#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4a s LYS 3 N 0.00 0.12 -0.08 -2.82 2.20 -1.26 -0.97 119.74 116.92 1j4a s LYS 3 Ca 0.00 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.59 1j4a s LYS 3 Cb 0.00 -0.14 0.01 0.00 -1.51 0.00 0.00 37.83 36.20 1j4a s LYS 3 CO 0.00 0.02 -0.14 0.42 -0.36 0.00 0.00 175.35 175.29 1j4a s ILE 4 N 0.06 1.32 -0.10 5.43 1.01 -0.17 -0.86 121.20 127.88 1j4a s ILE 4 Ca -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1j4a s ILE 4 Cb -0.02 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1j4a s ILE 4 CO -0.00 0.40 -0.15 0.12 0.00 0.00 0.00 174.94 175.30 1j4a s PHE 5 N 0.80 2.72 0.07 3.97 5.36 -0.86 -2.26 117.98 127.79 1j4a s PHE 5 Ca -0.11 -0.53 0.10 0.00 -0.96 0.00 0.00 56.93 55.42 1j4a s PHE 5 Cb -0.16 -1.74 -0.03 0.00 -0.34 0.00 0.00 43.02 40.75 1j4a s PHE 5 CO 0.02 -0.10 -0.25 0.00 -1.46 0.00 0.00 175.22 173.42 1j4a s ALA 6 N -0.03 2.34 0.26 11.12 0.00 -0.82 -0.79 121.76 133.83 1j4a s ALA 6 Ca -0.04 -1.32 0.11 0.00 0.00 0.00 0.00 51.96 50.71 1j4a s ALA 6 Cb -0.14 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1j4a s ALA 6 CO 0.04 0.54 -0.17 0.71 0.00 0.00 0.00 175.76 176.88 1j4a s TYR 7 N -0.90 2.37 -1.45 0.00 2.02 0.49 -1.78 117.35 118.10 1j4a s TYR 7 Ca 0.13 -0.31 -0.09 0.00 -0.37 0.00 0.00 57.07 56.43 1j4a s TYR 7 Cb -0.10 -1.06 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 1j4a s TYR 7 CO 0.04 0.65 0.94 0.00 -1.57 0.00 0.00 175.55 175.61 1j4a n ALA 8 N -0.47 -1.20 -2.34 3.71 0.00 -0.41 -4.19 120.51 115.62 1j4a n ALA 8 Ca -0.07 0.31 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 1j4a n ALA 8 Cb 0.59 -4.69 -0.03 0.00 0.00 0.00 0.00 19.45 15.33 1j4a n ALA 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j4a s ILE 9 N -3.25 3.96 0.36 0.00 -1.09 -0.92 -4.92 121.20 115.35 1j4a s ILE 9 Ca 0.52 1.33 0.01 0.00 -2.23 0.00 0.00 60.65 60.28 1j4a s ILE 9 Cb -0.24 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 36.76 1j4a s ILE 9 CO 0.64 0.01 0.56 -0.13 -1.23 0.00 0.00 174.94 174.79 1j4a s ARG 10 N 2.12 3.33 0.28 2.79 0.52 -1.26 -4.43 118.95 122.30 1j4a s ARG 10 Ca 0.60 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.34 1j4a s ARG 10 Cb -0.29 -2.67 0.56 0.00 0.52 0.00 0.00 34.95 33.08 1j4a s ARG 10 CO 0.25 0.05 1.81 1.49 0.02 0.00 0.00 175.30 178.92 1j4a h GLU 11 N 0.71 0.84 0.00 3.54 4.57 -2.02 -0.50 114.58 121.72 1j4a h GLU 11 Ca -0.49 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1j4a h GLU 11 Cb 1.23 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1j4a h GLU 11 CO 0.59 0.56 0.00 0.38 -1.18 0.00 0.00 179.01 179.36 1j4a h ASP 12 N 0.87 0.00 0.77 1.04 2.03 -2.02 -2.42 116.42 116.68 1j4a h ASP 12 Ca 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 1j4a h ASP 12 Cb 0.58 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1j4a h ASP 12 CO -0.30 0.00 -0.83 -0.62 -1.03 0.00 0.00 179.24 176.46 1j4a n GLU 13 N -2.43 0.37 -0.25 4.15 1.02 -0.22 -4.47 120.64 118.80 1j4a n GLU 13 Ca 0.03 0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.21 1j4a n GLU 13 Cb 0.30 -1.69 0.09 0.00 -0.02 0.00 0.00 31.44 30.12 1j4a n GLU 13 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1j4a h LYS 14 N 0.00 0.81 -0.87 3.49 1.57 -1.20 -2.35 116.57 118.02 1j4a h LYS 14 Ca 0.00 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1j4a h LYS 14 Cb 0.80 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 1j4a h LYS 14 CO 0.00 0.54 0.57 -1.35 -0.57 0.00 0.00 179.45 178.63 1j4a h PRO 15 N 0.83 0.89 0.00 3.15 0.11 -1.78 -0.41 132.00 134.78 1j4a h PRO 15 Ca 0.29 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.24 1j4a h PRO 15 Cb 0.06 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 1j4a h PRO 15 CO -0.13 0.59 -0.72 0.74 -0.21 0.00 0.00 178.00 178.26 1j4a h PHE 16 N 0.91 0.00 -0.25 0.65 -1.00 -1.73 -2.20 116.94 113.32 1j4a h PHE 16 Ca 0.39 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.99 1j4a h PHE 16 Cb 0.32 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.88 1j4a h PHE 16 CO -0.00 0.47 -0.57 1.25 -1.61 0.00 0.00 178.31 177.85 1j4a h LEU 17 N 0.00 0.89 -0.60 1.54 5.85 -0.79 -1.38 115.31 120.82 1j4a h LEU 17 Ca -0.04 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.20 1j4a h LEU 17 Cb 1.40 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1j4a h LEU 17 CO 0.05 1.27 0.39 0.50 -0.34 0.00 0.00 178.44 180.31 1j4a h LYS 18 N 0.60 0.76 -0.63 1.25 3.11 -1.07 -1.16 116.57 119.43 1j4a h LYS 18 Ca 0.01 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.71 1j4a h LYS 18 Cb 1.17 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 32.20 1j4a h LYS 18 CO 0.12 0.50 0.04 1.49 -2.81 0.00 0.00 179.45 178.80 1j4a h GLU 19 N 0.78 1.08 -0.39 1.90 4.81 -1.22 -1.63 114.58 119.91 1j4a h GLU 19 Ca 0.23 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1j4a h GLU 19 Cb -0.05 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1j4a h GLU 19 CO -0.07 1.03 0.05 2.35 -0.73 0.00 0.00 179.01 181.65 1j4a h TRP 20 N 0.99 0.70 -0.05 0.92 7.01 -0.82 -2.78 115.95 121.92 1j4a h TRP 20 Ca 0.18 -0.10 0.04 0.00 2.11 0.00 0.00 58.89 61.12 1j4a h TRP 20 Cb 0.51 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.33 1j4a h TRP 20 CO 0.04 0.70 -0.26 0.93 -2.79 0.00 0.00 178.44 177.06 1j4a h GLU 21 N 0.50 -0.36 -0.30 2.65 5.08 -0.94 -1.76 114.58 119.45 1j4a h GLU 21 Ca 0.12 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.59 1j4a h GLU 21 Cb 0.38 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1j4a h GLU 21 CO 0.01 -0.24 0.27 -0.44 -1.00 0.00 0.00 179.01 177.61 1j4a h ASP 22 N -0.37 0.00 0.35 1.42 5.19 -1.28 0.33 116.42 122.07 1j4a h ASP 22 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1j4a h ASP 22 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1j4a h ASP 22 CO -0.26 0.00 -0.35 0.00 -3.12 0.00 0.00 179.24 175.51 1j4a n ALA 23 N -2.44 3.25 -3.18 3.45 0.00 -0.71 -4.38 120.51 116.50 1j4a n ALA 23 Ca 0.04 -0.37 -0.20 0.00 0.00 0.00 0.00 53.44 52.90 1j4a n ALA 23 Cb 0.43 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 1j4a n ALA 23 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j4a n HIS 24 N -1.01 -0.17 0.30 0.00 8.25 0.11 -4.97 115.22 117.73 1j4a n HIS 24 Ca 0.10 -3.64 0.19 0.00 -0.26 0.00 0.00 57.72 54.11 1j4a n HIS 24 Cb 0.34 -0.33 0.93 0.00 1.12 0.00 0.00 29.99 32.05 1j4a n HIS 24 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1j4a h LYS 25 N 3.47 0.00 0.00 -0.41 6.56 -1.70 -1.74 116.57 122.75 1j4a h LYS 25 Ca 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1j4a h LYS 25 Cb 0.93 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.59 1j4a h LYS 25 CO 0.47 0.01 0.00 0.38 -2.06 0.00 0.00 179.45 178.26 1j4a h ASP 26 N 0.00 0.00 -3.02 0.86 -0.00 -1.93 -3.44 116.42 108.88 1j4a h ASP 26 Ca -0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 57.03 56.41 1j4a h ASP 26 Cb 0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 39.52 1j4a h ASP 26 CO 0.00 0.00 -0.31 -0.69 -0.00 0.00 0.00 179.24 178.24 1j4a s VAL 27 N -3.34 5.24 -0.05 4.15 1.01 -0.66 -4.49 120.40 122.26 1j4a s VAL 27 Ca 0.06 0.59 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 1j4a s VAL 27 Cb 0.08 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1j4a s VAL 27 CO 0.59 0.52 0.51 -0.70 0.00 0.00 0.00 175.10 176.02 1j4a s GLU 28 N -0.51 4.25 -0.08 2.72 2.12 -0.15 -5.00 118.70 122.07 1j4a s GLU 28 Ca 0.19 0.55 0.03 0.00 0.36 0.00 0.00 54.97 56.11 1j4a s GLU 28 Cb -0.14 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1j4a s GLU 28 CO 0.08 0.34 -0.16 0.08 -0.54 0.00 0.00 175.26 175.05 1j4a s VAL 29 N -0.01 1.47 0.13 3.70 1.01 -1.26 -1.00 120.40 124.43 1j4a s VAL 29 Ca 0.27 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1j4a s VAL 29 Cb -0.17 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1j4a s VAL 29 CO 0.14 0.43 -0.05 -1.61 0.00 0.00 0.00 175.10 174.00 1j4a s GLU 30 N 0.55 0.96 0.29 2.72 0.41 -0.96 -5.01 118.70 117.66 1j4a s GLU 30 Ca -0.16 -1.41 -0.17 0.00 -0.41 0.00 0.00 54.97 52.81 1j4a s GLU 30 Cb -0.17 -0.29 0.02 0.00 -1.78 0.00 0.00 34.13 31.91 1j4a s GLU 30 CO 0.06 -0.04 0.65 1.52 -0.49 0.00 0.00 175.26 176.96 1j4a s TYR 31 N -3.58 0.07 0.08 1.61 1.13 -1.26 -1.94 117.35 113.46 1j4a s TYR 31 Ca 0.16 -0.53 0.01 0.00 -1.41 0.00 0.00 57.07 55.30 1j4a s TYR 31 Cb 0.05 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.41 1j4a s TYR 31 CO -0.01 -1.21 -0.05 -0.08 -2.51 0.00 0.00 175.55 171.69 1j4a s THR 32 N -3.67 0.49 -1.19 -3.49 -1.32 -0.73 -4.95 115.64 100.77 1j4a s THR 32 Ca 0.16 -1.89 0.26 0.00 -1.21 0.00 0.00 61.69 59.01 1j4a s THR 32 Cb -0.04 -1.65 0.09 0.00 -1.51 0.00 0.00 72.50 69.38 1j4a s THR 32 CO 0.09 -0.89 1.48 -0.90 -2.21 0.00 0.00 174.62 172.19 1j4a n ASP 33 N 0.01 0.60 -4.76 8.08 3.85 -1.26 -2.15 116.55 120.91 1j4a n ASP 33 Ca -0.12 -0.38 -0.34 0.00 -0.71 0.00 0.00 54.79 53.24 1j4a n ASP 33 Cb 0.61 0.19 0.04 0.00 -1.35 0.00 0.00 41.12 40.61 1j4a n ASP 33 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1j4a s LYS 34 N -2.87 2.91 0.76 0.11 1.02 -1.26 -3.92 119.74 116.49 1j4a s LYS 34 Ca 0.15 1.54 -0.11 0.00 0.02 0.00 0.00 55.97 57.57 1j4a s LYS 34 Cb 0.18 -1.95 0.05 0.00 -0.52 0.00 0.00 37.83 35.59 1j4a s LYS 34 CO 0.65 -1.19 1.08 -0.51 -0.92 0.00 0.00 175.35 174.46 1j4a s LEU 35 N -4.50 2.78 -0.38 3.17 1.43 -1.26 -1.28 118.68 118.64 1j4a s LEU 35 Ca 0.71 1.40 -0.23 0.00 -1.03 0.00 0.00 54.13 54.98 1j4a s LEU 35 Cb -0.23 -4.11 0.01 0.00 0.03 0.00 0.00 46.19 41.89 1j4a s LEU 35 CO 0.37 -1.77 0.76 -0.22 0.23 0.00 0.00 176.35 175.71 1j4a s LEU 36 N -5.69 4.18 0.38 1.79 2.96 -1.26 -4.81 118.68 116.23 1j4a s LEU 36 Ca 0.60 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.77 1j4a s LEU 36 Cb -0.14 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 1j4a s LEU 36 CO 0.54 -0.74 0.09 0.42 -1.32 0.00 0.00 176.35 175.34 1j4a s THR 37 N 3.07 0.91 0.28 3.68 -4.23 -1.26 -4.95 115.64 113.14 1j4a s THR 37 Ca 0.30 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1j4a s THR 37 Cb -0.13 -2.54 0.27 0.00 1.34 0.00 0.00 72.50 71.44 1j4a s THR 37 CO 0.18 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 175.41 1j4a h PRO 38 N 1.91 0.80 0.00 3.99 0.11 -1.88 0.09 132.00 137.02 1j4a h PRO 38 Ca -0.38 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.44 1j4a h PRO 38 Cb 1.26 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1j4a h PRO 38 CO 0.64 0.53 -1.25 0.93 -0.21 0.00 0.00 178.00 178.64 1j4a h GLU 39 N 0.82 0.00 0.00 1.05 3.07 -1.96 -3.27 114.58 114.30 1j4a h GLU 39 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1j4a h GLU 39 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1j4a h GLU 39 CO -0.32 0.79 -0.28 0.25 -1.40 0.00 0.00 179.01 178.05 1j4a n THR 40 N -3.23 0.10 -0.07 1.13 -2.24 -0.86 -3.61 114.28 105.50 1j4a n THR 40 Ca -0.06 -0.06 0.17 0.00 -2.27 0.00 0.00 64.05 61.83 1j4a n THR 40 Cb 0.98 -0.16 0.60 0.00 -2.10 0.00 0.00 70.33 69.64 1j4a n THR 40 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1j4a h VAL 41 N 0.00 0.78 -0.09 2.28 3.04 -1.05 0.12 116.25 121.33 1j4a h VAL 41 Ca 0.00 -0.07 0.03 0.00 -1.01 0.00 0.00 66.70 65.65 1j4a h VAL 41 Cb 0.55 0.56 -0.00 0.00 -2.01 0.00 0.00 31.29 30.39 1j4a h VAL 41 CO 0.00 0.04 0.07 0.00 -1.01 0.00 0.00 177.57 176.67 1j4a h ALA 42 N 1.70 1.89 -0.01 3.17 0.00 -1.77 -1.67 119.26 122.57 1j4a h ALA 42 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1j4a h ALA 42 Cb 0.89 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1j4a h ALA 42 CO -0.05 -0.12 0.02 -0.07 0.00 0.00 0.00 179.25 179.02 1j4a h LEU 43 N 0.00 0.00 -0.61 0.00 3.38 -1.22 -1.35 115.31 115.51 1j4a h LEU 43 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1j4a h LEU 43 