#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3w s VAL 7 N 0.00 0.16 -0.14 1.96 1.01 -1.26 -5.03 120.40 117.10 1j3w s VAL 7 Ca 0.00 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 1j3w s VAL 7 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1j3w s VAL 7 CO 0.00 0.22 0.68 -0.76 0.00 0.00 0.00 175.10 175.24 1j3w s LEU 8 N 2.00 4.22 0.08 3.92 1.43 -1.26 -5.03 118.68 124.04 1j3w s LEU 8 Ca 0.04 1.01 -0.15 0.00 -1.03 0.00 0.00 54.13 54.00 1j3w s LEU 8 Cb -0.12 -3.00 0.03 0.00 0.03 0.00 0.00 46.19 43.12 1j3w s LEU 8 CO -0.04 -0.22 0.36 -0.72 0.23 0.00 0.00 176.35 175.96 1j3w s TYR 9 N 1.49 -0.16 0.00 0.29 1.13 -1.26 -4.73 117.35 114.10 1j3w s TYR 9 Ca 0.33 -0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.95 1j3w s TYR 9 Cb -0.16 0.18 0.00 0.00 -1.10 0.00 0.00 41.96 40.87 1j3w s TYR 9 CO 0.13 -0.61 0.00 0.41 -2.51 0.00 0.00 175.55 172.98 1j3w n GLY 10 N 0.17 0.51 0.21 5.49 0.00 -1.26 -3.86 105.19 106.46 1j3w n GLY 10 Ca -0.17 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 1j3w n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3w h ALA 11 N -0.36 0.50 -0.88 4.61 0.00 -1.99 -1.36 119.26 119.78 1j3w h ALA 11 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1j3w h ALA 11 Cb 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1j3w h ALA 11 CO 0.00 -0.40 0.58 -1.35 0.00 0.00 0.00 179.25 178.08 1j3w h PRO 12 N 0.10 1.05 -0.17 0.00 0.11 -1.96 -0.52 132.00 130.61 1j3w h PRO 12 Ca 0.28 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1j3w h PRO 12 Cb 0.43 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1j3w h PRO 12 CO -0.48 0.70 0.04 -0.92 -0.21 0.00 0.00 178.00 177.13 1j3w h TYR 13 N 1.08 0.29 -0.69 0.65 3.20 -1.40 -0.76 116.97 119.35 1j3w h TYR 13 Ca 0.36 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.25 1j3w h TYR 13 Cb 0.06 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 1j3w h TYR 13 CO -0.00 0.41 0.40 0.93 -1.64 0.00 0.00 178.16 178.25 1j3w h GLU 14 N 0.09 0.72 -0.75 1.82 5.08 -0.70 -0.73 114.58 120.11 1j3w h GLU 14 Ca 0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1j3w h GLU 14 Cb 0.26 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1j3w h GLU 14 CO 0.00 0.48 0.34 0.00 -1.00 0.00 0.00 179.01 178.83 1j3w h ARG 15 N 0.74 1.09 -0.36 2.33 2.47 -0.88 -1.37 114.38 118.40 1j3w h ARG 15 Ca 0.30 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.82 1j3w h ARG 15 Cb 0.16 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 1j3w h ARG 15 CO -0.17 0.86 0.10 0.00 0.56 0.00 0.00 179.97 181.33 1j3w h ALA 16 N 1.17 0.47 -0.90 0.04 0.00 -0.42 -1.93 119.26 117.70 1j3w h ALA 16 Ca 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1j3w h ALA 16 Cb 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1j3w h ALA 16 CO -0.03 0.13 0.52 0.28 0.00 0.00 0.00 179.25 180.15 1j3w h VAL 17 N 0.43 1.25 -0.65 0.00 2.07 -0.95 -1.24 116.25 117.17 1j3w h VAL 17 Ca 0.12 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1j3w h VAL 17 Cb 0.27 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 1j3w h VAL 17 CO -0.00 0.28 0.43 -0.33 0.02 0.00 0.00 177.57 177.97 1j3w h GLU 18 N 1.25 0.86 -0.64 1.57 5.08 -0.97 -0.10 114.58 121.63 1j3w h GLU 18 Ca 0.32 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1j3w h GLU 18 Cb -0.01 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1j3w h GLU 18 CO -0.06 0.57 0.29 0.28 -1.00 0.00 0.00 179.01 179.10 1j3w h VAL 19 N 0.89 1.23 -0.59 3.13 2.07 -0.77 -1.36 116.25 120.84 1j3w h VAL 19 Ca 0.24 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1j3w h VAL 19 Cb -0.10 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1j3w h VAL 19 CO -0.05 0.27 0.29 -0.07 0.02 0.00 0.00 177.57 178.02 1j3w h LEU 20 N 0.89 0.77 -0.21 2.57 3.38 -0.60 -0.00 115.31 122.12 1j3w h LEU 20 Ca 0.22 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1j3w h LEU 20 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1j3w h LEU 20 CO -0.02 0.68 0.10 -0.33 0.09 0.00 0.00 178.44 178.96 1j3w h GLU 21 N 0.81 0.21 -0.65 1.13 5.08 -0.76 -1.61 114.58 118.79 1j3w h GLU 21 Ca 0.20 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1j3w h GLU 21 Cb 0.11 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1j3w h GLU 21 CO -0.03 0.14 0.21 0.93 -1.00 0.00 0.00 179.01 179.26 1j3w h GLU 22 N 0.22 0.98 -0.67 2.33 5.08 -1.02 -2.62 114.58 118.88 1j3w h GLU 22 Ca 