2x s LEU 224 Cb -0.16 -3.32 -0.28 0.00 0.50 0.00 0.00 46.19 42.93 1h2x s LEU 224 CO 0.13 -0.80 0.33 0.00 -1.32 0.00 0.00 176.35 174.69 1h2x s ALA 226 N -3.11 -1.82 0.04 0.00 0.00 -1.17 -2.80 121.76 112.91 1h2x s ALA 226 Ca -0.07 2.04 -0.19 0.00 0.00 0.00 0.00 51.96 53.74 1h2x s ALA 226 Cb 0.11 -1.24 0.04 0.00 0.00 0.00 0.00 23.12 22.02 1h2x s ALA 226 CO 0.78 -0.33 0.43 -1.83 0.00 0.00 0.00 175.76 174.81 1h2x s GLU 227 N 0.46 0.93 -0.46 0.00 -1.05 -1.26 -1.51 118.70 115.81 1h2x s GLU 227 Ca -0.00 -0.34 0.08 0.00 -0.15 0.00 0.00 54.97 54.56 1h2x s GLU 227 Cb -0.05 0.42 0.28 0.00 -0.44 0.00 0.00 34.13 34.33 1h2x s GLU 227 CO -0.02 -0.32 0.65 1.19 0.95 0.00 0.00 175.26 177.71 1h2x n PHE 228 N 0.50 1.07 0.16 4.83 3.72 -1.26 -4.96 117.46 121.52 1h2x n PHE 228 Ca -0.18 -3.79 0.17 0.00 -0.05 0.00 0.00 57.45 53.60 1h2x n PHE 228 Cb 0.60 -0.42 0.77 0.00 -0.94 0.00 0.00 39.48 39.49 1h2x n PHE 228 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1h2x h PRO 229 N 3.77 0.00 -0.00 -1.08 0.13 -1.98 -0.27 132.00 132.56 1h2x h PRO 229 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1h2x h PRO 229 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1h2x h PRO 229 CO 0.59 0.00 -0.27 -0.25 -0.23 0.00 0.00 178.00 177.84 1h2x n ASP 230 N -4.01 0.49 -3.43 1.44 8.00 -1.26 -4.34 116.55 113.44 1h2x n ASP 230 Ca 0.03 -0.30 -0.27 0.00 0.71 0.00 0.00 54.79 54.96 1h2x n ASP 230 Cb 0.37 0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.38 1h2x n ASP 230 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1h2x n GLU 231 N -1.22 0.70 0.20 -1.24 -0.58 -0.11 -5.00 120.64 113.38 1h2x n GLU 231 Ca 0.09 -3.48 0.18 0.00 -0.42 0.00 0.00 57.16 53.53 1h2x n GLU 231 Cb 0.32 -1.71 0.75 0.00 -0.57 0.00 0.00 31.44 30.24 1h2x n GLU 231 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h2x h PRO 232 N 5.15 0.00 0.00 3.49 0.11 -1.75 -1.81 132.00 137.18 1h2x h PRO 232 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1h2x h PRO 232 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1h2x h PRO 232 CO 0.47 0.00 -0.69 1.63 -0.21 0.00 0.00 178.00 179.20 1h2x n LYS 233 N -3.33 0.07 -2.07 1.05 5.02 -1.26 -0.77 118.16 116.87 1h2x n LYS 233 Ca 0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.94 1h2x n LYS 233 Cb 0.54 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1h2x n LYS 233 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1h2x s TRP 234 N -3.04 2.74 -0.09 2.13 0.52 -0.68 -4.61 118.94 115.90 1h2x s TRP 234 Ca 0.09 1.44 -0.02 0.00 0.02 0.00 0.00 56.10 57.63 1h2x s TRP 234 Cb 0.16 -3.60 0.03 0.00 -1.15 0.00 0.00 33.47 28.91 1h2x s TRP 234 CO 0.75 -2.06 0.01 -1.64 0.02 0.00 0.00 176.95 174.03 1h2x s MET 235 N -2.50 0.59 -0.28 4.98 -1.94 -0.24 -4.35 119.30 115.56 1h2x s MET 235 Ca 0.62 0.02 -0.06 0.00 -1.71 0.00 0.00 55.69 54.56 1h2x s MET 235 Cb -0.36 -1.18 0.00 0.00 2.01 0.00 0.00 34.83 35.31 1h2x s MET 235 CO 0.44 -0.37 0.06 0.20 -0.01 0.00 0.00 175.02 175.34 1h2x s GLY 236 N 1.96 1.75 -0.12 -0.03 0.00 -1.26 -0.84 107.32 108.78 1h2x s GLY 236 Ca 0.04 -1.37 -0.05 0.00 0.00 0.00 0.00 44.72 43.34 1h2x s GLY 236 CO -0.06 0.60 0.07 -0.32 0.00 0.00 0.00 173.10 173.39 1h2x s GLY 237 N 1.50 1.98 0.06 0.20 0.00 -0.11 -4.72 107.32 106.23 1h2x s GLY 237 Ca 0.03 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.05 1h2x s GLY 237 CO 0.01 -0.34 0.08 0.00 0.00 0.00 0.00 173.10 172.86 1h2x s ALA 238 N -0.61 3.58 -0.06 3.20 0.00 -1.26 -0.82 121.76 125.79 1h2x s ALA 238 Ca 0.11 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 1h2x s ALA 238 Cb -0.12 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.55 1h2x s ALA 238 CO 0.02 0.74 0.34 -1.83 0.00 0.00 0.00 175.76 175.04 1h2x s GLU 239 N -2.25 0.59 0.01 0.00 -1.05 -0.66 -4.56 118.70 110.79 1h2x s GLU 239 Ca 0.28 0.07 -0.15 0.00 -0.15 0.00 0.00 54.97 55.03 1h2x s GLU 239 Cb -0.12 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.78 1h2x s GLU 239 CO 0.20 -0.14 0.42 -0.51 0.95 0.00 0.00 175.26 176.18 1h2x s LEU 240 N -0.77 4.47 0.88 1.83 2.01 -1.26 -0.33 118.68 125.51 1h2x s LEU 240 Ca -0.09 0.97 -0.11 0.00 0.01 0.00 0.00 54.13 54.92 1h2x s LEU 240 Cb -0.04 -2.62 0.13 0.00 0.01 0.00 0.00 46.19 43.66 1h2x s LEU 240 CO 0.03 0.31 1.15 -0.94 1.01 0.00 0.00 176.35 177.91 1h2x s SER 241 N -1.12 3.20 0.57 2.29 1.04 0.21 -4.86 113.70 115.03 1h2x s SER 241 Ca 0.25 2.17 0.25 0.00 0.48 0.00 0.00 55.95 59.10 1h2x s SER 241 Cb -0.17 -2.56 1.58 0.00 0.10 0.00 0.00 66.02 64.97 1h2x s SER 241 CO 0.14 -2.92 2.15 0.44 0.98 0.00 0.00 173.24 174.03 1h2x h ASP 242 N -1.66 0.00 -0.14 7.02 3.32 -1.92 0.92 116.42 123.97 1h2x h ASP 242 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1h2x h ASP 242 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1h2x h ASP 242 CO 0.43 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.05 1h2x n ASP 243 N -4.06 2.06 0.00 6.45 5.68 -1.26 -4.94 116.55 120.47 1h2x n ASP 243 Ca 0.00 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 1h2x n ASP 243 Cb 0.23 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1h2x n ASP 243 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h2x n GLY 244 N 1.23 0.46 0.10 6.12 0.00 0.32 -4.89 105.19 108.53 1h2x n GLY 244 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1h2x n GLY 244 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1h2x h ARG 245 N 1.29 0.19 -6.53 1.61 2.43 -1.92 -3.43 114.38 108.03 1h2x h ARG 245 Ca 0.00 -0.30 -0.67 0.00 -0.81 0.00 0.00 59.98 58.20 1h2x h ARG 245 Cb 0.15 0.10 -0.28 0.00 -0.42 0.00 0.00 29.97 29.53 1h2x h ARG 245 CO 0.00 1.11 -0.88 0.71 -1.51 0.00 0.00 179.97 179.40 1h2x s TYR 246 N -2.81 2.20 -0.23 2.20 1.51 -1.26 -0.87 117.35 118.09 1h2x s TYR 246 Ca -0.03 -0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 55.51 1h2x s TYR 246 Cb 0.08 -1.36 -0.05 0.00 -0.11 0.00 0.00 41.96 40.53 1h2x s TYR 246 CO 0.86 0.05 0.20 0.08 -1.11 0.00 0.00 175.55 175.63 1h2x s VAL 247 N -0.71 5.33 -0.19 0.71 1.01 -0.14 -0.62 120.40 125.79 1h2x s VAL 247 Ca 0.10 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 1h2x s VAL 247 Cb -0.10 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1h2x s VAL 247 CO 0.01 0.34 0.02 -0.76 0.00 0.00 0.00 175.10 174.71 1h2x s LEU 248 N 1.04 3.46 -0.27 3.92 1.43 0.56 -0.70 118.68 128.12 1h2x s LEU 248 Ca 0.10 -0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1h2x s LEU 248 Cb -0.14 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 1h2x s LEU 248 CO 0.05 0.10 0.05 -0.22 0.23 0.00 0.00 176.35 176.56 1h2x s LEU 249 N 0.77 3.59 -0.35 1.79 2.96 0.71 -1.65 118.68 126.49 1h2x s LEU 249 Ca 0.01 -0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 1h2x s LEU 249 Cb -0.14 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.70 1h2x s LEU 249 CO 0.02 -0.13 0.22 -0.44 -1.32 0.00 0.00 176.35 174.70 1h2x s SER 250 N 1.51 5.85 -0.22 3.68 0.01 -0.00 -1.21 113.70 123.31 1h2x s SER 250 Ca 0.04 -0.67 -0.09 0.00 1.31 0.00 0.00 55.95 56.53 1h2x s SER 250 Cb -0.16 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1h2x s SER 250 CO 0.01 -0.30 0.12 -0.63 0.41 0.00 0.00 173.24 172.85 1h2x s ILE 251 N 1.64 5.05 0.16 1.44 1.01 -0.55 -0.93 121.20 129.03 1h2x s ILE 251 Ca 0.05 0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.87 1h2x s ILE 251 Cb -0.18 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1h2x s ILE 251 CO 0.08 0.39 -0.25 -0.13 0.00 0.00 0.00 174.94 175.03 1h2x s ARG 252 N 0.87 1.44 -0.22 2.79 0.52 -0.02 -0.75 118.95 123.58 1h2x s ARG 252 Ca 0.06 -1.43 -0.04 0.00 -0.52 0.00 0.00 55.73 53.80 1h2x s ARG 252 Cb -0.13 -1.81 0.09 0.00 0.52 0.00 0.00 34.95 33.62 1h2x s ARG 252 CO 0.03 0.41 0.20 -2.00 0.02 0.00 0.00 175.30 173.95 1h2x s GLU 253 N -2.41 0.19 0.37 3.54 2.12 -1.26 -1.08 118.70 120.16 1h2x s GLU 253 Ca 0.17 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1h2x s GLU 253 Cb -0.09 -1.23 0.00 0.00 0.26 0.00 0.00 34.13 33.08 1h2x s GLU 253 CO 0.08 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 1h2x n GLY 254 N 5.30 -1.80 0.45 -1.50 0.00 -1.26 -4.69 105.19 101.69 1h2x n GLY 254 Ca -0.05 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.15 1h2x n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h2x s ASP 256 N -0.89 5.11 -1.41 0.00 1.01 -1.26 -4.88 116.67 114.35 1h2x s ASP 256 Ca 0.14 2.05 -0.15 0.00 0.71 0.00 0.00 52.55 55.30 1h2x s ASP 256 Cb 0.09 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.50 1h2x s ASP 256 CO 0.13 -1.63 2.11 -0.81 0.21 0.00 0.00 175.17 175.19 1h2x n PRO 257 N -2.29 2.88 -3.87 8.23 -0.04 -1.26 -4.82 135.00 133.84 1h2x n PRO 257 Ca 0.11 -2.73 -0.10 0.00 -0.04 0.00 0.00 63.50 60.74 1h2x n PRO 257 Cb 0.52 -3.33 -0.08 0.00 -0.04 0.00 0.00 33.50 30.57 1h2x n PRO 257 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1h2x s VAL 258 N 3.53 0.13 -0.13 0.52 -7.23 -1.26 -3.23 120.40 112.72 1h2x s VAL 258 Ca 0.49 -1.04 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 1h2x s VAL 258 Cb 0.12 -1.08 0.11 0.00 0.56 0.00 0.00 36.38 36.09 1h2x s VAL 258 CO -0.05 -0.58 0.90 0.54 -0.31 0.00 0.00 175.10 175.61 1h2x s ASN 259 N -2.39 -0.46 0.54 4.85 4.22 -0.17 -4.74 114.94 116.78 1h2x s ASN 259 Ca -0.01 0.52 -0.16 0.00 -2.14 0.00 0.00 52.86 51.07 1h2x s ASN 259 Cb 0.01 0.40 -0.07 0.00 1.28 0.00 0.00 41.25 42.87 1h2x s ASN 259 CO -0.07 -0.42 1.00 -0.13 -2.04 0.00 0.00 177.10 175.44 1h2x s ARG 260 N -1.09 3.87 -0.18 3.55 0.52 0.07 -4.61 118.95 121.08 1h2x s ARG 260 Ca -0.04 0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 56.06 1h2x s ARG 260 Cb -0.00 -2.12 0.06 0.00 0.52 0.00 0.00 34.95 33.40 1h2x s ARG 260 CO 0.04 -0.34 0.04 -1.17 0.02 0.00 0.00 175.30 173.89 1h2x s LEU 261 N -4.27 0.97 0.18 2.53 1.98 0.07 -1.48 118.68 118.65 1h2x s LEU 261 Ca 0.58 -0.72 0.09 0.00 -2.89 0.00 0.00 54.13 51.19 1h2x s LEU 261 Cb -0.10 -0.51 -0.04 0.00 0.66 0.00 0.00 46.19 46.19 1h2x s LEU 261 CO 0.35 -0.31 -0.09 0.26 -1.89 0.00 0.00 176.35 174.68 1h2x s TRP 262 N 1.92 2.65 0.12 5.38 0.51 -0.35 -1.02 118.94 128.14 1h2x s TRP 262 Ca 0.00 -0.21 0.03 0.00 -2.12 0.00 0.00 56.10 53.80 1h2x s TRP 262 Cb -0.16 -1.30 -0.04 0.00 -0.81 0.00 0.00 33.47 31.16 1h2x s TRP 262 CO -0.08 0.51 -0.08 1.52 -0.51 0.00 0.00 176.95 178.31 1h2x s TYR 263 N -1.69 1.04 -0.11 -1.98 -0.85 -0.33 -0.21 117.35 113.23 1h2x s TYR 263 Ca 0.25 -0.85 -0.03 0.00 -0.52 0.00 0.00 57.07 55.92 1h2x s TYR 263 Cb -0.09 -0.57 0.04 0.00 0.38 0.00 0.00 41.96 41.73 1h2x s TYR 263 CO 0.15 -0.05 0.06 0.00 -1.52 0.00 0.00 175.55 174.19 1h2x s ASP 265 N 2.09 6.35 0.54 0.00 -1.08 -1.26 -0.96 116.67 122.34 1h2x s ASP 265 Ca 0.03 0.46 0.22 0.00 -0.52 0.00 0.00 52.55 52.75 1h2x s ASP 265 Cb -0.14 -2.55 1.41 0.00 -1.46 0.00 0.00 42.92 40.18 1h2x s ASP 265 CO -0.06 -1.50 2.10 -0.07 0.52 0.00 0.00 175.17 176.16 1h2x h LEU 266 N 12.26 0.00 -1.81 -1.34 3.38 -1.35 0.30 115.31 126.74 1h2x h LEU 266 Ca -0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1h2x h LEU 266 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1h2x h LEU 266 CO 1.14 0.00 -0.15 -0.61 0.09 0.00 0.00 178.44 178.91 1h2x h GLN 267 N 0.00 0.00 -0.01 1.13 4.15 -1.90 -2.30 115.11 116.18 1h2x h GLN 267 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1h2x h GLN 267 Cb 0.42 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1h2x h GLN 267 CO -0.00 0.15 -0.03 1.04 -1.93 0.00 0.00 178.83 178.06 1h2x n GLN 268 N -3.93 1.14 -2.29 1.69 1.13 0.09 -4.86 117.38 110.34 1h2x n GLN 268 Ca -0.02 -0.40 -0.40 0.00 -1.94 0.00 0.00 57.00 54.24 1h2x n GLN 268 Cb 0.24 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 1h2x n GLN 268 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1h2x s GLU 269 N -2.13 4.50 0.30 -1.09 0.41 -0.87 -4.92 118.70 114.89 1h2x s GLU 269 Ca 0.39 2.01 -0.00 0.00 -0.41 0.00 0.00 54.97 56.96 1h2x s GLU 269 Cb 0.21 -3.13 0.49 0.00 -1.78 0.00 0.00 34.13 29.92 1h2x s GLU 269 CO 0.39 0.01 1.92 0.77 -0.49 0.00 0.00 175.26 177.86 1h2x h SER 270 N 3.61 0.94 -0.27 -0.19 0.02 -1.90 -3.36 113.55 112.40 1h2x h SER 270 Ca -0.48 -0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.20 1h2x h SER 270 Cb 1.22 -0.20 -0.19 0.00 0.14 0.00 0.00 62.40 63.36 1h2x h SER 270 CO 0.66 0.62 -0.54 -3.20 -1.14 0.00 0.00 176.83 173.24 1h2x n ASN 271 N -4.47 -1.64 -0.20 3.07 5.15 -1.26 -5.14 115.26 110.77 1h2x n ASN 271 Ca 0.13 -3.16 0.00 0.00 -0.60 0.00 0.00 54.58 50.95 1h2x n ASN 271 Cb 0.15 1.22 0.00 0.00 -0.53 0.00 0.00 39.78 40.62 1h2x n ASN 271 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h2x n GLY 272 N 0.01 -1.38 3.53 8.20 0.00 -1.26 -4.56 105.19 109.74 1h2x n GLY 272 Ca 0.05 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1h2x n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h2x s ILE 273 N 0.00 4.11 0.00 -0.61 1.01 -1.26 -4.77 121.20 119.69 1h2x s ILE 273 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1h2x s ILE 273 Cb 0.00 -4.71 0.00 0.00 0.01 0.00 0.00 42.46 37.76 1h2x s ILE 273 CO 0.00 -1.42 0.08 0.35 0.00 0.00 0.00 174.94 173.95 1h2x n THR 274 N 6.31 0.00 -1.93 2.92 -2.24 -1.26 -5.00 114.28 113.08 1h2x n THR 274 Ca 0.03 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1h2x n THR 274 Cb 0.48 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1h2x n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h2x n GLY 275 N 0.61 1.18 3.68 3.38 0.00 -1.26 -4.91 105.19 107.87 1h2x n GLY 275 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1h2x n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h2x s ILE 276 N -1.03 2.63 0.79 -0.61 -1.09 -1.12 -4.34 121.20 116.43 1h2x s ILE 276 Ca 0.00 0.03 -0.11 0.00 -2.23 0.00 0.00 60.65 58.34 1h2x s ILE 276 Cb 0.00 -3.02 0.07 0.00 -1.58 0.00 0.00 42.46 37.93 1h2x s ILE 276 CO 0.00 -0.00 1.09 -0.76 -1.23 0.00 0.00 174.94 174.04 1h2x s LEU 277 N 3.17 2.88 -1.42 2.97 1.43 -1.12 -4.90 118.68 121.68 1h2x s LEU 277 Ca 0.83 1.71 -0.14 0.00 -1.03 0.00 0.00 54.13 55.50 1h2x s LEU 277 Cb -0.45 -4.38 0.03 0.00 0.03 0.00 0.00 46.19 41.42 1h2x s LEU 277 CO 0.38 -2.09 2.22 0.29 0.23 0.00 0.00 176.35 177.38 1h2x n LYS 278 N -3.55 2.78 -1.93 1.70 5.02 -1.26 -4.95 118.16 115.96 1h2x n LYS 278 Ca 0.08 -2.55 -0.41 0.00 -2.02 0.00 0.00 58.31 53.41 1h2x n LYS 278 Cb 0.54 -3.26 -0.02 0.00 -0.02 0.00 0.00 35.03 32.26 1h2x n LYS 278 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1h2x s TRP 279 N 3.30 2.93 -0.26 2.13 0.52 -1.26 -4.69 118.94 121.60 1h2x s TRP 279 Ca 0.48 0.94 -0.06 0.00 0.02 0.00 0.00 56.10 57.47 1h2x s TRP 279 Cb 0.14 -3.90 -0.01 0.00 -1.15 0.00 0.00 33.47 28.55 1h2x s TRP 279 CO -0.08 -2.98 0.05 0.08 0.02 0.00 0.00 176.95 174.04 1h2x s VAL 280 N 0.02 3.92 -1.37 4.03 1.01 0.40 -4.94 120.40 123.47 1h2x s VAL 280 Ca 0.61 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1h2x s VAL 280 Cb -0.44 -2.92 0.09 0.00 0.00 0.00 0.00 36.38 33.12 1h2x s VAL 280 CO 0.44 0.23 2.00 0.29 0.00 0.00 0.00 175.10 178.06 1h2x n LYS 281 N 4.86 3.17 0.07 2.72 5.02 -1.26 -1.18 118.16 131.56 1h2x n LYS 281 Ca -0.16 -3.07 -0.15 0.00 -2.02 0.00 0.00 58.31 52.91 1h2x n LYS 281 Cb 0.50 -3.19 -0.09 0.00 -0.02 0.00 0.00 35.03 32.22 1h2x n LYS 281 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1h2x h LEU 282 N 9.70 -1.54 -7.82 -0.35 5.85 -1.88 -3.34 115.31 115.92 1h2x h LEU 282 Ca 0.48 0.17 -0.67 0.00 0.84 0.00 0.00 57.88 58.71 1h2x h LEU 282 Cb 0.69 0.59 -0.38 0.00 0.37 0.00 0.00 40.66 41.93 1h2x h LEU 282 CO 1.70 -0.52 -0.76 -0.63 -0.34 0.00 0.00 178.44 177.90 1h2x s ILE 283 N -5.79 2.30 -0.69 4.05 -1.09 -0.19 -5.00 121.20 114.79 1h2x s ILE 283 Ca -0.16 -1.88 0.02 0.00 -2.23 0.00 0.00 60.65 56.40 1h2x s ILE 283 Cb 0.07 -2.48 0.37 0.00 -1.58 0.00 0.00 42.46 38.83 1h2x s ILE 283 CO 0.62 -0.25 1.44 -0.67 -1.23 0.00 0.00 174.94 174.84 1h2x n ASP 284 N 4.39 5.87 -3.66 3.58 2.03 -1.26 -0.76 116.55 126.75 1h2x n ASP 284 Ca -0.07 -3.74 -0.07 0.00 0.52 0.00 0.00 54.79 51.43 1h2x n ASP 284 Cb 0.42 -0.77 -0.01 0.00 -0.72 0.00 0.00 41.12 40.04 1h2x n ASP 284 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1h2x s ASN 285 N -2.49 -0.20 -0.44 1.67 2.20 -1.26 -5.06 114.94 109.36 1h2x s ASN 285 Ca 0.48 -0.70 0.04 0.00 -0.94 0.00 0.00 52.86 51.73 1h2x s ASN 285 Cb 0.34 0.73 0.50 0.00 -2.00 0.00 0.00 41.25 40.83 1h2x s ASN 285 CO -0.23 -1.38 1.66 0.49 -2.94 0.00 0.00 177.10 174.70 1h2x n PHE 286 N -0.48 2.47 0.20 1.54 3.72 -1.26 -3.51 117.46 120.14 1h2x n PHE 286 Ca -0.05 -2.25 0.12 0.00 -0.05 0.00 0.00 57.45 55.22 1h2x n PHE 286 Cb 0.59 -0.84 0.13 0.00 -0.94 0.00 0.00 39.48 38.42 1h2x n PHE 286 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1h2x h GLU 287 N 1.59 0.00 -3.24 -1.08 5.08 -1.96 -3.43 114.58 111.53 1h2x h GLU 287 Ca 0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1h2x h GLU 287 Cb 1.55 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.72 