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1j4a h LEU 43 CO -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.39 1j4a n ALA 44 N -2.29 2.84 -1.69 1.53 0.00 -0.63 -4.92 120.51 115.36 1j4a n ALA 44 Ca -0.03 -0.39 -0.44 0.00 0.00 0.00 0.00 53.44 52.57 1j4a n ALA 44 Cb 0.10 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 1j4a n ALA 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1j4a n LYS 45 N -0.40 2.48 0.00 0.00 4.81 -0.51 -0.86 118.16 123.68 1j4a n LYS 45 Ca 0.15 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.49 1j4a n LYS 45 Cb 0.33 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.65 1j4a n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j4a n GLY 46 N 3.92 2.79 3.89 3.14 0.00 -1.26 -5.07 105.19 112.60 1j4a n GLY 46 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1j4a n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4a s ALA 47 N -2.50 3.26 -0.49 4.61 0.00 -0.04 -4.75 121.76 121.85 1j4a s ALA 47 Ca 0.00 -0.29 0.22 0.00 0.00 0.00 0.00 51.96 51.89 1j4a s ALA 47 Cb 0.00 -2.81 -0.19 0.00 0.00 0.00 0.00 23.12 20.11 1j4a s ALA 47 CO 0.00 -0.46 0.77 -0.25 0.00 0.00 0.00 175.76 175.82 1j4a n ASP 48 N -2.37 0.50 -3.43 0.00 8.00 -0.04 -4.73 116.55 114.47 1j4a n ASP 48 Ca 0.03 -0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.05 1j4a n ASP 48 Cb 0.55 1.33 -0.02 0.00 -0.02 0.00 0.00 41.12 42.95 1j4a n ASP 48 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1j4a s GLY 49 N -3.81 -0.60 0.10 0.44 0.00 -1.21 -4.58 107.32 97.65 1j4a s GLY 49 Ca 0.00 0.57 0.08 0.00 0.00 0.00 0.00 44.72 45.37 1j4a s GLY 49 CO 0.87 0.20 -0.21 -1.34 0.00 0.00 0.00 173.10 172.62 1j4a s VAL 50 N -3.61 1.69 -0.17 1.40 -7.23 0.55 -2.02 120.40 111.01 1j4a s VAL 50 Ca 0.01 -1.52 -0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1j4a s VAL 50 Cb -0.01 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.40 1j4a s VAL 50 CO -0.12 -0.05 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.78 1j4a s VAL 51 N -1.15 2.66 0.22 1.32 1.01 0.03 -0.81 120.40 123.68 1j4a s VAL 51 Ca 0.06 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1j4a s VAL 51 Cb -0.10 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1j4a s VAL 51 CO 0.04 0.51 0.04 0.68 0.00 0.00 0.00 175.10 176.36 1j4a s VAL 52 N 0.99 0.73 -0.30 2.92 -7.23 -0.01 -0.38 120.40 117.12 1j4a s VAL 52 Ca -0.02 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.08 1j4a s VAL 52 Cb -0.15 -2.37 0.19 0.00 0.56 0.00 0.00 36.38 34.61 1j4a s VAL 52 CO -0.03 -0.26 0.88 -0.47 -0.31 0.00 0.00 175.10 174.91 1j4a s TYR 53 N -3.63 -0.97 -0.04 2.82 5.04 -1.26 -1.21 117.35 118.10 1j4a s TYR 53 Ca 0.30 0.81 -0.29 0.00 -2.44 0.00 0.00 57.07 55.45 1j4a s TYR 53 Cb 0.07 0.26 0.10 0.00 0.35 0.00 0.00 41.96 42.74 1j4a s TYR 53 CO 0.09 -0.55 0.89 1.14 -1.34 0.00 0.00 175.55 175.78 1j4a s GLN 54 N 2.91 0.80 0.02 4.97 -2.07 -1.26 -4.72 119.66 120.30 1j4a s GLN 54 Ca 0.13 -0.18 -0.07 0.00 -1.82 0.00 0.00 55.36 53.42 1j4a s GLN 54 Cb -0.09 0.37 -0.30 0.00 -1.09 0.00 0.00 33.01 31.90 1j4a s GLN 54 CO -0.19 -0.33 0.92 1.96 -1.32 0.00 0.00 175.29 176.33 1j4a h GLN 55 N 2.17 0.32 -6.17 9.60 7.50 -2.00 -3.46 115.11 123.07 1j4a h GLN 55 Ca -0.22 -0.56 -0.72 0.00 0.50 0.00 0.00 58.65 57.66 1j4a h GLN 55 Cb 1.22 0.21 0.02 0.00 0.05 0.00 0.00 27.48 28.97 1j4a h GLN 55 CO 0.31 1.22 0.92 -0.11 -1.50 0.00 0.00 178.83 179.67 1j4a n LEU 56 N -3.53 2.52 -4.66 1.46 7.94 -1.26 -4.83 117.00 114.64 1j4a n LEU 56 Ca -0.16 1.06 -0.40 0.00 -1.11 0.00 0.00 56.01 55.40 1j4a n LEU 56 Cb 1.05 -1.18 0.02 0.00 0.53 0.00 0.00 43.42 43.85 1j4a n LEU 56 CO 0.53 -0.39 0.74 0.47 -1.11 0.00 0.00 177.39 177.62 1j4a n ASP 57 N 5.46 1.83 -4.37 1.96 8.00 -1.26 -4.90 116.55 123.27 1j4a n ASP 57 Ca 0.26 1.02 -0.44 0.00 0.71 0.00 0.00 54.79 56.33 1j4a n ASP 57 Cb 0.15 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 1j4a n ASP 57 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1j4a n TYR 58 N -0.65 4.91 -1.01 1.24 4.02 -0.03 -4.99 117.16 120.65 1j4a n TYR 58 Ca 0.09 -3.53 -0.29 0.00 -0.01 0.00 0.00 57.90 54.16 1j4a n TYR 58 Cb 0.41 -1.95 0.22 0.00 -0.02 0.00 0.00 39.34 38.00 1j4a n TYR 58 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1j4a s ILE 59 N 0.18 1.81 0.36 -0.72 -4.36 -1.26 -1.88 121.20 115.32 1j4a s ILE 59 Ca 0.37 0.00 0.04 0.00 -0.26 0.00 0.00 60.65 60.80 1j4a s ILE 59 Cb -0.05 -2.41 0.27 0.00 1.25 0.00 0.00 42.46 41.52 1j4a s ILE 59 CO -0.03 0.00 2.00 0.00 0.24 0.00 0.00 174.94 177.15 1j4a h ALA 60 N -2.35 1.60 -0.49 2.27 0.00 -1.96 -0.83 119.26 117.51 1j4a h ALA 60 Ca -0.52 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 1j4a h ALA 60 Cb 1.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1j4a h ALA 60 CO 0.47 0.34 -0.17 1.49 0.00 0.00 0.00 179.25 181.38 1j4a h GLU 61 N 0.81 0.97 -0.21 0.00 4.81 -1.98 -0.60 114.58 118.38 1j4a h GLU 61 Ca 0.25 -0.39 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1j4a h GLU 61 Cb 0.02 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1j4a h GLU 61 CO -0.07 1.07 -0.14 1.15 -0.73 0.00 0.00 179.01 180.29 1j4a h THR 62 N 0.83 1.32 -0.70 0.32 2.02 -1.62 -1.48 112.91 113.59 1j4a h THR 62 Ca 0.12 -1.25 -0.07 0.00 0.77 0.00 0.00 66.41 65.98 1j4a h THR 62 Cb 0.74 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 1j4a h THR 62 CO 0.06 0.38 0.18 -0.07 0.37 0.00 0.00 175.52 176.44 1j4a h LEU 63 N 0.15 1.04 -0.25 2.58 3.38 -1.18 -1.24 115.31 119.80 1j4a h LEU 63 Ca 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1j4a h LEU 63 Cb 0.66 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1j4a h LEU 63 CO 0.04 0.99 0.16 -0.61 0.09 0.00 0.00 178.44 179.11 1j4a h GLN 64 N 1.05 0.33 -0.10 1.13 5.75 -1.07 -1.10 115.11 121.10 1j4a h GLN 64 Ca 0.22 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.63 1j4a h GLN 64 Cb 0.35 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1j4a h GLN 64 CO -0.00 0.23 -0.24 0.00 -2.65 0.00 0.00 178.83 176.16 1j4a h ALA 65 N 1.09 1.42 0.08 3.38 0.00 -1.03 0.13 119.26 124.32 1j4a h ALA 65 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1j4a h ALA 65 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1j4a h ALA 65 CO -0.02 0.41 -0.04 -0.07 0.00 0.00 0.00 179.25 179.54 1j4a h LEU 66 N 0.16 -0.09 -1.39 0.00 3.38 -0.87 -2.55 115.31 113.94 1j4a h LEU 66 Ca 0.03 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.77 1j4a h LEU 66 Cb 0.52 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1j4a h LEU 66 CO 0.04 0.26 0.49 0.00 0.09 0.00 0.00 178.44 179.31 1j4a h ALA 67 N 0.43 1.76 0.00 1.53 0.00 -0.73 0.12 119.26 122.37 1j4a h ALA 67 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1j4a h ALA 67 Cb 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1j4a h ALA 67 CO 0.02 0.10 -0.03 -0.44 0.00 0.00 0.00 179.25 178.90 1j4a h ASP 68 N 0.71 0.00 -0.58 0.00 3.45 -0.61 -1.47 116.42 117.91 1j4a h ASP 68 Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 1j4a h ASP 68 Cb 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 1j4a h ASP 68 CO -0.12 0.03 0.00 0.59 -1.57 0.00 0.00 179.24 178.18 1j4a n ASN 69 N -3.18 4.13 0.00 6.45 3.02 0.21 -4.94 115.26 120.95 1j4a n ASN 69 Ca -0.00 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 1j4a n ASN 69 Cb 0.26 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1j4a n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4a n GLY 70 N 1.00 0.70 3.42 7.41 0.00 -0.55 -4.12 105.19 113.05 1j4a n GLY 70 Ca 0.22 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1j4a n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4a s ILE 71 N -2.00 3.87 -0.04 -0.61 -1.09 -0.03 -4.87 121.20 116.43 1j4a s ILE 71 Ca 0.00 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.14 1j4a s ILE 71 Cb 0.00 -2.76 0.08 0.00 -1.58 0.00 0.00 42.46 38.20 1j4a s ILE 71 CO 0.00 0.42 0.96 0.35 -1.23 0.00 0.00 174.94 175.44 1j4a n THR 72 N 4.45 0.63 -3.84 2.92 -2.24 -1.26 -2.34 114.28 112.60 1j4a n THR 72 Ca -0.17 -0.74 -0.29 0.00 -2.27 0.00 0.00 64.05 60.58 1j4a n THR 72 Cb 0.52 0.37 -0.16 0.00 -2.10 0.00 0.00 70.33 68.96 1j4a n THR 72 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1j4a s LYS 73 N -0.91 1.14 -0.10 -0.78 1.02 -1.26 -1.02 119.74 117.83 1j4a s LYS 73 Ca 0.09 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.28 1j4a s LYS 73 Cb 0.08 -2.35 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1j4a s LYS 73 CO 0.01 -0.67 -0.12 1.41 -0.92 0.00 0.00 175.35 175.06 1j4a s MET 74 N 1.58 1.85 -0.22 1.68 1.75 -0.59 -0.33 119.30 125.02 1j4a s MET 74 Ca -0.02 -0.42 0.01 0.00 -1.25 0.00 0.00 55.69 54.02 1j4a s MET 74 Cb -0.18 -1.66 0.05 0.00 2.84 0.00 0.00 34.83 35.88 1j4a s MET 74 CO -0.09 -0.11 -0.09 -1.12 -0.65 0.00 0.00 175.02 172.95 1j4a s SER 75 N 1.14 3.77 0.24 1.11 0.01 0.01 -1.10 113.70 118.88 1j4a s SER 75 Ca -0.05 -1.09 -0.25 0.00 1.31 0.00 0.00 55.95 55.87 1j4a s SER 75 Cb -0.14 -1.30 -0.09 0.00 0.21 0.00 0.00 66.02 64.70 1j4a s SER 75 CO -0.03 -0.18 0.85 -0.76 0.41 0.00 0.00 173.24 173.54 1j4a s LEU 76 N 1.32 4.48 0.16 2.44 1.02 0.62 -0.83 118.68 127.89 1j4a s LEU 76 Ca -0.04 1.73 0.25 0.00 0.02 0.00 0.00 54.13 56.08 1j4a s LEU 76 Cb -0.18 -3.65 0.46 0.00 0.02 0.00 0.00 46.19 42.85 1j4a s LEU 76 CO -0.07 0.08 1.45 0.03 0.02 0.00 0.00 176.35 177.86 1j4a h ARG 77 N 3.74 0.00 0.00 1.70 3.08 -1.41 -3.28 114.38 118.20 1j4a h ARG 77 Ca -0.47 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.38 1j4a h ARG 77 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1j4a h ARG 77 CO 0.66 0.00 -0.05 0.27 -1.07 0.00 0.00 179.97 179.78 1j4a n ASN 78 N -2.23 1.06 -0.11 7.04 6.94 -1.26 -4.48 115.26 122.23 1j4a n ASN 78 Ca 0.04 -1.64 -0.21 0.00 -0.02 0.00 0.00 54.58 52.75 1j4a n ASN 78 Cb 0.45 -0.12 -0.10 0.00 -2.36 0.00 0.00 39.78 37.65 1j4a n ASN 78 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1j4a n VAL 79 N -1.35 1.52 -1.90 3.53 0.31 -1.26 -1.31 118.33 117.87 1j4a n VAL 79 Ca 0.04 -0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 63.90 1j4a n VAL 79 Cb 0.24 -2.07 -0.02 0.00 -0.91 0.00 0.00 33.84 31.08 1j4a n VAL 79 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1j4a s GLY 80 N -4.91 2.38 -0.07 2.92 0.00 -1.26 -4.79 107.32 101.58 1j4a s GLY 80 Ca -0.29 1.45 0.10 0.00 0.00 0.00 0.00 44.72 45.98 1j4a s GLY 80 CO 0.52 2.36 1.04 3.33 0.00 0.00 0.00 173.10 180.34 1j4a n VAL 81 N 1.89 1.25 0.91 1.40 0.24 -1.26 -4.73 118.33 118.03 1j4a n VAL 81 Ca 0.06 -1.45 0.13 0.00 -2.04 0.00 0.00 64.34 61.04 1j4a n VAL 81 Cb 0.39 0.15 0.56 0.00 -1.47 0.00 0.00 33.84 33.48 1j4a n VAL 81 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1j4a n ASP 82 N -0.88 0.00 -1.91 -1.34 8.00 -1.26 -3.26 116.55 115.90 1j4a n ASP 82 Ca 0.08 0.50 -0.14 0.00 0.71 0.00 0.00 54.79 55.94 1j4a n ASP 82 Cb 0.53 -0.50 0.22 0.00 -0.02 0.00 0.00 41.12 41.35 1j4a n ASP 82 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1j4a n ASN 83 N -1.50 3.80 -4.36 -2.24 6.94 -1.26 -4.92 115.26 111.72 1j4a n ASN 83 Ca 0.06 -3.52 -0.32 0.00 -0.02 0.00 0.00 54.58 50.78 1j4a n ASN 83 Cb 0.31 -0.76 -0.15 0.00 -2.36 0.00 0.00 39.78 36.82 1j4a n ASN 83 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1j4a s ILE 84 N -3.19 2.76 -1.09 1.53 1.01 -1.20 -0.85 121.20 120.16 1j4a s ILE 84 Ca 0.54 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 60.18 1j4a s ILE 84 Cb 0.45 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 40.87 1j4a s ILE 84 CO 0.09 0.55 1.55 -0.62 0.00 0.00 0.00 174.94 176.51 1j4a s ASP 85 N 0.00 6.52 0.28 3.58 3.68 -0.79 -4.82 116.67 125.12 1j4a s ASP 85 Ca -0.05 -1.68 0.01 0.00 2.13 0.00 0.00 52.55 52.96 1j4a s ASP 85 Cb -0.15 -2.57 0.41 0.00 -1.45 0.00 0.00 42.92 39.17 1j4a s ASP 85 CO 0.05 -1.49 1.75 0.24 0.13 0.00 0.00 175.17 175.85 1j4a h MET 86 N 9.27 0.57 -0.77 4.34 2.86 -1.90 -1.39 114.93 127.92 1j4a h MET 86 Ca 0.26 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1j4a h MET 86 Cb 0.97 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 1j4a h MET 86 CO 1.43 0.71 0.33 0.00 1.06 0.00 0.00 176.91 180.43 1j4a h ALA 87 N 1.32 1.00 -0.23 6.32 0.00 -1.88 -0.98 119.26 124.81 1j4a h ALA 87 Ca 0.09 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1j4a h ALA 87 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1j4a h ALA 87 CO 0.04 0.61 -0.52 -0.22 0.00 0.00 0.00 179.25 179.15 1j4a h LYS 88 N 1.11 0.65 -0.14 0.00 1.63 -1.91 -1.94 116.57 115.97 1j4a h LYS 88 Ca 0.26 -0.40 -0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1j4a h LYS 88 Cb 0.19 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1j4a h LYS 88 CO -0.02 1.01 0.07 0.00 -3.45 0.00 0.00 179.45 177.06 1j4a h ALA 89 N 0.91 0.18 -0.44 5.00 0.00 -0.96 0.54 119.26 124.50 1j4a h ALA 89 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1j4a h ALA 89 Cb 1.