0.08 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1j3w h GLU 22 Cb 0.02 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1j3w h GLU 22 CO -0.06 0.83 0.14 1.15 -1.00 0.00 0.00 179.01 180.07 1j3w h THR 23 N 0.95 1.26 -0.57 1.13 2.02 -0.60 -1.12 112.91 115.97 1j3w h THR 23 Ca 0.21 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1j3w h THR 23 Cb 0.26 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1j3w h THR 23 CO -0.01 0.37 0.27 -0.07 0.37 0.00 0.00 175.52 176.46 1j3w h LEU 24 N 1.02 0.75 -0.81 2.58 3.38 -1.02 -0.65 115.31 120.57 1j3w h LEU 24 Ca 0.21 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1j3w h LEU 24 Cb 0.40 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1j3w h LEU 24 CO 0.01 0.67 0.11 0.03 0.09 0.00 0.00 178.44 179.35 1j3w h ARG 25 N 0.78 1.01 -0.01 1.13 3.08 -1.12 0.25 114.38 119.49 1j3w h ARG 25 Ca 0.20 -0.25 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 1j3w h ARG 25 Cb 0.12 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1j3w h ARG 25 CO -0.02 0.92 -0.81 0.93 -1.07 0.00 0.00 179.97 179.92 1j3w h GLU 26 N 0.95 0.17 0.00 0.04 4.39 -0.96 -3.36 114.58 115.81 1j3w h GLU 26 Ca 0.19 -0.17 -0.29 0.00 0.34 0.00 0.00 59.36 59.43 1j3w h GLU 26 Cb 0.40 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 1j3w h GLU 26 CO 0.01 0.89 -1.98 0.25 -1.16 0.00 0.00 179.01 177.01 1j3w n THR 27 N -3.69 1.37 -0.63 1.13 -2.24 -0.27 -4.87 114.28 105.07 1j3w n THR 27 Ca -0.03 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1j3w n THR 27 Cb 0.76 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1j3w n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3w n GLY 28 N 1.60 0.73 3.73 3.38 0.00 0.07 -3.97 105.19 110.73 1j3w n GLY 28 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1j3w n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3w s ALA 29 N -2.43 1.85 -0.16 4.61 0.00 -1.23 -4.23 121.76 120.17 1j3w s ALA 29 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.89 1j3w s ALA 29 Cb 0.00 -3.26 -0.20 0.00 0.00 0.00 0.00 23.12 19.66 1j3w s ALA 29 CO 0.00 -2.13 0.45 0.00 0.00 0.00 0.00 175.76 174.08 1j3w h ARG 30 N -1.39 0.00 -4.97 0.00 3.08 -1.23 -3.43 114.38 106.44 1j3w h ARG 30 Ca -0.46 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.18 1j3w h ARG 30 Cb 1.26 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 31.04 1j3w h ARG 30 CO 0.52 0.88 -0.78 0.71 -1.07 0.00 0.00 179.97 180.22 1j3w s TYR 31 N -2.23 0.98 -0.03 3.04 2.02 -1.01 -0.58 117.35 119.54 1j3w s TYR 31 Ca -0.21 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1j3w s TYR 31 Cb 0.01 -0.60 0.00 0.00 -0.40 0.00 0.00 41.96 40.97 1j3w s TYR 31 CO 0.58 -0.00 -0.10 0.00 -1.57 0.00 0.00 175.55 174.45 1j3w s ALA 32 N -0.59 0.96 0.01 3.71 0.00 -0.39 -1.04 121.76 124.44 1j3w s ALA 32 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1j3w s ALA 32 Cb -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1j3w s ALA 32 CO 0.00 0.16 -0.00 -0.51 0.00 0.00 0.00 175.76 175.41 1j3w s LEU 33 N 0.18 2.10 -0.17 0.00 1.02 0.11 -1.20 118.68 120.72 1j3w s LEU 33 Ca -0.03 -0.39 -0.00 0.00 0.02 0.00 0.00 54.13 53.72 1j3w s LEU 33 Cb -0.09 0.18 0.00 0.00 0.02 0.00 0.00 46.19 46.30 1j3w s LEU 33 CO 0.01 -0.27 -0.15 -0.22 0.02 0.00 0.00 176.35 175.73 1j3w s LEU 34 N -1.27 2.43 0.11 1.79 2.96 -0.01 -0.57 118.68 124.12 1j3w s LEU 34 Ca -0.14 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.30 1j3w s LEU 34 Cb -0.08 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1j3w s LEU 34 CO -0.01 0.04 -0.11 0.27 -1.32 0.00 0.00 176.35 175.23 1j3w s ILE 35 N 1.05 1.06 0.71 6.68 -4.36 -0.38 -0.55 121.20 125.43 1j3w s ILE 35 Ca -0.01 -1.76 -0.06 0.00 -0.26 0.00 0.00 60.65 58.55 1j3w s ILE 35 Cb -0.15 -1.52 0.07 0.00 1.25 0.00 0.00 42.46 42.12 1j3w s ILE 35 CO -0.04 -0.59 1.02 1.51 0.24 0.00 0.00 174.94 177.08 1j3w s ASP 36 N -2.64 4.72 0.00 4.36 3.84 -0.40 0.03 116.67 126.57 1j3w s ASP 36 Ca 0.09 0.37 0.14 0.00 -0.00 0.00 0.00 52.55 53.15 1j3w s ASP 36 Cb -0.02 -0.98 0.79 0.00 -1.38 0.00 0.00 42.92 41.33 1j3w s ASP 36 CO 0.01 -1.65 1.33 0.54 -0.00 0.00 0.00 175.17 175.39 1j3w n ARG 37 N -2.93 0.33 0.00 2.11 1.74 -1.18 -1.44 116.66 115.29 1j3w n ARG 37 Ca 0.09 0.08 0.11 0.00 -0.77 0.00 0.00 57.85 57.35 1j3w n ARG 37 Cb 0.60 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 1j3w n ARG 37 