#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 2.08 -0.12 -0.78 2.20 -1.26 -2.00 119.74 119.86 1j4a s LYS 3 Ca 0.00 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.17 1j4a s LYS 3 Cb 0.00 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1j4a s LYS 3 CO 0.00 -0.24 -0.23 0.42 -0.36 0.00 0.00 175.35 174.94 1j4a s ILE 4 N 1.55 2.01 0.02 5.43 1.01 0.00 0.41 121.20 131.63 1j4a s ILE 4 Ca 0.05 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1j4a s ILE 4 Cb -0.13 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1j4a s ILE 4 CO -0.10 0.55 -0.00 0.12 0.00 0.00 0.00 174.94 175.50 1j4a s PHE 5 N 0.56 3.04 -0.04 3.97 5.36 0.36 -3.51 117.98 127.73 1j4a s PHE 5 Ca -0.14 0.05 0.04 0.00 -0.96 0.00 0.00 56.93 55.92 1j4a s PHE 5 Cb -0.17 -1.63 -0.00 0.00 -0.34 0.00 0.00 43.02 40.88 1j4a s PHE 5 CO 0.04 0.46 -0.15 0.00 -1.46 0.00 0.00 175.22 174.11 1j4a s ALA 6 N -1.14 1.32 0.10 11.12 0.00 -1.11 0.10 121.76 132.17 1j4a s ALA 6 Ca 0.21 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1j4a s ALA 6 Cb -0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1j4a s ALA 6 CO 0.12 0.24 0.20 0.71 0.00 0.00 0.00 175.76 177.04 1j4a s TYR 7 N 0.04 3.42 -1.10 0.00 1.51 -0.09 -1.36 117.35 119.76 1j4a s TYR 7 Ca -0.03 0.15 -0.23 0.00 -1.01 0.00 0.00 57.07 55.96 1j4a s TYR 7 Cb -0.10 -1.68 0.02 0.00 -0.11 0.00 0.00 41.96 40.08 1j4a s TYR 7 CO 0.01 0.55 0.72 0.00 -1.11 0.00 0.00 175.55 175.72 1j4a n ALA 8 N -0.00 -2.62 -2.69 3.71 0.00 -0.37 -4.36 120.51 114.18 1j4a n ALA 8 Ca -0.07 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.56 1j4a n ALA 8 Cb 0.52 -2.85 -0.05 0.00 0.00 0.00 0.00 19.45 17.07 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 -3.39 4.66 0.80 0.00 -1.09 -0.67 -4.89 121.20 116.62 1j4a s ILE 9 Ca 0.39 -0.09 -0.11 0.00 -2.23 0.00 0.00 60.65 58.61 1j4a s ILE 9 Cb -0.18 -4.39 0.07 0.00 -1.58 0.00 0.00 42.46 36.38 1j4a s ILE 9 CO 0.91 -0.91 1.09 -0.13 -1.23 0.00 0.00 174.94 174.67 1j4a s ARG 10 N 3.21 2.07 0.26 2.79 0.52 -1.26 -4.63 118.95 121.91 1j4a s ARG 10 Ca 0.23 1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 56.45 1j4a s ARG 10 Cb -0.16 -1.88 0.37 0.00 0.52 0.00 0.00 34.95 33.80 1j4a s ARG 10 CO 0.16 -1.74 1.88 0.93 0.02 0.00 0.00 175.30 176.55 1j4a h GLU 11 N -1.20 1.13 0.00 3.54 4.39 -2.02 -0.69 114.58 119.73 1j4a h GLU 11 Ca -0.45 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1j4a h GLU 11 Cb 1.24 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1j4a h GLU 11 CO 0.53 0.75 0.00 0.38 -1.16 0.00 0.00 179.01 179.50 1j4a h ASP 12 N 1.16 0.00 1.16 1.42 2.03 -2.03 -2.74 116.42 117.42 1j4a h ASP 12 Ca 0.41 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.65 1j4a h ASP 12 Cb 0.12 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 1j4a h ASP 12 CO -0.16 0.00 -0.87 -0.33 -1.03 0.00 0.00 179.24 176.85 1j4a h GLU 13 N 0.00 0.00 -0.30 4.15 5.08 -1.49 -3.40 114.58 118.62 1j4a h GLU 13 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1j4a h GLU 13 Cb 0.41 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 1j4a h GLU 13 CO 0.00 0.13 -0.29 0.87 -1.00 0.00 0.00 179.01 178.72 1j4a h LYS 14 N 0.00 -0.26 -0.93 2.33 1.57 -1.24 -1.78 116.57 116.26 1j4a h LYS 14 Ca -0.04 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.94 1j4a h LYS 14 Cb 1.19 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.49 1j4a h LYS 14 CO 0.02 -0.17 0.60 -1.35 -0.57 0.00 0.00 179.45 177.97 1j4a h PRO 15 N -0.27 0.58 0.16 3.15 0.11 -1.78 0.36 132.00 134.31 1j4a h PRO 15 Ca 0.15 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.94 1j4a h PRO 15 Cb 0.51 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.50 1j4a h PRO 15 CO -0.46 0.38 -1.30 0.74 -0.21 0.00 0.00 178.00 177.16 1j4a h PHE 16 N 0.60 0.60 0.61 0.65 0.04 -1.66 -1.39 116.94 116.39 1j4a h PHE 16 Ca 0.49 -0.44 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1j4a h PHE 16 Cb 0.95 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 1j4a h PHE 16 CO -0.00 1.35 -0.47 1.25 -0.60 0.00 0.00 178.31 179.84 1j4a h LEU 17 N 0.09 -1.23 -0.77 1.54 5.85 -0.48 0.71 115.31 121.03 1j4a h LEU 17 Ca -0.16 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.78 1j4a h LEU 17 Cb 2.02 0.38 -0.14 0.00 0.37 0.00 0.00 40.66 43.29 1j4a h LEU 17 CO 0.22 -0.66 -0.30 0.50 -0.34 0.00 0.00 178.44 177.85 1j4a h LYS 18 N -1.03 -0.06 -0.76 1.25 3.11 -0.39 0.64 116.57 119.32 1j4a h LYS 18 Ca -0.08 0.00 0.10 0.00 -2.81 0.00 0.00 60.65 57.87 1j4a h LYS 18 Cb 0.86 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 32.05 1j4a h LYS 18 CO 0.02 -0.04 0.50 1.49 -2.81 0.00 0.00 179.45 178.61 1j4a h GLU 19 N -0.07 0.63 0.03 1.90 4.81 -0.69 -2.49 114.58 118.70 1j4a h GLU 19 Ca 0.32 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1j4a h GLU 19 Cb 0.58 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1j4a h GLU 19 CO -0.81 0.41 -0.02 2.35 -0.73 0.00 0.00 179.01 180.22 1j4a h TRP 20 N 0.64 -0.04 0.00 0.92 7.01 0.27 -3.09 115.95 121.66 1j4a h TRP 20 Ca 0.35 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.35 1j4a h TRP 20 Cb 0.51 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1j4a h TRP 20 CO -0.00 0.36 0.00 0.39 -2.79 0.00 0.00 178.44 176.40 1j4a n GLU 21 N -4.92 0.00 -0.09 2.65 1.02 -0.70 -0.82 120.64 117.79 1j4a n GLU 21 Ca -0.08 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.09 1j4a n GLU 21 Cb 0.22 -1.33 0.07 0.00 -0.02 0.00 0.00 31.44 30.38 1j4a n GLU 21 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j4a n ASP 22 N -0.65 2.42 -0.12 1.62 9.92 -1.17 -2.01 116.55 126.56 1j4a n ASP 22 Ca 0.00 -2.16 0.03 0.00 -0.53 0.00 0.00 54.79 52.13 1j4a n ASP 22 Cb 0.00 -0.14 0.05 0.00 -0.64 0.00 0.00 41.12 40.38 1j4a n ASP 22 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j4a n ALA 23 N -0.28 1.91 -2.61 2.24 0.00 0.00 -4.42 120.51 117.36 1j4a n ALA 23 Ca 0.06 -1.44 -0.02 0.00 0.00 0.00 0.00 53.44 52.04 1j4a n ALA 23 Cb 0.38 -0.22 0.10 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.62 -1.69 0.00 0.00 8.25 -1.23 -4.87 115.22 115.07 1j4a n HIS 24 Ca 0.05 -1.42 0.00 0.00 -0.26 0.00 0.00 57.72 56.09 1j4a n HIS 24 Cb 0.50 1.37 0.00 0.00 1.12 0.00 0.00 29.99 32.99 1j4a n HIS 24 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1j4a n LYS 25 N -1.26 0.00 0.00 -0.41 4.76 -0.85 0.13 118.16 120.52 1j4a n LYS 25 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1j4a n LYS 25 Cb 0.82 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 1j4a n LYS 25 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1j4a n ASP 26 N -0.62 4.29 -4.60 4.39 3.85 -1.26 -4.96 116.55 117.63 1j4a n ASP 26 Ca 0.00 0.00 -0.36 0.00 -0.71 0.00 0.00 54.79 53.72 1j4a n ASP 26 Cb 0.25 0.50 0.08 0.00 -1.35 0.00 0.00 41.12 40.61 1j4a n ASP 26 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1j4a n VAL 27 N -1.70 2.73 -3.63 2.12 0.31 0.34 -4.93 118.33 113.57 1j4a n VAL 27 Ca 0.00 -0.38 -0.37 0.00 -0.01 0.00 0.00 64.34 63.58 1j4a n VAL 27 Cb 0.35 -1.06 -0.10 0.00 -0.91 0.00 0.00 33.84 32.12 1j4a n VAL 27 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1j4a s GLU 28 N -3.26 4.04 -0.20 5.55 2.12 -0.85 -5.04 118.70 121.08 1j4a s GLU 28 Ca 0.73 -0.26 -0.00 0.00 0.36 0.00 0.00 54.97 55.80 1j4a s GLU 28 Cb -0.35 -3.57 0.05 0.00 0.26 0.00 0.00 34.13 30.52 1j4a s GLU 28 CO 0.51 -0.01 -0.05 0.14 -0.54 0.00 0.00 175.26 175.31 1j4a s VAL 29 N 1.26 1.24 0.20 3.70 -7.23 -1.26 -0.82 120.40 117.49 1j4a s VAL 29 Ca 0.08 -0.86 0.10 0.00 -1.81 0.00 0.00 61.98 59.49 1j4a s VAL 29 Cb -0.14 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 1j4a s VAL 29 CO 0.06 0.01 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.10 1j4a s GLU 30 N 1.55 1.83 0.20 4.82 0.41 -1.23 -5.07 118.70 121.22 1j4a s GLU 30 Ca -0.02 -1.42 -0.12 0.00 -0.41 0.00 0.00 54.97 53.00 1j4a s GLU 30 Cb -0.17 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 1j4a s GLU 30 CO -0.07 0.41 0.41 1.52 -0.49 0.00 0.00 175.26 177.04 1j4a s TYR 31 N -1.79 0.24 0.24 1.61 1.13 -1.26 -2.73 117.35 114.80 1j4a s TYR 31 Ca 0.24 -0.60 0.05 0.00 -1.41 0.00 0.00 57.07 55.35 1j4a s TYR 31 Cb -0.08 0.14 -0.05 0.00 -1.10 0.00 0.00 41.96 40.87 1j4a s TYR 31 CO 0.13 -0.86 -0.03 -0.08 -2.51 0.00 0.00 175.55 172.21 1j4a s THR 32 N -3.96 1.26 -2.55 -3.49 -1.32 -0.47 -4.95 115.64 100.17 1j4a s THR 32 Ca 0.17 -2.07 0.25 0.00 -1.21 0.00 0.00 61.69 58.83 1j4a s THR 32 Cb 0.01 -2.34 0.27 0.00 -1.51 0.00 0.00 72.50 68.92 1j4a s THR 32 CO 0.02 -0.35 1.40 -0.90 -2.21 0.00 0.00 174.62 172.58 1j4a n ASP 33 N -0.46 2.18 -4.84 8.08 5.68 -1.26 -1.67 116.55 124.26 1j4a n ASP 33 Ca -0.06 -1.65 -0.32 0.00 -0.50 0.00 0.00 54.79 52.27 1j4a n ASP 33 Cb 0.63 0.10 -0.05 0.00 -1.14 0.00 0.00 41.12 40.67 1j4a n ASP 33 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1j4a s LYS 34 N -2.14 4.02 0.00 0.11 2.47 -1.26 -4.21 119.74 118.73 1j4a s LYS 34 Ca 0.29 0.91 0.00 0.00 -1.56 0.00 0.00 55.97 55.60 1j4a s LYS 34 Cb 0.20 -2.22 0.00 0.00 -1.46 0.00 0.00 37.83 34.35 1j4a s LYS 34 CO 0.38 -0.12 0.00 1.28 0.16 0.00 0.00 175.35 177.05 1j4a n LEU 35 N -1.12 0.00 -2.72 5.43 4.77 -1.26 -1.24 117.00 120.86 1j4a n LEU 35 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1j4a n LEU 35 Cb 0.54 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1j4a n LEU 35 CO 0.43 0.00 0.21 -0.11 -1.33 0.00 0.00 177.39 176.59 1j4a n LEU 36 N 0.00 -0.52 -4.91 2.23 7.94 -1.26 -4.77 117.00 115.71 1j4a n LEU 36 Ca 0.00 -3.67 -0.30 0.00 -1.11 0.00 0.00 56.01 50.93 1j4a n LEU 36 Cb 0.00 0.29 0.21 0.00 0.53 0.00 0.00 43.42 44.45 1j4a n LEU 36 CO 0.00 1.81 0.88 0.42 -1.11 0.00 0.00 177.39 179.39 1j4a s THR 37 N -1.20 1.96 -0.58 1.96 -4.23 -1.26 -4.93 115.64 107.36 1j4a s THR 37 Ca 0.25 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.72 1j4a s THR 37 Cb 0.41 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1j4a s THR 37 CO -0.04 0.00 1.72 -0.81 -0.54 0.00 0.00 174.62 174.96 1j4a n PRO 38 N -3.94 1.34 0.00 3.99 -0.05 -1.26 -4.49 135.00 130.59 1j4a n PRO 38 Ca 0.17 -1.10 0.00 0.00 -0.05 0.00 0.00 63.50 62.52 1j4a n PRO 38 Cb 0.59 -2.27 0.00 0.00 -0.05 0.00 0.00 33.50 31.77 1j4a n PRO 38 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 1j4a n GLU 39 N 4.41 0.27 0.04 0.54 0.28 -1.26 -4.97 120.64 119.95 1j4a n GLU 39 Ca 0.29 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.23 1j4a n GLU 39 Cb 0.09 -0.02 -0.11 0.00 1.43 0.00 0.00 31.44 32.83 1j4a n GLU 39 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1j4a h THR 40 N 0.00 1.21 0.00 3.84 1.35 -1.92 -3.43 112.91 113.96 1j4a h THR 40 Ca 0.00 -2.91 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 1j4a h THR 40 Cb 0.00 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1j4a h THR 40 CO 0.00 0.69 0.00 1.33 -0.25 0.00 0.00 175.52 177.29 1j4a n VAL 41 N -3.18 0.00 0.00 6.82 0.24 -1.26 0.12 118.33 121.07 1j4a n VAL 41 Ca -0.07 0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 1j4a n VAL 41 Cb 0.95 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1j4a n VAL 41 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j4a n ALA 42 N -1.70 0.00 -0.32 2.33 0.00 -1.26 2.71 120.51 122.26 1j4a n ALA 42 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1j4a n ALA 42 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 1j4a n ALA 42 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1j4a h LEU 43 N 0.00 0.49 -0.09 0.00 3.38 0.68 3.92 115.31 123.69 1j4a h LEU 43 Ca 0.00 0.14 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 1j4a h LEU 43 Cb 0.00 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1j4a h LEU 43 CO 0.00 0.06 -1.02 0.00 0.09 0.00 0.00 178.44 177.58 1j4a h ALA 44 N 1.70 0.35 -0.03 1.53 0.00 66.13 -3.42 119.26 185.51 1j4a h ALA 44 Ca 0.58 -0.82 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1j4a h ALA 44 Cb 1.