#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1f s PHE 1 N 0.00 2.16 -0.98 -0.32 -0.71 -1.26 -4.71 117.98 112.15 1j1f s PHE 1 Ca 0.00 -0.39 0.10 0.00 -1.04 0.00 0.00 56.93 55.60 1j1f s PHE 1 Cb 0.00 -1.20 0.01 0.00 -1.21 0.00 0.00 43.02 40.62 1j1f s PHE 1 CO 0.00 0.25 0.67 -0.40 -1.34 0.00 0.00 175.22 174.40 1j1f n ASP 2 N 1.19 1.33 -2.99 1.98 5.68 0.43 -4.90 116.55 119.27 1j1f n ASP 2 Ca -0.18 -1.17 0.01 0.00 -0.50 0.00 0.00 54.79 52.95 1j1f n ASP 2 Cb 0.53 0.37 0.01 0.00 -1.14 0.00 0.00 41.12 40.89 1j1f n ASP 2 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1j1f n SER 3 N -0.09 -0.95 -4.06 -1.12 3.41 -1.22 -3.61 113.62 105.99 1j1f n SER 3 Ca 0.04 -1.27 -0.14 0.00 -0.26 0.00 0.00 58.87 57.24 1j1f n SER 3 Cb 0.22 1.49 -0.12 0.00 -0.26 0.00 0.00 64.21 65.54 1j1f n SER 3 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1j1f s PHE 4 N -2.47 0.70 -0.27 7.33 0.08 -0.06 -0.04 117.98 123.26 1j1f s PHE 4 Ca 0.21 -0.42 -0.03 0.00 0.12 0.00 0.00 56.93 56.81 1j1f s PHE 4 Cb -0.01 -0.42 0.02 0.00 -0.57 0.00 0.00 43.02 42.04 1j1f s PHE 4 CO 0.00 -0.05 -0.01 -1.58 -0.10 0.00 0.00 175.22 173.48 1j1f s TRP 5 N -1.13 3.12 -0.50 0.36 0.52 -0.40 -1.38 118.94 119.53 1j1f s TRP 5 Ca -0.07 -1.41 -0.16 0.00 0.02 0.00 0.00 56.10 54.48 1j1f s TRP 5 Cb -0.09 -2.13 0.08 0.00 -1.15 0.00 0.00 33.47 30.19 1j1f s TRP 5 CO 0.00 -0.69 0.48 0.12 0.02 0.00 0.00 176.95 176.88 1j1f s PHE 6 N 1.37 3.19 -0.29 -1.98 5.36 0.27 -0.55 117.98 125.36 1j1f s PHE 6 Ca 0.00 -0.93 -0.13 0.00 -0.96 0.00 0.00 56.93 54.92 1j1f s PHE 6 Cb -0.17 -3.41 -0.04 0.00 -0.34 0.00 0.00 43.02 39.06 1j1f s PHE 6 CO -0.02 -0.91 0.27 0.08 -1.46 0.00 0.00 175.22 173.18 1j1f s VAL 7 N 1.88 5.25 0.02 3.12 1.01 -0.03 -1.15 120.40 130.51 1j1f s VAL 7 Ca 0.06 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1j1f s VAL 7 Cb -0.24 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1j1f s VAL 7 CO 0.07 0.17 -0.02 -1.10 0.00 0.00 0.00 175.10 174.22 1j1f s GLN 8 N 1.88 2.66 0.10 2.72 -0.21 -0.54 -0.67 119.66 125.61 1j1f s GLN 8 Ca 0.10 -0.70 0.09 0.00 0.02 0.00 0.00 55.36 54.86 1j1f s GLN 8 Cb -0.16 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.22 1j1f s GLN 8 CO 0.11 0.60 -0.19 1.14 -2.12 0.00 0.00 175.29 174.83 1j1f s GLN 9 N -1.72 1.82 -0.54 2.91 -2.07 0.48 -1.48 119.66 119.06 1j1f s GLN 9 Ca 0.20 -1.15 -0.17 0.00 -1.82 0.00 0.00 55.36 52.43 1j1f s GLN 9 Cb -0.11 -2.11 0.11 0.00 -1.09 0.00 0.00 33.01 29.80 1j1f s GLN 9 CO 0.12 0.49 0.55 -0.46 -1.32 0.00 0.00 175.29 174.67 1j1f s TRP 10 N -1.09 3.16 0.23 9.60 -0.00 -0.15 -1.72 118.94 128.97 1j1f s TRP 10 Ca 0.17 -1.07 -0.16 0.00 -0.00 0.00 0.00 56.10 55.04 1j1f s TRP 10 Cb -0.11 -3.73 0.26 0.00 -0.00 0.00 0.00 33.47 29.90 1j1f s TRP 10 CO 0.09 -1.06 1.57 -1.35 -0.00 0.00 0.00 176.95 176.20 1j1f h PRO 11 N 8.96 -0.04 -0.70 5.86 0.11 -1.82 -1.79 132.00 142.58 1j1f h PRO 11 Ca -0.29 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.83 1j1f h PRO 11 Cb 1.10 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1j1f h PRO 11 CO 1.02 -0.03 0.46 -1.35 -0.21 0.00 0.00 178.00 177.89 1j1f h PRO 12 N -0.05 0.90 -0.34 1.05 0.11 -1.63 -1.55 132.00 130.49 1j1f h PRO 12 Ca 0.34 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.35 1j1f h PRO 12 Cb 0.60 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1j1f h PRO 12 CO -0.87 0.59 0.04 0.00 -0.21 0.00 0.00 178.00 177.56 1j1f h ALA 13 N 1.27 0.46 -0.11 -0.75 0.00 -1.73 -0.93 119.26 117.46 1j1f h ALA 13 Ca 0.27 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1j1f h ALA 13 Cb -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1j1f h ALA 13 CO -0.07 0.17 -0.06 0.28 0.00 0.00 0.00 179.25 179.57 1j1f h VAL 14 N 0.41 0.80 0.00 0.00 2.07 -1.09 -2.29 116.25 116.15 1j1f h VAL 14 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1j1f h VAL 14 Cb 0.37 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1j1f h VAL 14 CO 0.01 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.53 1j1f h SER 16 N 0.00 0.00 0.85 0.00 4.64 -0.55 -1.53 113.55 116.96 1j1f h SER 16 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j1f h SER 16 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1j1f h SER 16 CO 0.01 0.00 -0.64 0.49 -0.87 0.00 0.00 176.83 175.82 1j1f n PHE 17 N -2.84 0.55 -2.81 4.77 3.72 -1.13 -4.58 117.46 115.13 1j1f n PHE 17 Ca -0.02 0.16 -0.43 0.00 -0.05 0.00 0.00 57.45 57.11 1j1f n PHE 17 Cb 0.11 -0.65 -0.03 0.00 -0.94 0.00 0.00 39.48 37.96 1j1f n PHE 17 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1j1f s GLN 18 N -3.17 3.41 0.04 -1.08 0.74 -0.58 -4.85 119.66 114.17 1j1f s GLN 18 Ca 0.06 -1.23 0.08 0.00 0.05 0.00 0.00 55.36 54.31 1j1f s GLN 18 Cb 0.13 -4.72 0.34 0.00 1.10 0.00 0.00 33.01 29.87 1j1f s GLN 18 CO 0.72 -1.89 1.24 1.63 -0.55 0.00 0.00 175.29 176.44 1j1f n LYS 19 N 7.55 0.02 -3.79 1.67 4.76 -1.26 -4.74 118.16 122.37 1j1f n LYS 19 Ca 0.15 0.43 -0.11 0.00 -2.87 0.00 0.00 58.31 55.91 1j1f n LYS 19 Cb 0.48 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 32.04 1j1f n LYS 19 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1j1f s SER 20 N -3.15 -0.05 0.00 4.39 1.04 -1.26 -5.14 113.70 109.54 1j1f s SER 20 Ca 0.02 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1j1f s SER 20 Cb 0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1j1f s SER 20 CO 0.12 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1j1f n GLY 21 N 0.50 -1.40 3.84 7.32 0.00 -1.26 -4.96 105.19 109.23 1j1f n GLY 21 Ca -0.18 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 1j1f n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j1f s SER 22 N -3.37 6.06 -0.35 1.61 1.04 -1.26 -5.06 113.70 112.38 1j1f s SER 22 Ca 0.00 1.56 0.02 0.00 0.48 0.00 0.00 55.95 58.01 1j1f s SER 22 Cb 0.00 -2.49 0.19 0.00 0.10 0.00 0.00 66.02 63.81 1j1f s SER 22 CO 0.00 -0.98 0.74 0.00 0.98 0.00 0.00 173.24 173.97 1j1f h PRO 24 N 7.08 0.00 0.00 0.00 0.11 -1.79 -0.34 132.00 137.06 1j1f h PRO 24 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1j1f h PRO 24 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1j1f h PRO 24 CO 0.06 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.63 1j1f h GLY 25 N 0.00 0.00 2.00 -0.55 0.00 -1.30 -2.78 103.07 100.44 1j1f h GLY 25 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1j1f h GLY 25 CO -0.00 0.00 0.00 1.76 0.00 