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1j3w n LYS 38 N -1.14 0.65 0.00 5.56 4.01 -1.26 -4.80 118.16 121.18 1j3w n LYS 38 Ca 0.09 -0.53 0.00 0.00 -0.51 0.00 0.00 58.31 57.36 1j3w n LYS 38 Cb 0.08 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 1j3w n LYS 38 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j3w n GLY 39 N 1.45 0.64 3.71 0.72 0.00 -0.52 -4.87 105.19 106.31 1j3w n GLY 39 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1j3w n GLY 39 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j3w s PHE 40 N -2.00 3.38 -0.37 1.61 5.36 -1.26 -4.05 117.98 120.65 1j3w s PHE 40 Ca 0.00 1.28 -0.28 0.00 -0.96 0.00 0.00 56.93 56.97 1j3w s PHE 40 Cb 0.00 -3.42 0.02 0.00 -0.34 0.00 0.00 43.02 39.28 1j3w s PHE 40 CO 0.00 -1.28 1.04 0.08 -1.46 0.00 0.00 175.22 173.59 1j3w s VAL 41 N 1.30 4.47 0.01 3.12 1.01 -1.26 -1.28 120.40 127.77 1j3w s VAL 41 Ca 0.58 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.98 1j3w s VAL 41 Cb -0.28 -4.43 -0.27 0.00 0.00 0.00 0.00 36.38 31.39 1j3w s VAL 41 CO 0.28 -0.61 0.89 -0.07 0.00 0.00 0.00 175.10 175.58 1j3w h LEU 42 N 10.32 0.36 -7.00 3.92 3.38 -1.17 -3.48 115.31 121.64 1j3w h LEU 42 Ca -0.22 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 1j3w h LEU 42 Cb 1.07 -0.12 -0.21 0.00 0.09 0.00 0.00 40.66 41.49 1j3w h LEU 42 CO 1.04 1.41 0.34 0.00 0.09 0.00 0.00 178.44 181.31 1j3w s ALA 43 N -2.62 -1.84 -0.03 1.53 0.00 -1.06 -4.71 121.76 113.03 1j3w s ALA 43 Ca -0.08 1.45 -0.21 0.00 0.00 0.00 0.00 51.96 53.11 1j3w s ALA 43 Cb 0.07 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.91 1j3w s ALA 43 CO 0.85 -0.34 0.46 -3.38 0.00 0.00 0.00 175.76 173.35 1j3w s HIS 44 N -1.11 -0.38 -0.03 0.00 -3.43 -1.26 -0.83 115.29 108.25 1j3w s HIS 44 Ca -0.07 0.63 -0.08 0.00 -0.80 0.00 0.00 55.06 54.74 1j3w s HIS 44 Cb -0.00 0.23 0.01 0.00 -1.43 0.00 0.00 32.58 31.38 1j3w s HIS 44 CO 0.06 -0.48 0.18 0.15 -2.00 0.00 0.00 174.74 172.65 1j3w s LYS 45 N -1.26 0.39 0.08 -0.38 -0.14 -0.34 -5.02 119.74 113.07 1j3w s LYS 45 Ca -0.12 -0.08 0.08 0.00 -1.36 0.00 0.00 55.97 54.49 1j3w s LYS 45 Cb -0.03 0.17 -0.03 0.00 -1.68 0.00 0.00 37.83 36.26 1j3w s LYS 45 CO 0.07 -0.08 -0.22 -1.21 -0.76 0.00 0.00 175.35 173.14 1j3w s GLU 46 N -0.72 1.30 0.20 1.68 8.01 -1.26 -1.26 118.70 126.65 1j3w s GLU 46 Ca -0.08 -1.10 -0.30 0.00 0.01 0.00 0.00 54.97 53.50 1j3w s GLU 46 Cb -0.05 -1.53 -0.08 0.00 -4.31 0.00 0.00 34.13 28.16 1j3w s GLU 46 CO 0.01 0.37 1.19 0.00 0.01 0.00 0.00 175.26 176.85 1j3w s ALA 47 N -0.99 3.44 0.38 5.21 0.00 0.25 -4.92 121.76 125.13 1j3w s ALA 47 Ca 0.08 0.96 0.07 0.00 0.00 0.00 0.00 51.96 53.07 1j3w s ALA 47 Cb -0.10 -3.41 0.79 0.00 0.00 0.00 0.00 23.12 20.41 1j3w s ALA 47 CO 0.03 -0.36 1.99 1.25 0.00 0.00 0.00 175.76 178.67 1j3w h LEU 48 N 5.02 0.59 -0.85 0.00 5.85 -1.97 -2.12 115.31 121.82 1j3w h LEU 48 Ca -0.45 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1j3w h LEU 48 Cb 1.21 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1j3w h LEU 48 CO 0.73 0.40 -0.05 4.11 -0.34 0.00 0.00 178.44 183.29 1j3w h TRP 49 N 0.68 0.00 -4.04 1.25 5.08 -1.97 -3.46 115.95 113.49 1j3w h TRP 49 Ca 0.26 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.75 1j3w h TRP 49 Cb 0.17 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.34 1j3w h TRP 49 CO -0.00 0.05 0.29 0.00 -1.28 0.00 0.00 178.44 177.50 1j3w s ALA 50 N -3.48 3.15 1.01 0.11 0.00 -0.80 -5.06 121.76 116.69 1j3w s ALA 50 Ca 0.03 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 1j3w s ALA 50 Cb 0.08 -2.99 0.19 0.00 0.00 0.00 0.00 23.12 20.40 1j3w s ALA 50 CO 0.61 -0.15 1.12 -1.25 0.00 0.00 0.00 175.76 176.08 1j3w s PRO 51 N -3.97 0.32 0.23 0.00 0.04 -1.26 -4.91 135.00 125.46 1j3w s PRO 51 Ca 0.57 0.29 -0.31 0.00 0.04 0.00 0.00 61.00 61.58 1j3w s PRO 51 Cb -0.10 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.56 1j3w s PRO 51 CO 0.31 -2.75 1.44 1.17 0.04 0.00 0.00 177.00 177.21 1j3w n LYS 52 N -4.15 2.10 -1.66 4.56 4.81 -1.26 -4.95 118.16 117.61 1j3w n LYS 52 Ca 0.07 0.75 -0.30 0.00 -0.87 0.00 0.00 58.31 57.96 1j3w n LYS 52 Cb 0.58 -2.43 0.09 0.00 0.02 0.00 0.00 35.03 33.29 1j3w n LYS 52 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1j3w s PRO 53 N -0.26 2.11 0.91 1.64 0.04 -1.26 -5.03 135.00 133.14 1j3w s PRO 53 Ca 0.69 0.