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1j4a h ALA 44 CO -0.49 1.02 0.87 1.17 0.00 0.00 0.00 179.25 181.81 1j4a n LYS 45 N -3.54 0.04 0.00 0.00 3.00 1.29 0.51 118.16 119.46 1j4a n LYS 45 Ca -0.04 -0.40 0.00 0.00 -0.00 0.00 0.00 58.31 57.87 1j4a n LYS 45 Cb 0.91 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 34.20 1j4a n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j4a n GLY 46 N 5.05 0.52 3.97 3.14 0.00 -1.26 -4.86 105.19 111.75 1j4a n GLY 46 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 3.98 0.00 4.61 0.00 1.90 -4.81 121.76 127.45 1j4a s ALA 47 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1j4a s ALA 47 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.26 1j4a s ALA 47 CO 0.00 -0.07 0.86 -0.25 0.00 0.00 0.00 175.76 176.30 1j4a n ASP 48 N -1.73 1.50 0.00 0.00 9.92 1.35 -4.81 116.55 122.78 1j4a n ASP 48 Ca -0.02 -1.73 0.00 0.00 -0.53 0.00 0.00 54.79 52.51 1j4a n ASP 48 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 1j4a n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j4a n GLY 49 N -0.37 2.24 3.52 0.44 0.00 -0.97 -4.60 105.19 105.45 1j4a n GLY 49 Ca 0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 1j4a n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j4a s VAL 50 N -2.00 2.31 -0.12 1.61 -7.23 -1.24 -0.49 120.40 113.24 1j4a s VAL 50 Ca 0.00 -2.27 -0.02 0.00 -1.81 0.00 0.00 61.98 57.89 1j4a s VAL 50 Cb 0.00 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.44 1j4a s VAL 50 CO 0.00 -0.27 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.83 1j4a s VAL 51 N -2.58 0.61 0.51 1.32 1.01 0.29 -0.23 120.40 121.32 1j4a s VAL 51 Ca 0.32 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1j4a s VAL 51 Cb 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 1j4a s VAL 51 CO 0.16 0.13 0.14 0.68 0.00 0.00 0.00 175.10 176.21 1j4a s VAL 52 N 1.86 1.43 -0.30 2.92 -7.23 0.19 -0.92 120.40 118.35 1j4a s VAL 52 Ca 0.03 -1.82 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 1j4a s VAL 52 Cb -0.14 -2.25 0.18 0.00 0.56 0.00 0.00 36.38 34.73 1j4a s VAL 52 CO -0.07 0.00 1.15 -0.47 -0.31 0.00 0.00 175.10 175.40 1j4a s TYR 53 N -2.82 -0.35 0.00 2.82 5.04 -1.26 -1.20 117.35 119.58 1j4a s TYR 53 Ca 0.18 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 1j4a s TYR 53 Cb 0.01 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.53 1j4a s TYR 53 CO 0.11 -0.17 0.00 1.04 -1.34 0.00 0.00 175.55 175.18 1j4a n GLN 54 N 4.60 0.00 0.00 4.97 3.00 -1.26 -4.68 117.38 124.01 1j4a n GLN 54 Ca -0.09 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.98 1j4a n GLN 54 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.80 1j4a n GLN 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1j4a n GLN 55 N -0.42 1.59 -2.11 -1.09 6.02 -1.26 -4.92 117.38 115.19 1j4a n GLN 55 Ca 0.00 -1.00 -0.37 0.00 -0.01 0.00 0.00 57.00 55.61 1j4a n GLN 55 Cb 0.00 -1.30 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 1j4a n GLN 55 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1j4a s LEU 56 N -1.89 3.26 0.00 1.08 1.98 -1.26 -4.89 118.68 116.96 1j4a s LEU 56 Ca 0.15 0.08 -0.03 0.00 -2.89 0.00 0.00 54.13 51.44 1j4a s LEU 56 Cb 0.13 -2.54 -0.02 0.00 0.66 0.00 0.00 46.19 44.43 1j4a s LEU 56 CO 0.36 -2.34 0.08 -0.90 -1.89 0.00 0.00 176.35 171.66 1j4a n ASP 57 N 12.43 -0.02 -3.66 3.68 5.68 -1.26 -4.76 116.55 128.64 1j4a n ASP 57 Ca 0.21 0.10 -0.39 0.00 -0.50 0.00 0.00 54.79 54.21 1j4a n ASP 57 Cb 0.51 -0.08 0.01 0.00 -1.14 0.00 0.00 41.12 40.42 1j4a n ASP 57 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1j4a n TYR 58 N 0.10 2.79 -1.51 2.11 4.02 0.27 -4.90 117.16 120.04 1j4a n TYR 58 Ca 0.02 -2.80 -0.52 0.00 -0.01 0.00 0.00 57.90 54.58 1j4a n TYR 58 Cb 0.01 -1.11 -0.05 0.00 -0.02 0.00 0.00 39.34 38.17 1j4a n TYR 58 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1j4a n ILE 59 N 0.38 0.77 0.29 -0.72 5.41 -1.26 0.99 119.36 125.22 1j4a n ILE 59 Ca 0.38 -0.19 0.08 0.00 1.00 0.00 0.00 62.75 64.02 1j4a n ILE 59 Cb 0.30 -0.38 0.36 0.00 -0.71 0.00 0.00 39.64 39.22 1j4a n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1j4a n ALA 60 N 1.24 1.39 -0.36 -1.39 0.00 -1.26 -0.18 120.51 119.96 1j4a n ALA 60 Ca 0.18 0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.62 1j4a n ALA 60 Cb 0.19 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 1j4a n ALA 60 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1j4a h GLU 61 N 0.00 -0.04 0.15 0.00 5.08 -1.98 1.15 114.58 118.94 1j4a h GLU 61 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j4a h GLU 61 Cb 0.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1j4a h GLU 61 CO 0.00 -0.03 -0.13 1.15 -1.00 0.00 0.00 179.01 179.01 1j4a h THR 62 N -0.05 0.72 -0.10 1.13 2.02 -0.93 0.78 112.91 116.49 1j4a h THR 62 Ca 0.26 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.48 1j4a h THR 62 Cb 0.54 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1j4a h THR 62 CO -0.91 0.00 -0.13 -0.07 0.37 0.00 0.00 175.52 174.77 1j4a h LEU 63 N -0.29 -0.41 -0.37 2.58 4.07 0.41 -2.17 115.31 119.13 1j4a h LEU 63 Ca -0.00 0.08 0.04 0.00 0.08 0.00 0.00 57.88 58.07 1j4a h LEU 63 Cb 0.27 0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.15 1j4a h LEU 63 CO -0.02 -0.18 -0.29 -0.61 -1.08 0.00 0.00 178.44 176.27 1j4a h GLN 64 N -0.18 -0.08 -0.89 1.13 -0.00 0.17 0.68 115.11 115.95 1j4a h GLN 64 Ca 0.08 0.01 0.17 0.00 -0.00 0.00 0.00 58.65 58.91 1j4a h GLN 64 Cb 0.29 0.02 -0.17 0.00 0.00 0.00 0.00 27.48 27.62 1j4a h GLN 64 CO -0.20 -0.05 -0.25 0.00 0.00 0.00 0.00 178.83 178.33 1j4a n ALA 65 N -3.03 0.16 0.10 3.38 0.00 0.27 -0.05 120.51 121.34 1j4a n ALA 65 Ca -0.00 0.97 -0.16 0.00 0.00 0.00 0.00 53.44 54.24 1j4a n ALA 65 Cb 0.14 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 1j4a n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1j4a h LEU 66 N 0.00 -1.62 -0.69 0.00 3.38 -0.21 0.14 115.31 116.30 1j4a h LEU 66 Ca 0.41 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.62 1j4a h LEU 66 Cb 0.63 0.60 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 1j4a h LEU 66 CO -0.91 -0.55 0.38 0.00 0.09 0.00 0.00 178.44 177.44 1j4a h ALA 67 N -0.51 0.94 -0.32 1.53 0.00 0.16 0.86 119.26 121.92 1j4a h ALA 67 Ca -0.00 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1j4a h ALA 67 Cb 0.76 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1j4a h ALA 67 CO -0.31 0.04 0.22 -0.44 0.00 0.00 0.00 179.25 178.76 1j4a h ASP 68 N 0.68 0.05 -0.61 0.00 3.32 -0.05 0.45 116.42 120.26 1j4a h ASP 68 Ca 0.32 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.21 1j4a h ASP 68 Cb 0.24 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.68 1j4a h ASP 68 CO -0.21 0.03 0.20 0.59 -1.72 0.00 0.00 179.24 178.14 1j4a n ASN 69 N -4.46 4.48 -0.31 6.45 5.03 0.12 -4.85 115.26 121.71 1j4a n ASN 69 Ca 0.04 -2.99 -0.04 0.00 0.87 0.00 0.00 54.58 52.46 1j4a n ASN 69 Cb 0.36 -0.70 -0.02 0.00 -1.02 0.00 0.00 39.78 38.39 1j4a n ASN 69 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j4a n GLY 70 N 0.00 0.68 3.21 7.41 0.00 0.16 -3.85 105.19 112.80 1j4a n GLY 70 Ca 0.33 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.03 4.02 0.04 -0.61 -1.09 0.26 -4.83 121.20 116.95 1j4a s ILE 71 Ca 0.00 -1.74 0.00 0.00 -2.23 0.00 0.00 60.65 56.68 1j4a s ILE 71 Cb 0.00 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1j4a s ILE 71 CO 0.00 -0.68 0.00 0.41 -1.23 0.00 0.00 174.94 173.44 1j4a n THR 72 N 4.85 0.32 -2.08 2.92 -1.04 -1.26 -0.83 114.28 117.15 1j4a n THR 72 Ca -0.07 0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 1j4a n THR 72 Cb 0.41 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.55 1j4a n THR 72 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1j4a s LYS 73 N -2.00 4.24 0.34 -2.82 1.02 -1.26 -3.62 119.74 115.64 1j4a s LYS 73 Ca 0.00 2.14 -0.14 0.00 0.02 0.00 0.00 55.97 57.99 1j4a s LYS 73 Cb 0.00 -3.61 0.03 0.00 -0.52 0.00 0.00 37.83 33.73 1j4a s LYS 73 CO 0.00 -0.66 0.67 1.41 -0.92 0.00 0.00 175.35 175.85 1j4a s MET 74 N 2.63 1.99 -0.30 1.68 1.75 -0.97 -3.59 119.30 122.50 1j4a s MET 74 Ca 0.69 -1.39 -0.06 0.00 -1.25 0.00 0.00 55.69 53.68 1j4a s MET 74 Cb -0.35 0.57 0.17 0.00 2.84 0.00 0.00 34.83 38.06 1j4a s MET 74 CO 0.29 -0.90 0.71 -1.12 -0.65 0.00 0.00 175.02 173.35 1j4a s SER 75 N -3.07 -1.13 0.20 1.11 0.01 0.68 -4.51 113.70 107.00 1j4a s SER 75 Ca 0.18 0.96 -0.30 0.00 1.31 0.00 0.00 55.95 58.11 1j4a s SER 75 Cb -0.04 2.05 -0.08 0.00 0.21 0.00 0.00 66.02 68.16 1j4a s SER 75 CO 0.12 -0.21 1.18 -0.76 0.41 0.00 0.00 173.24 173.97 1j4a s LEU 76 N 2.84 4.47 0.06 2.44 1.43 -0.82 0.52 118.68 129.63 1j4a s LEU 76 Ca 0.09 2.23 0.24 0.00 -1.03 0.00 0.00 54.13 55.66 1j4a s LEU 76 Cb -0.13 -3.61 0.32 0.00 0.03 0.00 0.00 46.19 42.80 1j4a s LEU 76 CO -0.19 -0.33 1.27 0.54 0.23 0.00 0.00 176.35 177.88 1j4a n ARG 77 N 2.27 0.19 -2.62 1.70 1.74 -0.34 -3.69 116.66 115.91 1j4a n ARG 77 Ca 0.03 0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 57.00 1j4a n ARG 77 Cb 0.45 -1.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1j4a n ARG 77 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1j4a n ASN 78 N -1.87 1.72 -0.08 0.55 6.94 -1.26 -4.54 115.26 116.73 1j4a n ASN 78 Ca 0.04 -2.11 -0.10 0.00 -0.02 0.00 0.00 54.58 52.39 1j4a n ASN 78 Cb 0.40 -0.17 -0.05 0.00 -2.36 0.00 0.00 39.78 37.60 1j4a n ASN 78 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 1j4a h VAL 79 N 0.30 0.44 -1.83 3.53 2.07 -1.92 -1.75 116.25 117.09 1j4a h VAL 79 Ca -0.20 -1.47 -0.64 0.00 0.82 0.00 0.00 66.70 65.22 1j4a h VAL 79 Cb 0.83 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1j4a h VAL 79 CO 0.30 0.15 1.15 0.61 0.02 0.00 0.00 177.57 179.80 1j4a n GLY 80 N 1.59 1.22 2.47 2.17 0.00 -1.26 -4.74 105.19 106.65 1j4a n GLY 80 Ca -0.13 0.88 -0.26 0.00 0.00 0.00 0.00 46.02 46.50 1j4a n GLY 80 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1j4a n VAL 81 N 5.58 2.07 0.05 1.61 3.14 -1.26 -4.85 118.33 124.68 1j4a n VAL 81 Ca 0.26 -5.13 0.00 0.00 -2.96 0.00 0.00 64.34 56.51 1j4a n VAL 81 Cb 0.28 -1.91 0.00 0.00 -1.06 0.00 0.00 33.84 31.14 1j4a n VAL 81 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1j4a n ASP 82 N 0.71 0.86 -1.04 6.55 9.92 -1.26 -4.73 116.55 127.55 1j4a n ASP 82 Ca 0.29 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 1j4a n ASP 82 Cb 0.43 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 1j4a n ASP 82 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1j4a n ASN 83 N -3.38 1.42 -4.21 -2.24 2.85 -1.26 -4.48 115.26 103.95 1j4a n ASN 83 Ca 0.00 -0.95 -0.39 0.00 -0.11 0.00 0.00 54.58 53.13 1j4a n ASN 83 Cb 0.00 -0.24 -0.11 0.00 1.24 0.00 0.00 39.78 40.67 1j4a n ASN 83 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1j4a s ILE 84 N 0.58 3.86 -0.95 -1.44 -4.36 -1.26 0.96 121.20 118.58 1j4a s ILE 84 Ca 0.00 -1.62 -0.16 0.00 -0.26 0.00 0.00 60.65 58.60 1j4a s ILE 84 Cb 0.00 -3.44 -0.28 0.00 1.25 0.00 0.00 42.46 39.99 1j4a s ILE 84 CO 0.00 -0.55 2.31 -0.67 0.24 0.00 0.00 174.94 