0.00 0.00 176.54 178.30 1j1f h SER 26 N 0.00 0.00 -0.01 0.19 0.02 -1.24 -2.43 113.55 110.08 1j1f h SER 26 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j1f h SER 26 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1j1f h SER 26 CO 0.00 0.00 -0.44 0.61 -1.14 0.00 0.00 176.83 175.86 1j1f n GLY 27 N -0.86 -0.16 3.82 -3.77 0.00 -1.05 -4.79 105.19 98.38 1j1f n GLY 27 Ca -0.01 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1j1f n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j1f s LEU 28 N -2.21 4.02 -0.14 0.99 1.43 -1.11 -5.00 118.68 116.68 1j1f s LEU 28 Ca 0.10 1.65 0.15 0.00 -1.03 0.00 0.00 54.13 54.99 1j1f s LEU 28 Cb 0.11 -4.38 0.34 0.00 0.03 0.00 0.00 46.19 42.30 1j1f s LEU 28 CO 0.45 -0.29 1.17 0.54 0.23 0.00 0.00 176.35 178.45 1j1f n ARG 29 N -0.39 1.12 -3.89 1.70 5.12 -1.26 -4.32 116.66 114.73 1j1f n ARG 29 Ca 0.06 -2.68 -0.09 0.00 -1.93 0.00 0.00 57.85 53.21 1j1f n ARG 29 Cb 0.53 -1.25 -0.08 0.00 -1.16 0.00 0.00 32.46 30.49 1j1f n ARG 29 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1j1f s THR 30 N -2.38 0.14 0.25 0.55 -1.32 -1.26 -5.10 115.64 106.52 1j1f s THR 30 Ca 0.32 -1.16 -0.30 0.00 -1.21 0.00 0.00 61.69 59.35 1j1f s THR 30 Cb 0.31 -1.15 -0.09 0.00 -1.51 0.00 0.00 72.50 70.06 1j1f s THR 30 CO -0.04 -0.64 1.13 -0.36 -2.21 0.00 0.00 174.62 172.50 1j1f s PHE 31 N -3.26 3.52 0.37 9.09 0.08 -1.26 -4.44 117.98 122.09 1j1f s PHE 31 Ca 0.00 1.62 0.05 0.00 0.12 0.00 0.00 56.93 58.72 1j1f s PHE 31 Cb 0.02 -3.33 -0.06 0.00 -0.57 0.00 0.00 43.02 39.08 1j1f s PHE 31 CO -0.08 -0.75 0.04 0.95 -0.10 0.00 0.00 175.22 175.28 1j1f s THR 32 N -0.81 1.43 0.01 0.64 -4.23 -0.70 -4.93 115.64 107.04 1j1f s THR 32 Ca 0.47 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.69 1j1f s THR 32 Cb -0.32 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1j1f s THR 32 CO 0.40 0.00 0.93 -0.63 -0.54 0.00 0.00 174.62 174.78 1j1f s ILE 33 N -3.07 4.84 -0.23 2.99 1.01 0.50 -0.39 121.20 126.85 1j1f s ILE 33 Ca 0.34 1.96 -0.17 0.00 0.00 0.00 0.00 60.65 62.78 1j1f s ILE 33 Cb 0.08 -4.28 -0.13 0.00 0.01 0.00 0.00 42.46 38.15 1j1f s ILE 33 CO 0.16 0.20 -0.13 1.57 0.00 0.00 0.00 174.94 176.74 1j1f n HIS 34 N 3.68 0.48 -3.72 3.97 -0.00 0.16 -4.69 115.22 115.09 1j1f n HIS 34 Ca 0.04 0.21 0.02 0.00 -0.00 0.00 0.00 57.72 57.99 1j1f n HIS 34 Cb 0.51 -0.96 0.00 0.00 -0.00 0.00 0.00 29.99 29.54 1j1f n HIS 34 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1j1f s GLY 35 N -5.07 -0.35 -0.30 1.57 0.00 -0.94 -5.00 107.32 97.23 1j1f s GLY 35 Ca -0.32 0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.99 1j1f s GLY 35 CO 0.49 1.85 -0.01 -2.27 0.00 0.00 0.00 173.10 173.17 1j1f s LEU 36 N -3.24 3.94 -0.36 0.66 2.96 -1.26 -0.85 118.68 120.52 1j1f s LEU 36 Ca 0.19 -1.78 -0.10 0.00 -0.22 0.00 0.00 54.13 52.21 1j1f s LEU 36 Cb 0.04 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.26 1j1f s LEU 36 CO -0.04 -0.31 0.19 0.26 -1.32 0.00 0.00 176.35 175.14 1j1f s TRP 37 N 1.07 3.24 0.43 5.38 0.51 0.29 -4.50 118.94 125.36 1j1f s TRP 37 Ca 0.03 -0.96 -0.26 0.00 -2.12 0.00 0.00 56.10 52.79 1j1f s TRP 37 Cb -0.19 -2.42 -0.09 0.00 -0.81 0.00 0.00 33.47 29.96 1j1f s TRP 37 CO -0.08 -0.64 1.42 -2.14 -0.51 0.00 0.00 176.95 175.00 1j1f s PRO 38 N 1.55 3.79 0.26 4.98 0.02 -1.26 -1.27 135.00 143.07 1j1f s PRO 38 Ca 0.02 2.41 0.11 0.00 0.02 0.00 0.00 61.00 63.56 1j1f s PRO 38 Cb -0.19 -2.72 -0.05 0.00 0.02 0.00 0.00 34.50 31.56 1j1f s PRO 38 CO 0.06 -0.73 -0.15 -0.65 -0.33 0.00 0.00 177.00 175.21 1j1f s GLN 39 N -2.36 1.84 -0.29 5.54 -1.52 0.95 -1.47 119.66 122.34 1j1f s GLN 39 Ca 0.59 -1.63 -0.06 0.00 -1.95 0.00 0.00 55.36 52.31 1j1f s GLN 39 Cb -0.43 -1.90 0.15 0.00 -0.22 0.00 0.00 33.01 30.61 1j1f s GLN 39 CO 0.56 0.35 0.61 -1.14 -0.25 0.00 0.00 175.29 175.42 1j1f s GLN 40 N -3.42 0.55 -1.36 2.91 2.00 -0.23 -0.43 119.66 119.69 1j1f s GLN 40 Ca 0.29 1.22 -0.07 0.00 -2.00 0.00 0.00 55.36 54.80 1j1f s GLN 40 Cb -0.06 0.67 0.01 0.00 0.80 0.00 0.00 33.01 34.43 1j1f s GLN 40 CO 0.16 -0.39 0.98 0.43 -0.50 0.00 0.00 175.29 175.96 1j1f n SER 41 N 5.44 -6.14 0.00 6.67 7.64 -1.26 -2.45 113.62 123.51 1j1f n SER 41 Ca -0.07 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1j1f n SER 41 Cb 0.50 -4.82 0.00 0.00 -1.01 0.00 0.00 64.21 58.88 1j1f n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j1f n GLY 42 N -1.82 0.59 3.18 0.23 0.00 -1.26 -5.03 105.19 101.09 1j1f n GLY 42 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 1j1f n GLY 42 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j1f s THR 43 N -2.42 1.07 0.11 2.61 -1.32 -1.03 -5.12 115.64 109.54 1j1f s THR 43 Ca 0.00 -1.49 -0.30 0.00 -1.21 0.00 0.00 61.69 58.69 1j1f s THR 43 Cb 0.00 -1.23 -0.07 0.00 -1.51 0.00 0.00 72.50 69.69 1j1f s THR 43 CO 0.00 -0.38 1.18 -0.44 -2.21 0.00 0.00 174.62 172.77 1j1f s SER 44 N -2.11 7.11 -0.13 8.08 0.01 -1.26 -1.06 113.70 124.33 1j1f s SER 44 Ca 0.02 2.09 -0.25 0.00 1.31 0.00 0.00 55.95 59.13 1j1f s SER 44 Cb -0.07 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 1j1f s SER 44 CO 0.02 -0.40 0.78 -0.76 0.41 0.00 0.00 173.24 173.28 1j1f s LEU 45 N 0.48 4.22 0.10 2.44 1.43 -0.54 -4.90 118.68 121.90 1j1f s LEU 45 Ca 0.56 1.17 0.05 0.00 -1.03 0.00 0.00 54.13 54.87 1j1f s LEU 45 Cb -0.30 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1j1f s LEU 45 CO 0.32 -0.30 -0.12 0.42 0.23 0.00 0.00 176.35 176.90 1j1f s THR 46 N 1.69 1.06 -1.33 5.49 -4.23 -1.26 -4.64 115.64 112.42 1j1f s THR 46 Ca 0.38 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1j1f s THR 46 Cb -0.17 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.36 1j1f s THR 46 CO 0.15 -0.45 0.77 0.59 -0.54 0.00 0.00 174.62 175.14 1j1f n ASN 47 N 0.72 -1.86 -4.79 3.99 3.02 0.22 -4.97 115.26 111.59 1j1f n ASN 47 Ca -0.17 -0.79 -0.37 0.00 -0.03 0.00 0.00 54.58 53.22 1j1f n ASN 47 Cb 0.57 -4.14 -0.06 0.00 -0.61 0.00 0.00 39.78 35.53 1j1f n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j1f s PRO 49 N -1.94 4.16 0.04 0.00 0.02 -1.26 -4.66 135.00 131.36 1j1f s PRO 49 Ca 0.47 2.50 -0.06 0.00 0.02 0.00 0.00 61.00 63.93 1j1f s PRO 49 Cb -0.19 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.28 1j1f s PRO 49 CO 0.24 -0.63 0.30 0.41 -0.33 0.00 0.00 177.00 176.99 1j1f n GLY 50 N 2.95 1.03 3.77 0.52 0.00 -1.26 -4.88 105.19 107.31 1j1f n GLY 50 Ca 0.11 