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.11 1j3w s PRO 53 Cb -0.64 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.10 1j3w s PRO 53 CO 0.48 -1.57 1.09 -1.25 0.04 0.00 0.00 177.00 175.79 1j3w s PRO 54 N -5.26 1.15 -0.23 0.56 0.04 -1.26 -4.81 135.00 125.19 1j3w s PRO 54 Ca 0.61 0.72 -0.37 0.00 0.04 0.00 0.00 61.00 62.00 1j3w s PRO 54 Cb -0.13 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 1j3w s PRO 54 CO 0.53 -2.29 1.90 -0.35 0.04 0.00 0.00 177.00 176.83 1j3w n PRO 55 N -3.90 1.51 0.01 0.56 -0.04 -1.26 -4.84 135.00 127.05 1j3w n PRO 55 Ca 0.07 0.53 -0.01 0.00 -0.04 0.00 0.00 63.50 64.05 1j3w n PRO 55 Cb 0.56 -2.39 0.27 0.00 -0.04 0.00 0.00 33.50 31.90 1j3w n PRO 55 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1j3w h LEU 56 N 9.13 0.47 -0.77 1.53 3.38 -1.99 -1.47 115.31 125.57 1j3w h LEU 56 Ca -0.43 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.32 1j3w h LEU 56 Cb 1.30 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1j3w h LEU 56 CO 0.97 0.61 -0.26 0.44 0.09 0.00 0.00 178.44 180.30 1j3w h ASP 57 N 0.45 0.66 -0.23 -0.43 3.32 -1.94 -0.11 116.42 118.14 1j3w h ASP 57 Ca 0.09 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1j3w h ASP 57 Cb 0.46 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1j3w h ASP 57 CO 0.03 0.89 0.05 0.74 -1.72 0.00 0.00 179.24 179.22 1j3w h THR 58 N 0.56 1.22 -0.25 0.35 2.02 -1.83 -0.83 112.91 114.14 1j3w h THR 58 Ca 0.08 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.56 1j3w h THR 58 Cb 0.73 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1j3w h THR 58 CO 0.06 0.23 0.10 0.25 0.37 0.00 0.00 175.52 176.52 1j3w h LEU 59 N 0.19 0.12 -0.62 2.58 5.85 -1.04 -1.68 115.31 120.71 1j3w h LEU 59 Ca 0.07 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1j3w h LEU 59 Cb 0.30 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1j3w h LEU 59 CO 0.00 0.10 0.40 0.00 -0.34 0.00 0.00 178.44 178.60 1j3w h ALA 60 N 1.15 0.79 -0.66 1.25 0.00 -0.86 -0.04 119.26 120.89 1j3w h ALA 60 Ca 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1j3w h ALA 60 Cb 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1j3w h ALA 60 CO -0.10 0.24 0.30 1.15 0.00 0.00 0.00 179.25 180.84 1j3w h THR 61 N 0.84 1.23 -0.24 0.00 2.02 -0.88 -0.87 112.91 115.00 1j3w h THR 61 Ca 0.23 -0.66 -0.13 0.00 0.77 0.00 0.00 66.41 66.61 1j3w h THR 61 Cb -0.07 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1j3w h THR 61 CO -0.05 0.27 -0.41 -0.07 0.37 0.00 0.00 175.52 175.64 1j3w h LEU 62 N 0.92 0.61 -0.52 2.58 3.38 -0.96 -1.05 115.31 120.27 1j3w h LEU 62 Ca 0.22 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1j3w h LEU 62 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1j3w h LEU 62 CO -0.03 0.95 0.09 0.58 0.09 0.00 0.00 178.44 180.12 1j3w h VAL 63 N 0.48 1.25 -0.75 1.22 2.07 -0.71 -0.63 116.25 119.17 1j3w h VAL 63 Ca 0.04 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 1j3w h VAL 63 Cb 0.91 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1j3w h VAL 63 CO 0.08 0.33 0.28 0.00 0.02 0.00 0.00 177.57 178.28 1j3w h ALA 64 N 0.98 1.07 -0.72 1.67 0.00 -1.00 -0.54 119.26 120.73 1j3w h ALA 64 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1j3w h ALA 64 Cb 0.39 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1j3w h ALA 64 CO 0.01 0.65 0.31 0.78 0.00 0.00 0.00 179.25 181.00 1j3w h GLY 65 N 1.13 1.13 1.07 0.00 0.00 -0.82 -2.46 103.07 103.11 1j3w h GLY 65 Ca 0.25 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1j3w h GLY 65 CO -0.02 0.56 0.06 -0.57 0.00 0.00 0.00 176.54 176.58 1j3w h ASN 66 N 1.02 1.03 -0.61 0.19 -1.24 -0.67 -1.37 115.58 113.94 1j3w h ASN 66 Ca 0.24 -0.28 0.05 0.00 0.71 0.00 0.00 56.30 57.02 1j3w h ASN 66 Cb 0.17 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 1j3w h ASN 66 CO -0.02 1.06 0.40 0.00 -1.29 0.00 0.00 177.43 177.57 1j3w h ALA 67 N 1.02 1.73 0.08 1.57 0.00 -0.72 -1.07 119.26 121.87 1j3w h ALA 67 Ca 0.19 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.80 1j3w h ALA 67 Cb 0.49 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.13 1j3w h ALA 67 CO 0.02 0.19 -1.10 0.00 0.00 0.00 0.00 179.25 178.36 1j3w h ALA 68 N 1.66 0.02 -0.37 0.00 0.00 -1.17 -3.35 119.26 116.05 1j3w h ALA 68 Ca 0.25 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1j3w h ALA 68 Cb 0.17 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1j3w h ALA 68 CO -0.07 0.62 -0.06 0.00 0.00 0.00 0.00 179.25 179.74 1j3w h ALA 