176.26 1j4a n ASP 85 N 4.80 -0.48 0.00 4.36 -0.08 0.28 -4.91 116.55 120.51 1j4a n ASP 85 Ca -0.08 -0.55 0.00 0.00 -1.51 0.00 0.00 54.79 52.65 1j4a n ASP 85 Cb 0.42 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 43.06 1j4a n ASP 85 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 1j4a n MET 86 N 6.72 0.74 0.00 -0.67 0.00 -1.26 -3.40 117.12 119.25 1j4a n MET 86 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.33 1j4a n MET 86 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.40 1j4a n MET 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1j4a n ALA 87 N -3.00 0.00 -0.32 -5.12 0.00 -1.26 0.41 120.51 111.22 1j4a n ALA 87 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1j4a n ALA 87 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.02 1j4a n ALA 87 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j4a n LYS 88 N 0.00 -0.06 -0.05 0.00 4.01 -1.25 0.43 118.16 121.24 1j4a n LYS 88 Ca 0.00 1.31 -0.16 0.00 -0.51 0.00 0.00 58.31 58.95 1j4a n LYS 88 Cb 0.00 -2.37 -0.13 0.00 -0.51 0.00 0.00 35.03 32.02 1j4a n LYS 88 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1j4a h ALA 89 N 1.87 0.00 0.00 7.82 0.00 0.82 -2.38 119.26 127.40 1j4a h ALA 89 Ca 0.81 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1j4a h ALA 89 Cb 2.20 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 20.06 1j4a h ALA 89 CO -0.71 0.13 -0.14 -0.22 0.00 0.00 0.00 179.25 178.31 1j4a h LYS 90 N -0.86 0.00 -0.03 0.00 3.64 -0.89 2.90 116.57 121.32 1j4a h LYS 90 Ca -0.05 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1j4a h LYS 90 Cb 1.16 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1j4a h LYS 90 CO 0.02 0.14 -0.43 1.49 -2.27 0.00 0.00 179.45 178.40 1j4a h GLU 91 N 0.00 -0.50 -0.03 1.90 4.57 0.87 -3.07 114.58 118.31 1j4a h GLU 91 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1j4a h GLU 91 Cb 0.37 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1j4a h GLU 91 CO 0.02 -0.34 0.00 1.28 -1.18 0.00 0.00 179.01 178.79 1j4a n LEU 92 N -4.87 0.76 -1.05 1.64 4.32 0.38 -4.75 117.00 113.43 1j4a n LEU 92 Ca -0.06 -0.28 0.00 0.00 -0.02 0.00 0.00 56.01 55.66 1j4a n LEU 92 Cb 0.31 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1j4a n LEU 92 CO 0.09 0.14 0.00 0.61 -1.22 0.00 0.00 177.39 177.01 1j4a n GLY 93 N 1.04 0.00 3.67 -0.72 0.00 -1.15 -4.99 105.19 103.04 1j4a n GLY 93 Ca 0.19 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.74 1j4a n GLY 93 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j4a n PHE 94 N -0.34 2.25 -3.51 1.61 3.01 0.88 -4.81 117.46 116.55 1j4a n PHE 94 Ca 0.00 0.21 -0.42 0.00 1.01 0.00 0.00 57.45 58.25 1j4a n PHE 94 Cb 0.00 -2.57 -0.10 0.00 -0.01 0.00 0.00 39.48 36.80 1j4a n PHE 94 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1j4a s GLN 95 N 1.89 3.12 0.02 -1.08 -0.21 -1.24 -4.65 119.66 117.51 1j4a s GLN 95 Ca 0.84 -0.90 0.03 0.00 0.02 0.00 0.00 55.36 55.35 1j4a s GLN 95 Cb -0.70 -3.86 -0.01 0.00 1.00 0.00 0.00 33.01 29.43 1j4a s GLN 95 CO 0.43 -0.63 -0.10 0.42 -2.12 0.00 0.00 175.29 173.28 1j4a s ILE 96 N 1.67 0.81 0.03 1.08 1.01 -1.26 -2.28 121.20 122.25 1j4a s ILE 96 Ca 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.06 1j4a s ILE 96 Cb -0.18 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 1j4a s ILE 96 CO 0.09 0.05 -0.09 0.42 0.00 0.00 0.00 174.94 175.41 1j4a s THR 97 N -0.59 3.47 0.09 2.92 -4.23 -1.26 0.18 115.64 116.22 1j4a s THR 97 Ca 0.01 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 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 0.32 0.03 -0.46 -0.54 0.00 0.00 174.62 173.97 1j4a n ASN 98 N 1.37 1.29 -3.70 3.99 6.94 -0.98 -1.94 115.26 122.23 1j4a n ASN 98 Ca -0.15 -1.48 -0.29 0.00 -0.02 0.00 0.00 54.58 52.64 1j4a n ASN 98 Cb 0.52 0.20 -0.13 0.00 -2.36 0.00 0.00 39.78 38.01 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 -1.77 1.48 0.27 3.53 1.01 -0.66 -4.71 120.40 119.56 1j4a s VAL 99 Ca 0.04 -2.78 0.04 0.00 0.00 0.00 0.00 61.98 59.28 1j4a s VAL 99 Cb 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.39 1j4a s VAL 99 CO 0.03 -0.94 1.68 1.55 0.00 0.00 0.00 175.10 177.41 1j4a h PRO 100 N 6.46 0.36 -4.47 2.72 0.13 -1.89 -3.31 132.00 131.99 1j4a h PRO 100 Ca 0.04 -0.17 -0.55 0.00 -0.87 0.00 0.00 66.00 64.45 1j4a h PRO 100 Cb 0.90 -0.01 -0.36 0.00 0.13 0.00 0.00 31.00 31.67 1j4a h PRO 100 CO 0.50 0.69 -0.82 0.08 -0.23 0.00 0.00 178.00 178.23 1j4a s VAL 101 N -4.23 1.26 0.00 1.56 1.01 -1.26 -4.96 120.40 113.78 1j4a s VAL 101 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1j4a s VAL 101 Cb 0.13 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1j4a s VAL 101 CO 0.79 0.40 0.00 0.00 0.00 0.00 0.00 175.10 176.29 1j4a n TYR 102 N 4.60 0.00 0.00 5.22 0.18 -1.26 -4.96 117.16 120.94 1j4a n TYR 102 Ca -0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.62 1j4a n TYR 102 Cb 0.50 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.46 1j4a n TYR 102 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1j4a n SER 103 N -1.16 0.00 -0.12 9.48 2.88 -1.26 -4.32 113.62 119.11 1j4a n SER 103 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1j4a n SER 103 Cb 0.22 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.80 -0.65 -1.46 0.13 -1.97 -2.67 132.00 126.19 1j4a h PRO 104 Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1j4a h PRO 104 Cb 0.00 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 30.95 1j4a h PRO 104 CO 0.00 0.65 0.42 -0.91 -0.23 0.00 0.00 178.00 177.93 1j4a h ASN 105 N 0.80 0.75 -0.51 1.44 4.21 -1.94 -1.21 115.58 119.12 1j4a h ASN 105 Ca 0.19 -0.02 0.10 0.00 1.21 0.00 0.00 56.30 57.78 1j4a h ASN 105 Cb 0.14 -0.19 -0.08 0.00 -1.12 0.00 0.00 38.32 37.07 1j4a h ASN 105 CO -0.02 0.55 0.03 0.00 -1.29 0.00 0.00 177.43 176.70 1j4a h ALA 106 N 1.58 0.51 -0.07 -0.83 0.00 -1.75 0.47 119.26 119.17 1j4a h ALA 106 Ca 0.24 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1j4a h ALA 106 Cb -0.09 0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1j4a h ALA 106 CO -0.05 -0.37 -0.35 0.82 0.00 0.00 0.00 179.25 179.30 1j4a h ILE 107 N 0.14 1.42 -0.64 0.00 5.03 -1.41 -2.45 117.51 119.60 1j4a h ILE 107 Ca 0.26 -1.74 -0.04 0.00 -0.12 0.00 0.00 64.86 63.21 1j4a h ILE 107 Cb 0.38 2.31 -0.03 0.00 -3.03 0.00 0.00 36.82 36.46 1j4a h ILE 107 CO -0.40 0.50 0.24 0.00 -0.68 0.00 0.00 178.15 177.82 1j4a h ALA 108 N 0.43 0.83 -0.73 1.87 0.00 -1.02 -2.32 119.26 118.32 1j4a h ALA 108 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1j4a h ALA 108 Cb 1.00 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1j4a h ALA 108 CO 0.07 0.46 0.46 0.93 0.00 0.00 0.00 179.25 181.17 1j4a h GLU 109 N 0.90 0.98 -0.50 0.00 5.08 -0.09 -1.49 114.58 119.46 1j4a h GLU 109 Ca 0.21 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1j4a h GLU 109 Cb 0.22 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1j4a h GLU 109 CO -0.02 0.67 0.30 1.25 -1.00 0.00 0.00 179.01 180.22 1j4a h HIS 110 N 1.00 0.67 -0.58 4.33 2.76 -1.08 -0.61 115.15 121.63 1j4a h HIS 110 Ca 0.27 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 1j4a h HIS 110 Cb -0.08 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.64 1j4a h HIS 110 CO -0.02 0.47 0.38 0.00 -1.30 0.00 0.00 177.93 177.46 1j4a h ALA 111 N 1.14 0.73 -0.35 5.26 0.00 -1.19 -1.44 119.26 123.43 1j4a h ALA 111 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1j4a h ALA 111 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1j4a h ALA 111 CO -0.03 0.18 0.10 0.00 0.00 0.00 0.00 179.25 179.49 1j4a h ALA 112 N 1.20 0.46 -0.32 0.00 0.00 -0.74 -1.14 119.26 118.72 1j4a h ALA 112 Ca 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j4a h ALA 112 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1j4a h ALA 112 CO -0.04 0.11 0.19 0.82 0.00 0.00 0.00 179.25 180.33 1j4a h ILE 113 N 0.41 1.11 -0.57 0.00 2.04 -0.97 -1.30 117.51 118.23 1j4a h ILE 113 Ca 0.11 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1j4a h ILE 113 Cb 0.28 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1j4a h ILE 113 CO -0.00 0.10 -0.01 1.56 0.00 0.00 0.00 178.15 179.80 1j4a h GLN 114 N 0.41 0.99 0.08 2.37 1.08 -1.14 -0.92 115.11 117.98 1j4a h GLN 114 Ca 0.11 -0.30 -0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1j4a h GLN 114 Cb 0.00 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 1j4a h GLN 114 CO -0.02 0.98 -0.04 0.00 -0.95 0.00 0.00 178.83 178.79 1j4a h ALA 115 N 1.07 -0.11 -0.86 3.87 0.00 -1.09 -0.75 119.26 121.39 1j4a h ALA 115 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1j4a h ALA 115 Cb 0.54 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1j4a h ALA 115 CO 0.03 -0.56 0.55 0.00 0.00 0.00 0.00 179.25 179.27 1j4a h ALA 116 N 0.80 1.09 -0.67 0.00 0.00 -0.95 -1.55 119.26 117.98 1j4a h ALA 116 Ca -0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1j4a h ALA 116 Cb 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1j4a h ALA 116 CO 0.02 0.51 0.16 0.00 0.00 0.00 0.00 179.25 179.94 1j4a h ARG 117 N 1.17 1.08 -0.20 0.00 3.08 -1.03 -1.09 114.38 117.39 1j4a h ARG 117 Ca 0.31 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1j4a h ARG 117 Cb -0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1j4a h ARG 117 CO -0.06 0.97 0.10 0.82 -1.07 0.00 0.00 179.97 180.73 1j4a h ILE 118 N 1.01 1.12 -0.94 2.04 1.08 -0.53 -1.89 117.51 119.41 1j4a h ILE 118 Ca 0.21 -0.35 0.07 0.00 -0.39 0.00 0.00 64.86 64.40 1j4a h ILE 118 Cb 0.38 0.99 -0.07 0.00 -3.07 0.00 0.00 36.82 35.05 1j4a h ILE 118 CO 0.00 0.12 0.60 -0.07 -0.69 0.00 0.00 178.15 178.11 1j4a h LEU 119 N 0.21 0.95 -0.60 1.44 3.38 -1.19 -2.07 115.31 117.42 1j4a h LEU 119 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1j4a h LEU 119 Cb 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1j4a h LEU 119 CO -0.01 0.60 0.00 -0.09 0.09 0.00 0.00 178.44 179.03 1j4a h ARG 120 N 1.08 0.00 -5.07 1.13 9.65 -0.79 -0.91 114.38 119.47 1j4a h ARG 120 Ca 0.41 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.94 1j4a h ARG 120 Cb 0.19 0.00 0.11 0.00 -1.39 0.00 0.00 29.97 28.89 1j4a h ARG 120 CO -0.18 0.00 -0.59 1.04 2.80 0.00 0.00 179.97 183.04 1j4a n GLN 121 N -2.83 -6.63 -0.04 0.20 6.02 -0.76 -4.02 117.38 109.33 1j4a n GLN 121 Ca 0.03 0.75 -0.03 0.00 -0.01 0.00 0.00 57.00 57.74 1j4a n GLN 121 Cb 0.39 -5.49 0.22 0.00 1.02 0.00 0.00 30.24 26.38 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 -2.21 0.61 -0.50 1.08 3.32 -1.69 -1.34 116.42 115.68 1j4a h ASP 122 Ca -0.50 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.29 1j4a h ASP 122 Cb 1.33 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1j4a h ASP 122 CO 0.50 0.71 -0.11 0.50 -1.72 0.00 0.00 179.24 179.12 1j4a h LYS 123 N 0.59 0.99 -0.62 3.56 3.64 -1.81 0.11 116.57 123.02 1j4a h LYS 123 Ca 0.12 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 59.04 1j4a h LYS 123 Cb 0.45 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1j4a h LYS 123 CO 0.02 1.04 0.04 0.00 -2.27 0.00 0.00 179.45 178.28 1j4a h ALA 124 N 0.98 0.84 -0.26 5.00 0.00 -1.51 -1.92 119.26 122.39 1j4a h ALA 124 Ca 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1j4a h ALA 124 Cb 0.67 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1j4a h ALA 124 CO 0.05 0.65 0.11 1.98 0.00 0.00 0.00 179.25 182.04 1j4a h MET 125 N 0.98 0.38 -0.94 0.00 1.85 -0.98 -2.76 114.93 113.46 1j4a h MET 125 Ca 0.18 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1j4a