1h2x h GLU 287 CO 0.97 0.00 0.08 0.20 -1.00 0.00 0.00 179.01 179.26 1h2x s GLY 288 N -4.24 -0.04 0.05 -3.84 0.00 -1.26 -4.85 107.32 93.13 1h2x s GLY 288 Ca 0.05 -0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.33 1h2x s GLY 288 CO 0.70 -0.23 0.49 1.85 0.00 0.00 0.00 173.10 175.90 1h2x s GLU 289 N -3.90 4.02 -0.29 2.90 2.12 -1.20 -1.00 118.70 121.36 1h2x s GLU 289 Ca 0.11 0.53 -0.03 0.00 0.36 0.00 0.00 54.97 55.94 1h2x s GLU 289 Cb -0.02 -3.17 0.10 0.00 0.26 0.00 0.00 34.13 31.29 1h2x s GLU 289 CO 0.01 0.63 0.11 0.71 -0.54 0.00 0.00 175.26 176.18 1h2x s TYR 290 N -1.17 0.79 -0.33 5.30 2.02 -1.26 -3.48 117.35 119.23 1h2x s TYR 290 Ca 0.28 -1.12 -0.09 0.00 -0.37 0.00 0.00 57.07 55.77 1h2x s TYR 290 Cb -0.17 -1.16 0.01 0.00 -0.40 0.00 0.00 41.96 40.24 1h2x s TYR 290 CO 0.17 -0.82 0.15 0.34 -1.57 0.00 0.00 175.55 173.82 1h2x s ASP 291 N 1.94 5.51 0.19 2.29 -1.08 -0.10 -4.94 116.67 120.47 1h2x s ASP 291 Ca 0.08 -0.72 -0.32 0.00 -0.52 0.00 0.00 52.55 51.08 1h2x s ASP 291 Cb -0.16 -1.98 -0.11 0.00 -1.46 0.00 0.00 42.92 39.21 1h2x s ASP 291 CO -0.30 -0.25 1.68 -0.47 0.52 0.00 0.00 175.17 176.34 1h2x s TYR 292 N 1.56 2.92 -0.12 -5.34 5.04 -1.26 -0.62 117.35 119.53 1h2x s TYR 292 Ca 0.03 0.42 -0.10 0.00 -2.44 0.00 0.00 57.07 54.98 1h2x s TYR 292 Cb -0.18 -4.07 -0.06 0.00 0.35 0.00 0.00 41.96 38.01 1h2x s TYR 292 CO 0.05 -4.05 -0.22 0.28 -1.34 0.00 0.00 175.55 170.28 1h2x n VAL 293 N 4.03 1.17 -3.80 3.14 0.31 0.01 -4.89 118.33 118.30 1h2x n VAL 293 Ca 0.15 0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.48 1h2x n VAL 293 Cb 0.36 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1h2x n VAL 293 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1h2x s THR 294 N -2.44 0.00 0.04 2.52 -1.32 -1.16 -4.43 115.64 108.85 1h2x s THR 294 Ca -0.21 -0.45 -0.08 0.00 -1.21 0.00 0.00 61.69 59.74 1h2x s THR 294 Cb 0.06 -2.44 -0.00 0.00 -1.51 0.00 0.00 72.50 68.60 1h2x s THR 294 CO 0.28 0.00 0.16 0.54 -2.21 0.00 0.00 174.62 173.39 1h2x s ASN 295 N -3.24 0.08 -0.32 8.08 4.22 -1.26 -0.35 114.94 122.16 1h2x s ASN 295 Ca 0.19 -0.43 -0.00 0.00 -2.14 0.00 0.00 52.86 50.47 1h2x s ASN 295 Cb -0.00 0.27 0.10 0.00 1.28 0.00 0.00 41.25 42.90 1h2x s ASN 295 CO 0.01 -0.55 0.10 -1.61 -2.04 0.00 0.00 177.10 173.01 1h2x s GLU 296 N -2.61 0.78 7.32 3.55 0.41 -0.11 -4.91 118.70 123.12 1h2x s GLU 296 Ca -0.05 -1.16 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 1h2x s GLU 296 Cb -0.01 -2.09 0.00 0.00 -1.78 0.00 0.00 34.13 30.25 1h2x s GLU 296 CO -0.04 -0.99 0.00 0.41 -0.49 0.00 0.00 175.26 174.15 1h2x n GLY 297 N 4.77 2.49 0.39 -1.39 0.00 -1.26 -1.70 105.19 108.48 1h2x n GLY 297 Ca -0.01 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1h2x n GLY 297 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h2x n THR 298 N 0.00 0.00 -3.09 2.61 -2.24 -1.26 -4.75 114.28 105.55 1h2x n THR 298 Ca 0.00 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1h2x n THR 298 Cb 0.00 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 1h2x n THR 298 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1h2x s VAL 299 N -2.01 4.79 -0.20 2.28 1.01 -0.69 -0.83 120.40 124.75 1h2x s VAL 299 Ca 0.40 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.39 1h2x s VAL 299 Cb 0.21 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1h2x s VAL 299 CO 0.34 -0.65 0.09 -0.36 0.00 0.00 0.00 175.10 174.52 1h2x s PHE 300 N 2.90 3.26 -0.22 5.22 0.40 0.30 -0.94 117.98 128.91 1h2x s PHE 300 Ca 0.23 0.08 -0.15 0.00 -0.60 0.00 0.00 56.93 56.49 1h2x s PHE 300 Cb -0.14 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1h2x s PHE 300 CO 0.19 0.10 0.36 0.99 0.70 0.00 0.00 175.22 177.56 1h2x s THR 301 N 0.61 5.22 0.02 0.64 2.01 0.52 -0.42 115.64 124.25 1h2x s THR 301 Ca 0.05 0.60 0.06 0.00 0.31 0.00 0.00 61.69 62.71 1h2x s THR 301 Cb -0.13 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1h2x s THR 301 CO 0.01 0.25 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.65 1h2x s PHE 302 N 1.40 1.58 -0.03 4.92 0.08 0.16 -0.81 117.98 125.27 1h2x s PHE 302 Ca 0.16 -0.33 -0.23 0.00 0.12 0.00 0.00 56.93 56.65 1h2x s PHE 302 Cb -0.15 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1h2x s PHE 302 CO 0.08 0.03 0.70 0.21 -0.10 0.00 0.00 175.22 176.13 1h2x s LYS 303 N -0.83 4.43 0.07 0.44 2.20 0.21 -1.15 119.74 125.11 1h2x s LYS 303 Ca 0.06 0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 56.53 1h2x s LYS 303 Cb -0.08 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1h2x s LYS 303 CO 0.01 0.16 0.04 -0.08 -0.36 0.00 0.00 175.35 175.11 1h2x s THR 304 N 0.47 0.18 -0.15 3.43 -1.32 -0.06 -0.93 115.64 117.26 1h2x s THR 304 Ca 0.37 -1.66 0.03 0.00 -1.21 0.00 0.00 61.69 59.22 1h2x s THR 304 Cb -0.18 -1.54 0.08 0.00 -1.51 0.00 0.00 72.50 69.34 1h2x s THR 304 CO 0.19 -0.84 1.06 -0.46 -2.21 0.00 0.00 174.62 172.35 1h2x n ASN 305 N 0.04 2.19 -4.60 8.08 0.23 -1.23 -1.19 115.26 118.78 1h2x n ASN 305 Ca -0.13 -2.10 -0.43 0.00 -0.53 0.00 0.00 54.58 51.39 1h2x n ASN 305 Cb 0.62 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 38.21 1h2x n ASN 305 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1h2x s ARG 306 N -1.18 3.12 -1.41 -3.83 6.06 -1.26 -1.30 118.95 119.14 1h2x s ARG 306 Ca 0.07 2.03 0.00 0.00 -2.50 0.00 0.00 55.73 55.33 1h2x s ARG 306 Cb 0.05 -4.38 0.00 0.00 0.06 0.00 0.00 34.95 30.68 1h2x s ARG 306 CO 0.03 -2.12 0.00 0.72 -2.50 0.00 0.00 175.30 171.43 1h2x n HIS 307 N 11.75 -1.04 -3.16 5.12 8.25 -1.26 -4.89 115.22 129.99 1h2x n HIS 307 Ca 0.30 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.58 1h2x n HIS 307 Cb 0.45 -3.16 -0.06 0.00 1.12 0.00 0.00 29.99 28.34 1h2x n HIS 307 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1h2x s SER 308 N -2.10 0.32 0.65 0.41 1.04 -0.42 -5.01 113.70 108.59 1h2x s SER 308 Ca 0.00 -2.45 0.40 0.00 0.48 0.00 0.00 55.95 54.39 1h2x s SER 308 Cb 0.00 0.52 2.23 0.00 0.10 0.00 0.00 66.02 68.87 1h2x s SER 308 CO 0.00 -0.13 2.30 1.55 0.98 0.00 0.00 173.24 177.94 1h2x h PRO 309 N 5.53 0.00 -0.22 4.02 0.13 -1.91 0.99 132.00 140.54 1h2x h PRO 309 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1h2x h PRO 309 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1h2x h PRO 309 CO 0.22 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.08 1h2x n ASN 310 N -3.21 2.56 -0.56 1.44 3.02 -1.26 -1.19 115.26 116.06 1h2x n ASN 310 Ca -0.03 -1.85 0.01 0.00 -0.03 0.00 0.00 54.58 52.69 1h2x n ASN 310 Cb 0.12 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 1h2x n ASN 310 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1h2x n TYR 311 N 0.92 -1.52 -3.89 3.10 4.02 0.34 -1.20 117.16 118.93 1h2x n TYR 311 Ca 0.17 0.83 -0.09 0.00 -0.01 0.00 0.00 57.90 58.79 1h2x n TYR 311 Cb 0.48 -1.56 -0.01 0.00 -0.02 0.00 0.00 39.34 38.24 1h2x n TYR 311 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1h2x s ARG 312 N -4.33 1.99 -0.11 -0.72 1.70 -0.33 -4.26 118.95 112.88 1h2x s ARG 312 Ca 0.00 -1.36 0.00 0.00 -0.47 0.00 0.00 55.73 53.90 1h2x s ARG 312 Cb 0.00 0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 34.93 1h2x s ARG 312 CO 0.00 -0.90 -0.12 -0.51 -1.08 0.00 0.00 175.30 172.70 1h2x s LEU 313 N -3.06 2.82 0.14 -1.89 1.43 -0.50 -0.88 118.68 116.75 1h2x s LEU 313 Ca 0.18 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 1h2x s LEU 313 Cb -0.04 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1h2x s LEU 313 CO 0.12 0.22 -0.13 0.27 0.23 0.00 0.00 176.35 177.05 1h2x s ILE 314 N 0.04 1.39 -0.17 -0.59 -4.36 -0.30 -0.69 121.20 116.52 1h2x s ILE 314 Ca -0.04 -1.89 -0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1h2x s ILE 314 Cb -0.14 -1.70 -0.01 0.00 1.25 0.00 0.00 42.46 41.86 1h2x s ILE 314 CO 0.04 -0.51 -0.12 0.20 0.24 0.00 0.00 174.94 174.79 1h2x s ASN 315 N -2.77 3.90 -0.19 4.36 0.02 0.79 -0.66 114.94 120.39 1h2x s ASN 315 Ca 0.13 -0.42 -0.02 0.00 -1.02 0.00 0.00 52.86 51.53 1h2x s ASN 315 Cb -0.03 -1.62 -0.00 0.00 0.02 0.00 0.00 41.25 39.62 1h2x s ASN 315 CO 0.03 0.07 -0.11 -0.63 0.02 0.00 0.00 177.10 176.48 1h2x s ILE 316 N 0.92 2.93 -0.29 0.60 1.01 0.45 -1.44 121.20 125.37 1h2x s ILE 316 Ca -0.03 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 1h2x s ILE 316 Cb -0.15 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1h2x s ILE 316 CO -0.01 0.48 0.54 -0.62 0.00 0.00 0.00 174.94 175.33 1h2x s ASP 317 N 1.14 6.42 0.63 3.58 -1.08 -1.26 -0.54 116.67 125.57 1h2x s ASP 317 Ca 0.01 0.39 0.35 0.00 -0.52 0.00 0.00 52.55 52.78 1h2x s ASP 317 Cb -0.14 -2.29 1.95 0.00 -1.46 0.00 0.00 42.92 40.98 1h2x s ASP 317 CO -0.03 -0.37 2.18 -0.26 0.52 0.00 0.00 175.17 177.21 1h2x h PHE 318 N 8.15 0.00 -0.00 -5.34 -1.00 -1.39 -0.16 116.94 117.19 1h2x h PHE 318 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1h2x h PHE 318 Cb 1.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.69 1h2x h PHE 318 CO 0.75 0.00 -0.19 0.25 -1.61 0.00 0.00 178.31 177.51 1h2x n THR 319 N -3.39 0.00 -2.90 -1.55 -2.24 -1.26 -4.16 114.28 98.78 1h2x n THR 319 Ca -0.01 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 1h2x n THR 319 Cb 0.21 -0.02 0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1h2x n THR 319 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1h2x n ASP 320 N -1.11 -1.61 0.03 3.42 2.03 -0.14 -5.05 116.55 114.13 1h2x n ASP 320 Ca 0.11 -3.25 0.08 0.00 0.52 0.00 0.00 54.79 52.25 1h2x n ASP 320 Cb 0.31 1.02 0.36 0.00 -0.72 0.00 0.00 41.12 42.09 1h2x n ASP 320 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1h2x n PRO 321 N 1.06 0.05 -1.77 -0.67 -0.04 -0.81 -4.38 135.00 128.44 1h2x n PRO 321 Ca 0.13 0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 63.47 1h2x n PRO 321 Cb 0.63 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1h2x n PRO 321 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1h2x n GLU 322 N -1.70 2.60 -0.33 0.54 1.02 -1.26 -4.89 120.64 116.62 1h2x n GLU 322 Ca 0.03 0.91 0.11 0.00 -0.02 0.00 0.00 57.16 58.19 1h2x n GLU 322 Cb 0.19 -2.66 0.32 0.00 -0.02 0.00 0.00 31.44 29.27 1h2x n GLU 322 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1h2x h GLU 323 N 2.83 0.79 0.00 3.49 4.81 -1.99 0.12 114.58 124.63 1h2x h GLU 323 Ca -0.51 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1h2x h GLU 323 Cb 1.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1h2x h GLU 323 CO 0.63 0.52 0.00 0.66 -0.73 0.00 0.00 179.01 180.10 1h2x h SER 324 N 0.81 0.00 0.11 1.04 4.64 -1.97 -2.00 113.55 116.18 1h2x h SER 324 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1h2x h SER 324 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1h2x h SER 324 CO -0.27 0.00 -1.06 0.29 -0.87 0.00 0.00 176.83 174.91 1h2x n LYS 325 N -2.72 0.11 -1.74 4.77 4.76 0.40 -4.98 118.16 118.76 1h2x n LYS 325 Ca -0.02 -0.02 -0.39 0.00 -2.87 0.00 0.00 58.31 55.01 1h2x n LYS 325 Cb 0.06 -1.51 0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1h2x n LYS 325 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1h2x n TRP 326 N -1.64 2.33 -4.30 2.13 8.01 -0.76 -4.93 117.44 118.28 1h2x n TRP 326 Ca 0.03 0.43 -0.35 0.00 -1.31 0.00 0.00 57.50 56.30 1h2x n TRP 326 Cb 0.37 -2.37 -0.09 0.00 -2.01 0.00 0.00 31.31 27.21 1h2x n TRP 326 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1h2x s LYS 327 N -2.87 3.18 -0.43 -0.99 -0.14 -0.52 -4.94 119.74 113.02 1h2x s LYS 327 Ca 0.71 -0.39 -0.22 0.00 -1.36 0.00 0.00 55.97 54.72 1h2x s LYS 327 Cb -0.42 -2.88 0.02 0.00 -1.68 0.00 0.00 37.83 32.88 1h2x s LYS 327 CO 0.49 0.63 0.70 0.08 -0.76 0.00 0.00 175.35 176.49 1h2x s VAL 328 N -0.66 4.77 -0.13 3.17 1.01 -1.26 -0.15 120.40 127.15 1h2x s VAL 328 Ca 0.11 0.34 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 1h2x s VAL 328 Cb -0.12 -4.23 -0.27 0.00 0.00 0.00 0.00 36.38 31.77 1h2x s VAL 328 CO 0.02 -0.59 0.74 0.25 0.00 0.00 0.00 175.10 175.52 1h2x h LEU 329 N 9.81 0.11 -7.29 3.92 5.85 -1.23 -3.43 115.31 123.05 1h2x h LEU 329 Ca -0.25 -0.94 -0.58 0.00 0.84 0.00 0.00 57.88 56.95 1h2x h LEU 329 Cb 1.09 -0.04 -0.40 0.00 0.37 0.00 0.00 40.66 41.69 1h2x h LEU 329 CO 0.91 1.15 -0.76 -0.69 -0.34 0.00 0.00 178.44 178.71 1h2x s VAL 330 N -2.29 1.00 0.88 1.05 1.01 -0.95 -4.30 120.40 116.79 1h2x s VAL 330 Ca -0.19 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 60.41 1h2x s VAL 330 Cb -0.01 -1.62 0.08 0.00 0.00 0.00 0.00 36.38 34.83 1h2x s VAL 330 CO 0.71 -0.49 0.92 -2.65 0.00 0.00 0.00 175.10 173.60 1h2x n PRO 331 N 4.82 -0.16 -2.09 2.72 -0.02 -1.26 -1.41 135.00 137.61 1h2x n PRO 331 Ca -0.05 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.05 1h2x n PRO 331 Cb 0.43 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 1h2x n PRO 331 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1h2x s GLU 332 N -4.06 4.33 0.40 -0.52 2.12 -1.26 -4.80 118.70 114.91 1h2x s GLU 332 Ca 0.66 2.25 -0.18 0.00 0.36 0.00 0.00 54.97 58.05 1h2x s GLU 332 Cb -0.25 -3.06 -0.10 0.00 0.26 0.00 0.00 34.13 30.98 1h2x s GLU 332 CO 0.58 -0.22 0.87 -1.58 -0.54 0.00 0.00 175.26 174.38 1h2x s HIS 333 N -1.14 3.34 0.49 5.30 5.65 -1.26 -4.95 115.29 122.72 1h2x s HIS 333 Ca 0.49 1.45 0.28 0.00 0.25 0.00 0.00 55.06 57.53 1h2x s HIS 333 Cb -0.40 -2.73 1.58 0.00 -1.18 0.00 0.00 32.58 29.85 1h2x s HIS 333 CO 0.54 -0.05 2.15 1.49 -0.65 0.00 0.00 174.74 178.21 1h2x h GLU 334 N 1.97 0.00 0.00 2.88 4.81 -1.98 -3.39 114.58 118.86 1h2x h GLU 334 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1h2x h GLU 334 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1h2x h GLU 334 CO 0.63 0.07 0.00 1.17 -0.73 0.00 0.00 179.01 180.15 1h2x n LYS 335 N -3.77 0.00 -2.53 1.92 4.81 -1.26 -5.04 118.16 112.29 1h2x n LYS 335 Ca -0.02 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.00 1h2x n LYS 335 Cb 0.17 -0.44 -0.04 0.00 0.02 0.00 0.00 35.03 34.75 1h2x n LYS 335 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1h2x s ASP 336 N -1.78 7.24 -0.08 3.14 1.01 -1.26 -4.83 116.67 120.11 1h2x s ASP 336 Ca 0.00 2.00 -0.24 0.00 0.71 0.00 0.00 52.55 55.02 1h2x s ASP 336 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1h2x s ASP 336 CO 0.00 -0.28 0.73 -0.69 0.21 0.00 0.00 175.17 175.14 1h2x s VAL 337 N 0.29 5.01 -0.64 -1.27 1.01 -0.94 -4.37 120.40 119.48 1h2x s VAL 337 Ca 0.52 1.49 -0.26 0.00 0.00 0.00 0.00 61.98 63.74 1h2x s VAL 337 Cb -0.28 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.07 1h2x s VAL 337 CO 0.32 0.21 1.13 -0.22 0.00 0.00 0.00 175.10 176.54 1h2x s LEU 338 N 1.05 3.65 -0.01 3.92 2.96 -0.34 -0.57 118.68 129.34 1h2x s LEU 338 Ca 0.38 -0.37 -0.24 0.00 -0.22 0.00 0.00 54.13 53.67 1h2x s LEU 338 Cb -0.18 -2.76 -0.19 0.00 0.50 0.00 0.00 46.19 43.56 1h2x s LEU 338 CO 0.18 -1.55 1.23 -0.33 -1.32 0.00 0.00 176.35 174.56 1h2x h GLU 339 N 9.67 0.13 -3.02 1.98 5.08 -1.11 -3.45 114.58 123.85 1h2x h GLU 339 Ca -0.27 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1h2x h GLU 339 Cb 1.06 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.20 1h2x h GLU 339 CO 1.20 0.65 0.18 1.67 -1.00 0.00 0.00 179.01 181.71 1h2x s TRP 340 N -4.01 -0.51 -0.00 4.33 1.48 -1.16 -5.03 118.94 114.05 1h2x s TRP 340 Ca -0.16 0.30 -0.00 0.00 -1.06 0.00 0.00 56.10 55.18 1h2x s TRP 340 Cb 0.02 0.53 -0.00 0.00 -1.16 0.00 0.00 33.47 32.86 1h2x s TRP 340 CO 0.71 -0.83 0.00 0.08 -4.06 0.00 0.00 176.95 172.85 1h2x s VAL 341 N -3.72 0.01 0.07 -0.66 1.01 -1.26 -1.39 120.40 114.47 1h2x s VAL 341 Ca 0.01 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1h2x s VAL 341 Cb -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 1h2x s VAL 341 CO -0.13 -0.05 -0.12 0.00 0.00 0.00 0.00 175.10 174.80 1h2x s ALA 342 N -0.15 1.08 -0.12 5.51 0.00 -0.27 -4.90 121.76 122.90 1h2x s ALA 342 Ca -0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1h2x s ALA 342 Cb -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1h2x s ALA 342 CO -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 175.76 175.82 1h2x s VAL 344 N -0.16 0.11 -1.49 0.00 0.11 -0.32 -2.01 120.40 116.65 1h2x s VAL 344 Ca 0.03 -0.92 -0.09 0.00 -2.93 0.00 0.00 61.98 58.07 1h2x s VAL 344 Cb -0.13 -0.83 0.06 0.00 -1.53 0.00 0.00 36.38 33.96 1h2x s VAL 344 CO 0.02 -0.51 0.76 -1.14 -3.33 0.00 0.00 175.10 170.91 1h2x n ARG 345 N 0.84 -4.45 0.00 1.54 0.63 0.28 -1.53 116.66 113.97 1h2x n ARG 345 Ca -0.20 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 1h2x n ARG 345 Cb 0.58 -5.14 0.00 0.00 0.45 0.00 0.00 32.46 28.36 1h2x n ARG 345 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1h2x n SER 346 N -2.88 0.00 -0.28 6.15 7.64 0.18 -4.01 113.62 120.42 1h2x n SER 346 Ca -0.10 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.86 1h2x n SER 346 Cb 0.59 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.95 1h2x n SER 346 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1h2x n ASN 347 N 1.65 2.26 -4.61 6.43 2.04 -1.24 -5.00 115.26 116.79 1h2x n ASN 347 Ca 0.00 -3.32 -0.30 0.00 -0.44 0.00 0.00 54.58 50.51 1h2x n ASN 347 Cb 0.00 -0.47 -0.10 0.00 -2.53 0.00 0.00 39.78 36.69 1h2x n ASN 347 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1h2x s PHE 348 N -2.98 2.83 -0.09 -2.53 0.08 -0.58 -0.98 117.98 113.73 1h2x s PHE 348 Ca 0.34 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 57.33 1h2x s PHE 348 Cb 0.31 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 1h2x s PHE 348 CO 0.01 0.43 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.83 1h2x s LEU 349 N -2.05 1.96 -0.28 -0.37 1.43 0.17 -1.17 118.68 118.37 1h2x s LEU 349 Ca 0.21 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 1h2x s LEU 349 Cb -0.11 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 1h2x s LEU 349 CO 0.13 0.13 0.18 -0.69 0.23 0.00 0.00 176.35 176.33 1h2x s VAL 350 N 0.40 5.19 -0.13 -1.59 1.01 0.91 -0.22 120.40 125.96 1h2x s VAL 350 Ca -0.17 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1h2x s VAL 350 Cb -0.17 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1h2x s VAL 350 CO 0.07 0.25 -0.11 -0.76 0.00 0.00 0.00 175.10 174.56 1h2x s LEU 351 N 1.74 2.86 -0.23 3.92 1.43 0.36 -1.12 118.68 127.64 1h2x s LEU 351 Ca 0.07 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1h2x s LEU 351 Cb -0.16 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.42 1h2x s LEU 351 CO 0.10 0.18 -0.08 0.00 0.23 0.00 0.00 176.35 176.78 1h2x s TYR 353 N 1.35 3.14 -0.27 0.00 2.02 -0.77 -0.50 117.35 122.33 1h2x s TYR 353 Ca 0.02 -0.10 -0.00 0.00 -0.37 0.00 0.00 57.07 56.62 1h2x s TYR 353 Cb -0.16 -1.42 0.05 0.00 -0.40 0.00 0.00 41.96 40.03 1h2x s TYR 353 CO -0.05 0.51 -0.06 -1.17 -1.57 0.00 0.00 175.55 173.21 1h2x s LEU 354 N -3.81 3.49 -0.33 -1.29 2.96 0.27 -1.31 118.68 118.66 1h2x s LEU 354 Ca 0.33 -1.