69 N 0.30 1.22 0.00 0.00 0.00 -0.49 -2.97 119.26 117.31 1j3w h ALA 69 Ca -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1j3w h ALA 69 Cb 1.78 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1j3w h ALA 69 CO 0.21 0.51 0.00 0.25 0.00 0.00 0.00 179.25 180.22 1j3w n THR 70 N -4.22 0.02 0.22 0.00 -2.24 -0.48 -3.66 114.28 103.92 1j3w n THR 70 Ca 0.01 0.01 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1j3w n THR 70 Cb 0.30 -0.53 0.49 0.00 -2.10 0.00 0.00 70.33 68.49 1j3w n THR 70 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1j3w h GLN 71 N 0.00 0.00 -0.36 -0.78 4.20 -1.67 -1.91 115.11 114.59 1j3w h GLN 71 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1j3w h GLN 71 Cb 0.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1j3w h GLN 71 CO 0.00 0.25 0.14 0.00 -0.67 0.00 0.00 178.83 178.55 1j3w h ALA 72 N 1.75 0.47 -0.37 3.87 0.00 -1.80 0.88 119.26 124.06 1j3w h ALA 72 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1j3w h ALA 72 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1j3w h ALA 72 CO 0.03 0.08 0.16 -0.07 0.00 0.00 0.00 179.25 179.46 1j3w h LEU 73 N 0.44 0.51 -0.24 0.00 3.38 -1.72 -1.45 115.31 116.23 1j3w h LEU 73 Ca 0.12 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1j3w h LEU 73 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1j3w h LEU 73 CO -0.01 0.52 0.09 0.00 0.09 0.00 0.00 178.44 179.13 1j3w h ALA 74 N 1.01 0.27 -0.34 1.53 0.00 -1.05 -2.41 119.26 118.26 1j3w h ALA 74 Ca 0.13 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1j3w h ALA 74 Cb 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1j3w h ALA 74 CO -0.01 -0.32 -0.01 0.87 0.00 0.00 0.00 179.25 179.78 1j3w h LYS 75 N 0.20 0.53 -0.00 0.00 1.57 0.02 0.70 116.57 119.59 1j3w h LYS 75 Ca 0.10 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1j3w h LYS 75 Cb 0.06 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1j3w h LYS 75 CO -0.10 0.56 -0.14 1.25 -0.57 0.00 0.00 179.45 180.45 1j3w h LEU 76 N 0.51 0.01 -1.53 2.94 5.85 -0.80 -0.90 115.31 121.40 1j3w h LEU 76 Ca 0.11 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1j3w h LEU 76 Cb 0.34 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1j3w h LEU 76 CO 0.01 0.15 0.00 0.18 -0.34 0.00 0.00 178.44 178.44 1j3w n LEU 77 N -4.37 2.25 0.00 2.25 4.77 -0.51 -4.92 117.00 116.47 1j3w n LEU 77 Ca -0.03 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 1j3w n LEU 77 Cb 0.21 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1j3w n LEU 77 CO 0.36 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1j3w n GLY 78 N 1.22 0.66 3.68 -0.72 0.00 -0.34 -5.06 105.19 104.63 1j3w n GLY 78 Ca 0.16 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1j3w n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3w s GLU 79 N -0.49 2.55 0.13 1.61 0.41 0.12 -4.96 118.70 118.07 1j3w s GLU 79 Ca 0.00 -0.83 -0.13 0.00 -0.41 0.00 0.00 54.97 53.61 1j3w s GLU 79 Cb 0.00 -2.54 -0.04 0.00 -1.78 0.00 0.00 34.13 29.76 1j3w s GLU 79 CO 0.00 0.55 1.48 0.00 -0.49 0.00 0.00 175.26 176.80 1j3w h ALA 80 N 3.51 0.54 -2.18 5.21 0.00 -1.94 -1.91 119.26 122.50 1j3w h ALA 80 Ca -0.48 -0.39 0.17 0.00 0.00 0.00 0.00 54.91 54.21 1j3w h ALA 80 Cb 1.17 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1j3w h ALA 80 CO 0.59 0.54 0.54 -0.98 0.00 0.00 0.00 179.25 179.94 1j3w s ARG 81 N -4.53 0.93 -0.08 0.00 1.70 -1.26 -4.55 118.95 111.16 1j3w s ARG 81 Ca -0.12 -0.46 -0.24 0.00 -0.47 0.00 0.00 55.73 54.44 1j3w s ARG 81 Cb 0.10 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.81 1j3w s ARG 81 CO 0.85 -0.42 0.75 -0.06 -1.08 0.00 0.00 175.30 175.34 1j3w s PHE 82 N -3.09 3.56 0.06 5.89 0.08 -1.26 -4.95 117.98 118.26 1j3w s PHE 82 Ca 0.10 1.29 0.09 0.00 0.12 0.00 0.00 56.93 58.53 1j3w s PHE 82 Cb -0.01 -2.88 -0.19 0.00 -0.57 0.00 0.00 43.02 39.38 1j3w s PHE 82 CO -0.03 0.02 1.19 1.96 -0.10 0.00 0.00 175.22 178.26 1j3w h GLN 83 N 6.88 0.00 -4.48 0.44 7.50 -2.01 -3.46 115.11 119.98 1j3w h GLN 83 Ca -0.39 0.00 -0.40 0.00 0.50 0.00 0.00 58.65 58.36 1j3w h GLN 83 Cb 1.19 0.00 -0.30 0.00 0.05 0.00 0.00 27.48 28.41 1j3w h GLN 83 CO 0.77 0.86 -0.78 -2.00 -1.50 0.00 0.00 178.83 176.18 1j3w s GLU 84 N -2.72 0.79 0.00 1.46 2.12 -1.26 -1.35 118.70 117.74 1j3w s GLU 84 Ca 0.00 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1j3w s GLU 84 Cb 0.09 -0.76 -0.00 0.00 0.26 0.00 0.00 