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 1j1f n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j1f s SER 51 N -1.71 6.29 0.65 1.61 0.01 -1.26 -4.98 113.70 114.30 1j1f s SER 51 Ca 0.07 2.57 -0.17 0.00 1.31 0.00 0.00 55.95 59.73 1j1f s SER 51 Cb -0.01 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 1j1f s SER 51 CO 0.01 -0.86 1.17 -2.84 0.41 0.00 0.00 173.24 171.13 1j1f s PRO 52 N -2.32 2.70 0.26 12.44 0.02 -1.26 -4.90 135.00 141.94 1j1f s PRO 52 Ca 0.58 1.65 -0.31 0.00 0.02 0.00 0.00 61.00 62.94 1j1f s PRO 52 Cb -0.36 -1.91 -0.12 0.00 0.02 0.00 0.00 34.50 32.13 1j1f s PRO 52 CO 0.45 -1.37 1.59 0.34 -0.33 0.00 0.00 177.00 177.68 1j1f n PHE 53 N -2.16 2.69 -3.74 6.54 7.35 -1.26 -4.97 117.46 121.91 1j1f n PHE 53 Ca 0.12 0.24 -0.30 0.00 -0.76 0.00 0.00 57.45 56.75 1j1f n PHE 53 Cb 0.51 -2.59 -0.15 0.00 0.35 0.00 0.00 39.48 37.60 1j1f n PHE 53 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1j1f s ASP 54 N 0.64 3.97 0.57 -2.13 -1.08 -1.26 -5.00 116.67 112.38 1j1f s ASP 54 Ca 0.68 -1.58 0.27 0.00 -0.52 0.00 0.00 52.55 51.40 1j1f s ASP 54 Cb -0.53 -0.86 1.55 0.00 -1.46 0.00 0.00 42.92 41.62 1j1f s ASP 54 CO 0.44 -0.41 2.05 -0.29 0.52 0.00 0.00 175.17 177.49 1j1f h ILE 55 N 6.50 0.54 0.00 4.11 6.09 -1.99 -1.07 117.51 131.68 1j1f h ILE 55 Ca -0.14 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.34 1j1f h ILE 55 Cb 1.02 0.79 -0.00 0.00 0.47 0.00 0.00 36.82 39.10 1j1f h ILE 55 CO 0.46 0.00 -0.04 0.71 -3.07 0.00 0.00 178.15 176.22 1j1f h THR 56 N 0.00 0.14 0.00 2.19 1.35 -2.00 -2.35 112.91 112.24 1j1f h THR 56 Ca 0.14 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1j1f h THR 56 Cb 0.68 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1j1f h THR 56 CO -0.00 0.04 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 1j1f h LYS 57 N 0.00 0.00 0.00 4.72 1.79 -1.63 -3.27 116.57 118.19 1j1f h LYS 57 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1j1f h LYS 57 Cb 0.38 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1j1f h LYS 57 CO 0.00 0.00 -0.15 0.44 -1.08 0.00 0.00 179.45 178.66 1j1f n ILE 58 N -2.92 1.42 -0.12 1.86 -5.35 -0.93 -4.38 119.36 108.94 1j1f n ILE 58 Ca 0.03 -1.75 0.13 0.00 -0.27 0.00 0.00 62.75 60.90 1j1f n ILE 58 Cb 0.43 -0.05 0.49 0.00 -1.74 0.00 0.00 39.64 38.78 1j1f n ILE 58 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1j1f h SER 59 N 0.05 0.39 0.76 7.28 4.64 -1.49 -0.10 113.55 125.09 1j1f h SER 59 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1j1f h SER 59 Cb 1.11 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1j1f h SER 59 CO 0.00 0.22 0.00 1.12 -0.87 0.00 0.00 176.83 177.31 1j1f h HIS 60 N 0.43 0.00 -0.47 4.77 2.07 -1.87 -2.98 115.15 117.10 1j1f h HIS 60 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 1j1f h HIS 60 Cb 0.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 1j1f h HIS 60 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1j1f n LEU 61 N -2.39 3.36 -0.10 6.12 4.77 -0.05 -4.67 117.00 124.05 1j1f n LEU 61 Ca 0.02 -1.79 0.08 0.00 -0.03 0.00 0.00 56.01 54.29 1j1f n LEU 61 Cb 0.24 -0.31 0.42 0.00 -2.33 0.00 0.00 43.42 41.44 1j1f n LEU 61 CO 0.21 0.80 1.19 0.06 -1.33 0.00 0.00 177.39 178.32 1j1f h GLN 62 N 3.49 0.57 -0.03 3.23 3.07 -1.52 0.86 115.11 124.78 1j1f h GLN 62 Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1j1f h GLN 62 Cb 0.87 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 28.30 1j1f h GLN 62 CO 0.00 0.37 -0.01 1.03 0.09 0.00 0.00 178.83 180.31 1j1f h SER 63 N 0.58 0.06 -0.57 0.06 0.87 -1.86 -0.25 113.55 112.44 1j1f h SER 63 Ca 0.25 -0.40 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1j1f h SER 63 Cb 0.26 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1j1f h SER 63 CO -0.07 0.45 0.19 1.56 -0.53 0.00 0.00 176.83 178.43 1j1f h GLN 64 N -0.33 0.92 -0.09 2.24 4.20 -1.80 -1.85 115.11 118.41 1j1f h GLN 64 Ca 0.01 -0.18 -0.18 0.00 0.06 0.00 0.00 58.65 58.36 1j1f h GLN 64 Cb 0.43 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1j1f h GLN 64 CO 0.00 0.79 -0.71 -0.07 -0.67 0.00 0.00 178.83 178.18 1j1f h LEU 65 N 0.90 0.52 -1.21 1.46 3.38 -0.80 0.11 115.31 119.68 1j1f h LEU 65 Ca 0.20 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1j1f h LEU 65 Cb 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1j1f h LEU 65 CO -0.01 1.08 -0.31 0.78 0.09 0.00 0.00 178.44 180.07 1j1f h ASN 66 N 0.31 0.00 0.05 -0.43 2.35 -0.80 0.21 115.58 117.27 1j1f h ASN 66 Ca -0.03 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.51 1j1f h ASN 66 Cb 1.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.64 1j1f h ASN 66 CO 0.13 0.31 -1.09 0.74 -1.65 0.00 0.00 177.43 175.86 1j1f h THR 67 N 0.00 1.14 0.00 2.81 2.02 -1.16 -3.37 112.91 114.35 1j1f h THR 67 Ca -0.00 -2.31 -0.00 0.00 0.77 0.00 0.00 66.41 64.86 1j1f h THR 67 Cb 0.73 2.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1j1f h THR 67 CO 0.04 0.55 -1.52 0.18 0.37 0.00 0.00 175.52 175.14 1j1f n LEU 68 N -4.23 0.42 -2.47 2.58 4.77 0.38 -4.54 117.00 113.90 1j1f n LEU 68 Ca -0.25 0.16 -0.18 0.00 -0.03 0.00 0.00 56.01 55.71 1j1f n LEU 68 Cb 0.74 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.83 1j1f n LEU 68 CO 0.32 -0.08 0.09 1.87 -1.33 0.00 0.00 177.39 178.25 1j1f n TRP 69 N -2.47 2.44 -1.86 -1.77 -0.00 0.73 -0.37 117.44 114.13 1j1f n TRP 69 Ca -0.02 -2.71 -0.30 0.00 -0.00 0.00 0.00 57.50 54.46 1j1f n TRP 69 Cb 0.57 -0.23 0.05 0.00 -0.00 0.00 0.00 31.31 31.70 1j1f n TRP 69 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1j1f s PRO 70 N -3.49 2.84 0.34 5.87 0.04 -1.21 -4.77 135.00 134.63 1j1f s PRO 70 Ca 0.41 0.48 -0.26 0.00 0.04 0.00 0.00 61.00 61.67 1j1f s PRO 70 Cb 0.41 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.83 1j1f s PRO 70 CO -0.06 -1.05 0.97 -0.08 0.04 0.00 0.00 177.00 176.82 1j1f s THR 71 N -3.34 4.09 -0.48 1.26 -1.32 -1.26 -4.88 115.64 109.70 1j1f s THR 71 Ca 0.58 1.70 0.09 0.00 -1.21 0.00 0.00 61.69 62.86 1j1f s THR 71 Cb -0.11 -3.93 -0.09 0.00 -1.51 0.00 0.00 72.50 66.86 1j1f s THR 71 CO 0.52 0.11 0.42 1.33 -2.21 0.00 0.00 174.62 174.78 1j1f n VAL 72 N 0.42 0.00 -0.11 5.08 0.24 -1.26 -4.62 118.33 118.08 1j1f n VAL 72 Ca 0.03 -0.29 -0.22 0.00 -2.04 0.00 0.00 64.34 61.82 1j1f n VAL 72 Cb 0.50 1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 33.76 1j1f n VAL 72 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1j1f