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.02 1h2x s LEU 354 Cb -0.08 -1.64 0.06 0.00 0.50 0.00 0.00 46.19 45.03 1h2x s LEU 354 CO 0.25 -0.19 0.07 -2.28 -1.32 0.00 0.00 176.35 172.88 1h2x s HIS 355 N 1.22 3.32 -1.41 5.38 5.65 0.49 -2.22 115.29 127.72 1h2x s HIS 355 Ca -0.05 -1.84 -0.00 0.00 0.25 0.00 0.00 55.06 53.43 1h2x s HIS 355 Cb -0.19 -2.36 0.00 0.00 -1.18 0.00 0.00 32.58 28.85 1h2x s HIS 355 CO -0.04 -0.81 0.41 -0.25 -0.65 0.00 0.00 174.74 173.40 1h2x n ASP 356 N 4.67 -0.27 -1.57 9.88 8.00 -1.26 -1.53 116.55 134.47 1h2x n ASP 356 Ca -0.11 -1.01 -0.15 0.00 0.71 0.00 0.00 54.79 54.23 1h2x n ASP 356 Cb 0.43 -3.04 -0.03 0.00 -0.02 0.00 0.00 41.12 38.47 1h2x n ASP 356 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1h2x n VAL 357 N -4.40 -0.50 -4.38 2.53 0.31 -1.26 -5.00 118.33 105.62 1h2x n VAL 357 Ca -0.31 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 63.83 1h2x n VAL 357 Cb 0.69 -2.09 -0.15 0.00 -0.91 0.00 0.00 33.84 31.38 1h2x n VAL 357 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1h2x s LYS 358 N -4.30 0.80 0.30 5.55 1.02 -0.58 -4.43 119.74 118.09 1h2x s LYS 358 Ca 0.00 -0.32 -0.18 0.00 0.02 0.00 0.00 55.97 55.49 1h2x s LYS 358 Cb 0.00 -0.76 -0.09 0.00 -0.52 0.00 0.00 37.83 36.46 1h2x s LYS 358 CO 0.00 0.17 0.78 -0.80 -0.92 0.00 0.00 175.35 174.58 1h2x s ASN 359 N -0.10 6.95 0.16 2.83 0.02 -0.28 -0.38 114.94 124.14 1h2x s ASN 359 Ca 0.02 1.43 0.07 0.00 -1.02 0.00 0.00 52.86 53.36 1h2x s ASN 359 Cb -0.05 -2.43 -0.04 0.00 0.02 0.00 0.00 41.25 38.75 1h2x s ASN 359 CO -0.00 -0.12 -0.15 0.42 0.02 0.00 0.00 177.10 177.26 1h2x s THR 360 N -1.80 1.59 -0.02 1.60 -4.23 -0.43 -4.79 115.64 107.57 1h2x s THR 360 Ca 0.51 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1h2x s THR 360 Cb -0.13 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 71.96 1h2x s THR 360 CO 0.19 -0.43 0.01 -0.22 -0.54 0.00 0.00 174.62 173.63 1h2x s LEU 361 N -2.75 1.34 0.14 4.79 1.98 -1.26 -1.85 118.68 121.07 1h2x s LEU 361 Ca 0.15 0.01 -0.10 0.00 -2.89 0.00 0.00 54.13 51.29 1h2x s LEU 361 Cb -0.04 -0.10 0.00 0.00 0.66 0.00 0.00 46.19 46.71 1h2x s LEU 361 CO 0.05 -0.08 0.29 0.00 -1.89 0.00 0.00 176.35 174.71 1h2x s GLN 362 N 0.77 1.07 -0.09 1.98 -2.07 -0.44 -1.22 119.66 119.66 1h2x s GLN 362 Ca -0.07 -1.03 0.02 0.00 -1.82 0.00 0.00 55.36 52.46 1h2x s GLN 362 Cb -0.10 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.19 1h2x s GLN 362 CO -0.02 -0.39 -0.14 -1.17 -1.32 0.00 0.00 175.29 172.26 1h2x s LEU 363 N -2.91 2.70 0.20 2.60 2.96 0.51 -0.49 118.68 124.26 1h2x s LEU 363 Ca 0.11 -0.28 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 1h2x s LEU 363 Cb 0.03 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 1h2x s LEU 363 CO -0.05 0.24 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.08 1h2x s HIS 364 N -0.12 1.68 0.06 5.38 3.76 0.70 -0.25 115.29 126.50 1h2x s HIS 364 Ca -0.01 -0.58 -0.29 0.00 -0.15 0.00 0.00 55.06 54.02 1h2x s HIS 364 Cb -0.14 -0.78 -0.05 0.00 1.11 0.00 0.00 32.58 32.72 1h2x s HIS 364 CO 0.04 0.34 0.95 0.34 -0.85 0.00 0.00 174.74 175.55 1h2x s ASP 365 N -3.29 7.41 0.16 1.40 2.15 -0.05 -0.65 116.67 123.80 1h2x s ASP 365 Ca 0.22 1.70 -0.11 0.00 0.43 0.00 0.00 52.55 54.79 1h2x s ASP 365 Cb -0.01 -2.57 0.05 0.00 -0.30 0.00 0.00 42.92 40.09 1h2x s ASP 365 CO 0.06 -0.14 1.64 0.25 -0.17 0.00 0.00 175.17 176.82 1h2x h LEU 366 N 6.10 0.91 -0.79 -1.34 5.85 -1.37 0.32 115.31 124.98 1h2x h LEU 366 Ca -0.42 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 57.97 1h2x h LEU 366 Cb 1.21 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1h2x h LEU 366 CO 0.73 0.96 0.24 0.00 -0.34 0.00 0.00 178.44 180.03 1h2x h ALA 367 N 0.99 1.02 0.00 1.25 0.00 -1.94 -3.35 119.26 117.23 1h2x h ALA 367 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1h2x h ALA 367 Cb 0.45 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1h2x h ALA 367 CO 0.02 0.66 -1.33 0.25 0.00 0.00 0.00 179.25 178.85 1h2x n THR 368 N -4.26 0.01 -0.83 0.00 -2.24 -1.23 -5.00 114.28 100.74 1h2x n THR 368 Ca 0.06 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1h2x n THR 368 Cb 0.22 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1h2x n THR 368 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h2x n GLY 369 N 2.11 0.76 3.77 3.38 0.00 0.11 -4.85 105.19 110.46 1h2x n GLY 369 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1h2x n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h2x s ALA 370 N -2.86 3.40 0.17 4.61 0.00 -1.25 -4.60 121.76 121.23 1h2x s ALA 370 Ca 0.00 1.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 1h2x s ALA 370 Cb 0.00 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1h2x s ALA 370 CO 0.00 -0.49 1.42 -1.17 0.00 0.00 0.00 175.76 175.52 1h2x s LEU 371 N -1.85 4.38 -0.06 0.00 2.96 -1.26 -0.87 118.68 121.98 1h2x s LEU 371 Ca 0.49 2.48 0.01 0.00 -0.22 0.00 0.00 54.13 56.89 1h2x s LEU 371 Cb -0.36 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.69 1h2x s LEU 371 CO 0.47 -0.67 -0.05 0.18 -1.32 0.00 0.00 176.35 174.95 1h2x n LEU 372 N 3.30 2.83 -3.72 -0.68 4.77 0.66 -4.91 117.00 119.26 1h2x n LEU 372 Ca 0.10 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1h2x n LEU 372 Cb 0.41 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 1h2x n LEU 372 CO 0.59 0.58 0.12 -0.75 -1.33 0.00 0.00 177.39 176.60 1h2x s LYS 373 N -2.13 0.59 -0.16 3.23 2.47 -0.91 -4.99 119.74 117.84 1h2x s LYS 373 Ca -0.08 0.41 -0.04 0.00 -1.56 0.00 0.00 55.97 54.70 1h2x s LYS 373 Cb 0.02 0.28 -0.03 0.00 -1.46 0.00 0.00 37.83 36.64 1h2x s LYS 373 CO 0.15 -0.11 -0.04 0.42 0.16 0.00 0.00 175.35 175.93 1h2x s ILE 374 N -0.22 3.83 -0.37 5.43 1.01 -1.26 -0.36 121.20 129.26 1h2x s ILE 374 Ca -0.04 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 1h2x s ILE 374 Cb -0.03 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.76 1h2x s ILE 374 CO 0.02 0.49 0.40 -0.36 0.00 0.00 0.00 174.94 175.49 1h2x s PHE 375 N 0.44 3.19 0.23 3.97 0.08 -0.36 -5.00 117.98 120.53 1h2x s PHE 375 Ca -0.04 -0.13 -0.31 0.00 0.12 0.00 0.00 56.93 56.58 1h2x s PHE 375 Cb -0.14 -2.76 -0.11 0.00 -0.57 0.00 0.00 43.02 39.44 1h2x s PHE 375 CO 0.03 -0.53 1.58 -1.25 -0.10 0.00 0.00 175.22 174.95 1h2x s PRO 376 N 2.08 4.18 0.02 0.24 0.04 -1.26 -4.30 135.00 136.00 1h2x s PRO 376 Ca 0.12 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1h2x s PRO 376 Cb -0.17 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1h2x s PRO 376 CO 0.12 -0.60 -0.03 -0.51 0.04 0.00 0.00 177.00 176.02 1h2x s LEU 377 N 0.37 2.17 1.01 -3.56 1.43 -1.26 -5.07 118.68 113.76 1h2x s LEU 377 Ca 0.67 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 1h2x s LEU 377 Cb -0.46 0.01 0.22 0.00 0.03 0.00 0.00 46.19 46.00 1h2x s LEU 377 CO 0.39 -0.19 1.33 -1.61 0.23 0.00 0.00 176.35 176.50 1h2x s GLU 378 N -1.02 0.28 -0.13 1.70 0.41 -1.26 -4.95 118.70 113.72 1h2x s GLU 378 Ca -0.10 -0.46 -0.29 0.00 -0.41 0.00 0.00 54.97 53.71 1h2x s GLU 378 Cb -0.07 -1.81 -0.04 0.00 -1.78 0.00 0.00 34.13 30.43 1h2x s GLU 378 CO -0.00 -2.65 1.66 0.08 -0.49 0.00 0.00 175.26 173.86 1h2x s VAL 379 N -3.86 3.61 -2.14 2.63 1.01 -1.26 -4.82 120.40 115.57 1h2x s VAL 379 Ca 0.75 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.45 1h2x s VAL 379 Cb -0.03 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1h2x s VAL 379 CO 0.54 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1h2x n GLY 380 N 4.43 -0.68 3.20 4.51 0.00 -1.26 -4.76 105.19 110.62 1h2x n GLY 380 Ca 0.18 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 1h2x n GLY 380 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h2x s SER 381 N -4.00 1.82 -0.30 1.61 0.01 -0.09 -1.12 113.70 111.62 1h2x s SER 381 Ca 0.00 -0.69 -0.15 0.00 1.31 0.00 0.00 55.95 56.42 1h2x s SER 381 Cb 0.00 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 1h2x s SER 381 CO 0.00 -0.09 0.36 -0.69 0.41 0.00 0.00 173.24 173.23 1h2x s VAL 382 N -1.57 5.17 -0.66 3.43 1.01 -1.26 -1.05 120.40 125.48 1h2x s VAL 382 Ca 0.02 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.38 1h2x s VAL 382 Cb -0.08 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.65 1h2x s VAL 382 CO 0.03 0.04 0.88 1.33 0.00 0.00 0.00 175.10 177.38 1h2x n VAL 383 N 5.18 0.43 -3.55 2.92 0.24 0.57 -5.00 118.33 119.12 1h2x n VAL 383 Ca -0.09 -0.71 -0.17 0.00 -2.04 0.00 0.00 64.34 61.33 1h2x n VAL 383 Cb 0.50 0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 33.67 1h2x n VAL 383 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1h2x s GLY 384 N -0.72 -0.52 -0.17 7.63 0.00 -1.19 -4.93 107.32 107.42 1h2x s GLY 384 Ca 0.10 1.14 -0.28 0.00 0.00 0.00 0.00 44.72 45.67 1h2x s GLY 384 CO 0.08 0.80 0.76 -0.47 0.00 0.00 0.00 173.10 174.27 1h2x s TYR 385 N -1.35 -0.66 -0.01 1.90 5.04 -1.26 -0.81 117.35 120.20 1h2x s TYR 385 Ca -0.11 1.39 -0.03 0.00 -2.44 0.00 0.00 57.07 55.88 1h2x s TYR 385 Cb -0.01 0.35 -0.00 0.00 0.35 0.00 0.00 41.96 42.66 1h2x s TYR 385 CO 0.08 -0.46 0.06 -1.54 -1.34 0.00 0.00 175.55 172.36 1h2x s SER 386 N -0.43 0.04 0.00 4.32 1.04 -0.21 -4.98 113.70 113.49 1h2x s SER 386 Ca -0.04 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1h2x s SER 386 Cb -0.02 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1h2x s SER 386 CO 0.04 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1h2x n GLY 387 N 2.18 1.56 4.01 7.32 0.00 -1.26 -2.01 105.19 117.00 1h2x n GLY 387 Ca -0.19 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1h2x n GLY 387 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h2x s GLN 388 N 0.00 2.24 0.27 1.61 -2.07 -1.26 -4.49 119.66 115.96 1h2x s GLN 388 Ca 0.00 -1.35 0.01 0.00 -1.82 0.00 0.00 55.36 52.20 1h2x s GLN 388 Cb 0.00 -2.56 0.62 0.00 -1.09 0.00 0.00 33.01 29.98 1h2x s GLN 388 CO 0.00 -0.92 1.72 -0.22 -1.32 0.00 0.00 175.29 174.55 1h2x h LYS 389 N 0.04 0.45 0.00 9.60 3.64 -1.75 -0.44 116.57 128.11 1h2x h LYS 389 Ca -0.34 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1h2x h LYS 389 Cb 1.28 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1h2x h LYS 389 CO 0.42 0.30 -0.06 0.36 -2.27 0.00 0.00 179.45 178.21 1h2x n LYS 390 N -4.99 0.14 -1.98 1.90 2.85 -1.26 -0.64 118.16 114.18 1h2x n LYS 390 Ca 0.19 0.11 -0.32 0.00 -1.05 0.00 0.00 58.31 57.24 1h2x n LYS 390 Cb 0.55 -1.66 0.02 0.00 -0.65 0.00 0.00 35.03 33.29 1h2x n LYS 390 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1h2x s ASP 391 N -3.80 5.75 -0.14 -5.58 1.01 -0.18 -4.80 116.67 108.93 1h2x s ASP 391 Ca 0.12 1.77 0.18 0.00 0.71 0.00 0.00 52.55 55.32 1h2x s ASP 391 Cb 0.15 -2.52 0.31 0.00 1.01 0.00 0.00 42.92 41.87 1h2x s ASP 391 CO 0.58 -1.19 1.16 0.35 0.21 0.00 0.00 175.17 176.28 1h2x n THR 392 N -2.21 1.92 -3.59 -1.27 -2.24 -1.26 -0.55 114.28 105.07 1h2x n THR 392 Ca 0.08 -2.40 -0.12 0.00 -2.27 0.00 0.00 64.05 59.35 1h2x n THR 392 Cb 0.53 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 1h2x n THR 392 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1h2x s GLU 393 N -2.90 1.07 0.13 -0.78 -1.05 -1.26 -0.88 118.70 113.04 1h2x s GLU 393 Ca 0.33 -0.49 0.07 0.00 -0.15 0.00 0.00 54.97 54.72 1h2x s GLU 393 Cb 0.29 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 34.42 1h2x s GLU 393 CO 0.01 -0.41 -0.16 0.96 0.95 0.00 0.00 175.26 176.61 1h2x s ILE 394 N -3.23 1.53 0.03 1.83 -4.36 -0.47 -4.49 121.20 112.03 1h2x s ILE 394 Ca -0.01 -1.76 0.05 0.00 -0.26 0.00 0.00 60.65 58.68 1h2x s ILE 394 Cb 0.00 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 42.07 1h2x s ILE 394 CO -0.08 -0.34 -0.16 -0.36 0.24 0.00 0.00 174.94 174.24 1h2x s PHE 395 N -1.99 1.40 -0.08 1.37 0.40 -0.85 -1.01 117.98 117.22 1h2x s PHE 395 Ca 0.11 -0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 1h2x s PHE 395 Cb -0.06 -0.85 0.03 0.00 0.51 0.00 0.00 43.02 42.65 1h2x s PHE 395 CO 0.04 0.04 0.31 1.52 0.70 0.00 0.00 175.22 177.83 1h2x s TYR 396 N -0.72 -0.28 -0.13 0.36 1.13 -0.68 -1.04 117.35 115.99 1h2x s TYR 396 Ca 0.04 0.61 -0.01 0.00 -1.41 0.00 0.00 57.07 56.31 1h2x s TYR 396 Cb -0.08 0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.87 1h2x s TYR 396 CO 0.01 -0.25 -0.10 -1.14 -2.51 0.00 0.00 175.55 171.56 1h2x s GLN 397 N -0.42 3.37 0.00 -3.49 0.74 0.01 -0.27 119.66 119.61 1h2x s GLN 397 Ca -0.05 -0.63 0.05 0.00 0.05 0.00 0.00 55.36 54.78 1h2x s GLN 397 Cb -0.04 -2.69 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 1h2x s GLN 397 CO 0.02 0.28 -0.14 0.12 -0.55 0.00 0.00 175.29 175.02 1h2x s PHE 398 N 0.20 2.69 0.14 1.67 5.36 0.18 -0.32 117.98 127.90 1h2x s PHE 398 Ca -0.06 -0.17 -0.05 0.00 -0.96 0.00 0.00 56.93 55.69 1h2x s PHE 398 Cb -0.15 -1.55 -0.02 0.00 -0.34 0.00 0.00 43.02 40.95 1h2x s PHE 398 CO 0.04 0.26 0.16 -0.08 -1.46 0.00 0.00 175.22 174.14 1h2x s THR 399 N -0.88 0.09 0.32 0.12 -1.32 -0.21 -1.27 115.64 112.49 1h2x s THR 399 Ca 0.14 -1.64 -0.06 0.00 -1.21 0.00 0.00 61.69 58.92 1h2x s THR 399 Cb -0.11 -1.89 0.02 0.00 -1.51 0.00 0.00 72.50 69.01 1h2x s THR 399 CO 0.04 -0.43 0.51 -1.54 -2.21 0.00 0.00 174.62 171.00 1h2x n SER 400 N -0.13 -1.46 0.12 8.08 3.41 -1.18 -0.92 113.62 121.54 1h2x n SER 400 Ca -0.07 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1h2x n SER 400 Cb 0.63 2.59 0.31 0.00 -0.26 0.00 0.00 64.21 67.48 1h2x n SER 400 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1h2x h PHE 401 N 1.87 0.21 -0.01 7.33 0.04 -1.86 -2.17 116.94 122.35 1h2x h PHE 401 Ca -0.25 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1h2x h PHE 401 Cb 1.04 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.14 1h2x h PHE 401 CO 0.00 0.48 -0.64 1.28 -0.60 0.00 0.00 178.31 178.83 1h2x n LEU 402 N -4.13 1.27 -3.88 1.54 4.77 -1.26 -4.41 117.00 110.90 1h2x n LEU 402 Ca -0.01 -0.62 -0.11 0.00 -0.03 0.00 0.00 56.01 55.24 1h2x n LEU 402 Cb 0.39 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1h2x n LEU 402 CO 0.40 0.27 -0.32 -0.55 -1.33 0.00 0.00 177.39 175.85 1h2x s SER 403 N -2.44 0.02 0.28 -1.43 0.15 -1.25 -4.61 113.70 104.42 1h2x s SER 403 Ca 0.11 -0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.73 1h2x s SER 403 Cb 0.14 0.08 0.62 0.00 -1.71 0.00 0.00 66.02 65.15 1h2x s SER 403 CO 0.62 -0.08 1.78 -0.65 1.20 0.00 0.00 173.24 176.11 1h2x h PRO 404 N 5.74 0.74 0.00 5.44 0.11 -1.85 -3.12 132.00 139.05 1h2x h PRO 404 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1h2x h PRO 404 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1h2x h PRO 404 CO 0.47 0.49 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 1h2x n GLY 405 N -1.33 0.65 2.95 -0.55 0.00 -1.26 -4.52 105.19 101.14 1h2x n GLY 405 Ca 0.20 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 1h2x n GLY 405 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h2x s ILE 406 N -0.80 0.25 -0.20 -0.61 1.01 -0.40 -3.98 121.20 116.48 1h2x s ILE 406 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 1h2x s ILE 406 Cb 0.00 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 