34.13 33.72 1j3w s GLU 84 CO 0.81 0.10 -0.00 -1.21 -0.54 0.00 0.00 175.26 174.42 1j3w s GLU 85 N 0.17 0.02 -0.07 4.30 2.02 -0.02 -5.01 118.70 120.11 1j3w s GLU 85 Ca -0.02 -0.03 0.02 0.00 0.02 0.00 0.00 54.97 54.96 1j3w s GLU 85 Cb -0.07 -0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.16 1j3w s GLU 85 CO 0.00 0.00 -0.13 0.08 0.02 0.00 0.00 175.26 175.23 1j3w s VAL 86 N -0.07 1.20 -0.13 2.63 1.01 -1.26 -1.12 120.40 122.66 1j3w s VAL 86 Ca -0.01 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1j3w s VAL 86 Cb -0.00 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.30 1j3w s VAL 86 CO -0.00 0.37 -0.17 -1.00 0.00 0.00 0.00 175.10 174.30 1j3w s HIS 87 N 0.68 2.24 -0.10 5.22 3.76 -0.11 -4.99 115.29 121.99 1j3w s HIS 87 Ca -0.14 -1.16 0.03 0.00 -0.15 0.00 0.00 55.06 53.64 1j3w s HIS 87 Cb -0.16 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.94 1j3w s HIS 87 CO 0.04 -0.59 -0.22 -1.14 -0.85 0.00 0.00 174.74 171.98 1j3w s GLN 88 N 1.13 2.85 0.00 1.40 2.00 -1.26 -0.30 119.66 125.48 1j3w s GLN 88 Ca -0.02 -0.81 0.00 0.00 -2.00 0.00 0.00 55.36 52.53 1j3w s GLN 88 Cb -0.14 -2.21 0.00 0.00 0.80 0.00 0.00 33.01 31.46 1j3w s GLN 88 CO -0.05 0.11 0.00 0.41 -0.50 0.00 0.00 175.29 175.26 1j3w n GLY 89 N 3.69 3.15 0.19 2.59 0.00 0.58 -5.01 105.19 110.38 1j3w n GLY 89 Ca -0.20 -2.02 -0.15 0.00 0.00 0.00 0.00 46.02 43.65 1j3w n GLY 89 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j3w h GLU 90 N 0.00 0.61 0.00 1.61 4.39 -2.03 -3.41 114.58 115.76 1j3w h GLU 90 Ca 0.00 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1j3w h GLU 90 Cb 0.00 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1j3w h GLU 90 CO 0.00 1.18 -0.91 0.54 -1.16 0.00 0.00 179.01 178.66 1j3w n ARG 91 N -3.86 2.66 -4.30 2.33 1.74 -1.26 -5.01 116.66 108.96 1j3w n ARG 91 Ca -0.07 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.70 1j3w n ARG 91 Cb 0.78 -0.95 -0.10 0.00 -1.02 0.00 0.00 32.46 31.17 1j3w n ARG 91 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1j3w s MET 92 N -1.91 2.20 0.14 5.56 -1.94 -1.26 -3.62 119.30 118.47 1j3w s MET 92 Ca 0.00 -0.97 0.05 0.00 -1.71 0.00 0.00 55.69 53.06 1j3w s MET 92 Cb 0.00 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 1j3w s MET 92 CO 0.00 0.53 -0.12 0.20 -0.01 0.00 0.00 175.02 175.62 1j3w s GLY 93 N -2.01 1.08 -0.04 -0.03 0.00 0.72 -0.31 107.32 106.73 1j3w s GLY 93 Ca 0.20 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.53 1j3w s GLY 93 CO 0.12 -1.50 -0.07 -2.27 0.00 0.00 0.00 173.10 169.38 1j3w s LEU 94 N -2.88 1.49 -0.10 0.66 2.96 0.59 -1.33 118.68 120.07 1j3w s LEU 94 Ca 0.14 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1j3w s LEU 94 Cb -0.01 -0.55 0.01 0.00 0.50 0.00 0.00 46.19 46.14 1j3w s LEU 94 CO 0.02 -0.01 -0.20 -0.47 -1.32 0.00 0.00 176.35 174.37 1j3w s TYR 95 N 0.71 2.27 -0.05 5.38 5.04 0.08 -0.93 117.35 129.85 1j3w s TYR 95 Ca -0.11 -0.97 0.02 0.00 -2.44 0.00 0.00 57.07 53.56 1j3w s TYR 95 Cb -0.14 -1.56 0.02 0.00 0.35 0.00 0.00 41.96 40.63 1j3w s TYR 95 CO 0.01 -0.43 -0.07 0.08 -1.34 0.00 0.00 175.55 173.80 1j3w s VAL 96 N 0.56 0.73 0.02 3.14 1.01 -0.27 -0.69 120.40 124.89 1j3w s VAL 96 Ca -0.15 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1j3w s VAL 96 Cb -0.17 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1j3w s VAL 96 CO 0.05 0.26 -0.04 -0.62 0.00 0.00 0.00 175.10 174.76 1j3w s ASP 97 N 0.79 0.35 0.22 3.32 2.15 -0.58 -0.84 116.67 122.07 1j3w s ASP 97 Ca -0.12 -0.37 -0.30 0.00 0.43 0.00 0.00 52.55 52.18 1j3w s ASP 97 Cb -0.15 0.05 -0.09 0.00 -0.30 0.00 0.00 42.92 42.43 1j3w s ASP 97 CO 0.01 -0.19 1.40 -1.61 -0.17 0.00 0.00 175.17 174.61 1j3w s GLU 98 N -1.07 4.31 -0.75 4.34 2.02 -0.46 -0.43 118.70 126.68 1j3w s GLU 98 Ca -0.10 2.20 0.04 0.00 0.02 0.00 0.00 54.97 57.13 1j3w s GLU 98 Cb -0.07 -3.15 0.25 0.00 0.10 0.00 0.00 34.13 31.26 1j3w s GLU 98 CO -0.00 -0.37 0.88 0.00 0.02 0.00 0.00 175.26 175.79 1j3w n ALA 99 N 2.62 4.24 0.00 5.21 0.00 -0.06 -4.70 120.51 127.83 1j3w n ALA 99 Ca 0.07 -4.76 0.00 0.00 0.00 0.00 0.00 53.44 48.75 1j3w n ALA 99 Cb 0.41 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1j3w n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3w n GLY 100 N 1.08 -3.37 0.12 0.00 0.00 -1.26 -3.56 105.19 98.20 1j3w n GLY 100 Ca 0.28 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.57 1j3w