h MET 125 Cb 0.52 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.44 1j4a h MET 125 CO 0.02 0.40 0.61 -0.44 -0.40 0.00 0.00 176.91 177.10 1j4a h ASP 126 N 0.27 1.10 -0.62 1.39 3.32 -0.60 -0.77 116.42 120.52 1j4a h ASP 126 Ca 0.09 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1j4a h ASP 126 Cb 0.15 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1j4a h ASP 126 CO -0.01 0.81 0.16 -0.33 -1.72 0.00 0.00 179.24 178.15 1j4a h GLU 127 N 1.29 1.01 -0.02 3.56 5.08 -1.24 -0.18 114.58 124.07 1j4a h GLU 127 Ca 0.34 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1j4a h GLU 127 Cb -0.12 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 1j4a h GLU 127 CO -0.07 0.89 0.00 0.87 -1.00 0.00 0.00 179.01 179.71 1j4a h LYS 128 N 0.97 0.04 -0.57 2.33 1.57 -1.16 -3.02 116.57 116.72 1j4a h LYS 128 Ca 0.21 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1j4a h LYS 128 Cb 0.34 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1j4a h LYS 128 CO -0.00 0.30 0.29 0.28 -0.57 0.00 0.00 179.45 179.76 1j4a h VAL 129 N -0.23 1.20 -0.02 0.50 2.07 -1.05 0.14 116.25 118.86 1j4a h VAL 129 Ca 0.01 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1j4a h VAL 129 Cb 0.28 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1j4a h VAL 129 CO 0.00 0.22 0.01 0.00 0.02 0.00 0.00 177.57 177.82 1j4a h ALA 130 N 1.13 1.99 -0.17 1.67 0.00 -1.06 0.62 119.26 123.45 1j4a h ALA 130 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1j4a h ALA 130 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j4a h ALA 130 CO -0.03 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.77 1j4a n ARG 131 N -4.54 1.91 -1.37 0.00 1.74 -0.88 -4.94 116.66 108.58 1j4a n ARG 131 Ca -0.03 -1.36 -0.04 0.00 -0.77 0.00 0.00 57.85 55.66 1j4a n ARG 131 Cb 0.09 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.08 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 0.59 -0.05 -2.93 -1.55 8.25 0.21 -4.99 115.22 114.75 1j4a n HIS 132 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 1j4a n HIS 132 Cb 0.41 -1.20 -0.05 0.00 1.12 0.00 0.00 29.99 30.27 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 -2.92 6.26 -0.28 0.41 2.15 0.41 -4.89 116.67 117.80 1j4a s ASP 133 Ca 0.00 -0.72 0.12 0.00 0.43 0.00 0.00 52.55 52.38 1j4a s ASP 133 Cb 0.00 -2.39 0.75 0.00 -0.30 0.00 0.00 42.92 40.98 1j4a s ASP 133 CO 0.00 -1.21 1.75 0.18 -0.17 0.00 0.00 175.17 175.72 1j4a n LEU 134 N 7.19 5.76 -4.72 -1.34 4.77 -1.26 -3.38 117.00 124.02 1j4a n LEU 134 Ca -0.02 -3.12 -0.41 0.00 -0.03 0.00 0.00 56.01 52.42 1j4a n LEU 134 Cb 0.46 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1j4a n LEU 134 CO 0.61 0.75 0.57 -0.13 -1.33 0.00 0.00 177.39 177.86 1j4a s ARG 135 N -2.92 4.52 0.05 3.23 0.52 -1.26 -4.97 118.95 118.12 1j4a s ARG 135 Ca 0.54 1.22 -0.19 0.00 -0.52 0.00 0.00 55.73 56.78 1j4a s ARG 135 Cb 0.43 -3.45 -0.14 0.00 0.52 0.00 0.00 34.95 32.31 1j4a s ARG 135 CO 0.14 0.02 1.33 0.11 0.02 0.00 0.00 175.30 176.91 1j4a h TRP 136 N 6.66 0.58 -4.03 -0.53 5.08 -1.97 -3.45 115.95 118.28 1j4a h TRP 136 Ca -0.41 -0.20 -0.49 0.00 1.08 0.00 0.00 58.89 58.88 1j4a h TRP 136 Cb 1.21 -0.11 0.04 0.00 -3.00 0.00 0.00 29.16 27.30 1j4a h TRP 136 CO 0.67 0.89 0.42 0.00 -1.28 0.00 0.00 178.44 179.13 1j4a s ALA 137 N -4.14 2.93 -0.37 0.11 0.00 -1.26 -2.07 121.76 116.96 1j4a s ALA 137 Ca -0.13 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1j4a s ALA 137 Cb 0.06 -3.30 0.58 0.00 0.00 0.00 0.00 23.12 20.46 1j4a s ALA 137 CO 0.79 -0.43 1.68 -0.35 0.00 0.00 0.00 175.76 177.44 1j4a n PRO 138 N -0.66 2.04 -1.87 0.00 -0.04 -1.26 -5.05 135.00 128.17 1j4a n PRO 138 Ca 0.08 -3.12 -0.42 0.00 -0.04 0.00 0.00 63.50 60.00 1j4a n PRO 138 Cb 0.50 -1.99 -0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.13 3.97 -2.86 0.52 -1.04 -0.88 -4.96 114.28 107.88 1j4a n THR 139 Ca 0.46 -3.46 -0.38 0.00 -2.04 0.00 0.00 64.05 58.63 1j4a n THR 139 Cb 1.33 -2.50 -0.06 0.00 -1.82 0.00 0.00 70.33 67.28 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 1.90 4.26 0.17 12.58 2.07 -1.26 -4.94 121.20 135.97 1j4a s ILE 140 Ca 0.48 1.79 0.02 0.00 -1.41 0.00 0.00 60.65 61.54 1j4a s ILE 140 Cb 0.14 -4.10 -0.04 0.00 0.13 0.00 0.00 42.46 38.59 1j4a s ILE 140 CO -0.06 0.33 0.31 -0.83 -1.91 0.00 0.00 174.94 172.79 1j4a s GLY 141 N -1.40 1.66 -0.23 1.50 0.00 -1.26 -4.67 107.32 102.91 1j4a s GLY 141 Ca 0.43 -1.02 -0.09 0.00 0.00 0.00 0.00 44.72 44.04 1j4a s GLY 141 CO 0.26 -1.02 0.10 0.50 0.00 0.00 0.00 173.10 172.95 1j4a s ARG 142 N -3.35 3.89 0.31 2.90 0.52 -0.35 -4.96 118.95 117.92 1j4a s ARG 142 Ca 0.35 -0.37 -0.28 0.00 -0.52 0.00 0.00 55.73 54.91 1j4a s ARG 142 Cb -0.11 -3.38 -0.10 0.00 0.52 0.00 0.00 34.95 31.88 1j4a s ARG 142 CO 0.29 0.02 1.16 -1.21 0.02 0.00 0.00 175.30 175.57 1j4a s GLU 143 N 1.11 4.47 0.27 3.54 2.02 -1.26 -4.04 118.70 124.81 1j4a s GLU 143 Ca 0.05 1.90 -0.04 0.00 0.02 0.00 0.00 54.97 56.91 1j4a s GLU 143 Cb -0.14 -3.07 0.34 0.00 0.10 0.00 0.00 34.13 31.37 1j4a s GLU 143 CO 0.04 0.03 1.93 0.28 0.02 0.00 0.00 175.26 177.56 1j4a h VAL 144 N 2.94 1.24 0.00 2.63 2.07 -1.93 -2.00 116.25 121.20 1j4a h VAL 144 Ca -0.48 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1j4a h VAL 144 Cb 1.22 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1j4a h VAL 144 CO 0.66 0.24 0.00 0.08 0.02 0.00 0.00 177.57 178.56 1j4a h ARG 145 N 1.22 0.00 -0.08 1.57 0.11 -1.84 -1.31 114.38 114.05 1j4a h ARG 145 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 1j4a h ARG 145 Cb -0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.98 1j4a h ARG 145 CO -0.07 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.75 1j4a n ASP 146 N -2.30 1.65 -4.91 0.08 8.00 -0.75 -4.26 116.55 114.05 1j4a n ASP 146 Ca 0.01 -1.60 -0.25 0.00 0.71 0.00 0.00 54.79 53.65 1j4a n ASP 146 Cb 0.17 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.91 3.30 -0.34 -1.24 -1.52 -0.49 -5.03 119.66 112.44 1j4a s GLN 147 Ca 0.36 -0.70 -0.12 0.00 -1.95 0.00 0.00 55.36 52.95 1j4a s GLN 147 Cb 0.20 -2.87 -0.01 0.00 -0.22 0.00 0.00 33.01 30.11 1j4a s GLN 147 CO 0.31 0.49 0.22 0.08 -0.25 0.00 0.00 175.29 176.14 1j4a s VAL 148 N -1.80 5.07 -0.28 1.09 1.01 -1.26 -2.41 120.40 121.83 1j4a s VAL 148 Ca 0.34 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 1j4a s VAL 148 Cb -0.10 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1j4a s VAL 148 CO 0.27 -0.01 0.10 -0.69 0.00 0.00 0.00 175.10 174.77 1j4a s VAL 149 N 1.68 4.33 -0.28 2.92 1.01 -0.10 0.74 120.40 130.71 1j4a s VAL 149 Ca 0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 1j4a s VAL 149 Cb -0.17 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1j4a s VAL 149 CO 0.09 0.20 0.24 -0.83 0.00 0.00 0.00 175.10 174.81 1j4a s GLY 150 N 1.59 1.92 -0.29 4.51 0.00 0.21 -1.19 107.32 114.07 1j4a s GLY 150 Ca 0.05 -1.00 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 1j4a s GLY 150 CO 0.04 0.74 0.13 0.14 0.00 0.00 0.00 173.10 174.15 1j4a s VAL 151 N 1.84 4.51 -0.53 1.40 1.01 0.24 -1.69 120.40 127.17 1j4a s VAL 151 Ca 0.09 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 1j4a s VAL 151 Cb -0.16 -3.24 0.09 0.00 0.00 0.00 0.00 36.38 33.07 1j4a s VAL 151 CO 0.11 0.16 0.59 -0.69 0.00 0.00 0.00 175.10 175.26 1j4a s VAL 152 N 1.61 4.97 0.00 2.92 1.01 -0.57 -1.29 120.40 129.06 1j4a s VAL 152 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1j4a s VAL 152 Cb -0.16 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1j4a s VAL 152 CO 0.05 -0.88 0.00 0.61 0.00 0.00 0.00 175.10 174.88 1j4a n GLY 153 N 5.23 2.20 2.35 4.51 0.00 -0.72 0.11 105.19 118.86 1j4a n GLY 153 Ca -0.10 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 1.33 2.85 -0.00 2.61 -2.24 -1.26 -4.22 114.28 113.35 1j4a n THR 154 Ca 0.00 -4.19 0.00 0.00 -2.27 0.00 0.00 64.05 57.59 1j4a n THR 154 Cb 0.00 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 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 -0.66 -1.15 0.07 3.38 0.00 -1.26 -4.59 105.19 100.99 1j4a n GLY 155 Ca 0.48 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 0.04 0.11 1.61 3.86 -1.96 -0.98 115.15 117.68 1j4a h HIS 156 Ca 0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1j4a h HIS 156 Cb 0.00 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1j4a h HIS 156 CO 0.00 0.02 -0.05 0.82 0.86 0.00 0.00 177.93 179.58 1j4a h ILE 157 N 0.07 1.01 -0.50 2.45 2.04 -1.93 -2.47 117.51 118.18 1j4a h ILE 157 Ca 0.04 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1j4a h ILE 157 Cb 0.03 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1j4a h ILE 157 CO -0.05 0.10 0.33 1.23 0.00 0.00 0.00 178.15 179.76 1j4a h GLY 158 N -0.34 0.59 1.23 5.37 0.00 -1.70 -1.10 103.07 107.11 1j4a h GLY 158 Ca -0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 1j4a h GLY 158 CO 0.02 0.16 -0.25 1.46 0.00 0.00 0.00 176.54 177.94 1j4a h GLN 159 N 0.49 0.88 -0.36 4.80 4.20 -1.05 -1.10 115.11 122.96 1j4a h GLN 159 Ca 0.21 -0.38 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 1j4a h GLN 159 Cb 0.21 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1j4a h GLN 159 CO -0.05 1.03 -0.07 0.28 -0.67 0.00 0.00 178.83 179.34 1j4a h VAL 160 N 0.75 1.27 -0.40 -0.54 2.07 -0.86 -1.98 116.25 116.56 1j4a h VAL 160 Ca 0.09 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.57 1j4a h VAL 160 Cb 0.80 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 1j4a h VAL 160 CO 0.07 0.37 -0.03 0.15 0.02 0.00 0.00 177.57 178.15 1j4a h PHE 161 N 0.49 -0.08 -0.62 1.57 3.57 -1.00 -0.81 116.94 120.06 1j4a h PHE 161 Ca 0.09 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.73 1j4a h PHE 161 Cb 0.57 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.33 1j4a h PHE 161 CO 0.05 -0.11 0.22 0.52 -2.23 0.00 0.00 178.31 176.76 1j4a h MET 162 N 0.07 0.38 -0.22 1.11 2.86 -0.98 -1.39 114.93 116.76 1j4a h MET 162 Ca 0.20 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1j4a h MET 162 Cb 0.29 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1j4a h MET 162 CO -0.36 0.25 0.13 0.37 1.06 0.00 0.00 176.91 178.37 1j4a h GLN 163 N 0.40 0.31 -0.42 1.72 4.15 -0.56 0.46 115.11 121.16 1j4a h GLN 163 Ca 0.32 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 1j4a h GLN 163 Cb 0.41 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1j4a h GLN 163 CO -0.32 0.25 0.25 0.82 -1.93 0.00 0.00 178.83 177.90 1j4a h ILE 164 N 0.27 1.14 -0.25 2.39 2.04 -0.91 -0.21 117.51 121.98 1j4a h ILE 164 Ca 0.08 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 1j4a h ILE 164 Cb 0.03 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1j4a h ILE 164 CO -0.01 0.14 -0.39 0.24 0.00 0.00 0.00 178.15 178.12 1j4a h MET 165 N 0.56 0.57 -0.32 2.37 2.86 -1.02 -1.67 114.93 118.28 1j4a h MET 165 Ca 0.15 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 1j4a h MET 165 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1j4a h MET 165 CO -0.03 0.87 -0.16 1.49 1.06 0.00 0.00 176.91 180.15 1j4a h GLU 166 N 0.47 0.56 -0.06 1.72 4.81 -0.77 -2.09 114.58 119.23 1j4a h GLU 166 Ca 0.04 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1j4a h GLU 166 Cb 0.89 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1j4a h GLU 166 CO 0.08 0.70 -0.02 0.78 -0.73 0.00 0.00 179.01 179.82 1j4a h GLY 167 N 0.97 0.09 2.00 1.92 0.00 -0.10 -0.72 103.07 107.22 1j4a h GLY 167 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1j4a h GLY 167 CO 0.04 0.04 