1h2x s ILE 406 CO 0.00 -0.11 0.02 -0.63 0.00 0.00 0.00 174.94 174.21 1h2x s ILE 407 N -0.53 4.15 0.18 2.92 1.01 0.18 -0.65 121.20 128.46 1h2x s ILE 407 Ca -0.04 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.42 1h2x s ILE 407 Cb -0.04 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1h2x s ILE 407 CO -0.00 0.42 0.15 -0.31 0.00 0.00 0.00 174.94 175.20 1h2x s TYR 408 N 0.94 3.15 0.01 3.97 2.02 0.63 -0.31 117.35 127.75 1h2x s TYR 408 Ca 0.02 -0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.72 1h2x s TYR 408 Cb -0.14 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 1h2x s TYR 408 CO 0.02 0.52 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.83 1h2x s HIS 409 N -1.81 0.98 -0.10 2.71 5.65 -0.10 -1.69 115.29 120.94 1h2x s HIS 409 Ca 0.31 -0.23 -0.03 0.00 0.25 0.00 0.00 55.06 55.36 1h2x s HIS 409 Cb -0.10 -0.62 0.05 0.00 -1.18 0.00 0.00 32.58 30.73 1h2x s HIS 409 CO 0.24 -0.01 0.10 0.00 -0.65 0.00 0.00 174.74 174.42 1h2x s ASP 411 N 2.19 6.66 0.00 0.00 -1.08 -1.26 -1.37 116.67 121.81 1h2x s ASP 411 Ca 0.04 0.52 0.24 0.00 -0.52 0.00 0.00 52.55 52.83 1h2x s ASP 411 Cb -0.13 -2.54 1.40 0.00 -1.46 0.00 0.00 42.92 40.19 1h2x s ASP 411 CO -0.06 -1.17 1.90 0.18 0.52 0.00 0.00 175.17 176.54 1h2x n LEU 412 N 7.62 0.05 -0.21 -1.34 4.77 -0.05 -2.90 117.00 124.93 1h2x n LEU 412 Ca 0.11 -0.02 0.13 0.00 -0.03 0.00 0.00 56.01 56.20 1h2x n LEU 412 Cb 0.49 -0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.92 1h2x n LEU 412 CO 0.69 0.01 0.61 0.35 -1.33 0.00 0.00 177.39 177.72 1h2x n THR 413 N -0.84 0.00 -3.19 -5.08 -2.24 -1.24 -4.84 114.28 96.85 1h2x n THR 413 Ca 0.18 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.46 1h2x n THR 413 Cb 0.09 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.66 1h2x n THR 413 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1h2x s LYS 414 N -2.59 4.34 0.26 -0.78 -0.14 -1.14 -5.00 119.74 114.69 1h2x s LYS 414 Ca 0.22 0.72 -0.06 0.00 -1.36 0.00 0.00 55.97 55.49 1h2x s LYS 414 Cb 0.19 -3.37 0.48 0.00 -1.68 0.00 0.00 37.83 33.44 1h2x s LYS 414 CO 0.55 0.28 1.62 1.49 -0.76 0.00 0.00 175.35 178.54 1h2x h GLU 415 N 5.99 0.08 -0.00 1.68 4.57 -1.90 -1.79 114.58 123.22 1h2x h GLU 415 Ca -0.44 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1h2x h GLU 415 Cb 1.20 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1h2x h GLU 415 CO 0.71 0.05 -0.16 0.39 -1.18 0.00 0.00 179.01 178.83 1h2x n GLU 416 N -5.38 0.35 -3.87 1.92 -0.58 -1.26 -4.96 120.64 106.86 1h2x n GLU 416 Ca 0.15 -0.11 -0.28 0.00 -0.42 0.00 0.00 57.16 56.49 1h2x n GLU 416 Cb 0.51 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.91 1h2x n GLU 416 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1h2x n LEU 417 N -1.23 -2.66 -4.70 -4.62 4.77 -0.67 -4.94 117.00 102.96 1h2x n LEU 417 Ca 0.11 -0.79 -0.42 0.00 -0.03 0.00 0.00 56.01 54.88 1h2x n LEU 417 Cb 0.30 -2.57 -0.03 0.00 -2.33 0.00 0.00 43.42 38.79 1h2x n LEU 417 CO 0.27 0.46 0.70 -1.61 -1.33 0.00 0.00 177.39 175.87 1h2x s GLU 418 N -6.49 4.47 0.58 3.23 0.41 -1.26 -4.96 118.70 114.68 1h2x s GLU 418 Ca 0.52 1.33 -0.06 0.00 -0.41 0.00 0.00 54.97 56.35 1h2x s GLU 418 Cb -0.26 -3.50 0.01 0.00 -1.78 0.00 0.00 34.13 28.59 1h2x s GLU 418 CO 0.83 -0.17 0.89 -1.25 -0.49 0.00 0.00 175.26 175.07 1h2x s PRO 419 N 1.50 2.95 0.03 0.39 0.04 -1.26 -4.43 135.00 134.22 1h2x s PRO 419 Ca 0.48 0.00 -0.06 0.00 0.04 0.00 0.00 61.00 61.47 1h2x s PRO 419 Cb -0.19 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1h2x s PRO 419 CO 0.22 -0.67 0.10 -0.98 0.04 0.00 0.00 177.00 175.70 1h2x s ARG 420 N -4.97 0.55 -0.00 4.56 1.70 0.28 -4.97 118.95 116.10 1h2x s ARG 420 Ca 0.54 -0.66 -0.30 0.00 -0.47 0.00 0.00 55.73 54.83 1h2x s ARG 420 Cb -0.11 0.22 -0.06 0.00 -0.57 0.00 0.00 34.95 34.44 1h2x s ARG 420 CO 0.45 -0.13 1.45 0.08 -1.08 0.00 0.00 175.30 176.06 1h2x s VAL 421 N -2.25 3.64 -0.25 4.99 1.01 -1.26 -0.93 120.40 125.35 1h2x s VAL 421 Ca -0.08 1.00 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1h2x s VAL 421 Cb -0.03 -3.65 -0.16 0.00 0.00 0.00 0.00 36.38 32.55 1h2x s VAL 421 CO -0.03 -0.01 -0.23 0.33 0.00 0.00 0.00 175.10 175.16 1h2x n PHE 422 N 5.59 0.00 -3.75 5.22 7.35 0.57 -4.86 117.46 127.58 1h2x n PHE 422 Ca 0.14 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.70 1h2x n PHE 422 Cb 0.43 -0.95 -0.12 0.00 0.35 0.00 0.00 39.48 39.19 1h2x n PHE 422 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1h2x s ARG 423 N -2.49 0.26 -0.17 -4.13 6.06 -0.80 -4.99 118.95 112.69 1h2x s ARG 423 Ca -0.34 0.45 -0.05 0.00 -2.50 0.00 0.00 55.73 53.30 1h2x s ARG 423 Cb 0.09 0.02 0.08 0.00 0.06 0.00 0.00 34.95 35.20 1h2x s ARG 423 CO 0.56 -0.10 0.30 -2.00 -2.50 0.00 0.00 175.30 171.56 1h2x s GLU 424 N 0.70 0.21 -0.02 5.12 2.12 -1.26 -0.65 118.70 124.93 1h2x s GLU 424 Ca -0.05 0.70 0.06 0.00 0.36 0.00 0.00 54.97 56.04 1h2x s GLU 424 Cb -0.06 -0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.13 1h2x s GLU 424 CO -0.04 -0.37 -0.18 0.14 -0.54 0.00 0.00 175.26 174.26 1h2x s VAL 425 N 2.46 2.72 0.09 3.70 -7.23 -1.26 -5.10 120.40 115.78 1h2x s VAL 425 Ca 0.03 -0.93 0.10 0.00 -1.81 0.00 0.00 61.98 59.37 1h2x s VAL 425 Cb -0.13 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 1h2x s VAL 425 CO -0.11 0.53 -0.26 0.42 -0.31 0.00 0.00 175.10 175.37 1h2x s THR 426 N -0.74 2.24 -0.45 5.32 -4.23 -1.26 -4.47 115.64 112.05 1h2x s THR 426 Ca 0.12 -1.56 -0.20 0.00 -1.18 0.00 0.00 61.69 58.87 1h2x s THR 426 Cb -0.10 -1.93 0.03 0.00 1.34 0.00 0.00 72.50 71.83 1h2x s THR 426 CO 0.01 0.23 0.59 -0.69 -0.54 0.00 0.00 174.62 174.21 1h2x s VAL 427 N -0.94 4.90 0.09 2.29 1.01 -1.26 -5.00 120.40 121.49 1h2x s VAL 427 Ca 0.13 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.68 1h2x s VAL 427 Cb -0.10 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 1h2x s VAL 427 CO 0.04 -0.59 1.37 -0.54 0.00 0.00 0.00 175.10 175.38 1h2x s LYS 428 N 2.61 4.33 0.00 2.72 1.02 -1.26 -2.81 119.74 126.35 1h2x s LYS 428 Ca 0.18 2.02 0.00 0.00 0.02 0.00 0.00 55.97 58.20 1h2x s LYS 428 Cb -0.16 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1h2x s LYS 428 CO 0.16 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 1h2x n GLY 429 N 3.48 1.34 3.09 -3.33 0.00 -1.26 -4.89 105.19 103.62 1h2x n GLY 429 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1h2x n GLY 429 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h2x s ILE 430 N -1.38 1.69 -0.43 -0.61 -1.09 -1.12 -5.09 121.20 113.16 1h2x s ILE 430 Ca 0.00 -0.75 -0.11 0.00 -2.23 0.00 0.00 60.65 57.56 1h2x s ILE 430 Cb 0.00 -1.53 0.07 0.00 -1.58 0.00 0.00 42.46 39.42 1h2x s ILE 430 CO 0.00 0.48 0.29 -0.62 -1.23 0.00 0.00 174.94 173.86 1h2x s ASP 431 N 1.02 5.81 0.37 3.58 2.15 -1.26 -4.78 116.67 123.57 1h2x s ASP 431 Ca -0.05 -1.36 0.12 0.00 0.43 0.00 0.00 52.55 51.70 1h2x s ASP 431 Cb -0.15 -2.05 0.92 0.00 -0.30 0.00 0.00 42.92 41.34 1h2x s ASP 431 CO -0.03 -0.54 1.85 0.00 -0.17 0.00 0.00 175.17 176.27 1h2x h ALA 432 N 8.52 1.97 0.00 3.66 0.00 -1.95 -1.12 119.26 130.34 1h2x h ALA 432 Ca -0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1h2x h ALA 432 Cb 1.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1h2x h ALA 432 CO 0.78 -0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 1h2x n SER 433 N -4.57 0.17 0.09 0.00 3.41 -1.26 -1.89 113.62 109.56 1h2x n SER 433 Ca 0.19 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 1h2x n SER 433 Cb 0.58 -0.59 0.36 0.00 -0.26 0.00 0.00 64.21 64.31 1h2x n SER 433 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1h2x n ASP 434 N -1.70 0.75 -4.53 4.04 8.00 -0.42 -4.89 116.55 117.79 1h2x n ASP 434 Ca 0.02 0.46 -0.25 0.00 0.71 0.00 0.00 54.79 55.73 1h2x n ASP 434 Cb 0.12 -0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 40.55 1h2x n ASP 434 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1h2x s TYR 435 N -3.11 2.29 0.04 1.24 2.02 -0.79 -1.26 117.35 117.78 1h2x s TYR 435 Ca 0.10 -0.64 -0.04 0.00 -0.37 0.00 0.00 57.07 56.11 1h2x s TYR 435 Cb 0.13 -1.43 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 1h2x s TYR 435 CO 0.62 0.41 0.06 1.14 -1.57 0.00 0.00 175.55 176.22 1h2x s GLN 436 N -3.70 0.55 -0.13 -0.62 -2.07 -0.31 -4.79 119.66 108.59 1h2x s GLN 436 Ca 0.33 -0.79 0.03 0.00 -1.82 0.00 0.00 55.36 53.11 1h2x s GLN 436 Cb 0.06 0.21 0.01 0.00 -1.09 0.00 0.00 33.01 32.19 1h2x s GLN 436 CO 0.16 -0.13 -0.22 0.99 -1.32 0.00 0.00 175.29 174.77 1h2x s THR 437 N -2.59 2.09 0.12 3.63 2.01 -1.26 -1.73 115.64 117.90 1h2x s THR 437 Ca -0.05 -0.98 0.10 0.00 0.31 0.00 0.00 61.69 61.06 1h2x s THR 437 Cb -0.01 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1h2x s THR 437 CO -0.05 0.55 -0.24 0.68 -0.69 0.00 0.00 174.62 174.87 1h2x s VAL 438 N 0.66 2.03 -0.13 3.82 -7.23 -0.08 -4.96 120.40 114.51 1h2x s VAL 438 Ca -0.11 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 1h2x s VAL 438 Cb -0.16 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1h2x s VAL 438 CO 0.02 0.04 -0.20 -1.58 -0.31 0.00 0.00 175.10 173.07 1h2x s GLN 439 N -1.97 3.12 0.28 4.82 0.74 -1.26 -0.68 119.66 124.71 1h2x s GLN 439 Ca 0.11 -0.82 0.05 0.00 0.05 0.00 0.00 55.36 54.75 1h2x s GLN 439 Cb -0.10 -2.46 -0.06 0.00 1.10 0.00 0.00 33.01 31.49 1h2x s GLN 439 CO 0.05 0.08 -0.00 0.96 -0.55 0.00 0.00 175.29 175.83 1h2x s ILE 440 N 0.61 1.33 -0.13 -2.34 -5.25 -0.25 -4.97 121.20 110.20 1h2x s ILE 440 Ca -0.11 -2.06 -0.00 0.00 -0.99 0.00 0.00 60.65 57.49 1h2x s ILE 440 Cb -0.16 -2.54 0.02 0.00 2.95 0.00 0.00 42.46 42.73 1h2x s ILE 440 CO 0.03 -0.21 -0.09 -0.36 -1.79 0.00 0.00 174.94 172.52 1h2x s PHE 441 N -3.22 1.71 0.01 1.37 0.40 -1.26 -0.76 117.98 116.23 1h2x s PHE 441 Ca 0.31 -0.91 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1h2x s PHE 441 Cb 0.06 -1.35 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 1h2x s PHE 441 CO 0.12 -0.57 -0.11 1.52 0.70 0.00 0.00 175.22 176.88 1h2x s TYR 442 N 1.64 2.75 0.26 0.36 -0.85 -0.24 -4.81 117.35 116.45 1h2x s TYR 442 Ca 0.05 -0.13 -0.30 0.00 -0.52 0.00 0.00 57.07 56.18 1h2x s TYR 442 Cb -0.13 -1.57 -0.09 0.00 0.38 0.00 0.00 41.96 40.55 1h2x s TYR 442 CO -0.09 0.30 0.99 -1.25 -1.52 0.00 0.00 175.55 173.98 1h2x s PRO 443 N -1.31 4.77 0.56 -3.49 0.04 -1.26 -0.27 135.00 134.05 1h2x s PRO 443 Ca 0.15 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 1h2x s PRO 443 Cb -0.11 -3.21 0.12 0.00 0.04 0.00 0.00 34.50 31.33 1h2x s PRO 443 CO 0.06 0.41 0.77 0.45 0.04 0.00 0.00 177.00 178.73 1h2x n SER 444 N 1.32 0.80 -0.26 6.66 2.88 0.76 -4.89 113.62 120.90 1h2x n SER 444 Ca -0.01 -1.73 0.06 0.00 -1.33 0.00 0.00 58.87 55.86 1h2x n SER 444 Cb 0.47 -0.52 0.20 0.00 -0.75 0.00 0.00 64.21 63.60 1h2x n SER 444 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1h2x h LYS 445 N 0.00 0.39 -0.16 -1.46 3.64 -1.88 0.81 116.57 117.91 1h2x h LYS 445 Ca -0.25 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1h2x h LYS 445 Cb 0.88 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1h2x h LYS 445 CO 0.25 0.26 0.00 -0.40 -2.27 0.00 0.00 179.45 177.29 1h2x n ASP 446 N -5.04 1.19 0.00 4.20 5.68 -1.26 -4.91 116.55 116.41 1h2x n ASP 446 Ca 0.15 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1h2x n ASP 446 Cb 0.45 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1h2x n ASP 446 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h2x n GLY 447 N 0.97 1.02 3.74 6.12 0.00 0.28 -5.04 105.19 112.28 1h2x n GLY 447 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1h2x n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h2x s THR 448 N -2.35 2.53 -0.15 2.61 2.01 -1.26 -4.46 115.64 114.57 1h2x s THR 448 Ca 0.00 0.43 -0.25 0.00 0.31 0.00 0.00 61.69 62.17 1h2x s THR 448 Cb 0.00 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 1h2x s THR 448 CO 0.00 0.06 0.83 -0.54 -0.69 0.00 0.00 174.62 174.28 1h2x s LYS 449 N -0.03 4.33 -0.12 4.92 -0.14 -1.26 -0.17 119.74 127.27 1h2x s LYS 449 Ca 0.63 1.04 -0.01 0.00 -1.36 0.00 0.00 55.97 56.26 1h2x s LYS 449 Cb -0.43 -3.55 -0.02 0.00 -1.68 0.00 0.00 37.83 32.14 1h2x s LYS 449 CO 0.41 -0.27 -0.08 0.42 -0.76 0.00 0.00 175.35 175.06 1h2x s ILE 450 N 1.95 3.50 0.48 2.17 -1.09 0.63 -4.87 121.20 123.96 1h2x s ILE 450 Ca 0.39 -0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 58.09 1h2x s ILE 450 Cb -0.17 -2.48 -0.09 0.00 -1.58 0.00 0.00 42.46 38.15 1h2x s ILE 450 CO 0.14 0.53 1.03 -2.84 -1.23 0.00 0.00 174.94 172.57 1h2x s PRO 451 N 0.02 3.83 -0.15 2.79 0.02 -1.26 -1.08 135.00 139.17 1h2x s PRO 451 Ca -0.02 1.33 -0.08 0.00 0.02 0.00 0.00 61.00 62.25 1h2x s PRO 451 Cb -0.14 -2.10 0.06 0.00 0.02 0.00 0.00 34.50 32.34 1h2x s PRO 451 CO 0.03 -0.40 0.36 1.41 -0.33 0.00 0.00 177.00 178.08 1h2x s MET 452 N -3.25 0.33 -0.02 5.54 1.75 0.06 -0.75 119.30 122.97 1h2x s MET 452 Ca 0.67 0.71 -0.14 0.00 -1.25 0.00 0.00 55.69 55.68 1h2x s MET 452 Cb -0.16 -0.05 -0.05 0.00 2.84 0.00 0.00 34.83 37.41 1h2x s MET 452 CO 0.20 -0.16 0.38 -0.06 -0.65 0.00 0.00 175.02 174.72 1h2x s PHE 453 N 1.37 3.71 -0.07 4.11 0.08 -0.28 -1.09 117.98 125.82 1h2x s PHE 453 Ca -0.09 0.94 0.01 0.00 0.12 0.00 0.00 56.93 57.91 1h2x s PHE 453 Cb -0.09 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.12 1h2x s PHE 453 CO -0.11 0.64 -0.08 0.42 -0.10 0.00 0.00 175.22 175.99 1h2x s ILE 454 N -1.02 0.88 -0.13 0.64 1.01 0.14 -1.19 121.20 121.53 1h2x s ILE 454 Ca 0.23 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1h2x s ILE 454 Cb -0.16 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1h2x s ILE 454 CO 0.12 0.31 -0.16 -0.69 0.00 0.00 0.00 174.94 174.52 1h2x s VAL 455 N 1.06 2.70 0.24 2.92 1.01 0.27 -0.90 120.40 127.70 1h2x s VAL 455 Ca -0.08 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1h2x s VAL 455 Cb -0.14 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1h2x s VAL 455 CO -0.01 0.53 0.61 -1.38 0.00 0.00 0.00 175.10 174.85 1h2x s HIS 456 N 0.50 -0.07 0.30 5.22 -3.43 -0.71 -1.06 115.29 116.04 1h2x s HIS 456 Ca -0.11 -0.32 -0.29 0.00 -0.80 0.00 0.00 55.06 53.54 1h2x s HIS 456 Cb -0.16 0.50 -0.10 0.00 -1.43 0.00 0.00 32.58 31.39 1h2x s HIS 456 CO 0.05 -1.08 1.25 0.21 -2.00 0.00 0.00 174.74 173.17 1h2x s LYS 457 N -3.92 4.44 0.50 -0.38 2.20 -1.26 -1.16 119.74 120.16 1h2x s LYS 457 Ca 0.12 2.08 -0.23 0.00 -0.36 0.00 0.00 55.97 57.59 1h2x s LYS 457 Cb -0.03 -3.12 -0.06 0.00 -1.51 0.00 0.00 37.83 33.11 1h2x s LYS 457 CO 0.04 -0.08 1.32 0.15 -0.36 0.00 0.00 175.35 176.42 1h2x s LYS 458 N -1.52 3.41 0.00 4.03 1.02 -0.39 -3.48 119.74 122.81 1h2x s LYS 458 Ca 0.48 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.62 1h2x s LYS 458 Cb -0.37 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 1h2x s LYS 458 CO 0.48 -0.94 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 1h2x n GLY 459 N 0.64 0.42 3.77 -3.33 0.00 -1.26 -5.02 105.19 100.42 1h2x n GLY 459 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1h2x n GLY 459 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h2x s ILE 460 N -1.89 3.11 -0.07 -0.61 -4.36 -1.23 -4.99 121.20 111.16 1h2x s ILE 460 Ca 0.00 0.67 -0.21 0.00 -0.26 0.00 0.00 60.65 60.85 1h2x s ILE 460 Cb 0.00 -3.25 -0.04 0.00 1.25 0.00 0.00 42.46 40.42 1h2x s ILE 460 CO 0.00 -0.18 0.60 -0.54 0.24 0.00 0.00 174.94 175.07 1h2x s LYS 461 N -3.41 4.38 -1.47 0.37 1.02 -1.26 -4.96 119.74 114.41 1h2x s LYS 461 Ca 0.72 0.70 -0.11 0.00 0.02 0.00 0.00 55.97 57.30 1h2x s LYS 461 Cb -0.24 -3.43 0.03 0.00 -0.52 0.00 0.00 37.83 33.67 1h2x s LYS 461 CO 0.30 0.15 2.39 1.28 -0.92 0.00 0.00 175.35 178.55 1h2x n LEU 462 N 3.56 7.47 -1.03 3.17 4.77 -1.26 -4.51 117.00 129.16 1h2x n LEU 462 Ca -0.04 -4.34 0.10 0.00 -0.03 0.00 0.00 56.01 51.69 1h2x n LEU 462 Cb 0.51 -1.58 0.22 0.00 -2.33 0.00 0.00 43.42 40.25 1h2x n LEU 462 CO 0.45 1.50 0.68 -0.90 -1.33 0.00 0.00 177.39 177.80 1h2x n ASP 463 N 4.69 3.37 -0.06 -1.43 5.68 -1.06 -4.41 116.55 123.33 1h2x n ASP 463 Ca 0.58 -1.95 -0.01 0.00 -0.50 0.00 0.00 54.79 52.91 1h2x n ASP 463 Cb 0.33 -0.30 -0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1h2x n ASP 463 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h2x n GLY 464 N 1.23 0.44 0.14 6.12 0.00 0.96 -4.91 105.19 109.17 1h2x n GLY 464 Ca 0.18 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1h2x n GLY 464 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h2x n SER 465 N -0.02 0.72 -4.84 1.61 3.41 -1.26 -3.12 113.62 110.13 1h2x n SER 465 Ca -0.01 -0.57 -0.36 0.00 -0.26 0.00 0.00 58.87 57.67 1h2x n SER 465 Cb 0.13 0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1h2x n SER 465 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1h2x s HIS 466 N -2.68 3.65 0.39 7.33 3.76 -1.25 -4.99 115.29 121.50 1h2x s HIS 466 Ca 0.20 1.07 -0.25 0.00 -0.15 0.00 0.00 55.06 55.93 1h2x s HIS 466 Cb 0.19 -2.37 -0.09 