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1j4a h ALA 89 CO 0.10 -0.27 0.27 -0.22 0.00 0.00 0.00 179.25 179.13 1j4a h LYS 90 N 0.12 0.52 -0.67 0.00 3.64 -1.17 -0.41 116.57 118.60 1j4a h LYS 90 Ca 0.05 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1j4a h LYS 90 Cb 0.09 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1j4a h LYS 90 CO -0.01 0.34 0.38 1.49 -2.27 0.00 0.00 179.45 179.39 1j4a h GLU 91 N 0.54 0.70 -0.02 1.90 4.81 -0.91 -1.04 114.58 120.54 1j4a h GLU 91 Ca 0.17 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1j4a h GLU 91 Cb 0.00 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1j4a h GLU 91 CO -0.07 0.46 0.00 1.28 -0.73 0.00 0.00 179.01 179.95 1j4a n LEU 92 N -4.76 0.17 -0.74 1.64 4.77 0.14 -4.90 117.00 113.32 1j4a n LEU 92 Ca 0.08 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1j4a n LEU 92 Cb 0.15 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1j4a n LEU 92 CO 0.30 0.04 -0.09 0.61 -1.33 0.00 0.00 177.39 176.92 1j4a n GLY 93 N 0.79 0.69 3.76 -0.72 0.00 -0.40 -4.99 105.19 104.32 1j4a n GLY 93 Ca 0.12 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1j4a n GLY 93 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j4a s PHE 94 N -2.34 2.64 -0.16 1.61 0.08 -0.23 -4.98 117.98 114.60 1j4a s PHE 94 Ca 0.00 1.40 -0.01 0.00 0.12 0.00 0.00 56.93 58.44 1j4a s PHE 94 Cb 0.00 -3.70 -0.01 0.00 -0.57 0.00 0.00 43.02 38.75 1j4a s PHE 94 CO 0.00 -2.33 -0.12 -0.65 -0.10 0.00 0.00 175.22 172.01 1j4a s GLN 95 N -2.50 3.30 -0.01 0.44 -0.21 -0.19 -4.83 119.66 115.66 1j4a s GLN 95 Ca 0.62 -0.70 0.05 0.00 0.02 0.00 0.00 55.36 55.34 1j4a s GLN 95 Cb -0.38 -2.71 -0.01 0.00 1.00 0.00 0.00 33.01 30.91 1j4a s GLN 95 CO 0.48 0.03 -0.15 0.42 -2.12 0.00 0.00 175.29 173.95 1j4a s ILE 96 N 0.82 1.17 0.27 1.08 1.01 -1.26 -1.54 121.20 122.75 1j4a s ILE 96 Ca -0.04 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 59.98 1j4a s ILE 96 Cb -0.15 -0.98 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 1j4a s ILE 96 CO 0.00 0.30 0.01 0.42 0.00 0.00 0.00 174.94 175.67 1j4a s THR 97 N -0.39 1.21 0.01 2.92 -4.23 -0.25 -1.08 115.64 113.82 1j4a s THR 97 Ca 0.05 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1j4a s THR 97 Cb -0.06 -2.53 -0.00 0.00 1.34 0.00 0.00 72.50 71.25 1j4a s THR 97 CO -0.00 -0.20 0.01 -0.46 -0.54 0.00 0.00 174.62 173.43 1j4a n ASN 98 N -0.55 -0.04 -3.66 3.99 6.94 -1.05 -0.28 115.26 120.61 1j4a n ASN 98 Ca -0.04 -1.09 -0.29 0.00 -0.02 0.00 0.00 54.58 53.14 1j4a n ASN 98 Cb 0.65 0.08 -0.13 0.00 -2.36 0.00 0.00 39.78 38.02 1j4a n ASN 98 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1j4a s VAL 99 N -2.14 1.18 -0.06 3.53 1.01 -0.43 -4.74 120.40 118.76 1j4a s VAL 99 Ca 0.02 -2.44 0.20 0.00 0.00 0.00 0.00 61.98 59.76 1j4a s VAL 99 Cb 0.00 -1.83 0.18 0.00 0.00 0.00 0.00 36.38 34.73 1j4a s VAL 99 CO 0.01 -0.92 1.64 1.55 0.00 0.00 0.00 175.10 177.38 1j4a h PRO 100 N 6.73 0.00 -4.49 2.72 0.13 -1.91 -3.36 132.00 131.82 1j4a h PRO 100 Ca 0.01 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.64 1j4a h PRO 100 Cb 0.93 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.73 1j4a h PRO 100 CO 0.45 0.31 -0.81 0.08 -0.23 0.00 0.00 178.00 177.80 1j4a s VAL 101 N -3.31 1.07 0.00 1.56 1.01 -1.26 -5.01 120.40 114.46 1j4a s VAL 101 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1j4a s VAL 101 Cb 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1j4a s VAL 101 CO 0.69 0.34 0.00 0.00 0.00 0.00 0.00 175.10 176.13 1j4a n TYR 102 N 3.84 0.00 0.00 5.22 4.11 -1.26 -4.92 117.16 124.15 1j4a n TYR 102 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.67 1j4a n TYR 102 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1j4a n TYR 102 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1j4a n SER 103 N -0.41 0.00 -0.18 9.48 2.88 -1.26 -4.32 113.62 119.80 1j4a n SER 103 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1j4a n SER 103 Cb 0.00 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 63.74 1j4a n SER 103 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1j4a h PRO 104 N 0.00 0.91 -0.80 -1.46 0.13 -1.98 -2.85 132.00 125.95 1j4a h PRO 104 Ca 0.00 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1j4a h PRO 104 Cb 0.00 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 30.88 1j4a h PRO 104 CO 0.00 0.60 0.53 -0.91 -0.23 0.00 0.00 178.00 177.99 1j4a h ASN 105 N 0.94 0.88 -0.41 1.44 4.21 -1.93 -0.98 115.58 119.73 1j4a h ASN 105 Ca 0.26 -0.02 0.08 0.00 1.21 0.00 0.00 56.30 57.84 1j4a h ASN 105 Cb -0.08 -0.21 -0.09 0.00 -1.12 0.00 0.00 38.32 36.81 1j4a h ASN 105 CO -0.06 0.62 -0.27 0.00 -1.29 0.00 0.00 177.43 176.43 1j4a h ALA 106 N 1.52 -0.05 -0.05 -0.83 0.00 -1.78 0.19 119.26 118.26 1j4a h ALA 106 Ca 0.31 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 1j4a h ALA 106 Cb -0.04 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1j4a h ALA 106 CO -0.08 -0.65 -0.21 0.82 0.00 0.00 0.00 179.25 179.13 1j4a h ILE 107 N -0.20 1.45 -0.87 0.00 2.04 -1.50 -2.80 117.51 115.64 1j4a h ILE 107 Ca 0.19 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 1j4a h ILE 107 Cb 0.50 2.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.91 1j4a h ILE 107 CO -0.53 0.46 0.46 0.00 0.00 0.00 0.00 178.15 178.54 1j4a h ALA 108 N 0.42 1.17 -0.38 1.87 0.00 -1.08 -2.10 119.26 119.16 1j4a h ALA 108 Ca -0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1j4a h ALA 108 Cb 0.85 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1j4a h ALA 108 CO 0.04 0.65 -0.13 0.93 0.00 0.00 0.00 179.25 180.75 1j4a h GLU 109 N 1.22 0.67 -0.27 0.00 5.08 -0.69 -1.35 114.58 119.24 1j4a h GLU 109 Ca 0.30 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1j4a h GLU 109 Cb 0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1j4a h GLU 109 CO -0.05 0.78 0.02 1.25 -1.00 0.00 0.00 179.01 180.01 1j4a h HIS 110 N 0.61 0.51 -0.59 4.33 2.76 -1.18 0.72 115.15 122.31 1j4a h HIS 110 Ca 0.10 -0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1j4a h HIS 110 Cb 0.57 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.35 1j4a h HIS 110 CO 0.03 0.60 0.30 0.00 -1.30 0.00 0.00 177.93 177.55 1j4a h ALA 111 N 0.84 0.77 -0.35 5.26 0.00 -1.17 -0.24 119.26 124.37 1j4a h ALA 111 Ca 0.08 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1j4a h ALA 111 Cb 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1j4a h ALA 111 CO 0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 179.25 179.12 1j4a h ALA 112 N 1.33 0.48 -0.41 0.00 0.00 -0.91 -1.13 119.26 118.61 1j4a h ALA 112 Ca 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1j4a h ALA 112 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1j4a h ALA 112 CO -0.19 0.32 0.15 0.82 0.00 0.00 0.00 179.25 180.35 1j4a h ILE 113 N 0.45 1.21 -0.46 0.00 2.04 -0.70 -1.48 117.51 118.57 1j4a h ILE 113 Ca 0.09 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 1j4a h ILE 113 Cb 0.59 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1j4a h ILE 113 CO 0.03 0.24 0.01 1.56 0.00 0.00 0.00 178.15 179.99 1j4a h GLN 114 N 0.53 0.80 -0.13 2.37 1.08 -0.92 -1.49 115.11 117.35 1j4a h GLN 114 Ca 0.14 -0.25 0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1j4a h GLN 114 Cb 0.22 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1j4a h GLN 114 CO -0.01 0.85 -0.07 0.00 -0.95 0.00 0.00 178.83 178.65 1j4a h ALA 115 N 0.92 0.03 -0.97 3.87 0.00 -1.07 -0.78 119.26 121.26 1j4a h ALA 115 Ca 0.13 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1j4a h ALA 115 Cb 0.48 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1j4a h ALA 115 CO 0.02 -0.52 0.63 0.00 0.00 0.00 0.00 179.25 179.38 1j4a h ALA 116 N 1.04 1.29 -0.29 0.00 0.00 -1.07 -1.71 119.26 118.52 1j4a h ALA 116 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1j4a h ALA 116 Cb 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1j4a h ALA 116 CO -0.17 0.52 0.01 0.00 0.00 0.00 0.00 179.25 179.61 1j4a h ARG 117 N 1.22 0.51 -0.45 0.00 3.08 -0.93 -0.96 114.38 116.86 1j4a h ARG 117 Ca 0.39 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 1j4a h ARG 117 Cb 0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1j4a h ARG 117 CO -0.13 0.65 0.21 0.82 -1.07 0.00 0.00 179.97 180.45 1j4a h ILE 118 N 0.31 1.19 -0.85 2.04 1.08 -0.93 -2.16 117.51 118.20 1j4a h ILE 118 Ca 0.08 -0.55 0.08 0.00 -0.39 0.00 0.00 64.86 64.09 1j4a h ILE 118 Cb 0.41 0.71 -0.07 0.00 -3.07 0.00 0.00 36.82 34.81 1j4a h ILE 118 CO 0.01 0.21 0.51 -0.07 -0.69 0.00 0.00 178.15 178.12 1j4a h LEU 119 N 0.59 0.77 -0.76 1.44 3.38 -1.15 -2.27 115.31 117.31 1j4a h LEU 119 Ca 0.15 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1j4a h LEU 119 Cb 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1j4a h LEU 119 CO -0.02 0.47 0.00 -0.09 0.09 0.00 0.00 178.44 178.89 1j4a h ARG 120 N 0.89 0.00 -4.46 1.13 9.65 -0.89 -0.50 114.38 120.19 1j4a h ARG 120 Ca 0.39 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.92 1j4a h ARG 120 Cb 0.27 0.00 0.08 0.00 -1.39 0.00 0.00 29.97 28.93 1j4a h ARG 120 CO -0.21 0.00 -0.55 1.04 2.80 0.00 0.00 179.97 183.05 1j4a n GLN 121 N -2.73 -5.38 -0.28 0.20 6.02 -0.86 -4.01 117.38 110.35 1j4a n GLN 121 Ca 0.02 0.76 -0.06 0.00 -0.01 0.00 0.00 57.00 57.72 1j4a n GLN 121 Cb 0.34 -5.42 0.06 0.00 1.02 0.00 0.00 30.24 26.25 1j4a n GLN 121 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1j4a h ASP 122 N -1.69 1.04 -0.41 1.08 3.32 -1.67 -2.14 116.42 115.95 1j4a h ASP 122 Ca -0.48 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.34 1j4a h ASP 122 Cb 1.32 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1j4a h ASP 122 CO 0.49 0.90 -0.03 0.50 -1.72 0.00 0.00 179.24 179.39 1j4a h LYS 123 N 1.11 0.82 -0.53 3.56 3.64 -1.80 0.77 116.57 124.13 1j4a h LYS 123 Ca 0.26 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1j4a h LYS 123 Cb 0.16 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1j4a h LYS 123 CO -0.03 0.84 -0.05 0.00 -2.27 0.00 0.00 179.45 177.93 1j4a h ALA 124 N 1.21 0.90 -0.24 5.00 0.00 -1.59 -0.57 119.26 123.98 1j4a h ALA 124 Ca 0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1j4a h ALA 124 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1j4a h ALA 124 CO 0.02 0.64 -0.02 1.98 0.00 0.00 0.00 179.25 181.88 1j4a h MET 125 N 0.86 0.43 -0.77 0.00 1.85 -1.17 -2.46 114.93 113.67 1j4a h MET 125 Ca 0.15 -0.14 0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1j4a h MET 125 Cb 0.58 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.53 1j4a h MET 125 CO 0.04 0.62 0.50 -0.44 -0.40 0.00 0.00 176.91 177.23 1j4a h ASP 126 N 0.19 0.84 -0.69 1.39 3.32 -0.70 0.17 116.42 120.93 1j4a h ASP 126 