0.00 0.74 0.00 0.00 0.00 176.54 177.35 1j4a h PHE 168 N 0.08 0.00 0.00 5.60 -1.00 -0.94 -3.47 116.94 117.21 1j4a h PHE 168 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1j4a h PHE 168 Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1j4a h PHE 168 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1j4a n GLY 169 N 0.52 1.00 3.82 -1.45 0.00 -0.28 -3.91 105.19 104.88 1j4a n GLY 169 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 2.92 -0.19 4.61 0.00 -0.99 -4.68 121.76 121.42 1j4a s ALA 170 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1j4a s ALA 170 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1j4a s ALA 170 CO 0.00 -0.39 1.28 0.21 0.00 0.00 0.00 175.76 176.87 1j4a s LYS 171 N -3.81 4.16 -0.16 0.00 2.20 -1.01 -4.48 119.74 116.64 1j4a s LYS 171 Ca 0.62 1.58 -0.05 0.00 -0.36 0.00 0.00 55.97 57.76 1j4a s LYS 171 Cb -0.13 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 1j4a s LYS 171 CO 0.29 -0.81 0.02 0.08 -0.36 0.00 0.00 175.35 174.56 1j4a s VAL 172 N 3.73 4.37 0.16 4.02 1.01 -1.26 -0.92 120.40 131.51 1j4a s VAL 172 Ca 0.56 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.42 1j4a s VAL 172 Cb -0.21 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1j4a s VAL 172 CO 0.17 0.49 -0.16 0.27 0.00 0.00 0.00 175.10 175.86 1j4a s ILE 173 N 0.25 1.64 0.05 2.22 -4.36 -0.34 -4.84 121.20 115.82 1j4a s ILE 173 Ca 0.01 -1.91 -0.02 0.00 -0.26 0.00 0.00 60.65 58.47 1j4a s ILE 173 Cb -0.13 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 1j4a s ILE 173 CO 0.02 -0.40 -0.00 0.28 0.24 0.00 0.00 174.94 175.07 1j4a s THR 174 N -2.26 0.19 -0.05 8.37 -1.32 0.13 -0.59 115.64 120.11 1j4a s THR 174 Ca 0.15 -1.54 -0.01 0.00 -1.21 0.00 0.00 61.69 59.08 1j4a s THR 174 Cb -0.04 -1.23 0.03 0.00 -1.51 0.00 0.00 72.50 69.75 1j4a s THR 174 CO 0.05 -0.85 0.02 -0.47 -2.21 0.00 0.00 174.62 171.16 1j4a s TYR 175 N -3.36 0.45 -0.10 9.09 5.04 -0.41 -0.88 117.35 127.17 1j4a s TYR 175 Ca 0.02 -0.02 -0.08 0.00 -2.44 0.00 0.00 57.07 54.54 1j4a s TYR 175 Cb 0.04 -0.64 0.03 0.00 0.35 0.00 0.00 41.96 41.74 1j4a s TYR 175 CO -0.08 -0.25 0.26 0.34 -1.34 0.00 0.00 175.55 174.48 1j4a s ASP 176 N 1.82 -0.28 0.33 4.32 -1.08 -1.26 -1.75 116.67 118.77 1j4a s ASP 176 Ca 0.02 0.53 0.07 0.00 -0.52 0.00 0.00 52.55 52.65 1j4a s ASP 176 Cb -0.12 0.50 0.59 0.00 -1.46 0.00 0.00 42.92 42.43 1j4a s ASP 176 CO -0.04 -0.11 1.81 0.40 0.52 0.00 0.00 175.17 177.75 1j4a h ILE 177 N 5.07 1.24 -3.52 4.11 2.04 -2.00 -3.35 117.51 121.10 1j4a h ILE 177 Ca -0.30 -1.10 -0.74 0.00 1.00 0.00 0.00 64.86 63.72 1j4a h ILE 177 Cb 1.18 1.35 -0.30 0.00 -0.74 0.00 0.00 36.82 38.32 1j4a h ILE 177 CO 0.35 0.34 -0.23 -0.36 0.00 0.00 0.00 178.15 178.26 1j4a s PHE 178 N -4.53 3.52 0.25 1.37 0.40 -1.26 -5.06 117.98 112.66 1j4a s PHE 178 Ca -0.06 -2.15 -0.30 0.00 -0.60 0.00 0.00 56.93 53.83 1j4a s PHE 178 Cb 0.14 -3.52 -0.09 0.00 0.51 0.00 0.00 43.02 40.07 1j4a s PHE 178 CO 0.76 -0.95 1.20 1.03 0.70 0.00 0.00 175.22 177.96 1j4a s ARG 179 N 0.56 4.51 -0.05 0.44 0.52 -1.26 -4.92 118.95 118.76 1j4a s ARG 179 Ca 0.13 1.93 -0.30 0.00 -0.52 0.00 0.00 55.73 56.97 1j4a s ARG 179 Cb -0.20 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 1j4a s ARG 179 CO -0.04 -0.02 1.20 1.21 0.02 0.00 0.00 175.30 177.67 1j4a s ASN 180 N -0.31 7.05 0.26 0.23 3.84 -1.26 -4.94 114.94 119.81 1j4a s ASN 180 Ca 0.50 1.82 -0.02 0.00 0.21 0.00 0.00 52.86 55.36 1j4a s ASN 180 Cb -0.34 -2.56 0.45 0.00 -0.55 0.00 0.00 41.25 38.25 1j4a s ASN 180 CO 0.41 -0.58 1.82 -0.65 -2.79 0.00 0.00 177.10 175.32 1j4a h PRO 181 N 7.44 0.86 -0.19 0.43 0.11 -1.99 0.51 132.00 139.18 1j4a h PRO 181 Ca -0.34 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 1j4a h PRO 181 Cb 1.16 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1j4a h PRO 181 CO 0.88 0.57 -0.07 1.49 -0.21 0.00 0.00 178.00 180.66 1j4a h GLU 182 N 0.89 0.39 -0.57 1.05 4.81 -2.00 -1.97 114.58 117.18 1j4a h GLU 182 Ca 0.43 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1j4a h GLU 182 Cb 0.38 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1j4a h GLU 182 CO -0.25 0.67 0.29 -0.07 -0.73 0.00 0.00 179.01 178.92 1j4a h LEU 183 N 0.10 0.70 -0.52 1.64 3.38 -1.91 -2.07 115.31 116.63 1j4a h LEU 183 Ca 0.05 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1j4a h LEU 183 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1j4a h LEU 183 CO 0.02 0.59 0.02 -0.08 0.09 0.00 0.00 178.44 179.08 1j4a h GLU 184 N 0.79 0.91 -0.74 1.13 4.81 -0.64 -2.52 114.58 118.32 1j4a h GLU 184 Ca 0.20 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1j4a h GLU 184 Cb 0.05 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1j4a h GLU 184 CO -0.03 0.92 0.35 0.87 -0.73 0.00 0.00 179.01 180.39 1j4a h LYS 185 N 0.78 1.06 0.00 1.92 1.57 -1.00 -2.07 116.57 118.84 1j4a h LYS 185 Ca 0.15 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j4a h LYS 185 Cb 0.50 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1j4a h LYS 185 CO 0.02 0.83 0.00 1.63 -0.57 0.00 0.00 179.45 181.36 1j4a n LYS 186 N -4.32 0.51 -1.08 3.15 5.02 -0.81 -4.91 118.16 115.72 1j4a n LYS 186 Ca 0.07 0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 1j4a n LYS 186 Cb 0.14 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.48 0.41 0.18 0.72 0.00 -0.78 -4.96 105.19 101.25 1j4a n GLY 187 Ca 0.14 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 -3.67 1.61 0.05 -1.76 -3.46 116.97 109.74 1j4a h TYR 188 Ca -0.01 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 58.27 1j4a h TYR 188 Cb 0.10 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1j4a h TYR 188 CO 0.01 0.42 0.28 0.71 -1.05 0.00 0.00 178.16 178.53 1j4a s TYR 189 N -3.66 3.93 0.29 4.88 2.02 -1.26 -0.69 117.35 122.85 1j4a s TYR 189 Ca -0.00 1.79 0.04 0.00 -0.37 0.00 0.00 57.07 58.53 1j4a s TYR 189 Cb 0.12 -2.89 -0.03 0.00 -0.40 0.00 0.00 41.96 38.76 1j4a s TYR 189 CO 0.70 0.46 0.43 0.14 -1.57 0.00 0.00 175.55 175.71 1j4a s VAL 190 N -1.21 5.00 -0.51 0.71 -7.23 -0.06 -4.89 120.40 112.20 1j4a s VAL 190 Ca 0.40 -0.86 0.24 0.00 -1.81 0.00 0.00 61.98 59.95 1j4a s VAL 190 Cb -0.24 -3.78 0.28 0.00 0.56 0.00 0.00 36.38 33.21 1j4a s VAL 190 CO 0.29 -0.35 1.60 0.44 -0.31 0.00 0.00 175.10 176.76 1j4a h ASP 191 N 1.01 0.00 -5.22 4.85 3.32 -1.97 -3.45 116.42 114.96 1j4a h ASP 191 Ca -0.50 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.45 1j4a h ASP 191 Cb 1.23 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 1j4a h ASP 191 CO 0.60 0.01 -0.25 -0.94 -1.72 0.00 0.00 179.24 176.93 1j4a s SER 192 N -5.59 -0.01 0.30 6.45 1.04 -1.26 -5.02 113.70 109.61 1j4a s SER 192 Ca 0.07 -0.76 0.05 0.00 0.48 0.00 0.00 55.95 55.79 1j4a s SER 192 Cb 0.08 0.45 0.49 0.00 0.10 0.00 0.00 66.02 67.14 1j4a s SER 192 CO 0.66 -0.90 1.75 0.25 0.98 0.00 0.00 173.24 175.98 1j4a h LEU 193 N 2.50 0.37 -1.28 2.42 5.85 -1.99 -0.72 115.31 122.46 1j4a h LEU 193 Ca -0.31 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1j4a h LEU 193 Cb 1.23 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1j4a h LEU 193 CO 0.47 0.64 0.36 0.44 -0.34 0.00 0.00 178.44 180.01 1j4a h ASP 194 N 0.33 0.75 0.32 1.25 5.19 -1.99 0.51 116.42 122.78 1j4a h ASP 194 Ca 0.05 -0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 1j4a h ASP 194 Cb 0.65 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1j4a h ASP 194 CO 0.05 0.59 -0.46 0.44 -3.12 0.00 0.00 179.24 176.74 1j4a h ASP 195 N 0.86 0.19 -0.15 6.45 3.32 -1.54 -1.22 116.42 124.33 1j4a h ASP 195 Ca 0.22 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 1j4a h ASP 195 Cb -0.01 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1j4a h ASP 195 CO -0.04 0.62 -0.41 0.25 -1.72 0.00 0.00 179.24 177.95 1j4a h LEU 196 N 0.15 0.62 -1.08 1.55 6.46 -0.89 -2.63 115.31 119.49 1j4a h LEU 196 Ca 0.01 -0.58 -0.03 0.00 -0.12 0.00 0.00 57.88 57.15 1j4a h LEU 196 Cb 0.87 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 1j4a h LEU 196 CO 0.07 1.09 0.26 1.88 -0.62 0.00 0.00 178.44 181.12 1j4a h TYR 197 N 0.18 0.91 -0.22 1.25 0.05 -0.77 0.25 116.97 118.61 1j4a h TYR 197 Ca -0.01 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1j4a h TYR 197 Cb 1.02 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 1j4a h TYR 197 CO 0.10 0.70 0.15 -0.22 -1.05 0.00 0.00 178.16 177.83 1j4a h LYS 198 N 0.90 0.30 0.00 4.88 3.64 -1.18 -3.22 116.57 121.89 1j4a h LYS 198 Ca 0.21 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1j4a h LYS 198 Cb 0.16 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1j4a h LYS 198 CO -0.02 0.20 -0.96 0.00 -2.27 0.00 0.00 179.45 176.40 1j4a n GLN 199 N -4.93 1.01 -2.94 1.90 10.64 -0.92 -4.74 117.38 117.41 1j4a n GLN 199 Ca -0.03 -0.02 -0.37 0.00 -1.83 0.00 0.00 57.00 54.75 1j4a n GLN 199 Cb 0.03 -1.36 -0.06 0.00 -0.86 0.00 0.00 30.24 27.99 1j4a n GLN 199 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1j4a s ALA 200 N -2.76 3.34 -0.13 2.61 0.00 0.82 -4.76 121.76 120.88 1j4a s ALA 200 Ca 0.05 0.36 0.18 0.00 0.00 0.00 0.00 51.96 52.55 1j4a s ALA 200 Cb 0.13 -3.00 -0.24 0.00 0.00 0.00 0.00 23.12 20.01 1j4a s ALA 200 CO 0.74 0.26 0.39 -0.25 0.00 0.00 0.00 175.76 176.90 1j4a n ASP 201 N 0.90 0.32 -4.02 0.00 8.00 0.23 -4.35 116.55 117.62 1j4a n ASP 201 Ca -0.01 0.15 -0.23 0.00 0.71 0.00 0.00 54.79 55.40 1j4a n ASP 201 Cb 0.50 0.81 -0.16 0.00 -0.02 0.00 0.00 41.12 42.25 1j4a n ASP 201 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1j4a s VAL 202 N -2.76 1.00 -0.13 2.53 1.01 -0.76 -1.16 120.40 120.13 1j4a s VAL 202 Ca -0.07 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1j4a s VAL 202 Cb 0.08 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1j4a s VAL 202 CO 0.84 0.31 -0.19 -0.63 0.00 0.00 0.00 175.10 175.42 1j4a s ILE 203 N 0.39 1.84 -0.09 2.22 1.01 0.53 0.68 121.20 127.79 1j4a s ILE 203 Ca -0.08 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1j4a s ILE 203 Cb -0.12 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.71 1j4a s ILE 203 CO 0.02 0.51 -0.19 -0.55 0.00 0.00 0.00 174.94 174.72 1j4a s SER 204 N 0.86 2.57 -0.25 3.58 0.15 -0.68 -0.52 113.70 119.41 1j4a s SER 204 Ca -0.07 -0.46 -0.14 0.00 0.70 0.00 0.00 55.95 55.99 1j4a s SER 204 Cb -0.15 -1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.94 1j4a s SER 204 CO -0.01 0.11 0.31 -0.76 1.20 0.00 0.00 173.24 174.09 1j4a s LEU 205 N 0.46 4.07 -0.33 3.45 1.43 -0.77 -1.51 118.68 125.48 1j4a s LEU 205 Ca -0.17 0.25 0.16 0.00 -1.03 0.00 0.00 54.13 53.34 1j4a s LEU 205 Cb -0.17 -2.34 0.46 0.00 0.03 0.00 0.00 46.19 44.18 1j4a s LEU 205 CO 0.07 -0.10 1.03 1.41 0.23 0.00 0.00 176.35 178.99 1j4a n HIS 206 N 4.93 1.72 -4.28 0.29 8.25 0.12 -4.04 115.22 122.20 1j4a n HIS 206 Ca -0.10 -2.68 -0.17 0.00 -0.26 0.00 0.00 57.72 54.51 1j4a n HIS 206 Cb 0.51 -0.29 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 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 -3.83 1.43 0.59 1.59 -7.23 -1.24 -4.36 120.40 107.35 1j4a s VAL 207 Ca 0.33 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 1j4a s VAL 207 Cb 0.42 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 1j4a s VAL 207 CO -0.02 -0.58 1.08 -2.16 -0.31 0.00 0.00 175.10 173.11 1j4a s PRO 208 N -3.35 3.25 -1.35 4.82 0.04 -1.26 -4.56 135.00 132.58 1j4a s PRO 208 Ca 0.16 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 1j4a s PRO 208 Cb -0.01 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.61 1j4a