n LEU 73 N -1.12 2.61 0.00 1.34 4.77 -1.26 -0.90 117.00 122.44 1j1f n LEU 73 Ca 0.02 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1j1f n LEU 73 Cb 0.15 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 1j1f n LEU 73 CO 0.18 0.80 0.00 0.54 -1.33 0.00 0.00 177.39 177.58 1j1f n ARG 74 N -3.61 3.95 0.00 3.23 1.74 -1.26 -4.57 116.66 116.14 1j1f n ARG 74 Ca -0.46 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.62 1j1f n ARG 74 Cb 0.95 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.39 1j1f n ARG 74 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1j1f n ALA 75 N -3.00 1.72 -2.86 7.54 0.00 -1.26 -4.75 120.51 117.90 1j1f n ALA 75 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1j1f n ALA 75 Cb 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 1j1f n ALA 75 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j1f s ASN 76 N -2.03 6.21 0.14 0.00 3.84 -1.26 -4.94 114.94 116.90 1j1f s ASN 76 Ca 0.00 -1.06 -0.14 0.00 0.21 0.00 0.00 52.86 51.87 1j1f s ASN 76 Cb 0.00 -2.29 0.01 0.00 -0.55 0.00 0.00 41.25 38.41 1j1f s ASN 76 CO 0.00 -0.95 1.63 0.78 -2.79 0.00 0.00 177.10 175.77 1j1f h ASN 77 N 9.05 0.70 -0.63 -4.21 2.35 -1.93 -3.03 115.58 117.87 1j1f h ASN 77 Ca -0.28 -0.25 0.04 0.00 -0.55 0.00 0.00 56.30 55.26 1j1f h ASN 77 Cb 1.09 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.24 1j1f h ASN 77 CO 1.00 0.77 0.42 1.56 -1.65 0.00 0.00 177.43 179.53 1j1f h GLN 78 N 0.61 0.71 -0.57 0.81 4.20 -1.93 -0.72 115.11 118.21 1j1f h GLN 78 Ca 0.14 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1j1f h GLN 78 Cb 0.35 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1j1f h GLN 78 CO 0.00 0.47 0.19 0.37 -0.67 0.00 0.00 178.83 179.19 1j1f h GLN 79 N 0.73 0.85 -0.25 1.46 4.15 -1.96 0.48 115.11 120.57 1j1f h GLN 79 Ca 0.26 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 1j1f h GLN 79 Cb 0.11 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1j1f h GLN 79 CO -0.07 0.72 -0.17 0.35 -1.93 0.00 0.00 178.83 177.73 1j1f h PHE 80 N 0.83 0.65 -0.62 3.99 3.57 -1.14 -1.73 116.94 122.49 1j1f h PHE 80 Ca 0.19 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1j1f h PHE 80 Cb 0.22 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1j1f h PHE 80 CO 0.01 0.84 0.26 -1.49 -2.23 0.00 0.00 178.31 175.71 1j1f h TRP 81 N 0.26 0.93 -0.33 0.41 6.55 -0.85 -0.98 115.95 121.94 1j1f h TRP 81 Ca 0.05 -0.07 0.01 0.00 0.95 0.00 0.00 58.89 59.84 1j1f h TRP 81 Cb 0.70 -0.28 -0.02 0.00 -0.86 0.00 0.00 29.16 28.70 1j1f h TRP 81 CO 0.07 0.73 0.19 1.03 -1.05 0.00 0.00 178.44 179.41 1j1f h SER 82 N 0.86 0.30 -0.49 -3.49 0.87 -0.84 -0.19 113.55 110.57 1j1f h SER 82 Ca 0.21 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1j1f h SER 82 Cb 0.19 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1j1f h SER 82 CO -0.02 0.22 0.25 -0.74 -0.53 0.00 0.00 176.83 176.02 1j1f h HIS 83 N 0.39 0.68 -0.29 2.24 -0.00 -1.04 -0.99 115.15 116.14 1j1f h HIS 83 Ca 0.13 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.41 1j1f h HIS 83 Cb 0.01 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.19 1j1f h HIS 83 CO -0.08 0.52 -0.10 0.93 -0.00 0.00 0.00 177.93 179.20 1j1f h GLU 84 N 0.64 0.48 0.05 5.26 4.39 -0.86 -0.91 114.58 123.64 1j1f h GLU 84 Ca 0.17 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1j1f h GLU 84 Cb 0.08 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1j1f h GLU 84 CO -0.03 0.59 -0.02 2.35 -1.16 0.00 0.00 179.01 180.74 1j1f h TRP 85 N 0.45 -0.06 -0.42 4.33 2.91 -0.65 -0.56 115.95 121.95 1j1f h TRP 85 Ca 0.09 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 1j1f h TRP 85 Cb 0.45 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 1j1f h TRP 85 CO 0.01 0.40 0.03 1.15 -1.03 0.00 0.00 178.44 179.00 1j1f h THR 86 N -0.55 1.22 0.00 2.65 2.02 -1.10 0.31 112.91 117.45 1j1f h THR 86 Ca -0.01 -0.85 -0.20 0.00 0.77 0.00 0.00 66.41 66.12 1j1f h THR 86 Cb 0.49 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1j1f h THR 86 CO 0.01 0.30 -1.39 0.50 0.37 0.00 0.00 175.52 175.31 1j1f h LYS 87 N 0.63 0.00 0.00 6.66 3.64 -1.23 -3.37 116.57 122.90 1j1f h LYS 87 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1j1f h LYS 87 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1j1f h LYS 87 CO 0.01 0.42 -0.70 0.72 -2.27 0.00 0.00 179.45 177.63 1j1f n HIS 88 N -3.00 0.00 -0.26 1.91 8.25 -0.30 -0.61 115.22 121.21 1j1f n HIS 88 Ca -0.10 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.45 1j1f n HIS 88 Cb 0.90 0.14 0.34 0.00 1.12 0.00 0.00 29.99 32.50 1j1f n HIS 88 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1j1f h GLY 89 N 0.00 1.20 1.98 -1.41 0.00 -0.29 -1.22 103.07 103.33 1j1f h GLY 89 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1j1f h GLY 89 CO 0.00 0.16 0.01 -0.91 0.00 0.00 0.00 176.54 175.80 1j1f h THR 90 N 0.78 0.73 0.00 4.70 1.35 -1.25 -2.21 112.91 117.01 1j1f h THR 90 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.27 1j1f h THR 90 Cb 0.51 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1j1f h THR 90 CO -0.18 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.09 1j1f n SER 92 N -1.72 1.60 0.15 0.00 3.41 -0.84 -4.69 113.62 111.53 1j1f n SER 92 Ca 0.03 -2.18 0.12 0.00 -0.26 0.00 0.00 58.87 56.58 1j1f n SER 92 Cb 0.18 -0.15 0.55 0.00 -0.26 0.00 0.00 64.21 64.53 1j1f n SER 92 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1j1f n GLU 93 N -0.66 0.17 0.27 4.33 2.13 -1.01 -0.98 120.64 124.89 1j1f n GLU 93 Ca 0.05 0.53 0.12 0.00 0.66 0.00 0.00 57.16 58.52 1j1f n GLU 93 Cb 0.45 -1.93 0.75 0.00 0.27 0.00 0.00 31.44 30.98 1j1f n GLU 93 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1j1f h SER 94 N 0.00 0.00 0.00 4.31 4.64 -1.86 -3.28 113.55 117.36 1j1f h SER 94 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j1f h SER 94 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1j1f h SER 94 CO 0.00 0.10 -0.75 0.35 -0.87 0.00 0.00 176.83 175.65 1j1f n THR 95 N -3.79 0.00 -4.03 2.95 -2.24 -0.90 -4.99 114.28 101.27 1j1f n THR 95 Ca -0.02 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1j1f n THR 95 Cb 0.20 -0.03 -0.15 0.00 -2.10 0.00 0.00 70.33 68.25 1j1f n THR 95 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1j1f s PHE 96 N -1.59 3.20 1.01 4.78 0.08 -0.15 -5.06 117.98 120.24 1j1f s PHE 96 Ca 0.00 -2.36 -0.13 0.00 