Ca 0.06 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1j4a h ASP 126 Cb 0.44 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1j4a h ASP 126 CO 0.02 0.59 0.20 -0.33 -1.72 0.00 0.00 179.24 178.00 1j4a h GLU 127 N 0.99 1.10 -0.10 3.56 5.08 -0.99 0.07 114.58 124.29 1j4a h GLU 127 Ca 0.30 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1j4a h GLU 127 Cb -0.04 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1j4a h GLU 127 CO -0.09 0.95 0.03 0.87 -1.00 0.00 0.00 179.01 179.77 1j4a h LYS 128 N 1.05 0.15 -0.86 2.33 1.57 -0.95 -2.53 116.57 117.33 1j4a h LYS 128 Ca 0.23 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1j4a h LYS 128 Cb 0.32 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1j4a h LYS 128 CO -0.00 0.30 0.57 0.28 -0.57 0.00 0.00 179.45 180.03 1j4a h VAL 129 N -0.03 1.21 -0.33 0.50 2.07 -0.90 -0.32 116.25 118.46 1j4a h VAL 129 Ca 0.03 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1j4a h VAL 129 Cb 0.21 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1j4a h VAL 129 CO -0.00 0.21 0.08 0.00 0.02 0.00 0.00 177.57 177.88 1j4a h ALA 130 N 1.32 1.54 -0.10 1.67 0.00 -0.83 -0.31 119.26 122.55 1j4a h ALA 130 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1j4a h ALA 130 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1j4a h ALA 130 CO -0.07 0.35 0.00 0.54 0.00 0.00 0.00 179.25 180.06 1j4a n ARG 131 N -4.36 1.54 -0.99 0.00 1.74 -0.56 -4.93 116.66 109.11 1j4a n ARG 131 Ca 0.02 -0.80 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 1j4a n ARG 131 Cb 0.17 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1j4a n ARG 131 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1j4a n HIS 132 N 0.01 0.00 -3.00 -1.55 8.25 -0.13 -4.99 115.22 113.81 1j4a n HIS 132 Ca 0.17 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.19 1j4a n HIS 132 Cb 0.27 -0.38 -0.04 0.00 1.12 0.00 0.00 29.99 30.97 1j4a n HIS 132 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1j4a s ASP 133 N -2.75 6.27 -0.15 0.41 2.15 -0.24 -4.89 116.67 117.47 1j4a s ASP 133 Ca 0.00 -1.43 0.11 0.00 0.43 0.00 0.00 52.55 51.66 1j4a s ASP 133 Cb 0.00 -2.35 0.58 0.00 -0.30 0.00 0.00 42.92 40.85 1j4a s ASP 133 CO 0.00 -1.20 1.40 0.18 -0.17 0.00 0.00 175.17 175.38 1j4a n LEU 134 N 6.76 4.26 -4.71 -1.34 4.77 -1.26 -3.20 117.00 122.27 1j4a n LEU 134 Ca -0.01 -2.16 -0.42 0.00 -0.03 0.00 0.00 56.01 53.39 1j4a n LEU 134 Cb 0.45 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1j4a n LEU 134 CO 0.58 0.55 0.69 -0.13 -1.33 0.00 0.00 177.39 177.74 1j4a s ARG 135 N -2.16 4.57 0.01 3.23 0.52 -1.26 -4.97 118.95 118.89 1j4a s ARG 135 Ca 0.39 1.44 -0.18 0.00 -0.52 0.00 0.00 55.73 56.86 1j4a s ARG 135 Cb 0.29 -3.44 -0.27 0.00 0.52 0.00 0.00 34.95 32.05 1j4a s ARG 135 CO 0.13 -0.02 1.06 0.11 0.02 0.00 0.00 175.30 176.60 1j4a h TRP 136 N 6.63 0.74 -4.07 -0.53 5.08 -1.97 -3.45 115.95 118.38 1j4a h TRP 136 Ca -0.41 -0.45 -0.51 0.00 1.08 0.00 0.00 58.89 58.60 1j4a h TRP 136 Cb 1.22 -0.07 0.08 0.00 -3.00 0.00 0.00 29.16 27.39 1j4a h TRP 136 CO 0.67 1.30 0.45 0.00 -1.28 0.00 0.00 178.44 179.58 1j4a s ALA 137 N -2.98 2.74 -0.34 0.11 0.00 -1.26 -1.63 121.76 118.40 1j4a s ALA 137 Ca -0.12 0.89 0.10 0.00 0.00 0.00 0.00 51.96 52.83 1j4a s ALA 137 Cb 0.04 -3.38 0.71 0.00 0.00 0.00 0.00 23.12 20.49 1j4a s ALA 137 CO 0.86 -0.81 1.68 -0.35 0.00 0.00 0.00 175.76 177.14 1j4a n PRO 138 N -1.16 3.99 -1.46 0.00 -0.04 -1.26 -5.04 135.00 130.03 1j4a n PRO 138 Ca 0.11 -2.82 -0.40 0.00 -0.04 0.00 0.00 63.50 60.35 1j4a n PRO 138 Cb 0.50 -2.17 -0.02 0.00 -0.04 0.00 0.00 33.50 31.77 1j4a n PRO 138 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1j4a n THR 139 N 0.21 3.87 -2.62 0.52 -1.04 -0.64 -4.95 114.28 109.62 1j4a n THR 139 Ca 0.32 -2.69 -0.39 0.00 -2.04 0.00 0.00 64.05 59.24 1j4a n THR 139 Cb 1.21 -2.59 -0.05 0.00 -1.82 0.00 0.00 70.33 67.08 1j4a n THR 139 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1j4a s ILE 140 N 2.68 3.81 0.32 12.58 2.07 -1.26 -4.92 121.20 136.48 1j4a s ILE 140 Ca 0.60 1.72 -0.06 0.00 -1.41 0.00 0.00 60.65 61.50 1j4a s ILE 140 Cb 0.16 -4.05 -0.05 0.00 0.13 0.00 0.00 42.46 38.64 1j4a s ILE 140 CO -0.07 0.33 0.60 -0.83 -1.91 0.00 0.00 174.94 173.06 1j4a s GLY 141 N -1.17 1.83 -0.22 1.50 0.00 -1.26 -4.69 107.32 103.32 1j4a s GLY 141 Ca 0.46 -0.52 -0.06 0.00 0.00 0.00 0.00 44.72 44.60 1j4a s GLY 141 CO 0.34 -0.39 0.02 0.50 0.00 0.00 0.00 173.10 173.56 1j4a s ARG 142 N -3.69 3.60 0.42 2.90 0.52 -0.20 -4.96 118.95 117.55 1j4a s ARG 142 Ca 0.45 -0.52 -0.25 0.00 -0.52 0.00 0.00 55.73 54.90 1j4a s ARG 142 Cb -0.11 -3.16 -0.08 0.00 0.52 0.00 0.00 34.95 32.12 1j4a s ARG 142 CO 0.31 -0.09 1.22 -1.21 0.02 0.00 0.00 175.30 175.56 1j4a s GLU 143 N 1.28 3.93 0.29 3.54 2.02 -1.26 -4.08 118.70 124.42 1j4a s GLU 143 Ca 0.04 1.95 -0.02 0.00 0.02 0.00 0.00 54.97 56.97 1j4a s GLU 143 Cb -0.15 -2.64 0.42 0.00 0.10 0.00 0.00 34.13 31.86 1j4a s GLU 143 CO 0.02 -0.46 1.91 0.28 0.02 0.00 0.00 175.26 177.03 1j4a h VAL 144 N 2.26 1.22 0.00 2.63 2.07 -1.93 -2.14 116.25 120.35 1j4a h VAL 144 Ca -0.49 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1j4a h VAL 144 Cb 1.24 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1j4a h VAL 144 CO 0.62 0.25 0.00 -2.11 0.02 0.00 0.00 177.57 176.34 1j4a n ARG 145 N -4.35 0.17 0.00 1.57 1.85 -1.26 -1.50 116.66 113.13 1j4a n ARG 145 Ca 0.07 0.49 0.13 0.00 -1.00 0.00 0.00 57.85 57.54 1j4a n ARG 145 Cb 0.11 -1.88 0.43 0.00 -1.05 0.00 0.00 32.46 30.07 1j4a n ARG 145 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1j4a n ASP 146 N -2.21 0.76 -4.93 2.89 8.00 -0.80 -4.18 116.55 116.07 1j4a n ASP 146 Ca 0.01 -0.66 -0.26 0.00 0.71 0.00 0.00 54.79 54.59 1j4a n ASP 146 Cb 0.16 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1j4a n ASP 146 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1j4a s GLN 147 N -2.58 3.50 -0.27 -1.24 -1.52 -0.56 -5.00 119.66 111.98 1j4a s GLN 147 Ca 0.23 -0.40 -0.17 0.00 -1.95 0.00 0.00 55.36 53.07 1j4a s GLN 147 Cb 0.19 -2.84 -0.03 0.00 -0.22 0.00 0.00 33.01 30.12 1j4a s GLN 147 CO 0.53 0.39 0.47 0.08 -0.25 0.00 0.00 175.29 176.51 1j4a s VAL 148 N -1.92 5.09 -0.25 1.09 1.01 -1.26 -2.22 120.40 121.94 1j4a s VAL 148 Ca 0.38 0.73 -0.07 0.00 0.00 0.00 0.00 61.98 63.02 1j4a s VAL 148 Cb -0.11 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1j4a s VAL 148 CO 0.30 0.07 0.07 -0.69 0.00 0.00 0.00 175.10 174.85 1j4a s VAL 149 N 2.25 4.23 -0.26 2.92 1.01 0.52 -0.69 120.40 130.39 1j4a s VAL 149 Ca 0.19 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 1j4a s VAL 149 Cb -0.16 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1j4a s VAL 149 CO 0.10 0.32 0.15 -0.83 0.00 0.00 0.00 175.10 174.84 1j4a s GLY 150 N 1.60 1.92 -0.33 4.51 0.00 0.13 -0.49 107.32 114.66 1j4a s GLY 150 Ca 0.06 -1.01 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 1j4a s GLY 150 CO 0.03 0.51 0.15 0.14 0.00 0.00 0.00 173.10 173.93 1j4a s VAL 151 N 1.41 4.39 -0.58 1.40 1.01 0.05 -1.97 120.40 126.11 1j4a s VAL 151 Ca 0.07 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1j4a s VAL 151 Cb -0.15 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 32.99 1j4a s VAL 151 CO 0.07 -0.04 0.73 -0.69 0.00 0.00 0.00 175.10 175.17 1j4a s VAL 152 N 1.55 4.74 0.00 2.92 1.01 -0.62 -1.32 120.40 128.69 1j4a s VAL 152 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1j4a s VAL 152 Cb -0.18 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1j4a s VAL 152 CO 0.05 -1.10 0.00 0.61 0.00 0.00 0.00 175.10 174.66 1j4a n GLY 153 N 5.26 2.05 2.26 4.51 0.00 0.64 -0.11 105.19 119.80 1j4a n GLY 153 Ca -0.07 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.50 1j4a n GLY 153 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j4a n THR 154 N 2.07 2.43 -0.26 2.61 -2.24 -1.26 -4.28 114.28 113.35 1j4a n THR 154 Ca 0.00 -4.57 0.00 0.00 -2.27 0.00 0.00 64.05 57.21 1j4a n THR 154 Cb 0.00 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1j4a n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j4a n GLY 155 N -0.59 -0.66 0.15 3.38 0.00 -1.26 -4.65 105.19 101.56 1j4a n GLY 155 Ca 0.41 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 1j4a n GLY 155 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1j4a h HIS 156 N -0.15 0.42 -0.16 1.61 -0.00 -1.95 -2.00 115.15 112.91 1j4a h HIS 156 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 1j4a h HIS 156 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 1j4a h HIS 156 CO 0.00 0.36 0.07 0.82 -0.00 0.00 0.00 177.93 179.18 1j4a h ILE 157 N 0.36 1.15 -0.90 2.45 2.04 -1.93 -2.43 117.51 118.24 1j4a h ILE 157 Ca 0.10 -0.47 0.11 0.00 1.00 0.00 0.00 64.86 65.61 1j4a h ILE 157 Cb 0.09 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.25 1j4a h ILE 157 CO -0.02 0.15 0.53 1.23 0.00 0.00 0.00 178.15 180.05 1j4a h GLY 158 N 0.11 1.45 1.52 5.37 0.00 -1.72 -1.58 103.07 108.22 1j4a h GLY 158 Ca 0.05 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 1j4a h GLY 158 CO -0.00 0.12 -0.35 1.46 0.00 0.00 0.00 176.54 177.76 1j4a h GLN 159 N 0.85 0.54 -0.56 4.80 4.20 -1.23 -0.35 115.11 123.36 1j4a h GLN 159 Ca 0.45 -0.25 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 1j4a h GLN 159 Cb 0.46 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1j4a h GLN 159 CO -0.27 0.82 -0.06 0.28 -0.67 0.00 0.00 178.83 178.93 1j4a h VAL 160 N 0.46 1.26 -0.78 -0.54 2.07 -0.92 -1.97 116.25 115.84 1j4a h VAL 160 Ca 0.05 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 1j4a h VAL 160 Cb 0.83 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1j4a h VAL 160 CO 0.07 0.43 0.27 0.15 0.02 0.00 0.00 177.57 178.51 1j4a h PHE 161 N 0.92 1.22 -0.73 1.57 3.04 -0.94 -0.34 116.94 121.66 1j4a h PHE 161 Ca 0.15 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1j4a h PHE 161 Cb 0.61 -0.36 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 1j4a h PHE 161 CO 0.04 0.94 0.46 0.52 -2.02 0.00 0.00 178.31 178.25 1j4a h MET 162 N 1.14 0.99 -0.58 1.11 2.86 -0.80 -1.22 114.93 118.43 1j4a h MET 162 Ca 0.25 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1j4a h MET 162 Cb 0.27 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1j4a h MET 162 CO -0.01 0.68 0.18 0.37 1.06 0.00 0.00 176.91 179.19 1j4a h GLN 163 N 1.00 0.90 -0.12 1.72 4.15 -0.53 -0.61 115.11 121.62 1j4a h GLN 163 Ca 0.27 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1j4a h GLN 163 Cb -0.06 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 1j4a h GLN 163 CO -0.05 0.81 0.01 0.82 -1.93 0.00 0.00 178.83 178.48 1j4a h ILE 164 N 0.82 1.24 -0.62 2.39 2.04 -0.73 -1.52 117.51 121.13 1j4a h ILE 164 Ca 0.19 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1j4a h ILE 164 Cb 0.29 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1j4a h ILE 164 CO -0.01 0.22 0.23 0.24 0.00 0.00 0.00 178.15 178.84 1j4a h MET 165 N -0.05 0.91 -0.15 2.37 2.86 -1.14 -2.13 114.93 117.60 1j4a h MET 165 Ca 0.03 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 1j4a h MET 165 Cb 0.34 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1j4a h MET 165 CO 0.00 0.75 -0.31 0.93 1.06 0.00 0.00 176.91 179.35 1j4a h GLU 166 N 0.89 0.29 0.00 1.72 5.08 -0.99 -2.40 114.58 119.17 1j4a h GLU 166 Ca 0.21 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1j4a h GLU 166 Cb 0.20 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1j4a h GLU 166 CO -0.02 0.57 -0.17 0.78 -1.00 0.00 0.00 179.01 179.18 1j4a h GLY 167 N 1.06 0.00 2.00 -3.84 0.00 -0.61 0.59 103.07 102.27 1j4a h GLY 167 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1j4a h GLY 167 CO 0.05 0.00 -0.24 0.74 0.00 0.00 0.00 176.54 177.09 1j4a h PHE 168 N 0.00 0.00 0.00 5.60 0.04 -1.09 -3.47 116.94 