n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j3w n GLU 101 N -0.42 0.23 0.00 1.61 -0.58 -1.26 -3.88 120.64 116.34 1j3w n GLU 101 Ca 0.00 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1j3w n GLU 101 Cb 0.00 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 1j3w n GLU 101 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1j3w n HIS 102 N -2.25 0.00 -4.11 -0.32 8.25 -1.26 -5.00 115.22 110.53 1j3w n HIS 102 Ca 0.04 -0.44 -0.10 0.00 -0.26 0.00 0.00 57.72 56.96 1j3w n HIS 102 Cb 0.32 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.30 1j3w n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3w s ALA 103 N -0.87 0.65 -0.01 -1.41 0.00 -1.23 -3.09 121.76 115.79 1j3w s ALA 103 Ca 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.63 1j3w s ALA 103 Cb 0.00 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.18 1j3w s ALA 103 CO 0.00 -0.60 -0.05 -0.51 0.00 0.00 0.00 175.76 174.61 1j3w s LEU 104 N -3.06 1.89 -0.15 0.00 1.43 0.10 -0.88 118.68 118.01 1j3w s LEU 104 Ca 0.27 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 1j3w s LEU 104 Cb 0.05 -0.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.95 1j3w s LEU 104 CO 0.05 0.04 0.27 -0.22 0.23 0.00 0.00 176.35 176.73 1j3w s LEU 105 N 0.06 4.27 -0.10 1.79 2.96 0.43 -1.25 118.68 126.84 1j3w s LEU 105 Ca -0.00 0.51 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1j3w s LEU 105 Cb -0.04 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.32 1j3w s LEU 105 CO -0.00 0.15 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.28 1j3w s VAL 106 N 0.24 1.77 -0.09 1.68 1.01 0.26 -1.53 120.40 123.74 1j3w s VAL 106 Ca 0.16 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1j3w s VAL 106 Cb -0.13 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1j3w s VAL 106 CO 0.04 0.50 -0.17 -0.76 0.00 0.00 0.00 175.10 174.71 1j3w s LEU 107 N 0.56 1.81 -0.16 3.92 1.43 0.13 -0.71 118.68 125.66 1j3w s LEU 107 Ca -0.15 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 1j3w s LEU 107 Cb -0.17 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 1j3w s LEU 107 CO 0.05 0.07 -0.05 -0.69 0.23 0.00 0.00 176.35 175.96 1j3w s VAL 108 N 0.65 3.72 0.08 -1.59 1.01 -0.20 -0.74 120.40 123.33 1j3w s VAL 108 Ca -0.14 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1j3w s VAL 108 Cb -0.16 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1j3w s VAL 108 CO 0.04 0.48 0.03 0.72 0.00 0.00 0.00 175.10 176.37 1j3w s PHE 109 N 0.57 0.58 0.00 5.22 -0.12 -0.44 -0.62 117.98 123.17 1j3w s PHE 109 Ca -0.03 -1.06 0.00 0.00 -0.05 0.00 0.00 56.93 55.78 1j3w s PHE 109 Cb -0.15 -0.38 0.00 0.00 -0.63 0.00 0.00 43.02 41.87 1j3w s PHE 109 CO 0.03 -0.45 0.00 -0.40 -0.05 0.00 0.00 175.22 174.35 1j3w n ASP 110 N 0.02 1.65 0.26 1.98 3.85 -1.26 -0.20 116.55 122.86 1j3w n ASP 110 Ca -0.11 -0.83 0.18 0.00 -0.71 0.00 0.00 54.79 53.32 1j3w n ASP 110 Cb 0.62 0.00 0.94 0.00 -1.35 0.00 0.00 41.12 41.33 1j3w n ASP 110 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1j3w h GLU 111 N 0.00 0.00 -0.00 0.11 4.11 -1.95 -2.32 114.58 114.53 1j3w h GLU 111 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1j3w h GLU 111 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1j3w h GLU 111 CO 0.00 0.00 -0.03 0.25 0.07 0.00 0.00 179.01 179.30 1j3w n THR 112 N -2.72 0.00 -3.67 -1.06 -2.24 -1.26 -4.62 114.28 98.71 1j3w n THR 112 Ca -0.02 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 1j3w n THR 112 Cb 0.06 -0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 67.90 1j3w n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3w s ALA 113 N -2.26 3.18 0.14 6.98 0.00 -0.87 -4.83 121.76 124.09 1j3w s ALA 113 Ca 0.37 -1.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.20 1j3w s ALA 113 Cb 0.21 -2.46 -0.11 0.00 0.00 0.00 0.00 23.12 20.76 1j3w s ALA 113 CO 0.42 -1.42 1.82 -2.14 0.00 0.00 0.00 175.76 174.43 1j3w s PRO 114 N 1.46 4.13 0.30 0.00 0.02 -1.25 -4.86 135.00 134.80 1j3w s PRO 114 Ca 0.01 2.61 0.03 0.00 0.02 0.00 0.00 61.00 63.67 1j3w s PRO 114 Cb -0.20 -3.49 0.62 0.00 0.02 0.00 0.00 34.50 31.45 1j3w s PRO 114 CO 0.04 -0.83 1.83 1.25 -0.33 0.00 0.00 177.00 178.96 1j3w h LEU 115 N 8.27 0.87 -1.15 -5.54 5.85 -1.94 -0.42 115.31 121.26 1j3w h LEU 115 Ca -0.46 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.36 1j3w h LEU 115 Cb 1.21 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1j3w