0.12 0.00 0.00 56.93 54.57 1j1f s PHE 96 Cb 0.00 -2.06 0.20 0.00 -0.57 0.00 0.00 43.02 40.59 1j1f s PHE 96 CO 0.00 -0.88 1.10 0.54 -0.10 0.00 0.00 175.22 175.88 1j1f s ASN 97 N 1.12 2.52 0.24 1.36 2.20 -1.26 -3.84 114.94 117.27 1j1f s ASN 97 Ca -0.04 1.12 -0.05 0.00 -0.94 0.00 0.00 52.86 52.94 1j1f s ASN 97 Cb -0.20 -1.76 0.41 0.00 -2.00 0.00 0.00 41.25 37.71 1j1f s ASN 97 CO -0.06 -3.19 1.74 -0.61 -2.94 0.00 0.00 177.10 172.04 1j1f h GLN 98 N -1.93 0.44 -0.44 3.55 4.15 -1.95 0.48 115.11 119.41 1j1f h GLN 98 Ca -0.54 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 58.85 1j1f h GLN 98 Cb 1.33 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 1j1f h GLN 98 CO 0.57 0.29 0.27 0.00 -1.93 0.00 0.00 178.83 178.04 1j1f h ALA 99 N 1.51 0.56 -0.33 3.38 0.00 -1.91 -2.19 119.26 120.28 1j1f h ALA 99 Ca 0.39 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1j1f h ALA 99 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1j1f h ALA 99 CO -0.38 0.03 -0.30 0.00 0.00 0.00 0.00 179.25 178.61 1j1f h ALA 100 N 1.13 0.85 0.07 0.00 0.00 -1.70 -1.96 119.26 117.66 1j1f h ALA 100 Ca 0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1j1f h ALA 100 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1j1f h ALA 100 CO -0.03 0.63 -0.04 -0.92 0.00 0.00 0.00 179.25 178.90 1j1f h TYR 101 N 0.60 -0.09 -0.24 0.00 3.20 -0.71 0.13 116.97 119.85 1j1f h TYR 101 Ca 0.07 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 1j1f h TYR 101 Cb 0.81 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1j1f h TYR 101 CO 0.04 0.02 -0.28 0.74 -1.64 0.00 0.00 178.16 177.04 1j1f h PHE 102 N -0.18 0.54 -0.37 -3.82 0.04 -1.41 -1.93 116.94 109.80 1j1f h PHE 102 Ca -0.01 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.55 1j1f h PHE 102 Cb 0.15 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 1j1f h PHE 102 CO -0.05 0.71 -0.12 -0.22 -0.60 0.00 0.00 178.31 178.04 1j1f h LYS 103 N 0.42 0.66 -0.30 1.51 1.63 -1.16 -1.89 116.57 117.44 1j1f h LYS 103 Ca 0.06 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1j1f h LYS 103 Cb 0.71 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 1j1f h LYS 103 CO 0.05 0.76 0.16 1.25 -3.45 0.00 0.00 179.45 178.22 1j1f h LEU 104 N 0.60 0.37 -0.76 5.20 5.85 -0.20 -0.19 115.31 126.19 1j1f h LEU 104 Ca 0.11 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1j1f h LEU 104 Cb 0.55 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1j1f h LEU 104 CO 0.03 0.36 0.37 0.00 -0.34 0.00 0.00 178.44 178.86 1j1f h ALA 105 N 1.03 0.97 -0.26 1.25 0.00 -1.09 0.71 119.26 121.86 1j1f h ALA 105 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1j1f h ALA 105 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1j1f h ALA 105 CO -0.02 0.53 0.09 0.28 0.00 0.00 0.00 179.25 180.14 1j1f h VAL 106 N 1.06 1.19 -0.67 0.00 2.07 -1.06 -1.17 116.25 117.67 1j1f h VAL 106 Ca 0.26 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1j1f h VAL 106 Cb 0.11 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1j1f h VAL 106 CO -0.03 0.20 0.20 0.44 0.02 0.00 0.00 177.57 178.39 1j1f h ASP 107 N 0.27 0.96 -0.68 0.57 3.32 -0.75 -1.31 116.42 118.79 1j1f h ASP 107 Ca 0.09 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1j1f h ASP 107 Cb 0.22 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1j1f h ASP 107 CO -0.00 0.90 0.31 0.24 -1.72 0.00 0.00 179.24 178.96 1j1f h MET 108 N 0.99 0.98 -0.33 3.56 2.86 -0.64 -0.84 114.93 121.50 1j1f h MET 108 Ca 0.22 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1j1f h MET 108 Cb 0.29 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1j1f h MET 108 CO -0.01 0.79 0.11 -0.09 1.06 0.00 0.00 176.91 178.78 1j1f h ARG 109 N 0.94 0.51 0.00 1.72 9.65 -0.77 -1.08 114.38 125.36 1j1f h ARG 109 Ca 0.23 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.98 1j1f h ARG 109 Cb 0.14 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1j1f h ARG 109 CO -0.03 0.54 -0.10 -0.91 2.80 0.00 0.00 179.97 182.27 1j1f h ASN 110 N 0.39 0.00 -0.11 -3.80 2.35 -1.00 -2.66 115.58 110.75 1j1f h ASN 110 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1j1f h ASN 110 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1j1f h ASN 110 CO -0.00 0.10 0.00 0.59 -1.65 0.00 0.00 177.43 176.47 1j1f n ASN 111 N -3.43 2.98 -3.27 5.81 3.02 -0.34 -4.58 115.26 115.44 1j1f n ASN 111 Ca -0.01 -1.96 -0.25 0.00 -0.03 0.00 0.00 54.58 52.33 1j1f n ASN 111 Cb 0.26 -0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.30 1j1f n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j1f n TYR 112 N 1.28 0.51 -2.65 3.10 4.19 -0.45 -5.05 117.16 118.10 1j1f n TYR 112 Ca 0.16 -3.68 -0.42 0.00 3.31 0.00 0.00 57.90 57.27 1j1f n TYR 112 Cb 0.58 -0.35 -0.03 0.00 0.49 0.00 0.00 39.34 40.03 1j1f n TYR 112 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1j1f s ASP 113 N -1.36 6.26 0.08 2.98 -1.08 -1.26 -4.85 116.67 117.43 1j1f s ASP 113 Ca 0.36 -0.87 -0.26 0.00 -0.52 0.00 0.00 52.55 51.25 1j1f s ASP 113 Cb 0.15 -2.52 -0.17 0.00 -1.46 0.00 0.00 42.92 38.93 1j1f s ASP 113 CO -0.10 -1.63 1.66 0.40 0.52 0.00 0.00 175.17 176.02 1j1f h ILE 114 N 6.14 0.78 -0.63 4.11 2.04 -1.97 -2.31 117.51 125.68 1j1f h ILE 114 Ca -0.17 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1j1f h ILE 114 Cb 1.05 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1j1f h ILE 114 CO 1.27 0.02 0.27 0.40 0.00 0.00 0.00 178.15 180.11 1j1f h ILE 115 N -0.35 1.21 -0.76 -0.67 1.08 -1.99 -2.13 117.51 113.90 1j1f h ILE 115 Ca -0.03 -0.