118.02 1j4a h PHE 168 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1j4a h PHE 168 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1j4a h PHE 168 CO 0.00 0.24 0.00 0.41 -0.60 0.00 0.00 178.31 178.36 1j4a n GLY 169 N 0.66 0.84 3.74 -1.45 0.00 0.20 -4.21 105.19 104.96 1j4a n GLY 169 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1j4a n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4a s ALA 170 N -2.00 2.16 -0.15 4.61 0.00 -1.07 -4.73 121.76 120.58 1j4a s ALA 170 Ca 0.00 0.56 -0.25 0.00 0.00 0.00 0.00 51.96 52.28 1j4a s ALA 170 Cb 0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1j4a s ALA 170 CO 0.00 -1.81 0.79 0.21 0.00 0.00 0.00 175.76 174.96 1j4a s LYS 171 N -4.36 4.33 -0.18 0.00 2.20 -0.94 -4.47 119.74 116.33 1j4a s LYS 171 Ca 0.67 0.97 -0.05 0.00 -0.36 0.00 0.00 55.97 57.20 1j4a s LYS 171 Cb -0.22 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 1j4a s LYS 171 CO 0.49 -0.23 -0.00 0.08 -0.36 0.00 0.00 175.35 175.32 1j4a s VAL 172 N 1.82 4.10 0.20 4.02 1.01 -1.26 -0.35 120.40 129.93 1j4a s VAL 172 Ca 0.38 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.18 1j4a s VAL 172 Cb -0.17 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1j4a s VAL 172 CO 0.14 0.46 -0.19 0.27 0.00 0.00 0.00 175.10 175.78 1j4a s ILE 173 N 0.57 2.06 0.12 2.22 -4.36 0.36 -4.86 121.20 117.30 1j4a s ILE 173 Ca -0.01 -2.08 -0.04 0.00 -0.26 0.00 0.00 60.65 58.26 1j4a s ILE 173 Cb -0.14 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 1j4a s ILE 173 CO 0.02 -0.32 0.12 -0.89 0.24 0.00 0.00 174.94 174.10 1j4a s THR 174 N -2.18 0.12 -0.06 8.37 2.01 -0.36 -0.77 115.64 122.78 1j4a s THR 174 Ca 0.21 -1.66 -0.02 0.00 0.31 0.00 0.00 61.69 60.53 1j4a s THR 174 Cb -0.05 -1.79 0.04 0.00 0.01 0.00 0.00 72.50 70.70 1j4a s THR 174 CO 0.09 -0.55 0.12 -0.47 -0.69 0.00 0.00 174.62 173.12 1j4a s TYR 175 N -3.98 -0.12 -0.12 4.92 5.04 -0.43 -1.58 117.35 121.09 1j4a s TYR 175 Ca 0.16 0.42 -0.12 0.00 -2.44 0.00 0.00 57.07 55.09 1j4a s TYR 175 Cb 0.06 -0.14 0.03 0.00 0.35 0.00 0.00 41.96 42.26 1j4a s TYR 175 CO -0.03 -0.16 0.34 0.34 -1.34 0.00 0.00 175.55 174.70 1j4a s ASP 176 N 1.28 -0.34 0.39 4.32 -1.08 -1.26 -0.26 116.67 119.72 1j4a s ASP 176 Ca -0.08 0.64 0.15 0.00 -0.52 0.00 0.00 52.55 52.74 1j4a s ASP 176 Cb -0.12 0.66 0.78 0.00 -1.46 0.00 0.00 42.92 42.79 1j4a s ASP 176 CO -0.05 -0.15 1.84 0.16 0.52 0.00 0.00 175.17 177.49 1j4a h ILE 177 N 4.54 1.16 -3.51 4.11 3.07 -2.01 -3.35 117.51 121.52 1j4a h ILE 177 Ca -0.27 -1.25 -0.68 0.00 1.55 0.00 0.00 64.86 64.21 1j4a h ILE 177 Cb 1.19 1.69 -0.36 0.00 -0.27 0.00 0.00 36.82 39.06 1j4a h ILE 177 CO 0.30 0.35 -0.42 -0.36 -1.05 0.00 0.00 178.15 176.96 1j4a s PHE 178 N -4.11 3.37 0.25 0.16 2.99 -1.26 -5.09 117.98 114.28 1j4a s PHE 178 Ca -0.02 -2.82 -0.31 0.00 0.00 0.00 0.00 56.93 53.78 1j4a s PHE 178 Cb 0.14 -3.12 -0.11 0.00 0.00 0.00 0.00 43.02 39.93 1j4a s PHE 178 CO 0.71 -0.82 1.63 1.03 -0.00 0.00 0.00 175.22 177.76 1j4a s ARG 179 N -0.11 4.14 -0.07 0.44 0.52 -1.26 -4.96 118.95 117.66 1j4a s ARG 179 Ca 0.17 2.55 -0.30 0.00 -0.52 0.00 0.00 55.73 57.63 1j4a s ARG 179 Cb -0.21 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 1j4a s ARG 179 CO -0.03 -0.66 1.32 1.21 0.02 0.00 0.00 175.30 177.16 1j4a s ASN 180 N 0.78 6.93 0.23 0.23 3.84 -1.26 -4.94 114.94 120.75 1j4a s ASN 180 Ca 0.68 1.90 -0.06 0.00 0.21 0.00 0.00 52.86 55.59 1j4a s ASN 180 Cb -0.48 -2.55 0.40 0.00 -0.55 0.00 0.00 41.25 38.07 1j4a s ASN 180 CO 0.41 -0.71 1.74 -0.65 -2.79 0.00 0.00 177.10 175.09 1j4a h PRO 181 N 7.99 0.43 -0.50 0.43 0.11 -1.99 -0.17 132.00 138.30 1j4a h PRO 181 Ca -0.33 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.66 1j4a h PRO 181 Cb 1.15 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1j4a h PRO 181 CO 0.92 0.29 -0.04 0.93 -0.21 0.00 0.00 178.00 179.88 1j4a h GLU 182 N 0.44 0.91 -0.53 1.05 4.39 -2.00 -0.44 114.58 118.41 1j4a h GLU 182 Ca 0.38 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 1j4a h GLU 182 Cb 0.54 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1j4a h GLU 182 CO -0.37 0.96 0.04 -0.07 -1.16 0.00 0.00 179.01 178.41 1j4a h LEU 183 N 0.77 0.83 0.10 1.33 3.38 -1.89 -2.04 115.31 117.79 1j4a h LEU 183 Ca 0.14 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1j4a h LEU 183 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1j4a h LEU 183 CO 0.03 0.87 -0.09 -0.08 0.09 0.00 0.00 178.44 179.27 1j4a h GLU 184 N 0.81 -0.19 -0.72 1.13 4.57 -0.65 -2.36 114.58 117.17 1j4a h GLU 184 Ca 0.16 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.48 1j4a h GLU 184 Cb 0.43 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 28.94 1j4a h GLU 184 CO 0.02 -0.13 -0.33 -0.22 -1.18 0.00 0.00 179.01 177.17 1j4a h LYS 185 N -0.20 -0.10 0.00 1.92 3.64 -0.76 -0.74 116.57 120.34 1j4a h LYS 185 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1j4a h LYS 185 Cb 0.18 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1j4a h LYS 185 CO -0.02 -0.07 0.00 1.63 -2.27 0.00 0.00 179.45 178.73 1j4a n LYS 186 N -5.45 0.40 -1.17 1.90 5.02 -0.80 -4.85 118.16 113.21 1j4a n LYS 186 Ca 0.07 0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 1j4a n LYS 186 Cb 0.37 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1j4a n LYS 186 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j4a n GLY 187 N -0.02 0.41 0.15 0.72 0.00 -0.28 -4.97 105.19 101.19 1j4a n GLY 187 Ca 0.10 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 1j4a n GLY 187 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1j4a h TYR 188 N 0.00 0.22 -3.82 1.61 0.05 -1.71 -3.46 116.97 109.85 1j4a h TYR 188 Ca -0.01 -0.10 -0.48 0.00 0.05 0.00 0.00 58.73 58.19 1j4a h TYR 188 Cb 0.19 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1j4a h TYR 188 CO 0.02 0.80 0.37 0.71 -1.05 0.00 0.00 178.16 179.00 1j4a s TYR 189 N -3.55 3.78 0.28 4.88 1.51 -1.26 -1.22 117.35 121.76 1j4a s TYR 189 Ca -0.03 1.82 0.06 0.00 -1.01 0.00 0.00 57.07 57.92 1j4a s TYR 189 Cb 0.12 -3.01 -0.03 0.00 -0.11 0.00 0.00 41.96 38.93 1j4a s TYR 189 CO 0.80 0.16 0.33 0.14 -1.11 0.00 0.00 175.55 175.86 1j4a s VAL 190 N -1.37 4.49 -0.19 0.71 -7.23 -0.61 -4.89 120.40 111.31 1j4a s VAL 190 Ca 0.46 -1.16 0.16 0.00 -1.81 0.00 0.00 61.98 59.63 1j4a s VAL 190 Cb -0.24 -3.53 0.06 0.00 0.56 0.00 0.00 36.38 33.24 1j4a s VAL 190 CO 0.30 -0.27 1.37 0.44 -0.31 0.00 0.00 175.10 176.63 1j4a h ASP 191 N 1.20 0.00 -5.11 4.85 3.32 -1.97 -3.46 116.42 115.25 1j4a h ASP 191 Ca -0.48 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 1j4a h ASP 191 Cb 1.24 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.64 1j4a h ASP 191 CO 0.59 0.44 -0.34 -0.94 -1.72 0.00 0.00 179.24 177.26 1j4a s SER 192 N -6.30 0.04 0.35 6.45 1.04 -1.26 -5.02 113.70 109.00 1j4a s SER 192 Ca 0.03 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.01 1j4a s SER 192 Cb 0.07 0.34 0.70 0.00 0.10 0.00 0.00 66.02 67.23 1j4a s SER 192 CO 0.75 -0.68 1.96 -0.07 0.98 0.00 0.00 173.24 176.18 1j4a h LEU 193 N 2.98 0.70 -1.43 2.42 3.38 -1.99 -0.38 115.31 120.99 1j4a h LEU 193 Ca -0.33 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.73 1j4a h LEU 193 Cb 1.20 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1j4a h LEU 193 CO 0.52 0.46 0.48 0.44 0.09 0.00 0.00 178.44 180.44 1j4a h ASP 194 N 0.80 0.58 -0.43 -0.43 5.19 -1.99 0.31 116.42 120.45 1j4a h ASP 194 Ca 0.31 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.60 1j4a h ASP 194 Cb 0.19 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 1j4a h ASP 194 CO -0.10 0.35 -0.23 0.44 -3.12 0.00 0.00 179.24 176.59 1j4a h ASP 195 N 0.64 0.94 -0.54 6.45 3.32 -1.49 -1.88 116.42 123.88 1j4a h ASP 195 Ca 0.33 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1j4a h ASP 195 Cb 0.45 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1j4a h ASP 195 CO -0.12 1.14 0.18 0.25 -1.72 0.00 0.00 179.24 178.98 1j4a h LEU 196 N 0.74 0.77 -0.90 1.55 6.46 -0.74 -2.01 115.31 121.19 1j4a h LEU 196 Ca 0.09 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 1j4a h LEU 196 Cb 0.80 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.49 1j4a h LEU 196 CO 0.07 0.76 0.42 1.88 -0.62 0.00 0.00 178.44 180.95 1j4a h TYR 197 N 0.74 1.21 -0.32 1.25 0.05 -0.93 -0.05 116.97 118.91 1j4a h TYR 197 Ca 0.17 -0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.80 1j4a h TYR 197 Cb 0.25 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1j4a h TYR 197 CO 0.01 0.86 -0.25 0.87 -1.05 0.00 0.00 178.16 178.61 1j4a h LYS 198 N 1.21 0.63 0.00 4.88 6.56 -1.17 -3.07 116.57 125.60 1j4a h LYS 198 Ca 0.29 -0.25 -0.25 0.00 -1.06 0.00 0.00 60.65 59.38 1j4a h LYS 198 Cb 0.09 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.68 1j4a h LYS 198 CO -0.04 0.82 -1.73 1.04 -2.06 0.00 0.00 179.45 177.48 1j4a n GLN 199 N -4.11 0.64 -3.08 3.15 6.02 -0.77 -4.71 117.38 114.53 1j4a n GLN 199 Ca -0.00 0.20 -0.39 0.00 -0.01 0.00 0.00 57.00 56.80 1j4a n GLN 199 Cb 0.43 -1.74 -0.06 0.00 1.02 0.00 0.00 30.24 29.89 1j4a n GLN 199 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j4a s ALA 200 N -2.73 3.47 -0.05 -1.58 0.00 -0.07 -4.77 121.76 116.03 1j4a s ALA 200 Ca -0.05 0.23 0.13 0.00 0.00 0.00 0.00 51.96 52.27 1j4a s ALA 200 Cb 0.08 -2.86 -0.20 0.00 0.00 0.00 0.00 23.12 20.13 1j4a s ALA 200 CO 0.82 0.26 0.75 -0.44 0.00 0.00 0.00 175.76 177.15 1j4a h ASP 201 N 4.78 0.00 -3.42 0.00 3.32 -1.25 -3.39 116.42 116.46 1j4a h ASP 201 Ca -0.47 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.07 1j4a h ASP 201 Cb 1.21 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.42 1j4a h ASP 201 CO 0.67 0.90 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.59 1j4a s VAL 202 N -2.68 1.12 -0.13 -1.35 1.01 -1.06 -0.87 120.40 116.44 1j4a s VAL 202 Ca -0.04 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1j4a s VAL 202 Cb 0.08 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1j4a s VAL 202 CO 0.82 0.35 -0.21 -0.63 0.00 0.00 0.00 175.10 175.43 1j4a s ILE 203 N 0.68 1.99 -0.09 2.22 1.01 -0.14 0.17 121.20 127.03 1j4a s ILE 203 Ca -0.14 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.58 1j4a s ILE 203 Cb -0.16 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1j4a s ILE 203 CO 0.04 0.54 -0.13 -0.55 0.00 0.00 0.00 174.94 174.83 1j4a s SER 204 N 0.81 2.15 -0.26 3.58 0.15 -0.83 -0.85 113.70 118.45 1j4a s SER 204 Ca -0.08 -0.36 -0.20 0.00 0.70 0.00 0.00 55.95 56.01 1j4a s SER 204 Cb -0.16 -0.96 -0.02 0.00 -1.71 0.00 0.00 66.02 63.18 1j4a s SER 204 CO -0.01 0.01 0.63 -0.76 1.20 0.00 0.00 173.24 174.30 1j4a s LEU 205 N 0.92 4.06 -0.35 3.45 1.43 -0.73 -1.59 118.68 125.87 1j4a s LEU 205 Ca -0.09 0.70 0.14 0.00 -1.03 0.00 0.00 54.13 53.85 1j4a s LEU 205 Cb -0.15 -2.85 0.45 0.00 0.03 0.00 0.00 46.19 43.67 1j4a s LEU 205 CO 0.00 -0.37 1.01 1.41 0.23 0.00 0.00 176.35 178.63 1j4a n HIS 206 N 5.71 1.88 -4.26 0.29 8.25 0.84 -4.09 115.22 123.85 1j4a n HIS 206 Ca -0.01 -2.85 -0.19 0.00 -0.26 0.00 0.00 57.72 54.41 1j4a n HIS 206 Cb 0.49 -0.28 -0.11 0.00 1.12 0.00 0.00 29.99 31.20 1j4a n HIS 206 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1j4a s VAL 207 N -3.92 1.45 0.79 1.59 -7.23 -1.23 -4.38 120.40 107.47 1j4a s VAL 207 Ca 0.34 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 1j4a s VAL 207 Cb 0.43 -1.55 0.06 0.00 0.56 0.00 0.00 36.38 35.88 1j4a s VAL 207 CO -0.03 -0.34 1.09 -2.16 -0.31 0.00 0.00 175.10 173.35 1j4a s PRO 208 N -2.52 2.16 0.00 4.82 0.04 -1.26 -4.63 135.00 133.61 1j4a s PRO 208 Ca 0.09 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1j4a s PRO 208 Cb -0.06 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1j4a s PRO 208 CO 0.04 -1.61 1.36 -3.47 0.04 0.00 0.00 177.00 173.36 1j4a n ASP 