s PRO 208 CO 0.04 -0.89 2.47 -0.40 0.04 0.00 0.00 177.00 178.26 1j4a n ASP 209 N -1.88 8.14 -4.61 6.66 5.75 -1.26 -4.81 116.55 124.55 1j4a n ASP 209 Ca 0.10 -3.07 -0.29 0.00 -0.01 0.00 0.00 54.79 51.52 1j4a n ASP 209 Cb 0.52 -1.39 0.20 0.00 -1.03 0.00 0.00 41.12 39.42 1j4a n ASP 209 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1j4a s VAL 210 N -0.74 2.21 0.23 2.12 -7.23 -1.26 -4.75 120.40 110.98 1j4a s VAL 210 Ca 0.56 0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 60.74 1j4a s VAL 210 Cb 0.19 -2.28 0.19 0.00 0.56 0.00 0.00 36.38 35.03 1j4a s VAL 210 CO -0.09 -0.09 1.77 -0.65 -0.31 0.00 0.00 175.10 175.73 1j4a h PRO 211 N -2.12 0.55 0.00 4.82 0.11 -1.99 -0.51 132.00 132.86 1j4a h PRO 211 Ca -0.54 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1j4a h PRO 211 Cb 1.31 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1j4a h PRO 211 CO 0.51 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 178.66 1j4a h ALA 212 N 1.46 1.00 -0.01 -0.75 0.00 -1.97 -2.55 119.26 116.44 1j4a h ALA 212 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1j4a h ALA 212 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1j4a h ALA 212 CO -0.30 0.00 -0.57 0.09 0.00 0.00 0.00 179.25 178.46 1j4a n ASN 213 N -2.37 1.81 -4.67 0.00 3.02 -0.21 -4.80 115.26 108.04 1j4a n ASN 213 Ca 0.01 -1.40 -0.42 0.00 -0.03 0.00 0.00 54.58 52.74 1j4a n ASN 213 Cb 0.20 0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 39.91 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 -2.58 3.43 -1.34 2.41 1.01 -0.96 -1.99 120.40 120.38 1j4a s VAL 214 Ca 0.17 0.60 -0.09 0.00 0.00 0.00 0.00 61.98 62.66 1j4a s VAL 214 Cb 0.18 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1j4a s VAL 214 CO 0.63 -0.04 1.13 1.41 0.00 0.00 0.00 175.10 178.22 1j4a n HIS 215 N 6.89 -2.78 0.21 5.22 8.25 0.51 -4.87 115.22 128.66 1j4a n HIS 215 Ca 0.17 0.97 0.07 0.00 -0.26 0.00 0.00 57.72 58.67 1j4a n HIS 215 Cb 0.42 -4.93 0.48 0.00 1.12 0.00 0.00 29.99 27.08 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 -2.58 0.00 -4.79 -0.41 3.00 -0.68 -3.36 114.93 106.11 1j4a h MET 216 Ca -0.56 0.00 -0.70 0.00 0.00 0.00 0.00 59.70 58.45 1j4a h MET 216 Cb 1.36 0.00 -0.19 0.00 0.00 0.00 0.00 31.60 32.77 1j4a h MET 216 CO 0.55 0.28 0.05 0.42 0.00 0.00 0.00 176.91 178.20 1j4a s ILE 217 N -4.00 4.88 0.37 -0.10 -1.09 -0.95 -4.64 121.20 115.66 1j4a s ILE 217 Ca -0.02 -0.75 -0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1j4a s ILE 217 Cb 0.13 -4.37 0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1j4a s ILE 217 CO 0.66 -0.92 0.51 -0.46 -1.23 0.00 0.00 174.94 173.50 1j4a n ASN 218 N 6.16 -1.41 -0.26 3.58 0.23 -1.26 -0.78 115.26 121.52 1j4a n ASN 218 Ca -0.08 -2.98 0.18 0.00 -0.53 0.00 0.00 54.58 51.17 1j4a n ASN 218 Cb 0.44 2.64 0.48 0.00 -2.08 0.00 0.00 39.78 41.25 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 2.05 0.48 -0.10 0.53 3.32 -1.93 -1.49 116.42 119.28 1j4a h ASP 219 Ca -0.28 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 1j4a h ASP 219 Cb 1.24 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1j4a h ASP 219 CO 0.38 0.19 -0.29 -0.08 -1.72 0.00 0.00 179.24 177.72 1j4a h GLU 220 N 0.48 0.38 -0.24 3.56 4.81 -1.96 -2.00 114.58 119.60 1j4a h GLU 220 Ca 0.48 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 1j4a h GLU 220 Cb 1.09 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1j4a h GLU 220 CO -0.20 0.89 -0.37 0.66 -0.73 0.00 0.00 179.01 179.26 1j4a h SER 221 N -0.07 0.56 -0.02 1.04 4.64 -1.74 -2.48 113.55 115.48 1j4a h SER 221 Ca -0.01 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 1j4a h SER 221 Cb 0.91 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1j4a h SER 221 CO 0.06 0.88 -0.14 0.40 -0.87 0.00 0.00 176.83 177.16 1j4a h ILE 222 N 0.45 1.20 0.00 0.95 2.04 -1.32 -0.70 117.51 120.14 1j4a h ILE 222 Ca 0.05 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 1j4a h ILE 222 Cb 0.85 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1j4a h ILE 222 CO 0.07 0.29 -0.44 0.00 0.00 0.00 0.00 178.15 178.07 1j4a h ALA 223 N 1.55 1.16 0.00 1.87 0.00 -1.07 -2.34 119.26 120.43 1j4a h ALA 223 Ca 0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1j4a h ALA 223 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1j4a h ALA 223 CO 0.03 0.55 -0.39 0.87 0.00 0.00 0.00 179.25 180.31 1j4a h LYS 224 N 0.00 0.00 -7.28 0.00 1.57 -0.91 -3.46 116.57 106.49 1j4a h LYS 224 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.26 1j4a h LYS 224 Cb 0.84 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.32 1j4a h LYS 224 CO 0.06 0.39 0.25 -1.64 -0.57 0.00 0.00 179.45 177.93 1j4a s MET 225 N -3.31 1.37 0.49 3.15 -1.94 -0.34 -4.03 119.30 114.68 1j4a s MET 225 Ca 0.02 1.33 -0.21 0.00 -1.71 0.00 0.00 55.69 55.13 1j4a s MET 225 Cb 0.09 -1.78 -0.08 0.00 2.01 0.00 0.00 34.83 35.07 1j4a s MET 225 CO 0.70 -2.32 1.07 0.15 -0.01 0.00 0.00 175.02 174.61 1j4a s LYS 226 N -4.75 3.75 0.29 2.03 1.02 -1.21 -4.97 119.74 115.90 1j4a s LYS 226 Ca 0.65 1.46 -0.30 0.00 0.02 0.00 0.00 55.97 57.79 1j4a s LYS 226 Cb -0.21 -2.14 -0.12 0.00 -0.52 0.00 0.00 37.83 34.84 1j4a s LYS 226 CO 0.58 -0.49 1.50 0.94 -0.92 0.00 0.00 175.35 176.95 1j4a n GLN 227 N -0.90 2.46 -1.11 1.68 -0.06 -1.26 -2.11 117.38 116.07 1j4a n GLN 227 Ca 0.09 0.87 -0.04 0.00 -2.00 0.00 0.00 57.00 55.93 1j4a n GLN 227 Cb 0.52 -2.59 -0.02 0.00 -4.06 0.00 0.00 30.24 24.09 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 1.83 -3.70 -4.72 1.69 10.43 -0.51 -4.99 116.55 116.58 1j4a n ASP 228 Ca 0.08 0.09 -0.38 0.00 2.57 0.00 0.00 54.79 57.15 1j4a n ASP 228 Cb 0.35 -1.53 0.05 0.00 1.84 0.00 0.00 41.12 41.84 1j4a n ASP 228 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1j4a n VAL 229 N -2.81 4.06 -4.11 2.53 3.14 -0.90 -4.01 118.33 116.22 1j4a n VAL 229 Ca -0.04 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.50 1j4a n VAL 229 Cb 0.16 -1.55 -0.14 0.00 -1.06 0.00 0.00 33.84 31.26 1j4a n VAL 229 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1j4a s VAL 230 N -1.34 3.35 -0.15 1.55 1.01 -0.31 -0.79 120.40 123.73 1j4a s VAL 230 Ca 0.75 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 1j4a s VAL 230 Cb -0.41 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1j4a s VAL 230 CO 0.47 0.45 -0.01 -0.63 0.00 0.00 0.00 175.10 175.38 1j4a s ILE 231 N 1.16 4.11 -0.06 2.22 1.01 -1.10 -0.35 121.20 128.19 1j4a s ILE 231 Ca 0.02 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1j4a s ILE 231 Cb -0.14 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1j4a s ILE 231 CO -0.01 0.50 -0.17 -0.69 0.00 0.00 0.00 174.94 174.56 1j4a s VAL 232 N 0.20 1.50 -0.23 2.92 1.01 0.33 -1.04 120.40 125.08 1j4a s VAL 232 Ca -0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1j4a s VAL 232 Cb -0.13 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 35.01 1j4a s VAL 232 CO 0.02 0.43 0.05 0.21 0.00 0.00 0.00 175.10 175.82 1j4a s ASN 233 N 0.28 3.27 -0.11 3.32 2.47 -0.31 -1.85 114.94 122.01 1j4a s ASN 233 Ca -0.10 -1.07 0.15 0.00 0.42 0.00 0.00 52.86 52.26 1j4a s ASN 233 Cb -0.14 -0.67 0.25 0.00 -1.45 0.00 0.00 41.25 39.24 1j4a s ASN 233 CO 0.04 -0.34 1.13 1.33 -3.72 0.00 0.00 177.10 175.54 1j4a n VAL 234 N 5.00 1.74 0.00 -5.21 0.24 -1.26 -1.53 118.33 117.30 1j4a n VAL 234 Ca -0.07 -2.02 0.00 0.00 -2.04 0.00 0.00 64.34 60.21 1j4a n VAL 234 Cb 0.45 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1j4a n VAL 234 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1j4a n SER 235 N -1.22 0.00 -3.84 -1.34 2.88 -1.26 -4.84 113.62 104.00 1j4a n SER 235 Ca 0.13 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.54 1j4a n SER 235 Cb 0.58 -0.10 -0.15 0.00 -0.75 0.00 0.00 64.21 63.79 1j4a n SER 235 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1j4a s ARG 236 N -0.20 0.07 0.18 -1.46 1.81 -1.26 -4.97 118.95 113.11 1j4a s ARG 236 Ca 0.00 0.06 -0.14 0.00 -1.72 0.00 0.00 55.73 53.93 1j4a s ARG 236 Cb 0.00 -0.19 0.16 0.00 -0.45 0.00 0.00 34.95 34.47 1j4a s ARG 236 CO 0.00 -0.07 1.72 0.78 -0.68 0.00 0.00 175.30 177.05 1j4a h GLY 237 N 6.68 0.54 1.66 -3.53 0.00 -1.85 -2.49 103.07 104.09 1j4a h GLY 237 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1j4a h GLY 237 CO 0.49 -0.06 0.00 -1.05 0.00 0.00 0.00 176.54 175.93 1j4a n PRO 238 N -5.11 0.15 0.26 4.80 -0.02 -1.26 -2.36 135.00 131.45 1j4a n PRO 238 Ca 0.04 0.19 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 1j4a n PRO 238 Cb 0.22 -1.50 0.67 0.00 -0.02 0.00 0.00 33.50 32.87 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 -8.39 2.45 3.38 -1.66 0.15 115.31 111.24 1j4a h LEU 239 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1j4a h LEU 239 Cb 0.14 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.59 1j4a h LEU 239 CO 0.00 0.14 -0.81 -0.69 0.09 0.00 0.00 178.44 177.16 1j4a s VAL 240 N -3.98 2.60 -0.64 1.22 1.01 -0.99 -1.69 120.40 117.92 1j4a s VAL 240 Ca -0.02 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 1j4a s VAL 240 Cb 0.12 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1j4a s VAL 240 CO 0.59 0.52 1.18 -0.62 0.00 0.00 0.00 175.10 176.77 1j4a s ASP 241 N 0.71 6.31 0.14 3.32 -1.08 0.04 -4.79 116.67 121.32 1j4a s ASP 241 Ca -0.07 -0.22 -0.18 0.00 -0.52 0.00 0.00 52.55 51.56 1j4a s ASP 241 Cb -0.16 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.75 1j4a s ASP 241 CO 0.01 -1.58 1.78 0.74 0.52 0.00 0.00 175.17 176.64 1j4a h THR 242 N 6.08 1.02 -0.70 1.71 2.02 -1.93 -2.10 112.91 119.02 1j4a h THR 242 Ca -0.26 -0.11 0.11 0.00 0.77 0.00 0.00 66.41 66.91 1j4a h THR 242 Cb 1.06 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 1j4a h THR 242 CO 1.21 0.06 0.46 0.44 0.37 0.00 0.00 175.52 178.06 1j4a h ASP 243 N 0.32 0.46 -0.06 4.18 3.32 -1.97 0.67 116.42 123.34 1j4a h ASP 243 Ca 0.11 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1j4a h ASP 243 Cb 0.01 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1j4a h ASP 243 CO -0.06 0.27 -0.33 0.00 -1.72 0.00 0.00 179.24 177.39 1j4a h ALA 244 N 1.65 0.94 -0.30 3.45 0.00 -1.75 -1.06 119.26 122.20 1j4a h ALA 244 Ca 0.33 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1j4a h ALA 244 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1j4a h ALA 244 CO -0.11 0.61 -0.17 0.28 0.00 0.00 0.00 179.25 179.87 1j4a h VAL 245 N 0.47 1.30 -0.29 0.00 2.07 -0.45 -2.18 116.25 117.17 1j4a h VAL 245 Ca 0.05 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1j4a h VAL 245 Cb 0.81 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1j4a h VAL 245 CO 0.07 0.41 0.12 0.40 0.02 0.00 0.00 177.57 178.59 1j4a h ILE 246 N 0.39 0.95 -0.96 4.57 2.04 -0.98 0.21 117.51 123.73 1j4a h ILE 246 Ca 0.06 -0.09 0.17 0.00 1.00 0.00 0.00 64.86 66.01 1j4a h ILE 246 Cb 0.70 0.67 -0.10 0.00 -0.74 0.00 0.00 36.82 37.35 1j4a h ILE 246 CO 0.05 0.05 0.57 0.03 0.00 0.00 0.00 178.15 178.84 1j4a h ARG 247 N 0.26 0.72 -0.12 2.37 3.08 -1.11 0.32 114.38 119.89 1j4a h ARG 247 Ca 0.12 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 1j4a h ARG 247 Cb 0.07 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1j4a h ARG 247 CO -0.11 0.48 -0.53 0.78 -1.07 0.00 0.00 179.97 179.52 1j4a h GLY 248 N 0.74 0.37 0.80 0.04 0.00 -0.65 -1.73 103.07 102.63 1j4a h GLY 248 Ca 0.54 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 1j4a h GLY 248 CO -0.37 0.37 -0.27 1.41 0.00 0.00 0.00 176.54 177.68 1j4a h LEU 249 N 0.26 0.50 -1.03 