0.00 1.11 0.00 0.00 32.58 31.42 1h2x s HIS 466 CO 0.57 0.49 1.12 -2.14 -0.85 0.00 0.00 174.74 173.92 1h2x s PRO 467 N -1.71 4.16 0.08 8.40 0.02 -1.26 -4.30 135.00 140.39 1h2x s PRO 467 Ca 0.34 1.71 0.05 0.00 0.02 0.00 0.00 61.00 63.13 1h2x s PRO 467 Cb -0.16 -2.68 -0.03 0.00 0.02 0.00 0.00 34.50 31.65 1h2x s PRO 467 CO 0.18 -0.20 -0.15 0.00 -0.33 0.00 0.00 177.00 176.51 1h2x s ALA 468 N -1.48 1.28 -0.25 -1.55 0.00 -0.53 -0.98 121.76 118.25 1h2x s ALA 468 Ca 0.56 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1h2x s ALA 468 Cb -0.28 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 22.81 1h2x s ALA 468 CO 0.35 0.17 -0.02 0.12 0.00 0.00 0.00 175.76 176.38 1h2x s PHE 469 N -1.43 2.41 -0.24 0.00 5.36 0.28 -0.84 117.98 123.52 1h2x s PHE 469 Ca 0.01 -1.86 -0.07 0.00 -0.96 0.00 0.00 56.93 54.04 1h2x s PHE 469 Cb -0.09 -1.73 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 1h2x s PHE 469 CO 0.02 -0.80 0.06 -1.17 -1.46 0.00 0.00 175.22 171.88 1h2x s LEU 470 N 1.39 3.43 0.01 6.12 2.96 0.06 -0.70 118.68 131.95 1h2x s LEU 470 Ca -0.02 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1h2x s LEU 470 Cb -0.19 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1h2x s LEU 470 CO -0.09 -0.02 -0.09 -0.47 -1.32 0.00 0.00 176.35 174.36 1h2x s TYR 471 N 1.52 2.82 0.17 5.38 5.04 0.31 -1.28 117.35 131.30 1h2x s TYR 471 Ca 0.06 -0.08 -0.20 0.00 -2.44 0.00 0.00 57.07 54.40 1h2x s TYR 471 Cb -0.15 -1.58 0.05 0.00 0.35 0.00 0.00 41.96 40.63 1h2x s TYR 471 CO 0.03 0.35 0.55 0.20 -1.34 0.00 0.00 175.55 175.34 1h2x s GLY 472 N -1.43 -0.42 0.00 8.97 0.00 -1.11 -1.75 107.32 111.58 1h2x s GLY 472 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1h2x s GLY 472 CO 0.07 -0.04 0.00 0.33 0.00 0.00 0.00 173.10 173.47 1h2x n PHE 473 N -0.34 0.00 -1.62 1.90 7.35 -1.26 -4.46 117.46 119.03 1h2x n PHE 473 Ca -0.15 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.54 1h2x n PHE 473 Cb 0.64 0.04 0.00 0.00 0.35 0.00 0.00 39.48 40.51 1h2x n PHE 473 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1h2x n GLY 474 N 2.69 0.08 0.00 7.13 0.00 -1.26 -4.24 105.19 109.59 1h2x n GLY 474 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1h2x n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2x n GLY 475 N -1.22 1.54 2.40 -0.02 0.00 -1.09 -4.59 105.19 102.21 1h2x n GLY 475 Ca -0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 1h2x n GLY 475 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h2x n PHE 476 N -0.61 -0.99 -1.81 1.61 3.72 -1.07 -1.74 117.46 116.57 1h2x n PHE 476 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1h2x n PHE 476 Cb 0.00 -3.37 -0.07 0.00 -0.94 0.00 0.00 39.48 35.10 1h2x n PHE 476 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1h2x n ASN 477 N -1.74 -5.54 -4.69 4.37 5.15 -0.87 -4.92 115.26 107.02 1h2x n ASN 477 Ca -0.20 0.36 -0.39 0.00 -0.60 0.00 0.00 54.58 53.76 1h2x n ASN 477 Cb 0.64 -4.75 -0.06 0.00 -0.53 0.00 0.00 39.78 35.08 1h2x n ASN 477 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1h2x s ILE 478 N -2.82 5.14 -0.13 -1.44 1.01 -0.71 -3.35 121.20 118.90 1h2x s ILE 478 Ca 0.00 0.96 -0.17 0.00 0.00 0.00 0.00 60.65 61.44 1h2x s ILE 478 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1h2x s ILE 478 CO 0.00 0.25 0.43 -0.44 0.00 0.00 0.00 174.94 175.17 1h2x s SER 479 N 0.90 6.61 -0.73 3.58 0.01 -1.26 -2.36 113.70 120.45 1h2x s SER 479 Ca 0.25 0.72 -0.17 0.00 1.31 0.00 0.00 55.95 58.06 1h2x s SER 479 Cb -0.15 -2.26 0.14 0.00 0.21 0.00 0.00 66.02 63.96 1h2x s SER 479 CO 0.10 0.02 0.81 -0.63 0.41 0.00 0.00 173.24 173.95 1h2x s ILE 480 N 0.61 5.04 0.36 1.44 -1.09 -1.26 -4.98 121.20 121.33 1h2x s ILE 480 Ca 0.23 -1.56 0.07 0.00 -2.23 0.00 0.00 60.65 57.16 1h2x s ILE 480 Cb -0.14 -4.55 -0.00 0.00 -1.58 0.00 0.00 42.46 36.19 1h2x s ILE 480 CO 0.08 -1.18 0.49 0.42 -1.23 0.00 0.00 174.94 173.53 1h2x s THR 481 N 1.94 3.67 0.29 2.92 -4.23 -1.26 -4.92 115.64 114.05 1h2x s THR 481 Ca 0.18 -1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 59.37 1h2x s THR 481 Cb -0.16 -3.26 -0.13 0.00 1.34 0.00 0.00 72.50 70.29 1h2x s THR 481 CO -0.02 -0.10 1.35 -2.65 -0.54 0.00 0.00 174.62 172.66 1h2x n PRO 482 N -1.69 2.11 -3.77 3.99 -0.02 -1.26 -5.00 135.00 129.36 1h2x n PRO 482 Ca 0.02 0.75 -0.13 0.00 -2.02 0.00 0.00 63.50 62.12 1h2x n PRO 482 Cb 0.59 -2.37 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 1h2x n PRO 482 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1h2x s ASN 483 N -0.01 -0.15 -0.20 2.55 2.20 -1.26 -4.11 114.94 113.96 1h2x s ASN 483 Ca 0.61 0.01 -0.24 0.00 -0.94 0.00 0.00 52.86 52.30 1h2x s ASN 483 Cb -0.60 0.30 -0.01 0.00 -2.00 0.00 0.00 41.25 38.94 1h2x s ASN 483 CO 0.56 -0.46 0.80 -0.47 -2.94 0.00 0.00 177.10 174.59 1h2x s TYR 484 N -1.51 3.37 -0.22 1.54 5.04 -0.82 -3.89 117.35 120.86 1h2x s TYR 484 Ca -0.12 1.16 -0.01 0.00 -2.44 0.00 0.00 57.07 55.65 1h2x s TYR 484 Cb -0.05 -2.99 0.06 0.00 0.35 0.00 0.00 41.96 39.33 1h2x s TYR 484 CO 0.03 -0.29 0.01 0.45 -1.34 0.00 0.00 175.55 174.40 1h2x s SER 485 N 1.24 3.32 0.25 4.32 0.15 -1.26 -4.99 113.70 116.72 1h2x s SER 485 Ca 0.35 -1.01 -0.03 0.00 0.70 0.00 0.00 55.95 55.97 1h2x s SER 485 Cb -0.16 -0.82 0.29 0.00 -1.71 0.00 0.00 66.02 63.63 1h2x s SER 485 CO 0.10 -0.29 1.75 0.58 1.20 0.00 0.00 173.24 176.58 1h2x h VAL 486 N 6.57 1.24 -0.62 4.45 2.07 -1.95 -2.36 116.25 125.65 1h2x h VAL 486 Ca -0.16 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.38 1h2x h VAL 486 Cb 1.10 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1h2x h VAL 486 CO 0.37 0.36 0.41 0.77 0.02 0.00 0.00 177.57 179.49 1h2x h SER 487 N 0.82 0.69 0.10 0.57 4.64 -1.97 -0.88 113.55 117.52 1h2x h SER 487 Ca 0.16 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 1h2x h SER 487 Cb 0.43 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1h2x h SER 487 CO 0.01 0.50 -0.46 0.03 -0.87 0.00 0.00 176.83 176.04 1h2x h ARG 488 N 0.82 0.43 0.00 4.77 3.08 -1.95 -2.81 114.38 118.73 1h2x h ARG 488 Ca 0.23 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1h2x h ARG 488 Cb -0.07 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1h2x h ARG 488 CO -0.06 0.81 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.24 1h2x h LEU 489 N 0.35 0.00 -0.65 3.04 3.38 -0.87 -1.89 115.31 118.67 1h2x h LEU 489 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1h2x h LEU 489 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1h2x h LEU 489 CO 0.08 0.34 -0.47 0.40 0.09 0.00 0.00 178.44 178.88 1h2x h ILE 490 N 0.00 1.32 -0.63 1.22 2.04 -0.94 0.87 117.51 121.40 1h2x h ILE 490 Ca -0.00 -1.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 1h2x h ILE 490 Cb 0.72 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 1h2x h ILE 490 CO 0.04 0.52 0.28 0.15 0.00 0.00 0.00 178.15 179.14 1h2x h PHE 491 N 0.39 0.93 0.45 1.37 3.57 -1.16 0.38 116.94 122.87 1h2x h PHE 491 Ca 0.02 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1h2x h PHE 491 Cb 0.98 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1h2x h PHE 491 CO 0.04 0.72 -0.22 0.28 -2.23 0.00 0.00 178.31 176.89 1h2x h VAL 492 N 0.87 0.49 -0.05 1.41 2.07 -0.97 -1.37 116.25 118.70 1h2x h VAL 492 Ca 0.21 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1h2x h VAL 492 Cb 0.16 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1h2x h VAL 492 CO -0.02 0.06 -0.06 -0.09 0.02 0.00 0.00 177.57 177.48 1h2x h ARG 493 N -0.86 0.13 -0.01 1.57 9.65 -0.77 -1.94 114.38 122.14 1h2x h ARG 493 Ca -0.06 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1h2x h ARG 493 Cb 0.57 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1h2x h ARG 493 CO 0.10 0.60 -0.55 0.72 2.80 0.00 0.00 179.97 183.65 1h2x n HIS 494 N -4.74 0.00 -0.30 2.20 8.25 0.13 -4.16 115.22 116.61 1h2x n HIS 494 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1h2x n HIS 494 Cb 0.30 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1h2x n HIS 494 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1h2x n MET 495 N -0.89 0.80 -2.18 -0.41 2.81 -0.62 -0.10 117.12 116.52 1h2x n MET 495 Ca 0.08 -0.81 -0.18 0.00 -1.81 0.00 0.00 57.70 54.99 1h2x n MET 495 Cb 0.37 -0.85 -0.02 0.00 -0.71 0.00 0.00 33.22 32.01 1h2x n MET 495 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h2x n GLY 496 N -0.19 0.06 3.94 3.03 0.00 -0.75 -4.79 105.19 106.48 1h2x n GLY 496 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1h2x n GLY 496 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h2x s GLY 497 N -2.32 1.69 -0.10 -0.02 0.00 -0.61 -4.24 107.32 101.72 1h2x s GLY 497 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.79 1h2x s GLY 497 CO 0.00 -0.61 -0.19 0.14 0.00 0.00 0.00 173.10 172.44 1h2x s VAL 498 N -3.07 2.52 -0.07 1.40 1.01 -0.15 -4.34 120.40 117.69 1h2x s VAL 498 Ca 0.58 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1h2x s VAL 498 Cb -0.11 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1h2x s VAL 498 CO 0.43 0.55 0.12 -0.22 0.00 0.00 0.00 175.10 175.98 1h2x s LEU 499 N 0.18 4.18 -0.06 3.92 2.96 -0.23 -0.56 118.68 129.08 1h2x s LEU 499 Ca -0.11 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.08 1h2x s LEU 499 Cb -0.16 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.35 1h2x s LEU 499 CO 0.06 0.35 0.16 0.00 -1.32 0.00 0.00 176.35 175.60 1h2x s ALA 500 N -1.10 -0.39 -0.12 5.97 0.00 0.12 -0.57 121.76 125.67 1h2x s ALA 500 Ca 0.19 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1h2x s ALA 500 Cb -0.12 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.79 1h2x s ALA 500 CO 0.09 -0.08 -0.04 0.08 0.00 0.00 0.00 175.76 175.80 1h2x s VAL 501 N -0.01 0.85 -0.23 0.00 1.01 -0.34 -0.53 120.40 121.16 1h2x s VAL 501 Ca -0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 1h2x s VAL 501 Cb -0.02 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1h2x s VAL 501 CO 0.00 0.24 0.14 0.00 0.00 0.00 0.00 175.10 175.48 1h2x s ALA 502 N 1.76 3.54 -1.34 5.51 0.00 -0.72 -1.12 121.76 129.39 1h2x s ALA 502 Ca 0.03 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 1h2x s ALA 502 Cb -0.13 -2.25 0.11 0.00 0.00 0.00 0.00 23.12 20.84 1h2x s ALA 502 CO -0.07 -0.18 2.31 0.09 0.00 0.00 0.00 175.76 177.91 1h2x n ASN 503 N 4.27 7.34 -4.69 0.00 4.13 0.07 -4.61 115.26 121.77 1h2x n ASN 503 Ca -0.15 -3.08 -0.31 0.00 1.68 0.00 0.00 54.58 52.72 1h2x n ASN 503 Cb 0.52 -1.41 0.15 0.00 -1.54 0.00 0.00 39.78 37.50 1h2x n ASN 503 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1h2x s ILE 504 N -0.42 2.49 0.89 2.41 -4.36 -1.26 -4.43 121.20 116.51 1h2x s ILE 504 Ca 0.52 0.16 -0.10 0.00 -0.26 0.00 0.00 60.65 60.96 1h2x s ILE 504 Cb 0.16 -2.37 0.13 0.00 1.25 0.00 0.00 42.46 41.63 1h2x s ILE 504 CO -0.07 -0.21 1.14 -0.13 0.24 0.00 0.00 174.94 175.92 1h2x s ARG 505 N -4.74 1.18 0.00 0.37 0.52 -1.26 -3.23 118.95 111.80 1h2x s ARG 505 Ca 0.65 1.51 0.00 0.00 -0.52 0.00 0.00 55.73 57.37 1h2x s ARG 505 Cb -0.21 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.51 1h2x s ARG 505 CO 0.58 -2.50 0.00 0.41 0.02 0.00 0.00 175.30 173.81 1h2x n GLY 506 N 0.03 2.58 1.36 -3.53 0.00 -0.15 -4.23 105.19 101.26 1h2x n GLY 506 Ca 0.12 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1h2x n GLY 506 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2x n GLY 507 N 0.00 -1.56 0.83 -0.02 0.00 -1.20 -2.06 105.19 101.18 1h2x n GLY 507 Ca 0.00 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.46 1h2x n GLY 507 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2x n GLY 508 N 1.40 3.40 0.36 -0.02 0.00 -1.00 -1.98 105.19 107.36 1h2x n GLY 508 Ca 0.06 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.46 1h2x n GLY 508 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h2x h GLU 509 N 2.04 0.51 -0.79 1.61 3.07 -1.88 -2.10 114.58 117.05 1h2x h GLU 509 Ca 0.00 -0.03 -0.51 0.00 -0.50 0.00 0.00 59.36 58.31 1h2x h GLU 509 Cb 1.14 -0.12 -0.43 0.00 -0.84 0.00 0.00 28.75 28.51 1h2x h GLU 509 CO 0.13 0.34 -0.85 0.66 -1.40 0.00 0.00 179.01 177.89 1h2x n TYR 510 N -4.49 2.62 -4.18 4.33 4.01 -1.26 -4.73 117.16 113.46 1h2x n TYR 510 Ca 0.12 -2.30 0.00 0.00 -0.16 0.00 0.00 57.90 55.56 1h2x n TYR 510 Cb 0.40 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1h2x n TYR 510 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h2x n GLY 511 N -0.67 -1.69 0.26 2.72 0.00 -0.79 -3.44 105.19 101.58 1h2x n GLY 511 Ca 0.39 -1.32 0.10 0.00 0.00 0.00 0.00 46.02 45.19 1h2x n GLY 511 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h2x h GLU 512 N 0.00 0.00 -0.08 1.61 4.57 -1.47 -0.59 114.58 118.63 1h2x h GLU 512 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1h2x h GLU 512 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1h2x h GLU 512 CO 0.00 0.05 -0.42 1.79 -1.18 0.00 0.00 179.01 179.26 1h2x h THR 513 N 0.00 1.31 -0.33 0.32 1.35 -1.82 0.75 112.91 114.49 1h2x h THR 513 Ca -0.00 -1.51 -0.11 0.00 -0.55 0.00 0.00 66.41 64.24 1h2x h THR 513 Cb 0.10 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 1h2x h THR 513 CO 0.01 0.44 -0.24 -0.25 -0.25 0.00 0.00 175.52 175.23 1h2x h TRP 514 N 0.14 0.87 0.23 4.73 2.91 -1.15 -1.66 115.95 122.03 1h2x h TRP 514 Ca 0.01 -0.24 -0.01 0.00 1.13 0.00 0.00 58.89 59.78 1h2x h TRP 514 Cb 0.80 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.26 1h2x h TRP 514 CO 0.01 0.98 -0.11 1.25 -1.03 0.00 0.00 178.44 179.54 1h2x h HIS 515 N 0.51 -0.29 0.00 2.65 2.76 -0.85 -0.28 115.15 119.65 1h2x h HIS 515 Ca 0.06 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1h2x h HIS 515 Cb 0.80 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 1h2x h HIS 515 CO 0.07 -0.16 -0.04 0.87 -1.30 0.00 0.00 177.93 177.36 1h2x h LYS 516 N -0.34 0.00 0.00 5.26 1.57 -0.83 -1.34 116.57 120.89 1h2x h LYS 516 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1h2x h LYS 516 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1h2x h LYS 516 CO 0.05 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.39 1h2x n GLY 517 N -0.80 -0.87 2.04 3.86 0.00 -0.63 -3.43 105.19 105.37 1h2x n GLY 517 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1h2x n GLY 517 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2x n GLY 518 N 0.44 2.06 3.19 -0.02 0.00 -0.51 -4.63 105.19 105.73 1h2x n GLY 518 Ca 0.12 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1h2x n GLY 518 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h2x s ILE 519 N -2.23 0.21 0.00 -0.61 -4.36 -1.22 -4.43 121.20 108.56 1h2x s ILE 519 Ca 0.33 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 1h2x s ILE 519 Cb 0.36 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.83 1h2x s ILE 519 CO -0.09 -0.30 0.00 0.18 0.24 0.00 0.00 174.94 174.97 1h2x n LEU 520 N -0.20 0.00 0.31 0.37 4.77 0.90 -0.56 117.00 122.59 1h2x n LEU 520 Ca -0.03 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.15 1h2x n LEU 520 Cb 0.64 0.00 0.99 0.00 -2.33 0.00 0.00 43.42 42.73 1h2x n LEU 520 CO 0.32 0.00 1.10 0.00 -1.33 0.00 0.00 177.39 177.49 1h2x h ALA 521 N -0.62 1.06 -0.66 -1.18 0.00 -1.90 -2.49 119.26 113.47 1h2x h ALA 521 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h2x h ALA 521 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1h2x h ALA 521 CO 0.00 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.36 1h2x n ASN 522 N -3.20 3.73 -0.04 0.00 3.02 0.28 -4.49 115.26 114.56 1h2x n ASN 522 Ca -0.02 -2.07 0.13 0.00 -0.03 0.00 0.00 54.58 52.58 1h2x n ASN 522 Cb 0.16 -0.47 0.54 0.00 -0.61 0.00 0.00 39.78 39.40 1h2x n ASN 522 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1h2x h LYS 523 N 3.89 0.31 -0.05 3.52 1.63 -1.31 -0.02 116.57 124.54 1h2x h LYS 523 Ca 0.00 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1h2x h LYS 523 Cb 0.98 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.54 1h2x h LYS 523 CO 0.04 0.21 0.07 0.37 -3.45 0.00 0.00 179.45 176.69 1h2x h GLN 524 N 0.32 0.00 -0.65 1.90 5.75 -1.85 -0.49 115.11 120.10 1h2x h GLN 524 Ca 0.25 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.78 1h2x h GLN 524 Cb 0.55 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 1h2x h GLN 524 CO -0.06 0.00 0.43 -0.91 -2.65 0.00 0.00 178.83 175.64 1h2x h ASN 525 N 0.00 0.66 0.06 -0.69 2.35 -1.25 0.01 115.58 116.71 1h2x h ASN 525 Ca 0.03 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1h2x h ASN 525 Cb 0.16 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1h2x h ASN 525 CO -0.00 0.45 -0.03 0.00 -1.65 0.00 0.00 177.43 176.20 1h2x h PHE 527 N -0.08 1.11 -0.33 0.00 0.04 -1.49 -1.15 116.94 115.05 1h2x h PHE 527 Ca -0.01 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1h2x h PHE 527 Cb 0.07 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 1h2x h PHE 527 CO -0.08 0.91 0.12 -0.44 -0.60 0.00 0.00 178.31 178.22 1h2x h ASP 528 N 0.99 0.46 -0.47 2.17 3.32 -0.84 