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.79 1j1f h ILE 115 Cb 0.27 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1j1f h ILE 115 CO 0.05 0.26 0.43 1.23 -0.69 0.00 0.00 178.15 179.43 1j1f h GLY 116 N 0.99 1.11 2.00 5.37 0.00 -1.94 0.81 103.07 111.41 1j1f h GLY 116 Ca 0.22 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1j1f h GLY 116 CO -0.02 0.46 -0.34 0.00 0.00 0.00 0.00 176.54 176.64 1j1f h ALA 117 N 1.42 0.89 0.06 3.60 0.00 -0.84 -3.33 119.26 121.06 1j1f h ALA 117 Ca 0.27 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 1j1f h ALA 117 Cb -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1j1f h ALA 117 CO -0.05 0.43 -1.97 1.28 0.00 0.00 0.00 179.25 178.94 1j1f n LEU 118 N -3.34 1.88 -0.26 0.00 4.77 -0.86 -4.57 117.00 114.62 1j1f n LEU 118 Ca 0.01 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.19 1j1f n LEU 118 Cb 0.56 -0.54 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1j1f n LEU 118 CO 0.37 0.68 0.63 -0.09 -1.33 0.00 0.00 177.39 177.65 1j1f h ARG 119 N 0.04 -0.09 -0.38 3.23 2.43 -0.96 -1.43 114.38 117.21 1j1f h ARG 119 Ca -0.40 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.82 1j1f h ARG 119 Cb 2.03 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.58 1j1f h ARG 119 CO 0.06 -0.06 0.26 -1.35 -1.51 0.00 0.00 179.97 177.37 1j1f h PRO 120 N -0.09 0.31 -0.64 0.20 0.11 -1.81 -1.75 132.00 128.33 1j1f h PRO 120 Ca 0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1j1f h PRO 120 Cb 0.57 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1j1f h PRO 120 CO -0.78 0.21 0.00 0.72 -0.21 0.00 0.00 178.00 177.94 1j1f n HIS 121 N -4.48 1.13 -3.29 0.65 8.25 -0.80 -4.89 115.22 111.79 1j1f n HIS 121 Ca 0.04 -0.43 -0.24 0.00 -0.26 0.00 0.00 57.72 56.84 1j1f n HIS 121 Cb 0.22 -0.24 0.04 0.00 1.12 0.00 0.00 29.99 31.13 1j1f n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j1f n ALA 122 N 0.60 -1.10 -0.58 -1.41 0.00 -0.66 -4.89 120.51 112.47 1j1f n ALA 122 Ca 0.18 0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.98 1j1f n ALA 122 Cb 0.72 -4.33 0.17 0.00 0.00 0.00 0.00 19.45 16.00 1j1f n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j1f n ALA 123 N -4.07 2.45 -1.24 0.00 0.00 -0.61 -5.02 120.51 112.03 1j1f n ALA 123 Ca -0.06 -1.77 -0.29 0.00 0.00 0.00 0.00 53.44 51.32 1j1f n ALA 123 Cb 0.59 -0.46 0.16 0.00 0.00 0.00 0.00 19.45 19.74 1j1f n ALA 123 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j1f s GLY 124 N -1.63 1.58 0.39 0.00 0.00 -1.25 -4.77 107.32 101.65 1j1f s GLY 124 Ca 0.28 -0.28 -0.26 0.00 0.00 0.00 0.00 44.72 44.45 1j1f s GLY 124 CO 0.09 0.28 1.25 2.56 0.00 0.00 0.00 173.10 177.28 1j1f s PRO 125 N -5.00 4.07 0.00 2.90 0.04 -1.26 -4.90 135.00 130.85 1j1f s PRO 125 Ca 0.64 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1j1f s PRO 125 Cb -0.18 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1j1f s PRO 125 CO 0.57 -0.37 0.11 0.27 0.04 0.00 0.00 177.00 177.62 1j1f n ASN 126 N 0.24 0.00 -0.02 6.66 0.23 -0.71 -4.99 115.26 116.67 1j1f n ASN 126 Ca 0.03 -1.00 -0.00 0.00 -0.53 0.00 0.00 54.58 53.08 1j1f n ASN 126 Cb 0.44 -0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1j1f n ASN 126 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j1f n GLY 127 N 0.00 0.38 3.93 4.83 0.00 -1.21 -5.01 105.19 108.10 1j1f n GLY 127 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1j1f n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j1f s ARG 128 N -0.64 2.58 0.24 1.61 0.52 -1.25 -4.69 118.95 117.32 1j1f s ARG 128 Ca 0.00 -1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 53.42 1j1f s ARG 128 Cb 0.00 -2.48 -0.09 0.00 0.52 0.00 0.00 34.95 32.90 1j1f s ARG 128 CO 0.00 -0.29 1.17 0.99 0.02 0.00 0.00 175.30 177.18 1j1f s THR 129 N -2.47 3.44 0.22 0.02 2.01 -1.26 -1.03 115.64 116.57 1j1f s THR 129 Ca 0.50 1.34 0.08 0.00 0.31 0.00 0.00 61.69 63.91 1j1f s THR 129 Cb -0.05 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 1j1f s THR 129 CO 0.30 0.27 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.83 1j1f s LYS 130 N -0.94 1.39 -0.18 4.92 -0.14 0.82 -4.91 119.74 120.71 1j1f s LYS 130 Ca 0.49 -1.64 -0.12 0.00 -1.36 0.00 0.00 55.97 53.34 1j1f s LYS 130 Cb -0.33 -1.16 -0.05 0.00 -1.68 0.00 0.00 37.83 34.61 1j1f s LYS 130 CO 0.40 0.16 0.21 0.45 -0.76 0.00 0.00 175.35 175.81 1j1f s SER 131 N -3.35 6.32 0.12 2.83 0.15 -1.26 -2.24 113.70 116.26 1j1f s SER 131 Ca 0.24 0.36 -0.21 0.00 0.70 0.00 0.00 55.95 57.04 1j1f s SER 131 Cb -0.00 -2.13 -0.07 0.00 -1.71 0.00 0.00 66.02 62.11 1j1f s SER 131 CO 0.08 0.14 1.72 -0.09 1.20 0.00 0.00 173.24 176.29 1j1f h ARG 132 N 6.70 0.01 -0.60 5.44 2.43 -1.13 -0.07 114.38 127.16 1j1f h ARG 132 Ca -0.41 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.71 1j1f h ARG 132 Cb 1.16 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 1j1f h ARG 132 CO 0.76 0.00 0.17 0.37 -1.51 0.00 0.00 179.97 179.76 1j1f h GLN 133 N 0.01 0.91 0.25 0.20 4.15 -1.92 -1.25 115.11 117.45 1j1f h GLN 133 Ca 0.06 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1j1f h GLN 133 Cb 0.10 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1j1f h GLN 133 CO -0.14 0.79 -0.12 0.00 -1.93 0.00 0.00 178.83 177.44 1j1f h ALA 134 N 1.31 -0.33 -0.29 3.38 0.00 -1.81 0.13 119.26 121.65 1j1f h ALA 134 Ca 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1j1f h ALA 134 Cb 0.28 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1j1f h ALA 134 CO -0.01 -0.61 0.15 0.82 0.00 0.00 0.00 179.25 179.60 1j1f h ILE 135 N -0.48 1.01 -0.40 0.00 1.08 -0.92 0.26 117.51 118.06 1j1f h ILE 135 Ca -0.03 -0.11 -0.04 0.00 -0.39 0.00 0.00 64.86 64.29 1j1f h ILE 135 Cb 0.36 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 1j1f h ILE 135 CO 0.06 0.06 0.09 0.11 -0.69 0.00 0.00 178.15 177.77 1j1f h LYS 136 N 0.32 0.58 -0.51 2.37 1.57 -1.19 -1.82 116.57 117.90 1j1f h LYS 136 Ca 0.12 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1j1f h LYS 136 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1j1f h LYS 136 CO -0.07 0.54 0.02 0.78 -0.57 0.00 0.00 179.45 180.16 1j1f h GLY 137 N 0.80 0.95 1.08 3.86 0.00 0.13 -0.29 103.07 109.60 1j1f h GLY 137 Ca 0.13 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 1j1f h GLY 137 CO -0.00 0.63 -0.07 0.74 0.00 0.00 0.00 176.54 177.84 1j1f h PHE 138 N 0.75 1.13 -0.20 5.60 0.04 -0.57 -1.22 116.94 122.47 1j1f h PHE 138 Ca 0.15 -0.22 -0.14 0.00 2.80 0.00 0.00 57.97 60.55 1j1f h PHE 138 Cb 0.49 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1j1f h PHE 138 CO 0.04 1.04 -0.47 -0.07 -0.60 0.00 0.00 178.31 178.24 1j1f h LEU 139 N 0.90 0.55 -0.50 1.54 3.38 -1.24 -2.17 115.31 117.78 1j1f h LEU 139 Ca 0.15 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1j1f h LEU 139 Cb 0.63 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1j1f h LEU 139 CO 0.04 0.94 -0.39 0.50 0.09 0.00 0.00 178.44 179.62 1j1f h LYS 140 N 0.41 0.80 -0.70 1.13 3.64 -0.92 0.41 116.57 121.34 1j1f h LYS 140 Ca 0.02 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 58.95 1j1f h LYS 140 Cb 0.98 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1j1f h LYS 140 CO 0.09 1.05 0.27 0.00 -2.27 0.00 0.00 179.45 178.58 1j1f h ALA 141 N 0.90 1.16 