3.11 3.38 0.25 -0.98 115.31 120.80 1j4a h LEU 249 Ca 0.01 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.47 1j4a h LEU 249 Cb 1.01 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1j4a h LEU 249 CO 0.09 0.95 0.65 0.44 0.09 0.00 0.00 178.44 180.65 1j4a h ASP 250 N 0.08 1.09 1.78 -0.43 3.32 -0.29 -2.38 116.42 119.59 1j4a h ASP 250 Ca 0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1j4a h ASP 250 Cb 0.85 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1j4a h ASP 250 CO 0.06 0.76 -0.11 0.77 -1.72 0.00 0.00 179.24 179.00 1j4a h SER 251 N 1.27 0.00 0.00 6.45 4.64 -1.36 -3.47 113.55 121.09 1j4a h SER 251 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1j4a h SER 251 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1j4a h SER 251 CO -0.11 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1j4a n GLY 252 N 1.00 0.78 0.22 -0.77 0.00 -0.90 -4.95 105.19 100.58 1j4a n GLY 252 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 3.03 0.75 -5.30 1.61 1.63 -1.56 -3.41 116.57 113.32 1j4a h LYS 253 Ca 0.00 -0.62 -0.61 0.00 -0.85 0.00 0.00 60.65 58.57 1j4a h LYS 253 Cb 0.00 0.13 -0.13 0.00 -0.60 0.00 0.00 32.23 31.63 1j4a h LYS 253 CO 0.00 1.23 -0.26 0.42 -3.45 0.00 0.00 179.45 177.39 1j4a s ILE 254 N -3.73 5.22 0.20 2.00 -1.09 -0.47 -1.43 121.20 121.91 1j4a s ILE 254 Ca -0.10 0.59 -0.03 0.00 -2.23 0.00 0.00 60.65 58.88 1j4a s ILE 254 Cb 0.09 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1j4a s ILE 254 CO 0.90 0.24 1.54 0.15 -1.23 0.00 0.00 174.94 176.54 1j4a h PHE 255 N 7.60 0.70 -1.75 3.97 3.57 -1.10 -3.40 116.94 126.53 1j4a h PHE 255 Ca -0.35 -0.23 0.32 0.00 3.53 0.00 0.00 57.97 61.24 1j4a h PHE 255 Cb 1.16 -0.14 -0.10 0.00 2.79 0.00 0.00 35.95 39.67 1j4a h PHE 255 CO 0.70 0.94 0.83 0.20 -2.23 0.00 0.00 178.31 178.74 1j4a s GLY 256 N -4.08 -0.28 -0.09 2.40 0.00 -1.24 -4.87 107.32 99.15 1j4a s GLY 256 Ca -0.07 0.40 -0.04 0.00 0.00 0.00 0.00 44.72 45.01 1j4a s GLY 256 CO 0.83 1.99 0.21 -0.47 0.00 0.00 0.00 173.10 175.66 1j4a s TYR 257 N -2.31 -0.27 -0.22 1.90 5.04 -0.44 -2.71 117.35 118.35 1j4a s TYR 257 Ca 0.19 0.70 -0.05 0.00 -2.44 0.00 0.00 57.07 55.48 1j4a s TYR 257 Cb 0.03 -0.06 -0.02 0.00 0.35 0.00 0.00 41.96 42.26 1j4a s TYR 257 CO -0.02 -0.24 -0.00 0.00 -1.34 0.00 0.00 175.55 173.94 1j4a s ALA 258 N 1.61 2.96 -0.11 3.97 0.00 -0.21 -1.29 121.76 128.68 1j4a s ALA 258 Ca -0.05 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1j4a s ALA 258 Cb -0.11 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.23 1j4a s ALA 258 CO -0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 175.76 175.26 1j4a s MET 259 N 1.30 1.77 0.00 0.00 0.23 -0.43 -1.17 119.30 121.01 1j4a s MET 259 Ca 0.04 -0.36 0.19 0.00 -1.03 0.00 0.00 55.69 54.52 1j4a s MET 259 Cb -0.15 -1.70 -0.14 0.00 -1.53 0.00 0.00 34.83 31.31 1j4a s MET 259 CO 0.00 -0.21 0.84 -3.47 -2.03 0.00 0.00 175.02 170.16 1j4a n ASP 260 N 4.70 1.15 -4.18 -1.18 4.64 -0.58 -1.81 116.55 119.29 1j4a n ASP 260 Ca -0.15 -1.08 -0.17 0.00 -1.38 0.00 0.00 54.79 52.01 1j4a n ASP 260 Cb 0.50 0.85 -0.11 0.00 -1.04 0.00 0.00 41.12 41.32 1j4a n ASP 260 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1j4a s VAL 261 N -2.59 1.07 -0.20 5.18 -7.23 -1.23 -1.11 120.40 114.28 1j4a s VAL 261 Ca 0.10 -1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 58.69 1j4a s VAL 261 Cb 0.14 -1.20 0.06 0.00 0.56 0.00 0.00 36.38 35.95 1j4a s VAL 261 CO 0.68 -0.36 0.49 -0.47 -0.31 0.00 0.00 175.10 175.13 1j4a s TYR 262 N -1.76 -0.73 -0.20 2.82 5.04 -1.26 -4.69 117.35 116.57 1j4a s TYR 262 Ca 0.01 1.53 -0.29 0.00 -2.44 0.00 0.00 57.07 55.88 1j4a s TYR 262 Cb -0.07 0.36 -0.03 0.00 0.35 0.00 0.00 41.96 42.57 1j4a s TYR 262 CO 0.02 -0.39 1.56 -2.00 -1.34 0.00 0.00 175.55 173.40 1j4a s GLU 263 N 1.37 3.90 0.00 4.97 2.12 -1.26 -1.24 118.70 128.57 1j4a s GLU 263 Ca -0.09 1.70 0.00 0.00 0.36 0.00 0.00 54.97 56.94 1j4a s GLU 263 Cb -0.07 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.33 1j4a s GLU 263 CO -0.14 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 173.84 1j4a n GLY 264 N 4.45 1.01 0.11 -1.50 0.00 -1.26 -4.97 105.19 103.03 1j4a n GLY 264 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 3.06 0.00 -6.51 1.61 4.11 -1.60 -3.42 114.58 111.83 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 0.00 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.29 1j4a h GLU 265 CO 0.00 0.72 1.09 0.08 0.07 0.00 0.00 179.01 180.97 1j4a s VAL 266 N -2.96 2.57 0.00 -1.06 1.01 -1.26 -0.35 120.40 118.34 1j4a s VAL 266 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1j4a s VAL 266 Cb 0.09 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.40 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 4.18 1.14 0.79 4.51 0.00 -1.26 -4.80 105.19 109.74 1j4a n GLY 267 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 0.85 -1.89 -0.61 2.08 0.53 -4.92 119.36 113.40 1j4a n ILE 268 Ca 0.00 0.12 -0.39 0.00 0.56 0.00 0.00 62.75 63.03 1j4a n ILE 268 Cb 0.00 -1.69 0.01 0.00 -0.75 0.00 0.00 39.64 37.21 1j4a n ILE 268 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1j4a s PHE 269 N -2.19 2.56 -0.97 1.39 0.40 -0.02 -3.18 117.98 115.97 1j4a s PHE 269 Ca -0.09 1.34 0.00 0.00 -0.60 0.00 0.00 56.93 57.58 1j4a s PHE 269 Cb 0.02 -3.80 0.00 0.00 0.51 0.00 0.00 43.02 39.75 1j4a s PHE 269 CO 0.12 -2.61 0.00 -1.71 0.70 0.00 0.00 175.22 171.72 1j4a n ASN 270 N -0.24 -3.72 -4.16 1.36 5.15 -1.26 -4.95 115.26 107.44 1j4a n ASN 270 Ca 0.06 0.06 -0.16 0.00 -0.60 0.00 0.00 54.58 53.94 1j4a n ASN 270 Cb 0.43 -2.75 -0.11 0.00 -0.53 0.00 0.00 39.78 36.81 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 -4.09 0.79 -0.35 1.20 0.41 -1.19 -5.12 118.70 110.34 1j4a s GLU 271 Ca 0.00 -1.00 -0.18 0.00 -0.41 0.00 0.00 54.97 53.38 1j4a s GLU 271 Cb 0.00 -0.66 -0.00 0.00 -1.78 0.00 0.00 34.13 31.68 1j4a s GLU 271 CO 0.00 0.13 0.52 0.34 -0.49 0.00 0.00 175.26 175.77 1j4a s ASP 272 N -1.96 6.32 -0.08 -0.19 -1.08 -1.26 -4.93 116.67 113.49 1j4a s ASP 272 Ca -0.01 -0.03 0.13 0.00 -0.52 0.00 0.00 52.55 52.12 1j4a s ASP 272 Cb -0.08 -2.27 0.38 0.00 -1.46 0.00 0.00 42.92 39.49 1j4a s ASP 272 CO 0.01 -0.50 1.31 0.79 0.52 0.00 0.00 175.17 177.31 1j4a n TRP 273 N 5.77 0.62 -2.20 -5.34 7.02 -1.26 -4.99 117.44 117.06 1j4a n TRP 273 Ca -0.04 -0.69 -0.42 0.00 -1.02 0.00 0.00 57.50 55.33 1j4a n TRP 273 Cb 0.49 -0.16 -0.03 0.00 -2.42 0.00 0.00 31.31 29.19 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 -1.87 4.35 0.00 -0.99 2.12 -1.26 -2.10 118.70 118.95 1j4a s GLU 274 Ca 0.30 2.05 0.00 0.00 0.36 0.00 0.00 54.97 57.68 1j4a s GLU 274 Cb 0.22 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1j4a s GLU 274 CO 0.11 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1j4a n GLY 275 N 3.09 0.89 3.57 -1.50 0.00 -1.26 -5.03 105.19 104.95 1j4a n GLY 275 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1j4a n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4a s LYS 276 N -0.36 1.91 0.07 1.61 1.02 -0.89 -5.09 119.74 118.01 1j4a s LYS 276 Ca 0.00 -1.84 -0.31 0.00 0.02 0.00 0.00 55.97 53.85 1j4a s LYS 276 Cb 0.00 -1.81 -0.08 0.00 -0.52 0.00 0.00 37.83 35.43 1j4a s LYS 276 CO 0.00 0.17 1.50 -2.00 -0.92 0.00 0.00 175.35 174.09 1j4a s GLU 277 N -3.64 4.26 0.10 1.68 2.12 -1.26 -4.96 118.70 117.00 1j4a s GLU 277 Ca 0.33 2.16 -0.30 0.00 0.36 0.00 0.00 54.97 57.51 1j4a s GLU 277 Cb 0.00 -3.45 -0.06 0.00 0.26 0.00 0.00 34.13 30.89 1j4a s GLU 277 CO 0.17 -0.59 1.05 0.12 -0.54 0.00 0.00 175.26 175.47 1j4a s PHE 278 N 1.99 3.66 -0.41 5.30 5.36 -1.26 -4.94 117.98 127.68 1j4a s PHE 278 Ca 0.68 1.64 0.26 0.00 -0.96 0.00 0.00 56.93 58.55 1j4a s PHE 278 Cb -0.37 -3.19 0.97 0.00 -0.34 0.00 0.00 43.02 40.09 1j4a s PHE 278 CO 0.30 -0.32 1.78 -1.00 -1.46 0.00 0.00 175.22 174.51 1j4a h PRO 279 N 5.87 0.00 -2.70 10.12 0.13 -1.97 -3.42 132.00 140.03 1j4a h PRO 279 Ca -0.43 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.20 1j4a h PRO 279 Cb 1.21 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 1j4a h PRO 279 CO 0.74 0.00 -0.76 0.34 -0.23 0.00 0.00 178.00 178.09 1j4a s ASP 280 N -4.81 3.27 0.39 1.44 -1.08 -1.26 -5.01 116.67 109.60 1j4a s ASP 280 Ca 0.05 -1.22 0.07 0.00 -0.52 0.00 0.00 52.55 50.93 1j4a s ASP 280 Cb 0.09 -0.23 0.78 0.00 -1.46 0.00 0.00 42.92 42.11 1j4a s ASP 280 CO 0.50 -0.43 1.98 0.00 0.52 0.00 0.00 175.17 177.73 1j4a h ALA 281 N 8.38 1.57 -0.49 3.66 0.00 -2.00 -1.96 119.26 128.43 1j4a h ALA 281 Ca -0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1j4a h ALA 281 Cb 1.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1j4a h ALA 281 CO 0.42 0.33 0.14 -0.09 0.00 0.00 0.00 179.25 180.05 1j4a h ARG 282 N 0.44 0.77 -0.46 0.00 2.43 -1.99 -2.60 114.38 112.97 1j4a h ARG 282 Ca 0.11 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1j4a h ARG 282 Cb 0.15 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1j4a h ARG 282 CO -0.01 0.74 0.13 1.25 -1.51 0.00 0.00 179.97 180.57 1j4a h LEU 283 N 0.66 0.68 -1.06 3.80 5.85 -1.83 -2.17 115.31 121.25 1j4a h LEU 283 Ca 0.16 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1j4a h LEU 283 Cb 0.30 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1j4a h LEU 283 CO -0.00 0.72 0.63 0.00 -0.34 0.00 0.00 178.44 179.45 1j4a h ALA 284 N 0.99 1.38 -0.32 1.25 0.00 -1.32 0.60 119.26 121.85 1j4a h ALA 284 Ca 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1j4a h ALA 284 Cb 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1j4a h ALA 284 CO -0.00 0.52 0.11 0.22 0.00 0.00 0.00 179.25 180.10 1j4a h ASP 285 N 1.21 0.46 -0.64 0.00 3.58 -1.37 -2.68 116.42 116.98 1j4a h ASP 285 Ca 0.39 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 1j4a h ASP 285 Cb 0.02 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 1j4a h ASP 285 CO -0.12 0.52 0.33 -0.07 -2.88 0.00 0.00 179.24 177.02 1j4a h LEU 286 N 0.37 0.83 -0.72 2.28 3.38 -0.67 -2.36 115.31 118.41 1j4a h LEU 286 Ca 0.11 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1j4a h LEU 286 Cb 0.22 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1j4a h LEU 286 CO -0.01 0.71 0.41 0.40 0.09 0.00 0.00 178.44 180.04 1j4a h ILE 287 N 0.88 0.96 0.00 1.22 2.04 -0.79 -2.74 117.51 119.08 1j4a h ILE 287 Ca 0.22 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1j4a h ILE 287 Cb 0.09 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1j4a h ILE 287 CO -0.03 0.14 -0.15 0.00 0.00 0.00 0.00 178.15 178.10 1j4a n ALA 288 N -2.36 2.50 -1.76 1.87 0.00 -1.02 -4.76 120.51 114.98 1j4a n ALA 288 Ca 0.10 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 1j4a n ALA 288 Cb 0.19 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 -3.08 3.52 0.48 0.00 0.52 -0.92 -4.91 118.95 114.56 1j4a s ARG 289 Ca 0.11 2.26 0.29 0.00 -0.52 0.00 0.00 55.73 57.87 1j4a s ARG 289 Cb 0.14 -2.50 0.92 0.00 0.52 0.00 0.00 34.95 34.04 1j4a s ARG 289 CO 0.61 -0.89 1.82 -1.00 0.02 0.00 0.00 175.30 175.86 1j4a h PRO 290 N 2.03 0.00 -0.14 3.54 0.13 -1.90 -3.00 132.00 132.65 1j4a h PRO 290 Ca -0.51 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1j4a h PRO 290 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1j4a h PRO 290 CO 0.60 0.00 -0.08 0.27 -0.23 0.00 0.00 178.00 178.56 1j4a n ASN 291 N -3.02 2.75 -4.18 1.44 6.94 -1.26 -3.90 115.26 114.04 1j4a n ASN 291 Ca 0.02 -3.30 -0.25 0.00 -0.02 0.00 0.00 54.58 51.03 1j4a n ASN 291 Cb 0.40 -0.51 -0.15 0.00 -2.36 0.00 0.00 39.78 