0.01 116.42 122.06 1h2x h ASP 528 Ca 0.21 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1h2x h ASP 528 Cb 0.35 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1h2x h ASP 528 CO 0.00 0.52 0.24 0.44 -1.72 0.00 0.00 179.24 178.72 1h2x h ASP 529 N 0.38 0.34 -0.37 6.45 3.32 -0.42 -0.26 116.42 125.85 1h2x h ASP 529 Ca 0.11 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1h2x h ASP 529 Cb 0.21 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1h2x h ASP 529 CO -0.01 0.24 -0.05 0.15 -1.72 0.00 0.00 179.24 177.85 1h2x h PHE 530 N 0.47 0.77 -0.88 4.55 3.57 -0.95 -1.08 116.94 123.38 1h2x h PHE 530 Ca 0.21 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1h2x h PHE 530 Cb 0.12 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1h2x h PHE 530 CO -0.10 0.82 0.55 1.96 -2.23 0.00 0.00 178.31 179.30 1h2x h GLN 531 N 0.50 1.19 0.00 1.11 4.20 -0.79 -1.37 115.11 119.95 1h2x h GLN 531 Ca 0.10 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1h2x h GLN 531 Cb 0.54 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1h2x h GLN 531 CO 0.03 0.82 -0.33 0.00 -0.67 0.00 0.00 178.83 178.68 1h2x h ALA 533 N 1.67 0.52 -0.39 0.00 0.00 -0.11 -0.57 119.26 120.39 1h2x h ALA 533 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1h2x h ALA 533 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1h2x h ALA 533 CO 0.04 0.26 0.22 0.00 0.00 0.00 0.00 179.25 179.78 1h2x h ALA 534 N 0.90 0.50 -0.45 0.00 0.00 -0.92 -1.66 119.26 117.63 1h2x h ALA 534 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1h2x h ALA 534 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1h2x h ALA 534 CO 0.01 0.01 0.27 0.93 0.00 0.00 0.00 179.25 180.47 1h2x h GLU 535 N 0.51 0.60 -0.24 0.00 5.08 -0.94 -1.69 114.58 117.88 1h2x h GLU 535 Ca 0.14 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1h2x h GLU 535 Cb 0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1h2x h GLU 535 CO -0.02 0.42 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.42 1h2x h TYR 536 N 0.61 0.53 -0.60 4.33 5.03 -0.48 0.86 116.97 127.25 1h2x h TYR 536 Ca 0.16 -0.11 -0.00 0.00 2.58 0.00 0.00 58.73 61.36 1h2x h TYR 536 Cb -0.03 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 1h2x h TYR 536 CO 0.00 0.69 0.35 -0.07 -1.32 0.00 0.00 178.16 177.81 1h2x h LEU 537 N 0.21 0.71 -0.01 2.82 3.38 -0.83 -0.10 115.31 121.49 1h2x h LEU 537 Ca 0.06 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1h2x h LEU 537 Cb 0.52 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1h2x h LEU 537 CO 0.02 0.55 -0.18 0.40 0.09 0.00 0.00 178.44 179.32 1h2x h ILE 538 N 0.82 1.53 -0.68 1.22 2.04 -1.15 0.67 117.51 121.97 1h2x h ILE 538 Ca 0.21 -1.82 -0.03 0.00 1.00 0.00 0.00 64.86 64.22 1h2x h ILE 538 Cb -0.02 2.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1h2x h ILE 538 CO -0.04 0.49 0.29 0.50 0.00 0.00 0.00 178.15 179.39 1h2x h LYS 539 N -0.51 0.99 -0.00 2.37 3.11 -0.62 -2.18 116.57 119.74 1h2x h LYS 539 Ca -0.02 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.67 1h2x h LYS 539 Cb 0.91 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1h2x h LYS 539 CO 0.04 0.79 -0.00 0.39 -2.81 0.00 0.00 179.45 177.86 1h2x n GLU 540 N -4.31 1.16 -0.78 1.90 -0.58 -0.07 -4.93 120.64 113.03 1h2x n GLU 540 Ca 0.06 -0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 1h2x n GLU 540 Cb 0.16 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1h2x n GLU 540 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h2x n GLY 541 N 1.07 0.58 0.11 0.62 0.00 -0.82 -4.85 105.19 101.90 1h2x n GLY 541 Ca 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 1h2x n GLY 541 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1h2x h TYR 542 N 0.00 0.00 -2.27 1.61 0.05 -1.10 0.28 116.97 115.54 1h2x h TYR 542 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1h2x h TYR 542 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1h2x h TYR 542 CO 0.00 0.75 0.10 -2.37 -1.05 0.00 0.00 178.16 175.59 1h2x n THR 543 N -3.56 0.00 -4.07 -2.88 5.66 -1.10 -3.74 114.28 104.59 1h2x n THR 543 Ca -0.00 -0.30 -0.08 0.00 -3.05 0.00 0.00 64.05 60.61 1h2x n THR 543 Cb 0.75 0.31 -0.10 0.00 -1.55 0.00 0.00 70.33 69.74 1h2x n THR 543 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1h2x s SER 544 N -1.68 0.51 0.21 1.09 0.01 -1.18 -4.28 113.70 108.37 1h2x s SER 544 Ca 0.05 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.32 1h2x s SER 544 Cb -0.02 0.16 0.28 0.00 0.21 0.00 0.00 66.02 66.66 1h2x s SER 544 CO 0.04 -0.51 1.64 -0.65 0.41 0.00 0.00 173.24 174.17 1h2x h PRO 545 N 3.51 0.05 0.00 12.44 0.11 -1.89 0.27 132.00 146.49 1h2x h PRO 545 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1h2x h PRO 545 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1h2x h PRO 545 CO 0.60 0.04 0.00 1.57 -0.21 0.00 0.00 178.00 179.99 1h2x h LYS 546 N 0.06 0.00 -0.15 1.05 2.10 -1.88 -0.90 116.57 116.85 1h2x h LYS 546 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1h2x h LYS 546 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1h2x h LYS 546 CO -0.60 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 177.39 1h2x n ARG 547 N -2.33 1.48 -3.50 0.07 1.74 0.03 -4.56 116.66 109.59 1h2x n ARG 547 Ca 0.00 -1.54 -0.37 0.00 -0.77 0.00 0.00 57.85 55.17 1h2x n ARG 547 Cb 0.13 -1.25 -0.07 0.00 -1.02 0.00 0.00 32.46 30.25 1h2x n ARG 547 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1h2x s LEU 548 N -1.00 4.23 -0.08 0.55 2.96 -0.82 -1.46 118.68 123.07 1h2x s LEU 548 Ca 0.18 0.52 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 1h2x s LEU 548 Cb 0.11 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1h2x s LEU 548 CO 0.16 0.06 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.17 1h2x s THR 549 N 0.64 2.62 0.08 3.68 2.01 -0.02 -0.43 115.64 124.21 1h2x s THR 549 Ca 0.17 -0.86 0.07 0.00 0.31 0.00 0.00 61.69 61.39 1h2x s THR 549 Cb -0.13 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1h2x s THR 549 CO 0.05 0.56 -0.14 0.27 -0.69 0.00 0.00 174.62 174.67 1h2x s ILE 550 N -0.18 3.07 -0.04 1.82 -4.36 -0.32 -0.76 121.20 120.44 1h2x s ILE 550 Ca -0.02 -1.25 -0.08 0.00 -0.26 0.00 0.00 60.65 59.05 1h2x s ILE 550 Cb -0.14 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.21 1h2x s ILE 550 CO 0.03 0.21 0.19 0.21 0.24 0.00 0.00 174.94 175.83 1h2x s ASN 551 N -1.85 -0.11 0.01 4.36 3.84 -0.41 -1.20 114.94 119.59 1h2x s ASN 551 Ca 0.18 0.11 -0.28 0.00 0.21 0.00 0.00 52.86 53.08 1h2x s ASN 551 Cb -0.11 0.32 0.09 0.00 -0.55 0.00 0.00 41.25 41.00 1h2x s ASN 551 CO 0.09 -0.24 0.80 -0.83 -2.79 0.00 0.00 177.10 174.13 1h2x s GLY 552 N -0.69 -0.49 0.02 1.21 0.00 -1.15 -2.74 107.32 103.48 1h2x s GLY 552 Ca -0.08 1.05 0.05 0.00 0.00 0.00 0.00 44.72 45.73 1h2x s GLY 552 CO 0.01 0.46 -0.14 -0.32 0.00 0.00 0.00 173.10 173.11 1h2x s GLY 553 N -2.21 0.75 0.00 0.20 0.00 -1.25 -1.17 107.32 103.64 1h2x s GLY 553 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1h2x s GLY 553 CO -0.06 -0.68 0.00 -1.26 0.00 0.00 0.00 173.10 171.09 1h2x n SER 554 N 2.23 0.00 0.29 1.64 2.88 0.35 0.07 113.62 121.08 1h2x n SER 554 Ca -0.16 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.53 1h2x n SER 554 Cb 0.55 0.00 0.88 0.00 -0.75 0.00 0.00 64.21 64.89 1h2x n SER 554 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1h2x h ASN 555 N 0.00 0.00 1.06 -3.46 -1.24 -1.90 0.16 115.58 110.20 1h2x h ASN 555 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 1h2x h ASN 555 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1h2x h ASN 555 CO 0.00 0.04 -0.39 1.23 -1.29 0.00 0.00 177.43 177.02 1h2x h GLY 556 N 0.30 0.00 1.08 1.57 0.00 -0.54 -1.61 103.07 103.87 1h2x h GLY 556 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1h2x h GLY 556 CO 0.01 0.00 -0.40 -1.33 0.00 0.00 0.00 176.54 174.82 1h2x h GLY 557 N 2.51 0.93 0.99 4.60 0.00 -0.68 -2.28 103.07 109.14 1h2x h GLY 557 Ca -0.00 -0.99 0.01 0.00 0.00 0.00 0.00 47.33 46.34 1h2x h GLY 557 CO 0.05 0.89 0.32 -2.00 0.00 0.00 0.00 176.54 175.80 1h2x h LEU 558 N 0.64 0.55 0.08 3.11 5.85 -1.20 -1.53 115.31 122.80 1h2x h LEU 558 Ca 0.04 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1h2x h LEU 558 Cb 0.99 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 1h2x h LEU 558 CO 0.10 0.40 -0.41 0.25 -0.34 0.00 0.00 178.44 178.43 1h2x h LEU 559 N 0.65 -1.22 -0.84 2.25 5.85 -1.14 -0.83 115.31 120.04 1h2x h LEU 559 Ca 0.18 0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.92 1h2x h LEU 559 Cb -0.07 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1h2x h LEU 559 CO -0.04 -0.47 -0.53 -0.37 -0.34 0.00 0.00 178.44 176.68 1h2x h VAL 560 N -0.62 1.37 -0.50 1.05 -1.51 -1.34 -1.37 116.25 113.34 1h2x h VAL 560 Ca 0.03 -1.83 -0.11 0.00 -1.23 0.00 0.00 66.70 63.56 1h2x h VAL 560 Cb 0.66 1.94 -0.02 0.00 -2.13 0.00 0.00 31.29 31.75 1h2x h VAL 560 CO -0.26 0.53 -0.13 0.00 -1.23 0.00 0.00 177.57 176.48 1h2x h ALA 561 N 1.36 0.68 -0.54 5.19 0.00 -1.13 -1.20 119.26 123.63 1h2x h ALA 561 Ca -0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1h2x h ALA 561 Cb 0.98 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1h2x h ALA 561 CO 0.08 0.61 -0.01 1.15 0.00 0.00 0.00 179.25 181.07 1h2x h THR 562 N 0.82 1.27 -0.19 0.00 2.02 -0.97 -2.49 112.91 113.38 1h2x h THR 562 Ca 0.12 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 1h2x h THR 562 Cb 0.70 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1h2x h THR 562 CO 0.05 0.40 -0.09 0.00 0.37 0.00 0.00 175.52 176.26 1h2x h ALA 564 N 1.64 0.72 -0.29 0.00 0.00 -0.80 0.13 119.26 120.66 1h2x h ALA 564 Ca 0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1h2x h ALA 564 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h2x h ALA 564 CO 0.02 0.45 -0.17 -0.91 0.00 0.00 0.00 179.25 178.63 1h2x h ASN 565 N 0.78 0.65 0.16 0.00 2.35 -0.99 -2.74 115.58 115.79 1h2x h ASN 565 Ca 0.17 -0.43 -0.25 0.00 -0.55 0.00 0.00 56.30 55.24 1h2x h ASN 565 Cb 0.39 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.59 1h2x h ASN 565 CO 0.01 0.94 -1.00 1.56 -1.65 0.00 0.00 177.43 177.29 1h2x h GLN 566 N 0.37 0.56 -2.05 0.81 4.20 -0.93 -3.40 115.11 114.67 1h2x h GLN 566 Ca 0.06 -0.61 -0.53 0.00 0.06 0.00 0.00 58.65 57.63 1h2x h GLN 566 Cb 0.71 0.17 -0.40 0.00 0.30 0.00 0.00 27.48 28.26 1h2x h GLN 566 CO 0.05 1.22 -1.06 0.54 -0.67 0.00 0.00 178.83 178.92 1h2x n ARG 567 N -3.80 1.25 0.30 1.46 5.12 0.44 -4.94 116.66 116.49 1h2x n ARG 567 Ca -0.09 -3.59 0.16 0.00 -1.93 0.00 0.00 57.85 52.40 1h2x n ARG 567 Cb 0.86 -1.63 0.97 0.00 -1.16 0.00 0.00 32.46 31.49 1h2x n ARG 567 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1h2x h PRO 568 N 3.46 0.00 0.00 5.56 0.13 -1.62 -1.09 132.00 138.44 1h2x h PRO 568 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1h2x h PRO 568 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1h2x h PRO 568 CO 0.55 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 1h2x n ASP 569 N -3.72 0.51 0.04 1.44 5.75 -1.26 -3.39 116.55 115.92 1h2x n ASP 569 Ca -0.03 0.60 0.11 0.00 -0.01 0.00 0.00 54.79 55.46 1h2x n ASP 569 Cb 0.08 -0.71 0.07 0.00 -1.03 0.00 0.00 41.12 39.53 1h2x n ASP 569 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1h2x n LEU 570 N -2.03 0.64 -4.21 -2.12 7.94 -0.41 -4.86 117.00 111.95 1h2x n LEU 570 Ca 0.04 0.08 -0.22 0.00 -1.11 0.00 0.00 56.01 54.79 1h2x n LEU 570 Cb 0.27 -0.12 -0.13 0.00 0.53 0.00 0.00 43.42 43.97 1h2x n LEU 570 CO 0.22 -0.00 -0.49 -0.36 -1.11 0.00 0.00 177.39 175.64 1h2x s PHE 571 N -3.20 1.51 -0.14 1.96 0.08 -1.22 -4.46 117.98 112.52 1h2x s PHE 571 Ca 0.04 -0.38 0.13 0.00 0.12 0.00 0.00 56.93 56.84 1h2x s PHE 571 Cb 0.14 -0.88 -0.24 0.00 -0.57 0.00 0.00 43.02 41.47 1h2x s PHE 571 CO 0.78 0.09 0.29 0.41 -0.10 0.00 0.00 175.22 176.68 1h2x n GLY 572 N 1.68 -0.92 3.13 4.36 0.00 0.43 -4.42 105.19 109.45 1h2x n GLY 572 Ca -0.18 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 1h2x n GLY 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h2x s VAL 574 N -0.37 0.58 -0.27 0.00 1.01 0.69 -1.18 120.40 120.85 1h2x s VAL 574 Ca -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1h2x s VAL 574 Cb -0.03 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.76 1h2x s VAL 574 CO 0.01 0.26 -0.08 -0.63 0.00 0.00 0.00 175.10 174.67 1h2x s ILE 575 N 1.41 2.36 -0.31 2.22 1.01 -0.34 -0.96 121.20 126.58 1h2x s ILE 575 Ca -0.03 -1.62 -0.08 0.00 0.00 0.00 0.00 60.65 58.92 1h2x s ILE 575 Cb -0.13 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 39.95 1h2x s ILE 575 CO -0.03 -0.08 0.11 0.00 0.00 0.00 0.00 174.94 174.95 1h2x s ALA 576 N 1.12 3.13 -0.15 9.38 0.00 -0.36 -2.91 121.76 131.98 1h2x s ALA 576 Ca -0.07 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.28 1h2x s ALA 576 Cb -0.20 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 1h2x s ALA 576 CO -0.04 -1.02 0.21 -0.65 0.00 0.00 0.00 175.76 174.26 1h2x s GLN 577 N 1.52 3.96 -0.95 0.00 -0.21 -0.32 -1.42 119.66 122.24 1h2x s GLN 577 Ca 0.02 -0.04 -0.04 0.00 0.02 0.00 0.00 55.36 55.32 1h2x s GLN 577 Cb -0.18 -3.33 0.01 0.00 1.00 0.00 0.00 33.01 30.51 1h2x s GLN 577 CO 0.04 0.46 0.08 1.33 -2.12 0.00 0.00 175.29 175.08 1h2x n VAL 578 N 2.91 -0.83 -3.13 1.09 0.24 0.13 -0.50 118.33 118.24 1h2x n VAL 578 Ca -0.16 -0.33 -0.32 0.00 -2.04 0.00 0.00 64.34 61.49 1h2x n VAL 578 Cb 0.53 -0.79 -0.05 0.00 -1.47 0.00 0.00 33.84 32.06 1h2x n VAL 578 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1h2x s GLY 579 N -3.92 2.26 -0.39 7.63 0.00 -1.26 -2.80 107.32 108.83 1h2x s GLY 579 Ca 0.06 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.48 1h2x s GLY 579 CO 0.64 0.14 0.88 0.14 0.00 0.00 0.00 173.10 174.91 1h2x s VAL 580 N -2.03 4.60 -0.10 1.40 1.01 -1.19 -4.43 120.40 119.66 1h2x s VAL 580 Ca 0.53 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.58 1h2x s VAL 580 Cb -0.10 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 31.84 1h2x s VAL 580 CO 0.20 -0.58 0.01 0.23 0.00 0.00 0.00 175.10 174.97 1h2x n MET 581 N 6.76 2.08 -3.25 2.72 2.81 -1.26 -4.15 117.12 122.83 1h2x n MET 581 Ca 0.06 0.01 -0.46 0.00 -1.81 0.00 0.00 57.70 55.49 1h2x n MET 581 Cb 0.48 -1.25 -0.04 0.00 -0.71 0.00 0.00 33.22 31.70 1h2x n MET 581 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1h2x s ASP 582 N -4.36 6.41 0.00 7.83 -1.08 -1.26 -1.59 116.67 122.62 1h2x s ASP 582 Ca -0.07 -2.03 0.25 0.00 -0.52 0.00 0.00 52.55 50.19 1h2x s ASP 582 Cb 0.03 -2.24 1.13 0.00 -1.46 0.00 0.00 42.92 40.37 1h2x s ASP 582 CO 0.38 -0.84 1.82 0.23 0.52 0.00 0.00 175.17 177.28 1h2x n MET 583 N 5.16 0.10 0.09 4.34 2.81 -1.26 -1.75 117.12 126.60 1h2x n MET 583 Ca -0.01 0.06 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 1h2x n MET 583 Cb 0.43 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.42 1h2x n MET 583 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1h2x h LEU 584 N 0.00 0.00 -1.10 4.03 3.38 -1.93 -3.40 115.31 116.29 1h2x h LEU 584 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h2x h LEU 584 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1h2x h LEU 584 CO 0.00 0.26 0.00 0.29 0.09 0.00 0.00 178.44 179.08 1h2x n LYS 585 N -2.82 -0.46 -0.17 1.13 5.02 -1.14 -4.62 118.16 115.10 1h2x n LYS 585 Ca -0.03 -0.55 0.18 0.00 -2.02 0.00 0.00 58.31 55.89 1h2x n LYS 585 Cb 0.67 -0.94 0.54 0.00 -0.02 0.00 0.00 35.03 35.29 1h2x n LYS 585 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1h2x h PHE 586 N 0.00 0.42 0.00 2.13 -5.15 -1.55 -0.93 116.94 111.86 1h2x h PHE 586 Ca 0.00 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 1h2x h PHE 586 Cb 0.12 -0.13 0.00 0.00 0.22 0.00 0.00 35.95 36.16 1h2x h PHE 586 CO 0.00 0.14 0.00 -2.39 -2.00 0.00 0.00 178.31 174.06 1h2x n HIS 587 N -4.46 0.44 0.44 6.09 1.44 -1.26 -3.29 115.22 114.62 1h2x n HIS 587 Ca 0.16 0.17 0.13 0.00 -2.01 0.00 0.00 57.72 56.16 1h2x n HIS 587 Cb 0.62 -0.78 0.29 0.00 0.12 0.00 0.00 29.99 30.25 1h2x n HIS 587 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1h2x h LYS 588 N 0.00 0.00 -6.52 -1.40 1.57 -1.50 -3.20 116.57 105.53 1h2x h LYS 588 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 1h2x h LYS 588 Cb 0.33 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.47 1h2x h LYS 588 CO 0.00 0.00 -0.74 0.71 -0.57 0.00 0.00 179.45 178.85 1h2x s TYR 589 N -3.15 2.74 0.00 -1.35 2.02 -1.21 -4.16 117.35 112.24 1h2x s TYR 589 Ca 0.09 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 1h2x s TYR 589 Cb 0.09 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 40.19 1h2x s TYR 589 CO 0.63 0.40 0.00 0.25 -1.57 0.00 0.00 175.55 175.27 1h2x n THR 590 N 0.90 0.00 -0.43 -0.71 -2.24 -0.13 -0.10 114.28 111.57 1h2x n THR 590 Ca -0.14 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1h2x n THR 590 Cb 0.52 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.06 1h2x n THR 590 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h2x n ILE 591 N 0.00 1.25 0.21 2.28 0.13 -1.26 -1.05 119.36 120.91 1h2x n ILE 591 Ca 0.00 -1.07 0.17 0.00 -1.10 0.00 0.00 62.75 60.75 1h2x n ILE 591 Cb 0.00 0.39 0.83 0.00 -0.84 0.00 0.00 39.64 40.02 1h2x n ILE 591 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1h2x h GLY 592 N 3.90 0.00 1.94 4.50 0.00 -0.70 -0.93 103.07 111.78 1h2x h GLY 592 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h2x h GLY 592 CO 0.07 0.00 0.02 1.12 0.00 0.00 0.00 176.54 177.75 1h2x h HIS 593 N 0.00 0.00 0.00 5.60 2.07 -1.73 -1.66 115.15 119.43 1h2x h HIS 593 Ca 0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.60 1h2x h HIS 593 Cb 0.