209 N -3.45 3.70 -4.86 6.66 4.64 -1.26 -4.80 116.55 117.17 1j4a n ASP 209 Ca 0.07 -1.96 -0.31 0.00 -1.38 0.00 0.00 54.79 51.22 1j4a n ASP 209 Cb 0.55 -0.76 0.02 0.00 -1.04 0.00 0.00 41.12 39.89 1j4a n ASP 209 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1j4a s VAL 210 N 0.44 4.57 0.25 5.18 -7.23 -1.26 -4.81 120.40 117.55 1j4a s VAL 210 Ca 0.00 0.84 -0.03 0.00 -1.81 0.00 0.00 61.98 60.97 1j4a s VAL 210 Cb 0.00 -3.78 0.25 0.00 0.56 0.00 0.00 36.38 33.41 1j4a s VAL 210 CO 0.00 -1.09 1.68 -0.65 -0.31 0.00 0.00 175.10 174.73 1j4a h PRO 211 N -0.40 0.27 0.00 4.82 0.11 -1.99 0.14 132.00 134.94 1j4a h PRO 211 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1j4a h PRO 211 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1j4a h PRO 211 CO 0.61 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 1j4a h ALA 212 N 1.65 1.00 -0.03 -0.75 0.00 -1.96 -2.73 119.26 116.43 1j4a h ALA 212 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1j4a h ALA 212 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1j4a h ALA 212 CO -0.54 0.00 0.00 0.09 0.00 0.00 0.00 179.25 178.80 1j4a n ASN 213 N -2.34 2.39 -4.68 0.00 3.02 0.47 -4.83 115.26 109.29 1j4a n ASN 213 Ca -0.00 -1.69 -0.42 0.00 -0.03 0.00 0.00 54.58 52.44 1j4a n ASN 213 Cb 0.11 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1j4a n ASN 213 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j4a s VAL 214 N -1.35 2.89 -1.51 2.41 1.01 -1.03 -2.19 120.40 120.63 1j4a s VAL 214 Ca 0.19 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 1j4a s VAL 214 Cb 0.14 -3.16 0.08 0.00 0.00 0.00 0.00 36.38 33.43 1j4a s VAL 214 CO 0.20 -0.01 0.97 1.41 0.00 0.00 0.00 175.10 177.68 1j4a n HIS 215 N 6.16 -2.32 0.22 5.22 8.25 0.56 -4.86 115.22 128.45 1j4a n HIS 215 Ca 0.17 0.88 0.06 0.00 -0.26 0.00 0.00 57.72 58.58 1j4a n HIS 215 Cb 0.40 -4.03 0.51 0.00 1.12 0.00 0.00 29.99 27.99 1j4a n HIS 215 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j4a h MET 216 N -2.06 0.00 -5.03 -0.41 3.00 -0.77 -3.35 114.93 106.30 1j4a h MET 216 Ca -0.57 0.00 -0.68 0.00 0.00 0.00 0.00 59.70 58.45 1j4a h MET 216 Cb 1.37 0.00 -0.17 0.00 0.00 0.00 0.00 31.60 32.80 1j4a h MET 216 CO 0.65 0.24 -0.12 0.42 0.00 0.00 0.00 176.91 178.10 1j4a s ILE 217 N -4.32 5.03 0.36 -0.10 -1.09 -0.77 -4.71 121.20 115.60 1j4a s ILE 217 Ca -0.03 -0.16 -0.04 0.00 -2.23 0.00 0.00 60.65 58.20 1j4a s ILE 217 Cb 0.14 -4.06 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1j4a s ILE 217 CO 0.68 -0.42 0.53 -0.46 -1.23 0.00 0.00 174.94 174.04 1j4a n ASN 218 N 5.75 -1.50 -0.31 3.58 0.23 -1.26 -1.25 115.26 120.50 1j4a n ASN 218 Ca -0.06 -2.85 0.03 0.00 -0.53 0.00 0.00 54.58 51.17 1j4a n ASN 218 Cb 0.48 2.74 0.17 0.00 -2.08 0.00 0.00 39.78 41.09 1j4a n ASN 218 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1j4a h ASP 219 N 1.97 0.78 0.13 0.53 3.32 -1.93 -0.29 116.42 120.92 1j4a h ASP 219 Ca -0.28 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1j4a h ASP 219 Cb 1.19 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1j4a h ASP 219 CO 0.38 0.46 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.97 1j4a h GLU 220 N 0.89 -0.16 -0.36 3.56 4.39 -1.97 -1.87 114.58 119.06 1j4a h GLU 220 Ca 0.41 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 60.03 1j4a h GLU 220 Cb 0.32 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1j4a h GLU 220 CO -0.22 0.06 -0.14 0.66 -1.16 0.00 0.00 179.01 178.21 1j4a h SER 221 N -0.38 0.64 0.25 1.42 4.64 -1.75 -2.98 113.55 115.39 1j4a h SER 221 Ca -0.02 -0.19 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 1j4a h SER 221 Cb 0.30 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1j4a h SER 221 CO 0.03 0.80 -0.36 0.40 -0.87 0.00 0.00 176.83 176.84 1j4a h ILE 222 N 0.59 1.28 0.00 0.95 2.04 -1.06 -2.02 117.51 119.29 1j4a h ILE 222 Ca 0.10 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 1j4a h ILE 222 Cb 0.58 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1j4a h ILE 222 CO 0.04 0.40 -0.15 0.00 0.00 0.00 0.00 178.15 178.44 1j4a h ALA 223 N 1.50 1.21 0.00 1.87 0.00 -1.19 -2.44 119.26 120.20 1j4a h ALA 223 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1j4a h ALA 223 Cb 0.70 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1j4a h ALA 223 CO 0.05 0.18 -0.30 0.87 0.00 0.00 0.00 179.25 180.06 1j4a h LYS 224 N 0.00 0.00 -7.32 0.00 1.57 -1.27 -3.46 116.57 106.09 1j4a h LYS 224 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1j4a h LYS 224 Cb 0.44 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.90 1j4a h LYS 224 CO 0.02 0.05 0.25 -1.64 -0.57 0.00 0.00 179.45 177.56 1j4a s MET 225 N -3.22 1.39 0.48 3.15 -1.94 -0.92 -3.85 119.30 114.39 1j4a s MET 225 Ca 0.05 0.95 -0.22 0.00 -1.71 0.00 0.00 55.69 54.76 1j4a s MET 225 Cb 0.06 -1.81 -0.07 0.00 2.01 0.00 0.00 34.83 35.02 1j4a s MET 225 CO 0.71 -2.19 1.15 0.15 -0.01 0.00 0.00 175.02 174.83 1j4a s LYS 226 N -4.89 3.66 0.40 2.03 1.02 -1.16 -4.96 119.74 115.85 1j4a s LYS 226 Ca 0.63 1.72 -0.26 0.00 0.02 0.00 0.00 55.97 58.08 1j4a s LYS 226 Cb -0.18 -2.29 -0.10 0.00 -0.52 0.00 0.00 37.83 34.73 1j4a s LYS 226 CO 0.57 -0.62 1.24 0.94 -0.92 0.00 0.00 175.35 176.56 1j4a n GLN 227 N -0.71 1.89 -2.09 1.68 -0.06 -1.26 -2.27 117.38 114.56 1j4a n GLN 227 Ca 0.08 0.67 -0.17 0.00 -2.00 0.00 0.00 57.00 55.58 1j4a n GLN 227 Cb 0.49 -2.32 -0.03 0.00 -4.06 0.00 0.00 30.24 24.32 1j4a n GLN 227 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1j4a n ASP 228 N 0.36 -5.06 -4.77 1.69 10.43 -0.42 -4.99 116.55 113.79 1j4a n ASP 228 Ca 0.07 0.11 -0.40 0.00 2.57 0.00 0.00 54.79 57.14 1j4a n ASP 228 Cb 0.39 -4.13 0.00 0.00 1.84 0.00 0.00 41.12 39.22 1j4a n ASP 228 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1j4a s VAL 229 N -2.80 2.36 -0.21 2.53 0.11 -0.96 -4.20 120.40 117.23 1j4a s VAL 229 Ca 0.00 0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1j4a s VAL 229 Cb 0.00 -3.20 -0.02 0.00 -1.53 0.00 0.00 36.38 31.63 1j4a s VAL 229 CO 0.00 0.06 0.01 -0.69 -3.33 0.00 0.00 175.10 171.14 1j4a s VAL 230 N -1.20 3.94 -0.15 2.04 1.01 -0.05 -0.40 120.40 125.60 1j4a s VAL 230 Ca 0.56 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 1j4a s VAL 230 Cb -0.42 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1j4a s VAL 230 CO 0.54 0.41 -0.06 -0.63 0.00 0.00 0.00 175.10 175.37 1j4a s ILE 231 N 1.14 3.72 -0.09 2.22 1.01 -0.88 -0.97 121.20 127.35 1j4a s ILE 231 Ca 0.03 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1j4a s ILE 231 Cb -0.14 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1j4a s ILE 231 CO 0.01 0.51 -0.15 -0.69 0.00 0.00 0.00 174.94 174.62 1j4a s VAL 232 N 0.29 1.40 -0.34 2.92 1.01 -0.03 -0.77 120.40 124.89 1j4a s VAL 232 Ca -0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1j4a s VAL 232 Cb -0.14 -1.27 0.11 0.00 0.00 0.00 0.00 36.38 35.08 1j4a s VAL 232 CO 0.03 0.42 0.15 0.21 0.00 0.00 0.00 175.10 175.91 1j4a s ASN 233 N 0.78 3.68 -0.14 3.32 2.47 -0.31 -1.77 114.94 122.98 1j4a s ASN 233 Ca -0.11 -1.84 0.15 0.00 0.42 0.00 0.00 52.86 51.48 1j4a s ASN 233 Cb -0.16 -0.71 0.55 0.00 -1.45 0.00 0.00 41.25 39.49 1j4a s ASN 233 CO 0.02 -0.38 1.46 1.33 -3.72 0.00 0.00 177.10 175.82 1j4a n VAL 234 N 4.55 1.99 0.00 -5.21 0.24 -1.26 -1.81 118.33 116.83 1j4a n VAL 234 Ca 0.02 -1.51 0.00 0.00 -2.04 0.00 0.00 64.34 60.81 1j4a n VAL 234 Cb 0.40 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 1j4a n VAL 234 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1j4a n SER 235 N 0.15 0.00 -3.81 -1.34 7.64 -1.26 -4.87 113.62 110.12 1j4a n SER 235 Ca 0.21 0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.98 1j4a n SER 235 Cb 0.83 -0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 63.80 1j4a n SER 235 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1j4a s ARG 236 N -0.21 0.19 0.17 1.43 1.81 -1.26 -4.97 118.95 116.10 1j4a s ARG 236 Ca 0.00 0.23 -0.16 0.00 -1.72 0.00 0.00 55.73 54.08 1j4a s ARG 236 Cb 0.00 0.08 0.11 0.00 -0.45 0.00 0.00 34.95 34.69 1j4a s ARG 236 CO 0.00 -0.03 1.68 0.78 -0.68 0.00 0.00 175.30 177.05 1j4a h GLY 237 N 5.95 0.35 1.80 -3.53 0.00 -1.86 -2.68 103.07 103.10 1j4a h GLY 237 Ca -0.26 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1j4a h GLY 237 CO 0.41 -0.13 0.00 -1.05 0.00 0.00 0.00 176.54 175.77 1j4a n PRO 238 N -5.26 0.10 0.26 4.80 -0.02 -1.26 -1.96 135.00 131.65 1j4a n PRO 238 Ca 0.03 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.82 1j4a n PRO 238 Cb 0.22 -1.50 0.69 0.00 -0.02 0.00 0.00 33.50 32.89 1j4a n PRO 238 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1j4a h LEU 239 N 0.00 0.00 -8.24 2.45 3.38 -1.69 0.16 115.31 111.37 1j4a h LEU 239 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1j4a h LEU 239 Cb 0.20 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.61 1j4a h LEU 239 CO 0.00 0.12 -0.87 -0.69 0.09 0.00 0.00 178.44 177.09 1j4a s VAL 240 N -4.38 1.92 -0.71 1.22 1.01 -0.83 -1.51 120.40 117.12 1j4a s VAL 240 Ca -0.03 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 1j4a s VAL 240 Cb 0.14 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1j4a s VAL 240 CO 0.61 0.53 1.23 -0.62 0.00 0.00 0.00 175.10 176.84 1j4a s ASP 241 N 0.54 6.20 0.21 3.32 -1.08 -0.38 -4.81 116.67 120.67 1j4a s ASP 241 Ca -0.15 -0.44 -0.10 0.00 -0.52 0.00 0.00 52.55 51.35 1j4a s ASP 241 Cb -0.17 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.00 1j4a s ASP 241 CO 0.05 -1.73 1.79 0.74 0.52 0.00 0.00 175.17 176.53 1j4a h THR 242 N 6.04 0.91 -0.38 1.71 2.02 -1.92 -1.89 112.91 119.39 1j4a h THR 242 Ca -0.28 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1j4a h THR 242 Cb 1.05 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1j4a h THR 242 CO 1.25 0.11 0.22 0.44 0.37 0.00 0.00 175.52 177.90 1j4a h ASP 243 N 0.58 0.46 -0.33 4.18 3.32 -1.98 -0.78 116.42 121.86 1j4a h ASP 243 Ca 0.30 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.22 1j4a h ASP 243 Cb 0.25 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1j4a h ASP 243 CO -0.22 0.37 -0.14 0.00 -1.72 0.00 0.00 179.24 177.54 1j4a h ALA 244 N 1.71 0.96 -0.39 3.45 0.00 -1.72 -0.59 119.26 122.69 1j4a h ALA 244 Ca 0.14 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1j4a h ALA 244 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1j4a h ALA 244 CO -0.02 0.61 -0.18 0.28 0.00 0.00 0.00 179.25 179.93 1j4a h VAL 245 N 0.70 1.28 -0.79 0.00 2.07 -0.93 -2.19 116.25 116.39 1j4a h VAL 245 Ca 0.11 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1j4a h VAL 245 Cb 0.62 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1j4a h VAL 245 CO 0.04 0.44 0.51 0.40 0.02 0.00 0.00 177.57 178.98 1j4a h ILE 246 N 0.61 1.13 -0.67 4.57 2.04 -0.97 0.28 117.51 124.50 1j4a h ILE 246 Ca 0.09 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1j4a h ILE 246 Cb 0.73 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1j4a h ILE 246 CO 0.06 0.18 0.39 0.03 0.00 0.00 0.00 178.15 178.80 1j4a h ARG 247 N 1.00 0.93 -0.59 2.37 3.08 -0.89 0.10 114.38 120.38 1j4a h ARG 247 Ca 0.31 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1j4a h ARG 247 Cb -0.01 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 1j4a h ARG 247 CO -0.11 0.69 0.15 0.78 -1.07 0.00 0.00 179.97 180.41 1j4a h GLY 248 N 0.92 0.98 0.79 0.04 0.00 -0.80 -1.01 103.07 103.99 1j4a h GLY 248 Ca 0.24 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1j4a h GLY 248 CO -0.04 0.54 -0.11 1.41 0.00 0.00 0.00 176.54 178.33 1j4a h LEU 249 N 0.87 0.43 -1.24 3.11 3.38 -0.47 -1.04 115.31 120.36 1j4a h LEU 249 Ca 0.19 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1j4a h LEU 249 Cb 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1j4a h LEU 249 CO -0.00 0.76 -0.05 