37.15 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 -2.98 1.44 -0.28 3.53 1.01 -1.14 -1.33 120.40 120.65 1j4a s VAL 292 Ca 0.38 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1j4a s VAL 292 Cb 0.33 -1.19 0.08 0.00 0.00 0.00 0.00 36.38 35.60 1j4a s VAL 292 CO 0.03 0.41 -0.00 -0.76 0.00 0.00 0.00 175.10 174.77 1j4a s LEU 293 N -0.43 3.29 -0.17 3.92 1.43 -0.41 -4.72 118.68 121.58 1j4a s LEU 293 Ca 0.07 -1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 51.48 1j4a s LEU 293 Cb -0.07 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 1j4a s LEU 293 CO -0.01 -0.30 0.20 -0.69 0.23 0.00 0.00 176.35 175.78 1j4a s VAL 294 N 1.24 5.37 -0.02 -1.59 1.01 -1.26 -1.31 120.40 123.84 1j4a s VAL 294 Ca 0.01 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1j4a s VAL 294 Cb -0.19 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1j4a s VAL 294 CO -0.10 0.44 -0.09 0.42 0.00 0.00 0.00 175.10 175.77 1j4a s THR 295 N 0.25 0.77 -1.54 3.92 -4.23 -0.75 -5.02 115.64 109.03 1j4a s THR 295 Ca 0.12 -0.37 -0.10 0.00 -1.18 0.00 0.00 61.69 60.16 1j4a s THR 295 Cb -0.12 -0.67 -0.03 0.00 1.34 0.00 0.00 72.50 73.02 1j4a s THR 295 CO 0.01 0.24 2.70 -0.81 -0.54 0.00 0.00 174.62 176.22 1j4a n PRO 296 N 3.17 3.64 -3.48 3.99 -0.04 -1.26 -4.12 135.00 136.91 1j4a n PRO 296 Ca -0.17 -2.49 -0.23 0.00 -0.04 0.00 0.00 63.50 60.57 1j4a n PRO 296 Cb 0.55 -2.88 0.06 0.00 -0.04 0.00 0.00 33.50 31.18 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 3.87 -1.89 -0.09 0.54 4.81 -0.27 -4.61 118.16 120.52 1j4a n LYS 297 Ca 0.70 0.66 0.03 0.00 -0.87 0.00 0.00 58.31 58.83 1j4a n LYS 297 Cb 0.27 -4.97 0.08 0.00 0.02 0.00 0.00 35.03 30.43 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 -3.75 0.80 -0.17 3.15 -2.24 -1.26 -4.66 114.28 106.16 1j4a n THR 298 Ca -0.09 -0.90 0.14 0.00 -2.27 0.00 0.00 64.05 60.93 1j4a n THR 298 Cb 0.61 0.63 0.48 0.00 -2.10 0.00 0.00 70.33 69.94 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 1.25 2.04 0.00 6.98 0.00 -1.90 -0.58 119.26 127.05 1j4a h ALA 299 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1j4a h ALA 299 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1j4a h ALA 299 CO 0.00 -0.24 -0.28 0.27 0.00 0.00 0.00 179.25 179.01 1j4a h PHE 300 N 0.47 0.00 -0.80 0.00 -5.15 -1.84 -3.18 116.94 106.43 1j4a h PHE 300 Ca 0.36 0.00 -0.64 0.00 -0.20 0.00 0.00 57.97 57.50 1j4a h PHE 300 Cb 0.76 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.85 1j4a h PHE 300 CO -0.00 0.28 2.08 0.98 -2.00 0.00 0.00 178.31 179.65 1j4a n TYR 301 N -3.25 4.41 -4.32 6.09 9.36 -0.23 -4.61 117.16 124.61 1j4a n TYR 301 Ca 0.02 -2.67 -0.17 0.00 3.32 0.00 0.00 57.90 58.40 1j4a n TYR 301 Cb 0.56 -2.64 -0.10 0.00 -0.63 0.00 0.00 39.34 36.54 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 5.07 1.27 0.34 2.97 -4.23 -1.26 -5.04 115.64 114.76 1j4a s THR 302 Ca 0.56 -2.08 0.06 0.00 -1.18 0.00 0.00 61.69 59.04 1j4a s THR 302 Cb 0.04 -2.15 0.14 0.00 1.34 0.00 0.00 72.50 71.87 1j4a s THR 302 CO 0.08 -0.51 1.86 0.71 -0.54 0.00 0.00 174.62 176.23 1j4a h THR 303 N 2.56 1.20 -0.11 3.99 1.35 -1.99 -0.67 112.91 119.25 1j4a h THR 303 Ca -0.38 -0.87 -0.01 0.00 -0.55 0.00 0.00 66.41 64.61 1j4a h THR 303 Cb 1.21 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 1j4a h THR 303 CO 0.64 0.28 0.05 -0.74 -0.25 0.00 0.00 175.52 175.50 1j4a h HIS 304 N 0.40 0.17 0.28 4.73 -0.00 -1.95 -1.50 115.15 117.28 1j4a h HIS 304 Ca 0.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1j4a h HIS 304 Cb 0.40 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 1j4a h HIS 304 CO 0.01 0.26 -0.13 0.00 -0.00 0.00 0.00 177.93 178.06 1j4a h ALA 305 N 0.90 -0.38 -0.68 5.26 0.00 -1.68 -2.31 119.26 120.38 1j4a h ALA 305 Ca 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1j4a h ALA 305 Cb 0.16 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1j4a h ALA 305 CO -0.00 -0.67 0.45 0.28 0.00 0.00 0.00 179.25 179.31 1j4a h VAL 306 N -0.47 1.14 -0.46 0.00 2.07 -1.17 0.93 116.25 118.31 1j4a h VAL 306 Ca -0.04 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1j4a h VAL 306 Cb 0.35 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1j4a h VAL 306 CO 0.06 0.16 0.06 -0.09 0.02 0.00 0.00 177.57 177.79 1j4a h ARG 307 N 0.88 0.76 -0.66 1.57 2.43 -1.17 -1.69 114.38 116.51 1j4a h ARG 307 Ca 0.26 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1j4a h ARG 307 Cb -0.04 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1j4a h ARG 307 CO -0.06 0.78 0.16 -0.91 -1.51 0.00 0.00 179.97 178.43 1j4a h ASN 308 N 0.62 0.97 -0.31 -3.80 2.35 -0.79 -2.33 115.58 112.29 1j4a h ASN 308 Ca 0.14 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1j4a h ASN 308 Cb 0.40 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1j4a h ASN 308 CO 0.01 0.94 0.15 0.24 -1.65 0.00 0.00 177.43 177.12 1j4a h MET 309 N 0.99 0.30 0.26 0.81 2.86 -0.38 -1.29 114.93 118.48 1j4a h MET 309 Ca 0.21 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1j4a h MET 309 Cb 0.34 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1j4a h MET 309 CO 0.00 0.20 -0.13 0.28 1.06 0.00 0.00 176.91 178.32 1j4a h VAL 310 N 0.31 0.00 -0.07 -2.22 2.07 -1.20 -2.85 116.25 112.30 1j4a h VAL 310 Ca 0.13 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1j4a h VAL 310 Cb 0.05 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.76 1j4a h VAL 310 CO -0.09 0.00 -0.31 0.58 0.02 0.00 0.00 177.57 177.77 1j4a h VAL 311 N -0.46 0.31 -0.94 2.57 2.07 -1.49 -0.85 116.25 117.46 1j4a h VAL 311 Ca -0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.62 1j4a h VAL 311 Cb 0.27 0.31 -0.09 0.00 -1.52 0.00 0.00 31.29 30.26 1j4a h VAL 311 CO 0.06 0.00 0.56 0.11 0.02 0.00 0.00 177.57 178.32 1j4a h LYS 312 N -0.42 0.81 0.28 1.57 1.57 -1.38 0.30 116.57 119.30 1j4a h LYS 312 Ca 0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1j4a h LYS 312 Cb 0.54 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1j4a h LYS 312 CO -0.30 0.53 -0.14 0.00 -0.57 0.00 0.00 179.45 178.97 1j4a h ALA 313 N 1.55 -0.38 -1.01 3.86 0.00 -1.09 -1.35 119.26 120.84 1j4a h ALA 313 Ca 0.49 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.33 1j4a h ALA 313 Cb 0.59 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1j4a h ALA 313 CO -0.31 -0.63 0.65 0.74 0.00 0.00 0.00 179.25 179.70 1j4a h PHE 314 N -0.55 1.20 -0.70 0.00 -1.00 -0.58 0.59 116.94 115.90 1j4a h PHE 314 Ca -0.04 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.78 1j4a h PHE 314 Cb 0.40 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 1j4a h PHE 314 CO -0.01 0.61 0.46 -0.44 -1.61 0.00 0.00 178.31 177.32 1j4a h ASP 315 N 1.17 0.81 1.54 2.17 3.32 -0.25 0.69 116.42 125.87 1j4a h ASP 315 Ca 0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1j4a h ASP 315 Cb 0.19 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1j4a h ASP 315 CO -0.18 0.59 0.00 0.78 -1.72 0.00 0.00 179.24 178.71 1j4a h ASN 316 N 0.95 0.00 0.01 6.45 2.35 0.24 -2.04 115.58 123.54 1j4a h ASN 316 Ca 0.26 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.79 1j4a h ASN 316 Cb -0.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1j4a h ASN 316 CO -0.06 0.00 -1.16 -1.13 -1.65 0.00 0.00 177.43 173.44 1j4a h ASN 317 N 0.00 0.02 -0.92 5.81 -0.73 0.14 -3.10 115.58 116.81 1j4a h ASN 317 Ca 0.00 -0.58 0.17 0.00 1.87 0.00 0.00 56.30 57.76 1j4a h ASN 317 Cb 0.77 -0.01 -0.08 0.00 0.27 0.00 0.00 38.32 39.28 1j4a h ASN 317 CO 0.00 1.46 0.59 0.25 -0.37 0.00 0.00 177.43 179.36 1j4a h LEU 318 N -0.95 0.58 0.37 0.34 5.85 0.32 0.23 115.31 122.06 1j4a h LEU 318 Ca -0.32 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1j4a h LEU 318 Cb 1.31 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1j4a h LEU 318 CO -0.17 0.26 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.68 1j4a h GLU 319 N 0.60 -0.48 -0.93 1.25 5.08 -1.52 -3.30 114.58 115.27 1j4a h GLU 319 Ca 0.48 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 59.13 1j4a h GLU 319 Cb 0.93 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 30.12 1j4a h GLU 319 CO -0.23 -0.32 0.08 -0.07 -1.00 0.00 0.00 179.01 177.48 1j4a h LEU 320 N -0.65 -0.34 -0.85 1.33 3.38 -1.15 0.25 115.31 117.27 1j4a h LEU 320 Ca -0.05 0.25 0.21 0.00 0.09 0.00 0.00 57.88 58.39 1j4a h LEU 320 Cb 0.38 0.42 -0.13 0.00 0.09 0.00 0.00 40.66 41.42 1j4a h LEU 320 CO 0.08 -0.30 0.26 0.58 0.09 0.00 0.00 178.44 179.15 1j4a h VAL 321 N 0.06 0.39 -0.72 1.22 2.07 -0.67 -0.68 116.25 117.93 1j4a h VAL 321 Ca 0.57 -0.09 -0.46 0.00 0.82 0.00 0.00 66.70 67.54 1j4a h VAL 321 Cb 1.17 0.11 -0.27 0.00 -1.52 0.00 0.00 31.29 30.78 1j4a h VAL 321 CO -0.83 0.05 0.08 -0.62 0.02 0.00 0.00 177.57 176.27 1j4a n GLU 322 N -5.17 2.58 -4.10 1.57 1.02 0.05 -4.97 120.64 111.63 1j4a n GLU 322 Ca 0.20 -3.46 -0.47 0.00 -0.02 0.00 0.00 57.16 53.42 1j4a n GLU 322 Cb 0.63 -2.11 0.02 0.00 -0.02 0.00 0.00 31.44 29.95 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 -0.96 -0.80 3.85 0.62 0.00 -0.26 -4.96 105.19 102.67 1j4a n GLY 323 Ca 0.48 0.32 -0.26 0.00 0.00 0.00 0.00 46.02 46.56 1j4a n GLY 323 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j4a s LYS 324 N -7.47 2.28 -0.26 1.61 2.47 -1.06 -5.00 119.74 112.30 1j4a s LYS 324 Ca 0.48 -1.95 -0.19 0.00 -1.56 0.00 0.00 55.97 52.74 1j4a s LYS 324 Cb -0.27 -2.06 -0.02 0.00 -1.46 0.00 0.00 37.83 34.02 1j4a s LYS 324 CO 0.96 -0.44 0.59 -2.00 0.16 0.00 0.00 175.35 174.62 1j4a s GLU 325 N -4.15 4.06 0.95 4.03 -6.30 -1.26 -4.64 118.70 111.39 1j4a s GLU 325 Ca 0.35 0.43 -0.13 0.00 -2.50 0.00 0.00 54.97 53.12 1j4a s GLU 325 Cb -0.01 -3.66 0.04 0.00 0.00 0.00 0.00 34.13 30.50 1j4a s GLU 325 CO 0.21 -0.42 0.43 0.00 0.02 0.00 0.00 175.26 175.51 1j4a n ALA 326 N 5.68 -2.54 -0.05 6.30 0.00 -1.26 -4.95 120.51 123.69 1j4a n ALA 326 Ca -0.02 -0.61 -0.16 0.00 0.00 0.00 0.00 53.44 52.65 1j4a n ALA 326 Cb 0.49 -1.81 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 1j4a n ALA 326 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1j4a h GLU 327 N -1.58 0.05 -2.27 0.00 5.08 -1.89 -3.43 114.58 110.55 1j4a h GLU 327 Ca -0.43 -0.09 -0.58 0.00 -1.00 0.00 0.00 59.36 57.26 1j4a h GLU 327 Cb 1.28 0.03 -0.38 0.00 0.50 0.00 0.00 28.75 30.18 1j4a h GLU 327 CO 0.34 1.04 -1.01 0.25 -1.00 0.00 0.00 179.01 178.64 1j4a n THR 328 N -4.51 -0.99 -1.82 1.13 -2.24 -1.26 -5.12 114.28 99.47 1j4a n THR 328 Ca -0.12 -3.64 -0.33 0.00 -2.27 0.00 0.00 64.05 57.69 1j4a n THR 328 Cb 0.56 -1.76 0.04 0.00 -2.10 0.00 0.00 70.33 67.07 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 -0.36 2.89 0.07 -0.78 0.04 -1.26 -2.31 135.00 133.29 1j4a s PRO 329 Ca 0.33 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.79 1j4a s PRO 329 Cb 0.08 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1j4a s PRO 329 CO -0.17 -1.18 0.02 0.08 0.04 0.00 0.00 177.00 175.79 1j4a s VAL 330 N -2.32 4.16 -0.17 -0.36 1.01 0.47 -4.77 120.40 118.43 1j4a s VAL 330 Ca 0.67 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 1j4a s VAL 330 Cb -0.20 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1j4a s VAL 330 CO 0.40 0.18 0.02 -0.54 0.00 0.00 0.00 175.10 175.16 1j4a s LYS 331 N -2.16 3.83 0.00 2.72 1.02 -1.26 -4.54 119.74 119.35 1j4a s LYS 331 Ca 0.25 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1j4a s LYS 331 Cb -0.12 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1j4a s LYS 331 CO 0.17 0.24 0.40 0.28 -0.92 0.00 0.00 175.35 175.53