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.44 1h2x h HIS 593 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1h2x h ALA 594 N 1.97 1.00 -0.00 6.11 0.00 -1.52 -3.16 119.26 123.66 1h2x h ALA 594 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1h2x h ALA 594 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1h2x h ALA 594 CO -0.00 0.00 -0.06 0.91 0.00 0.00 0.00 179.25 180.10 1h2x n TRP 595 N -2.97 0.00 0.31 0.00 8.01 -0.62 -2.07 117.44 120.10 1h2x n TRP 595 Ca 0.02 0.00 0.20 0.00 -1.31 0.00 0.00 57.50 56.40 1h2x n TRP 595 Cb 0.36 -0.16 0.98 0.00 -2.01 0.00 0.00 31.31 30.47 1h2x n TRP 595 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 1h2x h THR 596 N 0.44 0.00 0.00 -0.99 1.35 -1.71 -0.84 112.91 111.16 1h2x h THR 596 Ca 0.00 -0.14 -0.05 0.00 -0.55 0.00 0.00 66.41 65.67 1h2x h THR 596 Cb 0.28 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1h2x h THR 596 CO 0.00 0.00 -0.21 0.71 -0.25 0.00 0.00 175.52 175.77 1h2x h THR 597 N 0.00 0.58 0.02 6.82 1.35 -1.85 0.19 112.91 120.01 1h2x h THR 597 Ca 0.00 -1.03 -0.37 0.00 -0.55 0.00 0.00 66.41 64.45 1h2x h THR 597 Cb 0.15 1.69 -0.06 0.00 -1.73 0.00 0.00 68.15 68.20 1h2x h THR 597 CO 0.00 0.21 -2.31 0.47 -0.25 0.00 0.00 175.52 173.64 1h2x n ASP 598 N -3.45 1.53 -0.08 5.36 9.92 -0.40 -4.73 116.55 124.70 1h2x n ASP 598 Ca -0.00 -0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.18 1h2x n ASP 598 Cb 0.40 -0.19 -0.15 0.00 -0.64 0.00 0.00 41.12 40.54 1h2x n ASP 598 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1h2x n TYR 599 N -3.18 0.00 -0.13 1.24 4.01 -0.70 -0.07 117.16 118.32 1h2x n TYR 599 Ca -0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 1h2x n TYR 599 Cb 1.04 -0.88 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1h2x n TYR 599 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h2x n GLY 600 N 1.80 -3.63 2.94 2.72 0.00 0.65 -4.55 105.19 105.12 1h2x n GLY 600 Ca -0.28 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 43.59 1h2x n GLY 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h2x n SER 602 N 3.22 0.36 0.26 0.00 3.41 -1.26 -1.78 113.62 117.83 1h2x n SER 602 Ca -0.16 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.23 1h2x n SER 602 Cb 0.56 -0.70 0.72 0.00 -0.26 0.00 0.00 64.21 64.52 1h2x n SER 602 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1h2x h ASP 603 N 0.00 0.00 -3.30 4.04 3.32 -1.96 -3.41 116.42 115.11 1h2x h ASP 603 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1h2x h ASP 603 Cb 0.06 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 1h2x h ASP 603 CO 0.00 0.12 -0.12 -0.55 -1.72 0.00 0.00 179.24 176.97 1h2x s SER 604 N -6.04 6.75 0.18 6.45 0.15 -0.73 -4.98 113.70 115.47 1h2x s SER 604 Ca -0.02 0.89 -0.13 0.00 0.70 0.00 0.00 55.95 57.39 1h2x s SER 604 Cb 0.12 -2.30 0.08 0.00 -1.71 0.00 0.00 66.02 62.21 1h2x s SER 604 CO 0.58 0.04 1.81 0.50 1.20 0.00 0.00 173.24 177.36 1h2x h LYS 605 N 6.40 0.79 -0.37 5.44 3.64 -1.87 0.12 116.57 130.72 1h2x h LYS 605 Ca -0.42 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1h2x h LYS 605 Cb 1.19 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1h2x h LYS 605 CO 0.74 0.57 0.21 0.37 -2.27 0.00 0.00 179.45 179.07 1h2x h GLN 606 N 0.78 0.42 -0.42 1.90 4.15 -1.93 -1.93 115.11 118.08 1h2x h GLN 606 Ca 0.21 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.52 1h2x h GLN 606 Cb -0.01 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1h2x h GLN 606 CO -0.04 0.28 -0.07 0.45 -1.93 0.00 0.00 178.83 177.52 1h2x h HIS 607 N 0.43 0.88 -0.85 3.99 3.86 -1.73 -2.87 115.15 118.86 1h2x h HIS 607 Ca 0.15 -0.18 0.11 0.00 -1.16 0.00 0.00 60.37 59.29 1h2x h HIS 607 Cb 0.02 -0.22 -0.08 0.00 1.06 0.00 0.00 27.41 28.19 1h2x h HIS 607 CO -0.08 0.89 0.49 0.35 0.86 0.00 0.00 177.93 180.44 1h2x h PHE 608 N 0.61 0.88 0.00 2.45 3.57 -0.50 -0.26 116.94 123.69 1h2x h PHE 608 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1h2x h PHE 608 Cb 0.59 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1h2x h PHE 608 CO 0.05 0.34 -0.12 0.93 -2.23 0.00 0.00 178.31 177.27 1h2x h GLU 609 N 0.79 0.00 0.02 1.11 4.39 -1.13 0.20 114.58 119.96 1h2x h GLU 609 Ca 0.42 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.12 1h2x h GLU 609 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1h2x h GLU 609 CO -0.27 0.12 -0.01 -1.49 -1.16 0.00 0.00 179.01 176.20 1h2x h TRP 610 N 0.00 -0.02 -0.42 4.33 6.55 -1.04 -3.36 115.95 121.99 1h2x h TRP 610 Ca -0.00 -0.00 0.03 0.00 0.95 0.00 0.00 58.89 59.86 1h2x h TRP 610 Cb 0.21 0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 28.48 1h2x h TRP 610 CO 0.00 0.73 0.23 -0.07 -1.05 0.00 0.00 178.44 178.28 1h2x h LEU 611 N -0.83 0.36 -2.32 -4.49 3.38 -0.83 -2.82 115.31 107.77 1h2x h LEU 611 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1h2x h LEU 611 Cb 0.76 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1h2x h LEU 611 CO 0.00 0.26 -0.03 -0.29 0.09 0.00 0.00 178.44 178.47 1h2x h ILE 612 N 0.47 0.54 0.00 1.22 6.09 -1.13 0.32 117.51 125.02 1h2x h ILE 612 Ca 0.18 -0.15 -0.08 0.00 -1.37 0.00 0.00 64.86 63.44 1h2x h ILE 612 Cb 0.05 1.10 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 1h2x h ILE 612 CO -0.10 0.03 -0.36 0.11 -3.07 0.00 0.00 178.15 174.76 1h2x h LYS 613 N 0.00 0.00 0.00 2.19 1.57 -1.64 -3.36 116.57 115.33 1h2x h LYS 613 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h2x h LYS 613 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1h2x h LYS 613 CO 0.00 0.36 -0.19 2.48 -0.57 0.00 0.00 179.45 181.54 1h2x n TYR 614 N -3.43 0.00 -1.60 -1.35 0.18 -0.89 -4.98 117.16 105.09 1h2x n TYR 614 Ca 0.00 0.00 -0.58 0.00 1.88 0.00 0.00 57.90 59.20 1h2x n TYR 614 Cb 0.53 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.41 1h2x n TYR 614 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1h2x n SER 615 N -0.82 1.94 -0.25 9.48 2.88 0.05 -4.78 113.62 122.13 1h2x n SER 615 Ca 0.00 0.90 0.04 0.00 -1.33 0.00 0.00 58.87 58.48 1h2x n SER 615 Cb 0.00 -1.09 0.16 0.00 -0.75 0.00 0.00 64.21 62.53 1h2x n SER 615 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1h2x h PRO 616 N 8.20 0.46 0.00 -1.46 0.11 -1.87 -0.89 132.00 136.54 1h2x h PRO 616 Ca -0.37 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1h2x h PRO 616 Cb 1.34 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1h2x h PRO 616 CO 1.00 0.31 -0.04 1.25 -0.21 0.00 0.00 178.00 180.30 1h2x h LEU 617 N 0.48 0.00 -2.82 2.35 5.85 -1.61 -2.69 115.31 116.87 1h2x h LEU 617 Ca 0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1h2x h LEU 617 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1h2x h LEU 617 CO -0.36 0.04 0.00 1.41 -0.34 0.00 0.00 178.44 179.19 1h2x n HIS 618 N -3.59 0.67 -1.82 1.25 8.25 -0.37 -4.47 115.22 115.14 1h2x n HIS 618 Ca -0.02 -0.49 0.05 0.00 -0.26 0.00 0.00 57.72 56.99 1h2x n HIS 618 Cb 0.14 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.32 1h2x n HIS 618 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1h2x n ASN 619 N 0.98 1.17 -4.66 0.41 3.02 -1.00 -4.96 115.26 110.21 1h2x n ASN 619 Ca 0.17 -2.65 -0.43 0.00 -0.03 0.00 0.00 54.58 51.63 1h2x n ASN 619 Cb 0.50 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 1h2x n ASN 619 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h2x s VAL 620 N -1.36 4.59 -0.15 2.41 1.01 -1.24 -4.83 120.40 120.82 1h2x s VAL 620 Ca 0.24 1.91 -0.11 0.00 0.00 0.00 0.00 61.98 64.02 1h2x s VAL 620 Cb 0.24 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.44 1h2x s VAL 620 CO -0.05 -0.15 0.37 -0.75 0.00 0.00 0.00 175.10 174.52 1h2x s LYS 621 N 3.15 0.39 0.22 2.72 2.20 -1.26 -5.03 119.74 122.14 1h2x s LYS 621 Ca 0.47 0.61 -0.32 0.00 -0.36 0.00 0.00 55.97 56.38 1h2x s LYS 621 Cb -0.17 0.09 -0.12 0.00 -1.51 0.00 0.00 37.83 36.12 1h2x s LYS 621 CO 0.09 -0.10 1.62 1.28 -0.36 0.00 0.00 175.35 177.88 1h2x n LEU 622 N 3.50 3.79 -4.77 5.43 4.77 -1.26 -4.91 117.00 123.55 1h2x n LEU 622 Ca -0.18 1.10 -0.40 0.00 -0.03 0.00 0.00 56.01 56.50 1h2x n LEU 622 Cb 0.56 -1.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.14 1h2x n LEU 622 CO 0.12 -0.01 1.04 -2.84 -1.33 0.00 0.00 177.39 174.37 1h2x s PRO 623 N 0.46 3.69 0.13 3.23 0.02 -1.26 -4.91 135.00 136.36 1h2x s PRO 623 Ca 0.72 2.35 -0.14 0.00 0.02 0.00 0.00 61.00 63.95 1h2x s PRO 623 Cb -0.56 -2.64 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 1h2x s PRO 623 CO 0.40 -0.79 1.54 0.93 -0.33 0.00 0.00 177.00 178.76 1h2x h GLU 624 N 2.31 0.75 -6.77 5.54 5.08 -1.91 -3.44 114.58 116.14 1h2x h GLU 624 Ca -0.51 -0.27 -0.52 0.00 -1.00 0.00 0.00 59.36 57.06 1h2x h GLU 624 Cb 1.26 -0.05 0.05 0.00 0.50 0.00 0.00 28.75 30.51 1h2x h GLU 624 CO 0.61 0.87 0.67 0.00 -1.00 0.00 0.00 179.01 180.16 1h2x s ALA 625 N -4.86 3.54 0.43 3.43 0.00 -1.26 -4.92 121.76 118.13 1h2x s ALA 625 Ca -0.13 1.22 0.15 0.00 0.00 0.00 0.00 51.96 53.20 1h2x s ALA 625 Cb 0.10 -3.50 0.98 0.00 0.00 0.00 0.00 23.12 20.70 1h2x s ALA 625 CO 0.81 -0.62 1.97 -0.44 0.00 0.00 0.00 175.76 177.48 1h2x h ASP 626 N 4.51 0.00 -0.03 0.00 5.19 -2.03 -2.20 116.42 121.86 1h2x h ASP 626 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1h2x h ASP 626 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1h2x h ASP 626 CO 0.73 0.21 0.00 -0.90 -3.12 0.00 0.00 179.24 176.16 1h2x n ASP 627 N -4.26 0.86 -4.34 6.45 5.75 -1.26 -4.81 116.55 114.93 1h2x n ASP 627 Ca -0.02 -1.37 -0.33 0.00 -0.01 0.00 0.00 54.79 53.06 1h2x n ASP 627 Cb 0.27 -0.02 -0.15 0.00 -1.03 0.00 0.00 41.12 40.20 1h2x n ASP 627 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1h2x s ILE 628 N -1.96 2.96 0.41 2.12 1.01 -0.83 -5.11 121.20 119.80 1h2x s ILE 628 Ca 0.39 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1h2x s ILE 628 Cb 0.20 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1h2x s ILE 628 CO 0.32 0.52 0.07 0.00 0.00 0.00 0.00 174.94 175.85 1h2x s GLN 629 N 0.50 1.93 0.49 2.79 -2.07 -1.26 -4.55 119.66 117.48 1h2x s GLN 629 Ca -0.09 -2.16 -0.19 0.00 -1.82 0.00 0.00 55.36 51.10 1h2x s GLN 629 Cb -0.16 -0.98 -0.08 0.00 -1.09 0.00 0.00 33.01 30.70 1h2x s GLN 629 CO 0.04 -0.34 1.01 0.71 -1.32 0.00 0.00 175.29 175.39 1h2x s TYR 630 N -3.11 3.13 0.93 9.60 1.51 -1.26 -4.61 117.35 123.54 1h2x s TYR 630 Ca 0.24 1.56 -0.12 0.00 -1.01 0.00 0.00 57.07 57.74 1h2x s TYR 630 Cb 0.05 -2.97 0.15 0.00 -0.11 0.00 0.00 41.96 39.08 1h2x s TYR 630 CO 0.12 -0.63 1.09 -1.25 -1.11 0.00 0.00 175.55 173.78 1h2x s PRO 631 N -3.45 0.99 0.28 -1.71 0.04 -1.26 -4.67 135.00 125.23 1h2x s PRO 631 Ca 0.64 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 1h2x s PRO 631 Cb -0.14 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 1h2x s PRO 631 CO 0.22 -2.42 1.37 -1.12 0.04 0.00 0.00 177.00 175.09 1h2x s SER 632 N -3.35 6.72 -0.02 6.66 0.01 -0.63 -4.82 113.70 118.27 1h2x s SER 632 Ca 0.64 2.66 0.03 0.00 1.31 0.00 0.00 55.95 60.59 1h2x s SER 632 Cb -0.19 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.41 1h2x s SER 632 CO 0.57 -0.61 -0.10 -0.04 0.41 0.00 0.00 173.24 173.47 1h2x s MET 633 N -1.01 0.96 -0.10 12.44 -1.94 -0.03 -0.22 119.30 129.39 1h2x s MET 633 Ca 0.54 -0.36 -0.01 0.00 -1.71 0.00 0.00 55.69 54.15 1h2x s MET 633 Cb -0.40 -0.90 0.03 0.00 2.01 0.00 0.00 34.83 35.56 1h2x s MET 633 CO 0.47 0.18 -0.05 -1.17 -0.01 0.00 0.00 175.02 174.44 1h2x s LEU 634 N -0.04 1.02 -0.15 -0.03 2.96 -0.14 -0.66 118.68 121.64 1h2x s LEU 634 Ca 0.01 -0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 1h2x s LEU 634 Cb -0.06 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 1h2x s LEU 634 CO 0.00 -0.14 0.08 -0.76 -1.32 0.00 0.00 176.35 174.20 1h2x s LEU 635 N 1.78 3.95 -0.14 -0.68 1.43 0.13 -1.22 118.68 123.94 1h2x s LEU 635 Ca 0.05 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1h2x s LEU 635 Cb -0.12 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.13 1h2x s LEU 635 CO -0.07 0.28 -0.21 -0.76 0.23 0.00 0.00 176.35 175.82 1h2x s LEU 636 N -0.27 2.05 0.00 1.79 1.43 -0.51 -0.97 118.68 122.21 1h2x s LEU 636 Ca 0.09 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1h2x s LEU 636 Cb -0.12 -1.39 -0.00 0.00 0.03 0.00 0.00 46.19 44.70 1h2x s LEU 636 CO 0.01 0.07 0.39 1.07 0.23 0.00 0.00 176.35 178.13 1h2x n THR 637 N 4.10 0.00 -3.83 5.49 5.66 -0.64 0.18 114.28 125.24 1h2x n THR 637 Ca -0.20 -1.84 -0.11 0.00 -3.05 0.00 0.00 64.05 58.85 1h2x n THR 637 Cb 0.51 1.05 -0.09 0.00 -1.55 0.00 0.00 70.33 70.26 1h2x n THR 637 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1h2x s ALA 638 N -2.87 -0.46 -0.79 1.79 0.00 -1.26 -1.12 121.76 117.05 1h2x s ALA 638 Ca 0.30 -0.11 0.18 0.00 0.00 0.00 0.00 51.96 52.33 1h2x s ALA 638 Cb -0.00 0.21 0.77 0.00 0.00 0.00 0.00 23.12 24.10 1h2x s ALA 638 CO 0.21 -0.32 1.56 -0.40 0.00 0.00 0.00 175.76 176.82 1h2x n ASP 639 N 0.94 0.27 -0.81 0.00 5.68 -0.32 -2.05 116.55 120.26 1h2x n ASP 639 Ca -0.20 0.57 0.08 0.00 -0.50 0.00 0.00 54.79 54.74 1h2x n ASP 639 Cb 0.58 -0.62 0.24 0.00 -1.14 0.00 0.00 41.12 40.17 1h2x n ASP 639 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1h2x n HIS 640 N -1.80 0.83 -2.45 2.11 8.25 -0.11 -4.30 115.22 117.75 1h2x n HIS 640 Ca 0.03 -0.86 -0.38 0.00 -0.26 0.00 0.00 57.72 56.25 1h2x n HIS 640 Cb 0.19 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 1h2x n HIS 640 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1h2x s ASP 641 N -1.93 6.21 0.00 0.41 -1.08 -0.87 -4.05 116.67 115.37 1h2x s ASP 641 Ca 0.40 -1.32 0.23 0.00 -0.52 0.00 0.00 52.55 51.34 1h2x s ASP 641 Cb 0.32 -2.57 0.92 0.00 -1.46 0.00 0.00 42.92 40.14 1h2x s ASP 641 CO 0.09 -1.77 1.65 -0.90 0.52 0.00 0.00 175.17 174.75 1h2x n ASP 642 N 10.00 1.36 -0.06 -0.34 5.75 -1.25 -3.18 116.55 128.83 1h2x n ASP 642 Ca 0.35 -1.59 -0.06 0.00 -0.01 0.00 0.00 54.79 53.49 1h2x n ASP 642 Cb 0.50 -0.06 -0.04 0.00 -1.03 0.00 0.00 41.12 40.49 1h2x n ASP 642 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1h2x h ARG 643 N 1.90 0.00 -4.16 0.11 9.65 -1.92 -3.41 114.38 116.54 1h2x h ARG 643 Ca 0.00 0.00 -0.67 0.00 -1.10 0.00 0.00 59.98 58.21 1h2x h ARG 643 Cb 0.41 0.00 -0.38 0.00 -1.39 0.00 0.00 29.97 28.62 1h2x h ARG 643 CO 0.00 0.29 -0.58 0.08 2.80 0.00 0.00 179.97 182.56 1h2x s VAL 644 N -1.89 2.93 0.19 0.20 1.01 -1.25 -4.62 120.40 116.97 1h2x s VAL 644 Ca -0.09 -2.56 -0.32 0.00 0.00 0.00 0.00 61.98 59.00 1h2x s VAL 644 Cb 0.00 -3.03 -0.15 0.00 0.00 0.00 0.00 36.38 33.20 1h2x s VAL 644 CO 0.24 -0.72 1.24 1.33 0.00 0.00 0.00 175.10 177.19 1h2x n VAL 645 N 3.99 0.89 0.33 2.92 0.24 -1.19 -4.80 118.33 120.71 1h2x n VAL 645 Ca 0.03 -0.22 0.17 0.00 -2.04 0.00 0.00 64.34 62.28 1h2x n VAL 645 Cb 0.39 -1.04 0.92 0.00 -1.47 0.00 0.00 33.84 32.64 1h2x n VAL 645 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1h2x h PRO 646 N 3.66 0.00 -0.55 7.34 0.13 -1.82 -2.24 132.00 138.52 1h2x h PRO 646 Ca -0.44 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.85 1h2x h PRO 646 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1h2x h PRO 646 CO 0.72 0.00 0.44 1.37 -0.23 0.00 0.00 178.00 180.30 1h2x h LEU 647 N 0.00 0.00 0.17 1.56 8.10 -1.88 -0.33 115.31 122.94 1h2x h LEU 647 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1h2x h LEU 647 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.71 1h2x h LEU 647 CO -0.00 0.00 -0.18 0.45 -4.11 0.00 0.00 178.44 174.60 1h2x h HIS 648 N 0.00 -0.47 -0.14 0.17 3.86 -1.71 -0.25 115.15 116.61 1h2x h HIS 648 Ca 0.26 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.33 1h2x h HIS 648 Cb 1.14 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.79 1h2x h HIS 648 CO 0.00 -0.27 -0.53 0.77 0.86 0.00 0.00 177.93 178.76 1h2x h SER 649 N -0.38 0.45 -0.14 2.45 0.02 -1.33 -2.30 113.55 112.31 1h2x h SER 649 Ca 0.00 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1h2x h SER 649 Cb 0.37 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1h2x h SER 649 CO -0.05 0.89 0.06 -0.07 -1.14 0.00 0.00 176.83 176.52 1h2x h LEU 650 N 0.31 0.19 -0.79 5.07 3.38 -0.93 -0.53 115.31 122.01 1h2x h LEU 650 Ca 0.01 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1h2x h LEU 650 Cb 1.