0.44 0.09 0.00 0.00 178.44 179.68 1j4a h ASP 250 N 0.09 0.43 1.53 -0.43 3.32 -0.65 -1.49 116.42 119.22 1j4a h ASP 250 Ca 0.04 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1j4a h ASP 250 Cb 0.61 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1j4a h ASP 250 CO 0.03 0.54 -0.02 0.77 -1.72 0.00 0.00 179.24 178.84 1j4a h SER 251 N 0.44 0.00 0.00 6.45 4.64 -1.22 -3.47 113.55 120.38 1j4a h SER 251 Ca 0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1j4a h SER 251 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1j4a h SER 251 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1j4a n GLY 252 N 1.28 0.78 0.08 -0.77 0.00 -0.56 -4.94 105.19 101.06 1j4a n GLY 252 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1j4a n GLY 252 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j4a h LYS 253 N 3.49 0.13 -5.42 1.61 1.63 -1.49 -3.42 116.57 113.10 1j4a h LYS 253 Ca 0.00 -0.04 -0.61 0.00 -0.85 0.00 0.00 60.65 59.15 1j4a h LYS 253 Cb 0.00 -0.02 -0.12 0.00 -0.60 0.00 0.00 32.23 31.49 1j4a h LYS 253 CO 0.00 0.35 0.06 0.42 -3.45 0.00 0.00 179.45 176.83 1j4a s ILE 254 N -5.15 5.03 0.26 2.00 1.01 -0.51 -1.30 121.20 122.54 1j4a s ILE 254 Ca -0.14 0.97 -0.00 0.00 0.00 0.00 0.00 60.65 61.48 1j4a s ILE 254 Cb 0.05 -3.88 0.07 0.00 0.01 0.00 0.00 42.46 38.71 1j4a s ILE 254 CO 0.69 0.05 1.71 0.15 0.00 0.00 0.00 174.94 177.54 1j4a h PHE 255 N 7.98 0.68 -1.50 3.97 3.57 -0.90 -3.40 116.94 127.35 1j4a h PHE 255 Ca -0.28 -0.13 0.27 0.00 3.53 0.00 0.00 57.97 61.36 1j4a h PHE 255 Cb 1.13 -0.17 -0.16 0.00 2.79 0.00 0.00 35.95 39.54 1j4a h PHE 255 CO 0.76 0.76 0.80 0.20 -2.23 0.00 0.00 178.31 178.60 1j4a s GLY 256 N -3.90 -0.34 -0.04 2.40 0.00 -1.23 -4.87 107.32 99.35 1j4a s GLY 256 Ca -0.08 1.24 -0.00 0.00 0.00 0.00 0.00 44.72 45.88 1j4a s GLY 256 CO 0.80 0.38 0.01 -0.47 0.00 0.00 0.00 173.10 173.82 1j4a s TYR 257 N -2.46 0.33 -0.22 1.90 5.04 -0.31 -2.08 117.35 119.56 1j4a s TYR 257 Ca 0.11 0.00 -0.04 0.00 -2.44 0.00 0.00 57.07 54.70 1j4a s TYR 257 Cb 0.01 -0.46 -0.01 0.00 0.35 0.00 0.00 41.96 41.85 1j4a s TYR 257 CO -0.04 -0.16 -0.03 0.00 -1.34 0.00 0.00 175.55 173.98 1j4a s ALA 258 N 1.24 2.85 -0.13 3.97 0.00 0.05 -1.53 121.76 128.20 1j4a s ALA 258 Ca -0.07 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1j4a s ALA 258 Cb -0.13 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.27 1j4a s ALA 258 CO -0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 175.76 175.18 1j4a s MET 259 N 1.47 2.18 0.00 0.00 0.23 -0.47 -1.16 119.30 121.55 1j4a s MET 259 Ca 0.06 -0.52 0.17 0.00 -1.03 0.00 0.00 55.69 54.37 1j4a s MET 259 Cb -0.14 -1.98 0.08 0.00 -1.53 0.00 0.00 34.83 31.26 1j4a s MET 259 CO -0.03 -0.19 0.98 -3.47 -2.03 0.00 0.00 175.02 170.28 1j4a n ASP 260 N 4.64 2.12 -4.12 -1.18 2.03 -0.75 -2.03 116.55 117.26 1j4a n ASP 260 Ca -0.17 -1.56 -0.12 0.00 0.52 0.00 0.00 54.79 53.46 1j4a n ASP 260 Cb 0.50 0.21 -0.11 0.00 -0.72 0.00 0.00 41.12 41.00 1j4a n ASP 260 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1j4a s VAL 261 N -1.69 0.62 -0.28 5.18 -7.23 -1.25 -1.18 120.40 114.57 1j4a s VAL 261 Ca 0.18 -1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 58.71 1j4a s VAL 261 Cb 0.14 -1.21 0.13 0.00 0.56 0.00 0.00 36.38 36.01 1j4a s VAL 261 CO 0.31 -0.66 0.59 -0.47 -0.31 0.00 0.00 175.10 174.56 1j4a s TYR 262 N -2.65 -1.28 -0.18 2.82 5.04 -1.26 -4.73 117.35 115.11 1j4a s TYR 262 Ca 0.02 2.03 -0.34 0.00 -2.44 0.00 0.00 57.07 56.34 1j4a s TYR 262 Cb -0.01 0.65 -0.11 0.00 0.35 0.00 0.00 41.96 42.83 1j4a s TYR 262 CO -0.03 -0.68 1.99 -1.91 -1.34 0.00 0.00 175.55 173.58 1j4a n GLU 263 N 5.43 1.81 -1.40 4.97 2.13 -1.26 -1.14 120.64 131.18 1j4a n GLU 263 Ca -0.09 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1j4a n GLU 263 Cb 0.49 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.57 1j4a n GLU 263 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j4a n GLY 264 N 5.07 0.81 0.13 8.31 0.00 -1.26 -4.97 105.19 113.27 1j4a n GLY 264 Ca 0.28 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.72 1j4a n GLY 264 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1j4a h GLU 265 N 0.00 0.00 -6.75 1.61 4.11 -1.56 -3.45 114.58 108.54 1j4a h GLU 265 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1j4a h GLU 265 Cb 0.68 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.00 1j4a h GLU 265 CO 0.00 0.16 0.93 0.08 0.07 0.00 0.00 179.01 180.25 1j4a s VAL 266 N -3.15 2.05 0.00 -1.06 1.01 -1.26 -0.61 120.40 117.37 1j4a s VAL 266 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1j4a s VAL 266 Cb 0.08 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1j4a s VAL 266 CO 0.77 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1j4a n GLY 267 N 2.81 3.00 0.28 4.51 0.00 -1.26 -4.77 105.19 109.76 1j4a n GLY 267 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1j4a n GLY 267 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j4a n ILE 268 N -2.00 1.32 -1.60 -0.61 -0.00 -0.27 -4.85 119.36 111.35 1j4a n ILE 268 Ca 0.00 -0.16 -0.36 0.00 -0.00 0.00 0.00 62.75 62.22 1j4a n ILE 268 Cb 0.00 -1.94 0.08 0.00 -0.00 0.00 0.00 39.64 37.78 1j4a n ILE 268 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 1j4a n PHE 269 N -4.11 1.70 -2.41 1.39 3.01 0.22 -3.06 117.46 114.20 1j4a n PHE 269 Ca -0.35 0.42 -0.18 0.00 1.01 0.00 0.00 57.45 58.35 1j4a n PHE 269 Cb 0.70 -2.22 -0.00 0.00 -0.01 0.00 0.00 39.48 37.94 1j4a n PHE 269 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1j4a n ASN 270 N -2.05 -5.23 -4.11 4.37 5.15 -1.26 -4.92 115.26 107.21 1j4a n ASN 270 Ca 0.15 -0.04 -0.15 0.00 -0.60 0.00 0.00 54.58 53.94 1j4a n ASN 270 Cb 0.48 -4.28 -0.11 0.00 -0.53 0.00 0.00 39.78 35.34 1j4a n ASN 270 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1j4a s GLU 271 N -4.96 0.65 -0.36 1.20 0.41 -1.17 -5.09 118.70 109.37 1j4a s GLU 271 Ca 0.03 -0.86 -0.18 0.00 -0.41 0.00 0.00 54.97 53.54 1j4a s GLU 271 Cb -0.01 -0.48 -0.00 0.00 -1.78 0.00 0.00 34.13 31.86 1j4a s GLU 271 CO 0.04 0.09 0.53 0.34 -0.49 0.00 0.00 175.26 175.77 1j4a s ASP 272 N -1.73 6.32 0.00 -0.19 2.15 -1.26 -4.91 116.67 117.05 1j4a s ASP 272 Ca -0.06 -0.06 0.11 0.00 0.43 0.00 0.00 52.55 52.97 1j4a s ASP 272 Cb -0.09 -2.27 0.26 0.00 -0.30 0.00 0.00 42.92 40.51 1j4a s ASP 272 CO 0.01 -0.51 1.17 0.79 -0.17 0.00 0.00 175.17 176.45 1j4a n TRP 273 N 5.79 0.36 -1.78 -5.34 7.02 -1.26 -4.98 117.44 117.26 1j4a n TRP 273 Ca -0.04 -0.39 -0.42 0.00 -1.02 0.00 0.00 57.50 55.62 1j4a n TRP 273 Cb 0.49 -0.02 -0.03 0.00 -2.42 0.00 0.00 31.31 29.33 1j4a n TRP 273 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1j4a s GLU 274 N -0.98 4.15 -0.30 -0.99 2.12 -1.26 -0.74 118.70 120.69 1j4a s GLU 274 Ca 0.21 2.54 0.00 0.00 0.36 0.00 0.00 54.97 58.08 1j4a s GLU 274 Cb 0.11 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.26 1j4a s GLU 274 CO 0.15 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.54 1j4a n GLY 275 N 3.99 0.54 3.24 -1.50 0.00 -1.26 -4.98 105.19 105.23 1j4a n GLY 275 Ca 0.16 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1j4a n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j4a n LYS 276 N -1.82 0.65 -2.83 1.61 5.02 0.08 -5.12 118.16 115.76 1j4a n LYS 276 Ca -0.03 -3.33 -0.41 0.00 -2.02 0.00 0.00 58.31 52.52 1j4a n LYS 276 Cb 0.23 1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 36.79 1j4a n LYS 276 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1j4a s GLU 277 N -3.53 4.45 -0.13 1.97 2.12 -1.26 -4.99 118.70 117.33 1j4a s GLU 277 Ca 0.15 1.20 -0.23 0.00 0.36 0.00 0.00 54.97 56.45 1j4a s GLU 277 Cb 0.01 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1j4a s GLU 277 CO 0.11 -0.13 0.72 0.12 -0.54 0.00 0.00 175.26 175.53 1j4a s PHE 278 N 1.40 3.48 -1.46 5.30 5.36 -1.26 -4.98 117.98 125.82 1j4a s PHE 278 Ca 0.45 1.17 0.27 0.00 -0.96 0.00 0.00 56.93 57.86 1j4a s PHE 278 Cb -0.19 -2.86 1.39 0.00 -0.34 0.00 0.00 43.02 41.02 1j4a s PHE 278 CO 0.20 -0.07 1.94 -0.35 -1.46 0.00 0.00 175.22 175.48 1j4a n PRO 279 N 4.50 0.41 -3.58 10.12 -0.04 -1.26 -4.68 135.00 140.47 1j4a n PRO 279 Ca 0.00 0.03 -0.27 0.00 -0.04 0.00 0.00 63.50 63.22 1j4a n PRO 279 Cb 0.50 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.30 1j4a n PRO 279 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1j4a s ASP 280 N -2.54 2.86 0.33 3.54 -1.08 -1.26 -5.01 116.67 113.51 1j4a s ASP 280 Ca 0.27 -0.90 0.06 0.00 -0.52 0.00 0.00 52.55 51.46 1j4a s ASP 280 Cb 0.18 -0.30 0.58 0.00 -1.46 0.00 0.00 42.92 41.93 1j4a s ASP 280 CO 0.41 -0.39 1.80 0.00 0.52 0.00 0.00 175.17 177.52 1j4a h ALA 281 N 8.41 1.28 -0.31 3.66 0.00 -2.00 -1.40 119.26 128.90 1j4a h ALA 281 Ca -0.17 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1j4a h ALA 281 Cb 1.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1j4a h ALA 281 CO 0.35 0.48 -0.08 -0.09 0.00 0.00 0.00 179.25 179.91 1j4a h ARG 282 N 0.30 0.60 -0.56 0.00 2.43 -2.00 -2.30 114.38 112.84 1j4a h ARG 282 Ca 0.05 -0.23 -0.09 0.00 -0.81 0.00 0.00 59.98 58.89 1j4a h ARG 282 Cb 0.57 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1j4a h ARG 282 CO 0.04 0.79 -0.01 1.25 -1.51 0.00 0.00 179.97 180.53 1j4a h LEU 283 N 0.36 0.96 -1.09 3.80 5.85 -1.86 -1.67 115.31 121.66 1j4a h LEU 283 Ca 0.08 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1j4a h LEU 283 Cb 0.57 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1j4a h LEU 283 CO 0.03 1.02 0.51 0.00 -0.34 0.00 0.00 178.44 179.67 1j4a h ALA 284 N 1.08 1.32 -0.42 1.25 0.00 -1.18 -0.68 119.26 120.62 1j4a h ALA 284 Ca 0.16 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1j4a h ALA 284 Cb 0.54 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1j4a h ALA 284 CO 0.03 0.59 -0.33 0.22 0.00 0.00 0.00 179.25 179.76 1j4a h ASP 285 N 1.16 1.01 -0.76 0.00 3.58 -1.15 -3.01 116.42 117.25 1j4a h ASP 285 Ca 0.30 -0.43 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 1j4a h ASP 285 Cb -0.06 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.67 1j4a h ASP 285 CO -0.06 1.24 0.40 -0.07 -2.88 0.00 0.00 179.24 177.87 1j4a h LEU 286 N 0.80 0.96 -1.04 2.28 3.38 -0.77 -2.55 115.31 118.37 1j4a h LEU 286 Ca 0.08 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1j4a h LEU 286 Cb 0.92 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 1j4a h LEU 286 CO 0.09 0.79 0.64 0.40 0.09 0.00 0.00 178.44 180.45 1j4a h ILE 287 N 1.05 1.12 -0.01 1.22 2.04 -1.03 -2.82 117.51 119.08 1j4a h ILE 287 Ca 0.27 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1j4a h ILE 287 Cb 0.06 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 35.96 1j4a h ILE 287 CO -0.04 0.22 -0.19 0.00 0.00 0.00 0.00 178.15 178.13 1j4a n ALA 288 N -2.37 2.96 -1.77 1.87 0.00 -1.04 -4.75 120.51 115.40 1j4a n ALA 288 Ca 0.14 -0.44 -0.38 0.00 0.00 0.00 0.00 53.44 52.76 1j4a n ALA 288 Cb 0.15 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1j4a n ALA 288 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1j4a s ARG 289 N -2.35 4.01 0.51 0.00 0.52 -0.99 -4.92 118.95 115.73 1j4a s ARG 289 Ca 0.28 1.80 0.30 0.00 -0.52 0.00 0.00 55.73 57.58 1j4a s ARG 289 Cb 0.20 -2.61 1.23 0.00 0.52 0.00 0.00 34.95 34.28 1j4a s ARG 289 CO 0.47 -0.35 1.94 -1.00 0.02 0.00 0.00 175.30 176.38 1j4a h PRO 290 N 2.52 0.00 -0.21 3.54 0.13 -1.90 -2.89 132.00 133.18 1j4a h PRO 290 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1j4a h PRO 290 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1j4a h PRO 290 CO 0.62 0.10 -0.09 0.27 -0.23 0.00 0.00 178.00 178.67 1j4a n ASN 291 N -3.26 2.77 -4.03 1.44 6.94 -1.26 -3.91 115.26 113.96 1j4a n ASN 291 Ca 0.00 -3.43 -0.23 0.00 -0.02 0.00 0.00 54.58 50.90 1j4a n ASN 291 Cb 0.34 -0.55 -0.16 0.00 -2.36 0.00 0.00 39.78 37.05 1j4a