0.04 5.00 0.00 -1.09 0.87 119.26 126.14 1j1f h ALA 141 Ca 0.05 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1j1f h ALA 141 Cb 0.95 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1j1f h ALA 141 CO 0.09 0.60 -0.34 -0.22 0.00 0.00 0.00 179.25 179.38 1j1f h LYS 142 N 1.01 0.16 0.00 0.00 1.63 -1.26 -3.39 116.57 114.73 1j1f h LYS 142 Ca 0.23 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1j1f h LYS 142 Cb 0.21 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1j1f h LYS 142 CO -0.02 1.04 -1.31 1.19 -3.45 0.00 0.00 179.45 176.91 1j1f n PHE 143 N -4.42 0.09 0.00 1.91 3.72 0.12 -5.01 117.46 113.87 1j1f n PHE 143 Ca -0.11 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1j1f n PHE 143 Cb 0.59 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 1j1f n PHE 143 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j1f n GLY 144 N 1.38 2.17 3.11 1.37 0.00 0.30 -5.00 105.19 108.53 1j1f n GLY 144 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1j1f n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j1f s LYS 145 N -0.97 0.69 0.15 1.61 -0.14 -1.24 -4.94 119.74 114.91 1j1f s LYS 145 Ca 0.00 -1.27 -0.30 0.00 -1.36 0.00 0.00 55.97 53.04 1j1f s LYS 145 Cb 0.00 0.13 -0.07 0.00 -1.68 0.00 0.00 37.83 36.21 1j1f s LYS 145 CO 0.00 -0.11 1.11 -0.06 -0.76 0.00 0.00 175.35 175.53 1j1f s PHE 146 N -3.88 3.57 0.72 3.18 0.08 -1.26 -3.79 117.98 116.60 1j1f s PHE 146 Ca 0.10 1.55 -0.03 0.00 0.12 0.00 0.00 56.93 58.67 1j1f s PHE 146 Cb 0.07 -3.30 0.11 0.00 -0.57 0.00 0.00 43.02 39.34 1j1f s PHE 146 CO -0.08 -0.70 1.01 -1.25 -0.10 0.00 0.00 175.22 174.10 1j1f s PRO 147 N -0.09 1.75 -0.16 0.24 0.04 -1.26 -1.00 135.00 134.51 1j1f s PRO 147 Ca 0.51 -0.85 -0.03 0.00 0.04 0.00 0.00 61.00 60.67 1j1f s PRO 147 Cb -0.29 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 1j1f s PRO 147 CO 0.34 -1.43 -0.06 0.20 0.04 0.00 0.00 177.00 176.08 1j1f s GLY 148 N -4.68 1.65 -0.14 0.56 0.00 0.35 -4.60 107.32 100.45 1j1f s GLY 148 Ca 0.65 -0.92 -0.07 0.00 0.00 0.00 0.00 44.72 44.38 1j1f s GLY 148 CO 0.45 0.01 0.11 1.08 0.00 0.00 0.00 173.10 174.75 1j1f s LEU 149 N 0.61 4.18 -0.15 0.66 1.43 -1.26 0.09 118.68 124.24 1j1f s LEU 149 Ca -0.04 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1j1f s LEU 149 Cb -0.15 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1j1f s LEU 149 CO 0.03 0.32 -0.20 -0.13 0.23 0.00 0.00 176.35 176.59 1j1f s ARG 150 N -0.50 2.90 0.29 1.70 1.81 0.12 -0.52 118.95 124.75 1j1f s ARG 150 Ca 0.12 -0.81 0.11 0.00 -1.72 0.00 0.00 55.73 53.43 1j1f s ARG 150 Cb -0.12 -2.41 -0.05 0.00 -0.45 0.00 0.00 34.95 31.92 1j1f s ARG 150 CO 0.02 -0.09 -0.12 0.00 -0.68 0.00 0.00 175.30 174.42 1j1f s ARG 152 N -3.58 0.59 -0.20 0.00 0.52 -0.19 -4.84 118.95 111.25 1j1f s ARG 152 Ca 0.31 -0.35 -0.08 0.00 -0.52 0.00 0.00 55.73 55.09 1j1f s ARG 152 Cb -0.04 -0.55 -0.04 0.00 0.52 0.00 0.00 34.95 34.85 1j1f s ARG 152 CO 0.17 0.14 0.08 0.99 0.02 0.00 0.00 175.30 176.70 1j1f s THR 153 N -0.36 4.81 -0.04 0.02 2.01 -1.26 -1.05 115.64 119.77 1j1f s THR 153 Ca 0.01 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 1j1f s THR 153 Cb -0.04 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.23 1j1f s THR 153 CO -0.00 0.43 1.63 -0.62 -0.69 0.00 0.00 174.62 175.37 1j1f s ASP 154 N 0.59 6.68 0.64 3.53 -1.08 -0.39 -4.87 116.67 121.76 1j1f s ASP 154 Ca 0.04 2.25 0.37 0.00 -0.52 0.00 0.00 52.55 54.69 1j1f s ASP 154 Cb -0.13 -2.54 2.11 0.00 -1.46 0.00 0.00 42.92 40.90 1j1f s ASP 154 CO 0.01 -0.90 2.27 -0.65 0.52 0.00 0.00 175.17 176.42 1j1f h PRO 155 N 9.27 0.00 0.04 4.34 0.11 -1.96 0.25 132.00 144.05 1j1f h PRO 155 Ca -0.39 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.39 1j1f h PRO 155 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1j1f h PRO 155 CO 0.95 0.00 -1.84 1.04 -0.21 0.00 0.00 178.00 177.94 1j1f n GLN 156 N -3.36 0.63 0.02 1.05 1.13 -1.26 -4.58 117.38 111.01 1j1f n GLN 156 Ca -0.02 0.38 0.11 0.00 -1.94 0.00 0.00 57.00 55.53 1j1f n GLN 156 Cb 0.13 -1.67 -0.10 0.00 0.11 0.00 0.00 30.24 28.72 1j1f n GLN 156 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1j1f n THR 157 N -4.00 0.12 -1.06 5.09 -2.24 -1.21 -4.97 114.28 106.01 1j1f n THR 157 Ca -0.38 -0.38 -0.02 0.00 -2.27 0.00 0.00 64.05 61.00 1j1f n THR 157 Cb 0.86 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 69.23 1j1f n THR 157 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1j1f n LYS 158 N -2.14 -0.89 -2.65 -0.78 4.76 0.88 -4.98 118.16 112.36 1j1f n LYS 158 Ca -0.01 0.37 -0.40 0.00 -2.87 0.00 0.00 58.31 55.40 1j1f n LYS 158 Cb 0.50 -4.13 -0.05 0.00 -1.84 0.00 0.00 35.03 29.51 1j1f n LYS 158 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1j1f s VAL 159 N -1.71 4.02 -0.19 -0.18 1.01 -1.26 -4.72 120.40 117.37 1j1f s VAL 159 Ca 0.00 1.88 -0.10 0.00 0.00 0.00 0.00 61.98 63.76 1j1f s VAL 159 Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1j1f s VAL 159 CO 0.00 0.39 0.14 -0.55 0.00 0.00 0.00 175.10 175.08 1j1f s SER 160 N -0.64 6.25 0.05 3.32 0.15 -1.26 -1.27 113.70 120.29 1j1f s SER 160 Ca 0.45 0.28 0.08 0.00 0.70 0.00 0.00 55.95 57.46 1j1f s SER 160 Cb -0.27 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1j1f s SER 160 CO 0.34 0.20 -0.23 -0.31 1.20 0.00 0.00 173.24 174.43 1j1f s TYR 161 N 0.21 2.04 0.04 3.44 1.51 -0.21 -0.27 117.35 124.11 1j1f s TYR 161 Ca 0.09 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.46 1j1f s TYR 161 Cb -0.11 -1.22 -0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1j1f s TYR 161 CO -0.01 0.11 1.21 -1.17 -1.11 0.00 0.00 175.55 174.58 1j1f s LEU 162 N -1.21 4.35 -0.01 -1.29 2.96 -0.65 -1.02 118.68 121.81 1j1f s LEU 162 Ca 0.09 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.99 1j1f s LEU 162 Cb -0.09 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 1j1f s LEU 162 CO 0.02 -0.50 0.00 1.33 -1.32 0.00 0.00 176.35 175.88 1j1f n VAL 163 N 4.08 0.04 -3.93 1.68 0.24 0.24 -4.80 118.33 115.87 1j1f n VAL 163 Ca 0.09 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.34 62.28 1j1f n VAL 163 Cb 0.46 -0.91 -0.10 0.00 -1.47 0.00 0.00 33.84 31.83 1j1f n VAL 163 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1j1f s GLU 164 N -2.01 0.55 -0.08 7.34 2.02 -0.73 -0.98 118.70 124.81 1j1f s GLU 164 Ca -0.00 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.30 1j1f s GLU 