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1h2x h LEU 650 CO 0.09 0.29 -0.16 0.11 0.09 0.00 0.00 178.44 178.86 1h2x h LYS 651 N 0.08 0.75 -0.26 1.13 1.57 -1.08 -2.27 116.57 116.49 1h2x h LYS 651 Ca 0.05 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 1h2x h LYS 651 Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1h2x h LYS 651 CO -0.00 0.86 -0.03 0.35 -0.57 0.00 0.00 179.45 180.05 1h2x h PHE 652 N 0.67 0.53 -0.32 -1.35 3.57 -1.23 -2.04 116.94 116.76 1h2x h PHE 652 Ca 0.11 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1h2x h PHE 652 Cb 0.64 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1h2x h PHE 652 CO 0.03 0.67 -0.11 0.97 -2.23 0.00 0.00 178.31 177.64 1h2x h ILE 653 N 0.24 1.23 -0.75 1.41 6.09 -1.01 -0.07 117.51 124.65 1h2x h ILE 653 Ca 0.07 -1.02 -0.04 0.00 -1.37 0.00 0.00 64.86 62.50 1h2x h ILE 653 Cb 0.48 1.11 -0.03 0.00 0.47 0.00 0.00 36.82 38.85 1h2x h ILE 653 CO 0.02 0.34 0.31 0.00 -3.07 0.00 0.00 178.15 175.75 1h2x h ALA 654 N 1.38 0.97 -0.37 0.18 0.00 -1.28 -0.40 119.26 119.75 1h2x h ALA 654 Ca 0.09 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1h2x h ALA 654 Cb 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1h2x h ALA 654 CO 0.03 0.58 -0.18 1.15 0.00 0.00 0.00 179.25 180.83 1h2x h THR 655 N 1.07 1.28 -0.24 0.00 2.02 -0.84 -1.81 112.91 114.39 1h2x h THR 655 Ca 0.25 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 1h2x h THR 655 Cb 0.19 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1h2x h THR 655 CO -0.02 0.43 0.11 -0.07 0.37 0.00 0.00 175.52 176.34 1h2x h LEU 656 N 0.57 0.32 -1.16 2.58 3.38 -0.73 -0.37 115.31 119.90 1h2x h LEU 656 Ca 0.08 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1h2x h LEU 656 Cb 0.73 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1h2x h LEU 656 CO 0.05 0.36 0.01 1.56 0.09 0.00 0.00 178.44 180.52 1h2x h GLN 657 N 0.25 0.60 0.06 1.13 4.20 -1.02 0.35 115.11 120.67 1h2x h GLN 657 Ca 0.08 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1h2x h GLN 657 Cb 0.13 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1h2x h GLN 657 CO -0.01 0.61 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.81 1h2x h TYR 658 N 0.57 -0.07 -0.15 2.96 3.20 -1.10 -2.22 116.97 120.16 1h2x h TYR 658 Ca 0.12 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1h2x h TYR 658 Cb 0.34 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 1h2x h TYR 658 CO 0.01 0.47 -0.20 0.82 -1.64 0.00 0.00 178.16 177.62 1h2x h ILE 659 N -0.94 1.36 0.00 1.81 1.08 -1.11 -3.31 117.51 116.40 1h2x h ILE 659 Ca -0.01 -1.41 -0.40 0.00 -0.39 0.00 0.00 64.86 62.66 1h2x h ILE 659 Cb 0.57 1.93 -0.07 0.00 -3.07 0.00 0.00 36.82 36.18 1h2x h ILE 659 CO 0.01 0.42 -2.47 0.52 -0.69 0.00 0.00 178.15 175.94 1h2x n VAL 660 N -4.49 1.48 0.10 1.67 0.31 -0.07 -4.47 118.33 112.86 1h2x n VAL 660 Ca -0.06 -0.53 0.08 0.00 -0.01 0.00 0.00 64.34 63.82 1h2x n VAL 660 Cb 0.40 -1.48 0.56 0.00 -0.91 0.00 0.00 33.84 32.41 1h2x n VAL 660 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1h2x h GLY 661 N 1.51 0.27 2.00 2.92 0.00 -0.47 -1.87 103.07 107.43 1h2x h GLY 661 Ca -0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1h2x h GLY 661 CO -0.14 0.08 -0.03 3.21 0.00 0.00 0.00 176.54 179.66 1h2x h ARG 662 N 0.24 0.00 -6.84 4.80 3.08 -1.53 -3.46 114.38 110.67 1h2x h ARG 662 Ca 0.11 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.64 1h2x h ARG 662 Cb 0.15 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.26 1h2x h ARG 662 CO -0.02 0.03 0.64 -1.54 -1.07 0.00 0.00 179.97 178.01 1h2x s SER 663 N -5.92 6.80 0.46 7.04 1.04 -0.70 -4.92 113.70 117.49 1h2x s SER 663 Ca 0.03 2.64 0.13 0.00 0.48 0.00 0.00 55.95 59.23 1h2x s SER 663 Cb 0.08 -2.64 1.03 0.00 0.10 0.00 0.00 66.02 64.59 1h2x s SER 663 CO 0.60 -0.53 2.03 0.03 0.98 0.00 0.00 173.24 176.35 1h2x h ARG 664 N 3.76 0.09 0.00 4.02 3.08 -1.88 -2.01 114.38 121.43 1h2x h ARG 664 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1h2x h ARG 664 Cb 1.22 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1h2x h ARG 664 CO 0.68 0.17 0.00 0.36 -1.07 0.00 0.00 179.97 180.11 1h2x n LYS 665 N -4.39 0.12 -2.71 0.04 2.85 -1.26 -4.64 118.16 108.18 1h2x n LYS 665 Ca -0.02 0.19 -0.42 0.00 -1.05 0.00 0.00 58.31 57.00 1h2x n LYS 665 Cb 0.19 -1.67 -0.03 0.00 -0.65 0.00 0.00 35.03 32.87 1h2x n LYS 665 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1h2x s GLN 666 N -3.09 3.42 0.00 -1.58 2.00 -0.76 -4.79 119.66 114.86 1h2x s GLN 666 Ca 0.10 -0.01 0.09 0.00 -2.00 0.00 0.00 55.36 53.54 1h2x s GLN 666 Cb 0.14 -4.04 -0.09 0.00 0.80 0.00 0.00 33.01 29.82 1h2x s GLN 666 CO 0.49 -1.60 0.41 0.09 -0.50 0.00 0.00 175.29 174.18 1h2x n ASN 667 N 7.98 0.50 -4.75 6.67 3.02 -1.26 -4.91 115.26 122.50 1h2x n ASN 667 Ca 0.05 -0.75 -0.40 0.00 -0.03 0.00 0.00 54.58 53.45 1h2x n ASN 667 Cb 0.48 0.95 -0.05 0.00 -0.61 0.00 0.00 39.78 40.55 1h2x n ASN 667 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1h2x s ASN 668 N -1.80 7.31 0.53 6.41 0.01 -1.26 -4.58 114.94 121.55 1h2x s ASN 668 Ca 0.04 1.56 -0.20 0.00 -0.71 0.00 0.00 52.86 53.55 1h2x s ASN 668 Cb 0.07 -2.50 -0.07 0.00 0.41 0.00 0.00 41.25 39.17 1h2x s ASN 668 CO 0.36 0.06 1.11 -2.16 -1.51 0.00 0.00 177.10 174.95 1h2x s PRO 669 N -0.36 3.48 -0.34 -0.60 0.04 -1.26 -4.81 135.00 131.14 1h2x s PRO 669 Ca 0.39 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1h2x s PRO 669 Cb -0.22 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.40 1h2x s PRO 669 CO 0.25 -0.73 0.12 -0.51 0.04 0.00 0.00 177.00 176.17 1h2x s LEU 670 N -3.71 2.79 0.24 -3.56 1.43 -1.26 -0.85 118.68 113.77 1h2x s LEU 670 Ca 0.71 -1.95 0.09 0.00 -1.03 0.00 0.00 54.13 51.96 1h2x s LEU 670 Cb -0.22 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1h2x s LEU 670 CO 0.25 -0.38 -0.15 -0.76 0.23 0.00 0.00 176.35 175.54 1h2x s LEU 671 N 1.21 2.56 0.02 1.79 1.43 0.16 -4.85 118.68 121.01 1h2x s LEU 671 Ca 0.12 -1.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.19 1h2x s LEU 671 Cb -0.19 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 1h2x s LEU 671 CO -0.17 -0.13 -0.07 -0.51 0.23 0.00 0.00 176.35 175.71 1h2x s ILE 672 N -2.83 0.50 -0.09 -0.59 2.07 -1.26 -0.69 121.20 118.31 1h2x s ILE 672 Ca 0.26 -0.65 0.02 0.00 -1.41 0.00 0.00 60.65 58.87 1h2x s ILE 672 Cb -0.01 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 42.10 1h2x s ILE 672 CO 0.10 -0.12 -0.14 -2.28 -1.91 0.00 0.00 174.94 170.60 1h2x s HIS 673 N -0.73 1.74 -0.32 3.50 5.65 -0.14 -4.42 115.29 120.55 1h2x s HIS 673 Ca -0.04 -0.75 -0.03 0.00 0.25 0.00 0.00 55.06 54.49 1h2x s HIS 673 Cb -0.06 -1.27 0.06 0.00 -1.18 0.00 0.00 32.58 30.12 1h2x s HIS 673 CO 0.00 -0.40 0.05 0.08 -0.65 0.00 0.00 174.74 173.83 1h2x s VAL 674 N 0.91 3.22 0.69 0.89 1.01 -1.26 -1.63 120.40 124.24 1h2x s VAL 674 Ca -0.09 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.35 1h2x s VAL 674 Cb -0.15 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1h2x s VAL 674 CO 0.00 -0.21 1.08 -0.62 0.00 0.00 0.00 175.10 175.35 1h2x s ASP 675 N 1.37 5.56 0.19 3.32 2.15 -0.27 -4.84 116.67 124.15 1h2x s ASP 675 Ca -0.02 1.26 0.07 0.00 0.43 0.00 0.00 52.55 54.28 1h2x s ASP 675 Cb -0.20 -2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 1h2x s ASP 675 CO -0.01 -1.28 0.05 0.42 -0.17 0.00 0.00 175.17 174.19 1h2x s THR 676 N -3.27 3.97 -1.42 1.71 -4.23 -1.26 -1.18 115.64 109.96 1h2x s THR 676 Ca 0.58 -1.37 -0.11 0.00 -1.18 0.00 0.00 61.69 59.61 1h2x s THR 676 Cb -0.12 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.77 1h2x s THR 676 CO 0.53 -0.16 0.66 0.29 -0.54 0.00 0.00 174.62 175.40 1h2x n LYS 677 N -0.35 -4.15 -3.97 3.99 5.02 -1.26 -4.93 118.16 112.50 1h2x n LYS 677 Ca -0.09 0.56 -0.08 0.00 -2.02 0.00 0.00 58.31 56.68 1h2x n LYS 677 Cb 0.56 -5.35 -0.09 0.00 -0.02 0.00 0.00 35.03 30.14 1h2x n LYS 677 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2x s ALA 678 N -3.08 0.15 0.00 7.82 0.00 -1.04 -4.36 121.76 121.24 1h2x s ALA 678 Ca 0.48 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1h2x s ALA 678 Cb -0.25 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1h2x s ALA 678 CO 0.59 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1h2x n GLY 679 N 0.01 5.33 0.27 0.00 0.00 -1.13 -0.94 105.19 108.73 1h2x n GLY 679 Ca -0.14 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.81 1h2x n GLY 679 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1h2x h HIS 680 N 0.00 0.19 0.00 1.61 2.76 -1.78 -3.42 115.15 114.51 1h2x h HIS 680 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1h2x h HIS 680 Cb 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1h2x h HIS 680 CO 0.00 0.17 0.00 0.41 -1.30 0.00 0.00 177.93 177.21 1h2x n GLY 681 N -1.36 3.35 3.75 5.26 0.00 -1.26 -4.93 105.19 109.99 1h2x n GLY 681 Ca -0.01 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1h2x n GLY 681 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h2x s ALA 682 N 0.00 3.71 0.00 4.61 0.00 -1.26 -2.02 121.76 126.80 1h2x s ALA 682 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1h2x s ALA 682 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1h2x s ALA 682 CO 0.00 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1h2x n GLY 683 N 2.15 0.73 3.73 0.00 0.00 -1.26 -4.76 105.19 105.78 1h2x n GLY 683 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1h2x n GLY 683 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h2x s LYS 684 N -0.12 4.17 0.63 1.61 2.20 -0.85 -4.73 119.74 122.64 1h2x s LYS 684 Ca 0.00 2.49 -0.17 0.00 -0.36 0.00 0.00 55.97 57.93 1h2x s LYS 684 Cb 0.00 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1h2x s LYS 684 CO 0.00 -0.65 1.18 -1.25 -0.36 0.00 0.00 175.35 174.27 1h2x s PRO 685 N 0.64 2.80 0.27 4.03 0.04 -1.26 -4.79 135.00 136.74 1h2x s PRO 685 Ca 0.69 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.44 1h2x s PRO 685 Cb -0.47 -1.92 0.62 0.00 0.04 0.00 0.00 34.50 32.77 1h2x s PRO 685 CO 0.36 -1.31 1.71 1.15 0.04 0.00 0.00 177.00 178.95 1h2x h THR 686 N 0.49 0.55 -0.78 1.26 2.02 -1.50 -0.36 112.91 114.60 1h2x h THR 686 Ca -0.49 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 66.60 1h2x h THR 686 Cb 1.28 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 1h2x h THR 686 CO 0.54 0.08 0.46 0.00 0.37 0.00 0.00 175.52 176.97 1h2x h ALA 687 N 1.65 1.06 -0.16 6.16 0.00 -1.87 -0.25 119.26 125.84 1h2x h ALA 687 Ca 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.25 1h2x h ALA 687 Cb 0.88 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1h2x h ALA 687 CO -0.48 0.17 -0.60 0.87 0.00 0.00 0.00 179.25 179.21 1h2x h LYS 688 N 0.85 0.55 -0.55 0.00 1.57 -1.48 -2.20 116.57 115.31 1h2x h LYS 688 Ca 0.34 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1h2x h LYS 688 Cb 0.19 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1h2x h LYS 688 CO -0.18 0.99 0.34 0.28 -0.57 0.00 0.00 179.45 180.31 1h2x h VAL 689 N 0.41 1.16 -0.60 0.50 2.07 -0.36 0.11 116.25 119.54 1h2x h VAL 689 Ca -0.00 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1h2x h VAL 689 Cb 1.16 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1h2x h VAL 689 CO 0.11 0.16 0.19 0.40 0.02 0.00 0.00 177.57 178.45 1h2x h ILE 690 N 0.74 1.24 -0.71 4.57 2.04 -0.97 -1.85 117.51 122.57 1h2x h ILE 690 Ca 0.20 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1h2x h ILE 690 Cb -0.04 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1h2x h ILE 690 CO -0.04 0.31 0.20 -0.33 0.00 0.00 0.00 178.15 178.29 1h2x h GLU 691 N 0.86 1.11 -0.04 2.37 4.39 -0.96 -1.96 114.58 120.35 1h2x h GLU 691 Ca 0.19 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1h2x h GLU 691 Cb 0.29 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1h2x h GLU 691 CO -0.01 0.96 0.01 1.49 -1.16 0.00 0.00 179.01 180.31 1h2x h GLU 692 N 1.06 0.06 -0.01 2.33 4.81 -0.64 -0.71 114.58 121.48 1h2x h GLU 692 Ca 0.23 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1h2x h GLU 692 Cb 0.33 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1h2x h GLU 692 CO -0.00 0.25 -0.31 -0.39 -0.73 0.00 0.00 179.01 177.82 1h2x h VAL 693 N -0.13 1.23 -0.54 0.32 -1.51 -1.30 -1.22 116.25 113.10 1h2x h VAL 693 Ca 0.01 -1.09 -0.09 0.00 -1.23 0.00 0.00 66.70 64.30 1h2x h VAL 693 Cb 0.21 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 1h2x h VAL 693 CO -0.00 0.31 -0.02 0.28 -1.23 0.00 0.00 177.57 176.91 1h2x h SER 694 N 0.02 0.96 -0.22 4.19 0.02 -1.05 -1.34 113.55 116.12 1h2x h SER 694 Ca 0.00 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1h2x h SER 694 Cb 0.56 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1h2x h SER 694 CO 0.04 1.04 0.10 0.44 -1.14 0.00 0.00 176.83 177.31 1h2x h ASP 695 N 0.85 0.29 0.33 3.07 3.32 -0.70 -1.18 116.42 122.39 1h2x h ASP 695 Ca 0.15 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1h2x h ASP 695 Cb 0.56 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1h2x h ASP 695 CO 0.03 0.35 -0.30 0.24 -1.72 0.00 0.00 179.24 177.85 1h2x h MET 696 N 0.21 -0.62 0.00 3.56 2.86 -1.00 -0.66 114.93 119.27 1h2x h MET 696 Ca 0.07 0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1h2x h MET 696 Cb 0.14 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1h2x h MET 696 CO -0.01 -0.41 -0.27 0.74 1.06 0.00 0.00 176.91 178.02 1h2x h PHE 697 N -0.64 0.00 -0.28 -0.22 0.04 -1.27 -1.90 116.94 112.66 1h2x h PHE 697 Ca -0.02 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.58 1h2x h PHE 697 Cb 0.58 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 1h2x h PHE 697 CO -0.17 0.27 -0.49 0.00 -0.60 0.00 0.00 178.31 177.32 1h2x h ALA 698 N 1.73 0.61 -0.15 2.45 0.00 -1.08 -0.40 119.26 122.42 1h2x h ALA 698 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1h2x h ALA 698 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1h2x h ALA 698 CO 0.03 0.68 0.06 0.35 0.00 0.00 0.00 179.25 180.38 1h2x h PHE 699 N 0.60 0.22 -0.32 0.00 3.57 -0.66 -0.40 116.94 119.95 1h2x h PHE 699 Ca 0.03 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1h2x h PHE 699 Cb 1.06 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1h2x h PHE 699 CO 0.06 0.28 0.15 0.82 -2.23 0.00 0.00 178.31 177.39 1h2x h ILE 700 N 0.09 0.97 -0.38 1.41 2.04 -1.26 -0.77 117.51 119.62 1h2x h ILE 700 Ca 0.05 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1h2x h ILE 700 Cb 0.15 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1h2x h ILE 700 CO -0.00 0.06 0.24 0.00 0.00 0.00 0.00 178.15 178.44 1h2x h ALA 701 N 1.17 0.49 -0.29 1.87 0.00 -0.86 -0.59 119.26 121.05 1h2x h ALA 701 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1h2x h ALA 701 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1h2x h ALA 701 CO -0.10 -0.03 -0.17 -0.09 0.00 0.00 0.00 179.25 178.85 1h2x h ARG 702 N 0.51 0.63 -0.38 0.00 2.43 -0.87 0.94 114.38 117.63 1h2x h ARG 702 Ca 0.14 -0.29 -0.13 0.00 -0.81 0.00 0.00 59.98 58.90 1h2x h ARG 702 Cb -0.03 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1h2x h ARG 702 CO -0.03 0.87 -0.27 0.00 -1.51 0.00 0.00 179.97 179.04 1h2x n LEU 704 N -4.09 2.60 -3.53 0.00 4.77 -0.24 -4.97 117.00 111.54 1h2x n LEU 704 Ca -0.00 -1.01 -0.20 0.00 -0.03 0.00 0.00 56.01 54.76 1h2x n LEU 704 Cb 0.46 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1h2x n LEU 704 CO 0.45 0.50 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.81 1h2x n ASN 705 N 0.97 -3.32 -4.63 -1.43 5.15 0.09 -4.98 115.26 107.11 1h2x n ASN 705 Ca 0.17 -0.78 -0.36 0.00 -0.60 0.00 0.00 54.58 53.01 1h2x n ASN 705 Cb 0.50 -4.46 -0.10 0.00 -0.53 0.00 0.00 39.78 35.19 1h2x n ASN 705 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1h2x s ILE 706 N -3.51 5.09 0.35 -1.44 1.01 0.10 -5.04 121.20 117.77 1h2x s ILE 706 Ca 0.19 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.75 1h2x s ILE 706 Cb -0.04 -3.35 -0.10 0.00 0.01 0.00 0.00 42.46 38.98 1h2x s ILE 706 CO 0.79 0.37 0.80 -1.81 0.00 0.00 0.00 174.94 175.09 1h2x s ASP 707 N 0.95 6.84 0.29 3.58 1.01 -1.26 -4.76 116.67 123.31 1h2x s ASP 707 Ca 0.06 1.41 -0.29 0.00 0.71 0.00 0.00 52.55 54.44 1h2x s ASP 707 Cb -0.13 -2.43 -0.10 0.00 1.01 0.00 0.00 42.92 41.27 1h2x s ASP 707 CO 0.03 -0.25 1.11 0.86 0.21 0.00 0.00 175.17 177.13 1h2x s TRP 708 N -2.03 3.54 -0.37 4.23 -0.11 -1.26 -4.75 118.94 118.18 1h2x s TRP 708 Ca 0.56 1.68 -0.02 0.00 1.22 0.00 0.00 56.10 59.54 1h2x s TRP 708 Cb -0.10 -3.30 0.09 0.00 -1.50 0.00 0.00 33.47 28.66 1h2x s TRP 708 CO 0.16 -0.62 0.14 0.42 -4.62 0.00 0.00 176.95 172.43 1h2x s ILE 709 N -1.18 3.19 -1.28 5.86 1.01 0.85 -5.02 121.20 124.63 1h2x s ILE 709 Ca 0.45 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 59.27 1h2x s ILE 709 Cb -0.32 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1h2x s ILE 709 CO 0.41 -0.50 0.32 -2.65 0.00 0.00 0.00 174.94 172.52