n ASN 291 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1j4a s VAL 292 N -3.05 1.01 -0.30 3.53 1.01 -1.09 -1.16 120.40 120.34 1j4a s VAL 292 Ca 0.41 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1j4a s VAL 292 Cb 0.36 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.90 1j4a s VAL 292 CO 0.02 0.32 -0.01 -0.76 0.00 0.00 0.00 175.10 174.67 1j4a s LEU 293 N 0.39 4.05 -0.21 3.92 1.43 -0.58 -4.68 118.68 123.00 1j4a s LEU 293 Ca -0.08 -1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 51.32 1j4a s LEU 293 Cb -0.12 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1j4a s LEU 293 CO 0.02 -0.29 0.19 -0.69 0.23 0.00 0.00 176.35 175.81 1j4a s VAL 294 N 1.11 5.36 0.03 -1.59 1.01 -1.26 -1.36 120.40 123.70 1j4a s VAL 294 Ca -0.02 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.29 1j4a s VAL 294 Cb -0.20 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1j4a s VAL 294 CO -0.04 0.38 -0.14 0.42 0.00 0.00 0.00 175.10 175.72 1j4a s THR 295 N 0.70 1.08 -1.28 3.92 -4.23 -0.86 -5.02 115.64 109.95 1j4a s THR 295 Ca 0.10 -0.93 -0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1j4a s THR 295 Cb -0.12 -0.97 0.15 0.00 1.34 0.00 0.00 72.50 72.90 1j4a s THR 295 CO 0.02 0.04 2.18 -0.81 -0.54 0.00 0.00 174.62 175.50 1j4a n PRO 296 N 2.02 4.39 -3.46 3.99 -0.04 -1.26 -4.19 135.00 136.45 1j4a n PRO 296 Ca -0.18 -3.60 -0.20 0.00 -0.04 0.00 0.00 63.50 59.48 1j4a n PRO 296 Cb 0.55 -2.69 0.06 0.00 -0.04 0.00 0.00 33.50 31.38 1j4a n PRO 296 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j4a n LYS 297 N 2.16 -3.14 -0.08 0.54 4.81 -0.33 -4.65 118.16 117.47 1j4a n LYS 297 Ca 0.54 0.73 0.04 0.00 -0.87 0.00 0.00 58.31 58.75 1j4a n LYS 297 Cb 0.28 -5.33 0.09 0.00 0.02 0.00 0.00 35.03 30.08 1j4a n LYS 297 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1j4a n THR 298 N -3.77 0.60 -0.18 3.15 -2.24 -1.26 -4.62 114.28 105.96 1j4a n THR 298 Ca -0.15 -0.80 0.12 0.00 -2.27 0.00 0.00 64.05 60.95 1j4a n THR 298 Cb 0.63 0.77 0.44 0.00 -2.10 0.00 0.00 70.33 70.08 1j4a n THR 298 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j4a h ALA 299 N 1.62 1.95 0.00 6.98 0.00 -1.90 -0.70 119.26 127.20 1j4a h ALA 299 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j4a h ALA 299 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1j4a h ALA 299 CO 0.00 -0.13 0.00 0.27 0.00 0.00 0.00 179.25 179.39 1j4a h PHE 300 N 0.55 0.00 -1.66 0.00 -0.00 -1.85 -3.25 116.94 110.74 1j4a h PHE 300 Ca 0.37 0.00 -0.73 0.00 -0.00 0.00 0.00 57.97 57.60 1j4a h PHE 300 Cb 0.65 0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 36.45 1j4a h PHE 300 CO -0.00 0.00 1.76 0.98 -0.00 0.00 0.00 178.31 181.05 1j4a n TYR 301 N -3.06 4.26 -4.35 6.09 9.36 -0.27 -4.63 117.16 124.56 1j4a n TYR 301 Ca 0.01 -3.11 -0.18 0.00 3.32 0.00 0.00 57.90 57.93 1j4a n TYR 301 Cb 0.31 -2.19 -0.10 0.00 -0.63 0.00 0.00 39.34 36.72 1j4a n TYR 301 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1j4a s THR 302 N 1.63 1.29 0.37 2.97 -4.23 -1.26 -5.05 115.64 111.36 1j4a s THR 302 Ca 0.43 -2.08 0.13 0.00 -1.18 0.00 0.00 61.69 58.99 1j4a s THR 302 Cb 0.03 -2.31 0.09 0.00 1.34 0.00 0.00 72.50 71.66 1j4a s THR 302 CO 0.01 -0.38 1.83 0.71 -0.54 0.00 0.00 174.62 176.25 1j4a h THR 303 N 2.45 1.26 -0.15 3.99 1.35 -1.98 -1.28 112.91 118.54 1j4a h THR 303 Ca -0.39 -1.25 -0.04 0.00 -0.55 0.00 0.00 66.41 64.19 1j4a h THR 303 Cb 1.22 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1j4a h THR 303 CO 0.65 0.36 -0.05 -0.74 -0.25 0.00 0.00 175.52 175.49 1j4a h HIS 304 N 0.00 0.34 -0.20 4.73 -0.00 -1.95 -1.41 115.15 116.67 1j4a h HIS 304 Ca -0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1j4a h HIS 304 Cb 0.65 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.96 1j4a h HIS 304 CO 0.00 0.60 0.09 0.00 -0.00 0.00 0.00 177.93 178.62 1j4a h ALA 305 N 0.70 0.25 -0.56 5.26 0.00 -1.68 -2.69 119.26 120.55 1j4a h ALA 305 Ca 0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1j4a h ALA 305 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1j4a h ALA 305 CO 0.02 -0.18 -0.02 0.28 0.00 0.00 0.00 179.25 179.34 1j4a h VAL 306 N 0.19 1.26 -0.55 0.00 2.07 -1.24 0.98 116.25 118.96 1j4a h VAL 306 Ca 0.07 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.49 1j4a h VAL 306 Cb 0.12 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1j4a h VAL 306 CO -0.01 0.41 0.30 -0.09 0.02 0.00 0.00 177.57 178.20 1j4a h ARG 307 N 0.89 0.57 -0.31 1.57 2.43 -1.26 -0.85 114.38 117.43 1j4a h ARG 307 Ca 0.16 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 1j4a h ARG 307 Cb 0.55 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1j4a h ARG 307 CO 0.03 0.38 -0.36 -0.91 -1.51 0.00 0.00 179.97 177.60 1j4a h ASN 308 N 0.59 0.73 -0.83 -3.80 2.35 -1.04 -0.57 115.58 113.00 1j4a h ASN 308 Ca 0.23 -0.31 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1j4a h ASN 308 Cb 0.10 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.22 1j4a h ASN 308 CO -0.14 1.02 0.54 0.24 -1.65 0.00 0.00 177.43 177.44 1j4a h MET 309 N 0.58 1.04 0.15 0.81 2.86 -0.22 -0.94 114.93 119.20 1j4a h MET 309 Ca 0.06 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1j4a h MET 309 Cb 0.88 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1j4a h MET 309 CO 0.08 0.69 -0.07 0.28 1.06 0.00 0.00 176.91 178.94 1j4a h VAL 310 N 1.07 0.98 -0.38 -2.22 2.07 -0.85 -2.96 116.25 113.95 1j4a h VAL 310 Ca 0.32 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 1j4a h VAL 310 Cb -0.04 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1j4a h VAL 310 CO -0.10 0.22 -0.02 0.58 0.02 0.00 0.00 177.57 178.27 1j4a h VAL 311 N -0.71 1.26 0.00 2.57 2.07 -1.11 -1.38 116.25 118.95 1j4a h VAL 311 Ca -0.02 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1j4a h VAL 311 Cb 0.51 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1j4a h VAL 311 CO 0.03 0.35 -0.45 0.11 0.02 0.00 0.00 177.57 177.63 1j4a h LYS 312 N 0.51 0.00 -0.14 1.57 1.79 -1.31 0.54 116.57 119.54 1j4a h LYS 312 Ca 0.11 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.51 1j4a h LYS 312 Cb 0.50 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1j4a h LYS 312 CO 0.02 0.45 -0.19 0.00 -1.08 0.00 0.00 179.45 178.66 1j4a h ALA 313 N 1.55 0.21 -0.60 3.86 0.00 -1.28 -0.40 119.26 122.59 1j4a h ALA 313 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1j4a h ALA 313 Cb 0.81 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1j4a h ALA 313 CO 0.06 0.13 0.05 0.74 0.00 0.00 0.00 179.25 180.23 1j4a h PHE 314 N -0.03 1.12 -0.13 0.00 -1.00 -1.12 -1.30 116.94 114.48 1j4a h PHE 314 Ca 0.02 -0.18 0.02 0.00 2.81 0.00 0.00 57.97 60.64 1j4a h PHE 314 Cb 0.74 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 1j4a h PHE 314 CO 0.09 0.97 -0.02 -0.44 -1.61 0.00 0.00 178.31 177.31 1j4a h ASP 315 N 0.94 -0.09 -0.76 2.17 3.32 -0.82 -0.84 116.42 120.34 1j4a h ASP 315 Ca 0.18 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1j4a h ASP 315 Cb 0.49 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1j4a h ASP 315 CO 0.02 -0.03 0.44 0.78 -1.72 0.00 0.00 179.24 178.74 1j4a h ASN 316 N 0.02 0.93 -0.57 6.45 2.35 -0.75 -1.97 115.58 122.04 1j4a h ASN 316 Ca 0.06 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1j4a h ASN 316 Cb 0.08 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1j4a h ASN 316 CO -0.12 0.74 0.26 0.78 -1.65 0.00 0.00 177.43 177.44 1j4a h ASN 317 N 1.05 0.75 -0.81 5.81 2.35 -0.88 -1.62 115.58 122.23 1j4a h ASN 317 Ca 0.27 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1j4a h ASN 317 Cb -0.01 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 1j4a h ASN 317 CO -0.05 0.68 0.42 0.25 -1.65 0.00 0.00 177.43 177.09 1j4a h LEU 318 N 0.77 1.04 -0.28 1.61 5.85 -0.97 -0.04 115.31 123.28 1j4a h LEU 318 Ca 0.19 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1j4a h LEU 318 Cb 0.14 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1j4a h LEU 318 CO -0.02 0.85 0.16 -0.33 -0.34 0.00 0.00 178.44 178.76 1j4a h GLU 319 N 1.15 0.39 0.21 1.25 5.08 -1.04 0.24 114.58 121.86 1j4a h GLU 319 Ca 0.29 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1j4a h GLU 319 Cb 0.06 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1j4a h GLU 319 CO -0.04 0.33 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.99 1j4a h LEU 320 N 0.35 -0.65 -0.84 1.33 3.38 -0.23 0.13 115.31 118.78 1j4a h LEU 320 Ca 0.10 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.23 1j4a h LEU 320 Cb 0.04 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1j4a h LEU 320 CO -0.02 -0.34 0.49 0.58 0.09 0.00 0.00 178.44 179.24 1j4a h VAL 321 N -0.49 0.92 -0.12 1.22 2.07 -0.79 -1.11 116.25 117.94 1j4a h VAL 321 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1j4a h VAL 321 Cb 0.47 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1j4a h VAL 321 CO -0.07 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.05 1j4a n GLU 322 N -4.73 1.44 -1.15 1.57 1.02 0.05 -4.91 120.64 113.93 1j4a n GLU 322 Ca 0.14 -0.66 -0.05 0.00 -0.02 0.00 0.00 57.16 56.57 1j4a n GLU 322 Cb 0.28 -1.31 -0.02 0.00 -0.02 0.00 0.00 31.44 30.37 1j4a n GLU 322 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j4a n GLY 323 N 0.95 0.76 3.92 0.62 0.00 -0.42 -5.02 105.19 106.00 1j4a n GLY 323 Ca 0.13 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 1j4a n GLY 323 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4a s LYS 324 N -2.02 3.21 -0.18 1.61 1.02 0.39 -5.00 119.74 118.77 1j4a s LYS 324 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 55.97 55.70 1j4a s LYS 324 Cb 0.00 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1j4a s LYS 324 CO 0.00 -0.41 1.48 -2.00 -0.92 0.00 0.00 175.35 173.50 1j4a s GLU 325 N -4.81 4.01 0.55 1.68 2.12 -1.26 -4.22 118.70 116.76 1j4a s GLU 325 Ca 0.50 1.71 -0.21 0.00 0.36 0.00 0.00 54.97 57.32 1j4a s GLU 325 Cb -0.10 -3.93 -0.05 0.00 0.26 0.00 0.00 34.13 30.31 1j4a s GLU 325 CO 0.44 -1.02 1.30 0.00 -0.54 0.00 0.00 175.26 175.44 1j4a s ALA 326 N 4.38 2.77 0.11 6.30 0.00 -1.26 -4.95 121.76 129.10 1j4a s ALA 326 Ca 0.65 1.21 -0.18 0.00 0.00 0.00 0.00 51.96 53.64 1j4a s ALA 326 Cb -0.24 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 1j4a s ALA 326 CO 0.24 -1.24 1.60 0.93 0.00 0.00 0.00 175.76 177.30 1j4a h GLU 327 N 1.41 0.48 -2.33 0.00 5.08 -1.91 -3.39 114.58 113.92 1j4a h GLU 327 Ca -0.51 -0.12 -0.59 0.00 -1.00 0.00 0.00 59.36 57.15 1j4a h GLU 327 Cb 1.29 -0.06 -0.39 0.00 0.50 0.00 0.00 28.75 30.09 1j4a h GLU 327 CO 0.57 0.55 -0.96 0.25 -1.00 0.00 0.00 179.01 178.43 1j4a n THR 328 N -4.67 -0.69 -2.13 1.13 -2.24 -1.26 -5.12 114.28 99.30 1j4a n THR 328 Ca -0.02 -3.77 -0.32 0.00 -2.27 0.00 0.00 64.05 57.66 1j4a n THR 328 Cb 0.19 -1.80 -0.00 0.00 -2.10 0.00 0.00 70.33 66.62 1j4a n THR 328 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1j4a s PRO 329 N -0.50 3.52 -0.17 -0.78 0.04 -1.26 -2.54 135.00 133.31 1j4a s PRO 329 Ca 0.33 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 1j4a s PRO 329 Cb 0.07 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1j4a s PRO 329 CO -0.17 -0.64 -0.02 0.08 0.04 0.00 0.00 177.00 176.30 1j4a s VAL 330 N -2.57 3.97 0.04 -0.36 1.01 -0.24 -4.84 120.40 117.41 1j4a s VAL 330 Ca 0.61 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 1j4a s VAL 330 Cb -0.14 -2.76 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 1j4a s VAL 330 CO 0.37 0.48 1.86 -0.75 0.00 0.00 0.00 175.10 177.05 1j4a s LYS 331 N 0.51 4.15 0.00 2.72 2.20 -1.26 -4.53 119.74 123.52 1j4a s LYS 331 Ca -0.02 2.51 0.25 0.00 -0.36 0.00 0.00 55.97 58.34 1j4a s LYS 331 Cb -0.14 -3.99 0.43 0.00 -1.51 0.00 0.00 37.83 32.62 1j4a s LYS 331 CO 0.02 -0.90 1.40 0.28 -0.36 0.00 0.00 175.35 175.79