164 Cb 0.00 0.22 0.01 0.00 0.10 0.00 0.00 34.13 34.46 1j1f s GLU 164 CO 0.02 -0.13 -0.12 0.08 0.02 0.00 0.00 175.26 175.12 1j1f s VAL 165 N -2.38 1.21 -0.14 2.63 1.01 -0.55 -0.70 120.40 121.49 1j1f s VAL 165 Ca -0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1j1f s VAL 165 Cb -0.03 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1j1f s VAL 165 CO -0.04 0.38 -0.01 -0.69 0.00 0.00 0.00 175.10 174.75 1j1f s VAL 166 N 0.86 4.18 -0.20 2.92 1.01 0.11 -1.46 120.40 127.83 1j1f s VAL 166 Ca -0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1j1f s VAL 166 Cb -0.15 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1j1f s VAL 166 CO 0.01 0.52 -0.03 0.00 0.00 0.00 0.00 175.10 175.60 1j1f s ALA 167 N 0.02 2.89 -0.08 5.51 0.00 -0.30 -0.50 121.76 129.30 1j1f s ALA 167 Ca 0.02 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 1j1f s ALA 167 Cb -0.13 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 1j1f s ALA 167 CO 0.02 -0.20 0.31 0.00 0.00 0.00 0.00 175.76 175.89 1j1f s PHE 169 N -0.51 1.64 1.13 0.00 0.40 -0.48 -0.65 117.98 119.50 1j1f s PHE 169 Ca 0.19 -0.47 -0.17 0.00 -0.60 0.00 0.00 56.93 55.89 1j1f s PHE 169 Cb -0.14 -0.86 0.25 0.00 0.51 0.00 0.00 43.02 42.77 1j1f s PHE 169 CO 0.08 0.21 1.11 0.00 0.70 0.00 0.00 175.22 177.32 1j1f s ALA 170 N -1.69 0.75 0.37 5.36 0.00 0.34 -0.88 121.76 126.01 1j1f s ALA 170 Ca 0.09 -0.75 0.38 0.00 0.00 0.00 0.00 51.96 51.68 1j1f s ALA 170 Cb -0.07 -2.97 1.99 0.00 0.00 0.00 0.00 23.12 22.07 1j1f s ALA 170 CO 0.04 -3.30 2.15 -0.56 0.00 0.00 0.00 175.76 174.09 1j1f h GLN 171 N -2.32 0.00 0.00 0.00 3.07 -1.89 -0.80 115.11 113.18 1j1f h GLN 171 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1j1f h GLN 171 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1j1f h GLN 171 CO 0.43 0.00 0.00 -0.40 0.09 0.00 0.00 178.83 178.95 1j1f n ASP 172 N -2.86 0.00 -0.66 0.06 5.68 -1.26 -4.88 116.55 112.64 1j1f n ASP 172 Ca -0.02 0.28 -0.09 0.00 -0.50 0.00 0.00 54.79 54.46 1j1f n ASP 172 Cb 0.09 -0.41 -0.04 0.00 -1.14 0.00 0.00 41.12 39.63 1j1f n ASP 172 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j1f n GLY 173 N 0.55 0.96 0.00 6.12 0.00 -0.31 -4.76 105.19 107.76 1j1f n GLY 173 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1j1f n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j1f n SER 174 N -0.37 0.75 -4.61 1.61 3.41 -1.26 -4.99 113.62 108.17 1j1f n SER 174 Ca -0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.11 1j1f n SER 174 Cb 0.40 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1j1f n SER 174 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j1f s THR 175 N -1.15 4.83 0.38 6.66 2.01 -1.26 -4.96 115.64 122.15 1j1f s THR 175 Ca 0.00 1.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.82 1j1f s THR 175 Cb 0.00 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 1j1f s THR 175 CO 0.00 -0.23 1.22 -0.22 -0.69 0.00 0.00 174.62 174.70 1j1f s LEU 176 N 2.86 4.26 0.18 4.42 2.96 -1.26 -0.51 118.68 131.59 1j1f s LEU 176 Ca 0.30 2.47 0.01 0.00 -0.22 0.00 0.00 54.13 56.70 1j1f s LEU 176 Cb -0.14 -3.91 -0.05 0.00 0.50 0.00 0.00 46.19 42.59 1j1f s LEU 176 CO 0.12 -0.67 0.02 0.27 -1.32 0.00 0.00 176.35 174.78 1j1f s ILE 177 N -1.32 0.61 0.32 6.68 -4.36 0.17 -4.80 121.20 118.51 1j1f s ILE 177 Ca 0.55 -1.98 -0.28 0.00 -0.26 0.00 0.00 60.65 58.68 1j1f s ILE 177 Cb -0.34 -2.19 -0.10 0.00 1.25 0.00 0.00 42.46 41.09 1j1f s ILE 177 CO 0.43 -0.40 1.17 -1.81 0.24 0.00 0.00 174.94 174.57 1j1f s ASP 178 N -3.18 7.00 0.59 4.36 1.01 -1.26 -4.13 116.67 121.05 1j1f s ASP 178 Ca 0.26 2.41 -0.08 0.00 0.71 0.00 0.00 52.55 55.84 1j1f s ASP 178 Cb 0.06 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1j1f s ASP 178 CO 0.05 -0.35 0.94 0.00 0.21 0.00 0.00 175.17 176.03 1j1f n THR 180 N -2.61 0.60 -3.80 0.00 -2.24 -1.26 -4.88 114.28 100.08 1j1f n THR 180 Ca 0.04 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 60.98 1j1f n THR 180 Cb 0.56 0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 69.42 1j1f n THR 180 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1j1f s ARG 181 N -0.60 0.29 0.09 -0.78 3.52 -1.26 -5.15 118.95 115.05 1j1f s ARG 181 Ca 0.00 0.28 0.06 0.00 -0.13 0.00 0.00 55.73 55.94 1j1f s ARG 181 Cb 0.00 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.50 1j1f s ARG 181 CO 0.00 -0.04 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.78 1j1f s ASP 182 N 0.03 1.97 -0.21 -2.12 1.01 -1.26 -4.19 116.67 111.89 1j1f s ASP 182 Ca -0.01 -0.65 0.12 0.00 0.71 0.00 0.00 52.55 52.72 1j1f s ASP 182 Cb -0.02 -0.08 0.42 0.00 1.01 0.00 0.00 42.92 44.26 1j1f s ASP 182 CO 0.00 -0.04 1.28 0.35 0.21 0.00 0.00 175.17 176.98 1j1f n THR 183 N 1.16 2.24 -4.24 -1.27 -2.24 0.32 -4.97 114.28 105.28 1j1f n THR 183 Ca -0.20 -2.84 -0.28 0.00 -2.27 0.00 0.00 64.05 58.46 1j1f n THR 183 Cb 0.54 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.42 1j1f n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j1f n GLY 185 N 0.37 -0.15 0.28 0.00 0.00 -1.26 -4.94 105.19 99.48 1j1f n GLY 185 Ca -0.12 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.19 1j1f n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1f h ALA 186 N -1.14 1.59 -2.70 4.61 0.00 -2.00 -3.41 119.26 116.20 1j1f h ALA 186 Ca -0.11 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 1j1f h ALA 186 Cb 0.36 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.96 1j1f h ALA 186 CO 0.10 0.03 -0.71 -0.80 0.00 0.00 0.00 179.25 177.87 1j1f s ASN 187 N -6.36 0.76 0.09 0.00 0.01 -1.26 -0.67 114.94 107.51 1j1f s ASN 187 Ca -0.05 -0.75 -0.26 0.00 -0.71 0.00 0.00 52.86 51.09 1j1f s ASN 187 Cb 0.15 0.09 0.08 0.00 0.41 0.00 0.00 41.25 41.99 1j1f s ASN 187 CO 0.58 -0.37 0.79 0.72 -1.51 0.00 0.00 177.10 177.31 1j1f s PHE 188 N -2.50 -0.38 0.07 2.20 -0.12 -0.95 -4.90 117.98 111.41 1j1f s PHE 188 Ca -0.02 0.17 -0.24 0.00 -0.05 0.00 0.00 56.93 56.80 1j1f s PHE 188 Cb -0.02 0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 42.87 1j1f s PHE 188 CO -0.03 -0.72 0.73 0.42 -0.05 0.00 0.00 175.22 175.56 1j1f s ILE 189 N -3.40 4.68 0.00 -4.49 -1.09 0.63 -0.12 121.20 117.41 1j1f s ILE 189 Ca 0.05 1.56 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 1j1f s ILE 189 Cb -0.01 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 1j1f s ILE 189 CO -0.08 0.42 0.00 0.33 -1.23 0.00 0.00 174.94 174.38