h LEU 115 CO 0.95 0.44 0.58 1.23 -0.34 0.00 0.00 178.44 181.30 1j3w h GLY 116 N 0.92 1.27 1.31 3.75 0.00 -1.99 -0.76 103.07 107.57 1j3w h GLY 116 Ca 0.50 -0.43 -0.21 0.00 0.00 0.00 0.00 47.33 47.19 1j3w h GLY 116 CO -0.28 0.37 -0.77 0.50 0.00 0.00 0.00 176.54 176.36 1j3w h LYS 117 N 1.10 0.67 -0.49 4.80 1.79 -1.47 -1.23 116.57 121.74 1j3w h LYS 117 Ca 0.35 -0.56 0.04 0.00 -2.18 0.00 0.00 60.65 58.30 1j3w h LYS 117 Cb 0.04 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 1j3w h LYS 117 CO -0.11 1.17 0.26 0.28 -1.08 0.00 0.00 179.45 179.97 1j3w h VAL 118 N 0.46 0.98 -0.17 0.50 2.07 -0.53 -1.40 116.25 118.16 1j3w h VAL 118 Ca -0.05 -0.17 -0.18 0.00 0.82 0.00 0.00 66.70 67.12 1j3w h VAL 118 Cb 1.39 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1j3w h VAL 118 CO 0.15 0.09 -0.60 0.11 0.02 0.00 0.00 177.57 177.35 1j3w h LYS 119 N 0.51 0.71 0.84 1.57 1.57 -1.13 0.45 116.57 121.08 1j3w h LYS 119 Ca 0.21 -0.53 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1j3w h LYS 119 Cb 0.10 0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1j3w h LYS 119 CO -0.14 1.15 -0.40 1.25 -0.57 0.00 0.00 179.45 180.74 1j3w h LEU 120 N 0.41 -0.96 -0.61 2.94 5.85 -1.06 -0.85 115.31 121.03 1j3w h LEU 120 Ca -0.03 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1j3w h LEU 120 Cb 1.22 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1j3w h LEU 120 CO 0.13 -0.65 -0.44 0.45 -0.34 0.00 0.00 178.44 177.58 1j3w h HIS 121 N -1.19 0.00 -0.38 1.25 3.86 -1.38 -2.80 115.15 114.52 1j3w h HIS 121 Ca -0.12 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.01 1j3w h HIS 121 Cb 0.87 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 1j3w h HIS 121 CO -0.01 0.44 -0.08 0.78 0.86 0.00 0.00 177.93 179.92 1j3w h GLY 122 N 2.54 0.78 0.98 2.45 0.00 -0.87 0.25 103.07 109.20 1j3w h GLY 122 Ca -0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1j3w h GLY 122 CO 0.06 0.58 0.25 1.70 0.00 0.00 0.00 176.54 179.13 1j3w h LYS 123 N 0.53 0.72 -0.64 4.80 1.63 -1.06 -0.29 116.57 122.25 1j3w h LYS 123 Ca 0.10 -0.10 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1j3w h LYS 123 Cb 0.59 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 1j3w h LYS 123 CO 0.04 0.59 0.09 0.00 -3.45 0.00 0.00 179.45 176.71 1j3w h ARG 124 N 0.67 1.06 -0.56 1.90 3.08 -1.36 -2.57 114.38 116.60 1j3w h ARG 124 Ca 0.17 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1j3w h ARG 124 Cb 0.10 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1j3w h ARG 124 CO -0.02 0.98 0.00 0.00 -1.07 0.00 0.00 179.97 179.86 1j3w h ALA 125 N 1.09 0.95 -0.62 0.04 0.00 -0.61 -2.13 119.26 117.98 1j3w h ALA 125 Ca 0.19 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1j3w h ALA 125 Cb 0.45 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1j3w h ALA 125 CO 0.01 0.63 0.26 0.66 0.00 0.00 0.00 179.25 180.82 1j3w h SER 126 N 0.88 0.81 -0.41 0.00 4.64 -0.77 0.96 113.55 119.66 1j3w h SER 126 Ca 0.16 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 1j3w h SER 126 Cb 0.51 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1j3w h SER 126 CO 0.03 0.72 -0.18 -0.33 -0.87 0.00 0.00 176.83 176.20 1j3w h GLU 127 N 0.88 0.85 -0.67 4.77 4.39 -1.17 -0.21 114.58 123.42 1j3w h GLU 127 Ca 0.21 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 1j3w h GLU 127 Cb 0.15 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1j3w h GLU 127 CO -0.02 1.00 0.26 0.00 -1.16 0.00 0.00 179.01 179.08 1j3w h ALA 128 N 0.83 0.87 -0.12 3.43 0.00 -0.82 -2.32 119.26 121.13 1j3w h ALA 128 Ca 0.09 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1j3w h ALA 128 Cb 0.73 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1j3w h ALA 128 CO 0.06 0.50 -0.43 -0.07 0.00 0.00 0.00 179.25 179.31 1j3w h LEU 129 N 0.96 0.31 -0.75 0.00 3.38 -0.68 -2.38 115.31 116.15 1j3w h LEU 129 Ca 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1j3w h LEU 129 Cb 0.23 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1j3w h LEU 129 CO -0.02 0.71 0.41 0.00 0.09 0.00 0.00 178.44 179.63 1j3w h ALA 130 N 1.31 0.96 -0.55 1.53 0.00 -0.60 0.16 119.26 122.06 1j3w h ALA 130 Ca 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1j3w h ALA 130 Cb 0.87 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1j3w h ALA 130 CO 0.07 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.81 1j3w h ARG 131 N 1.03 0.96 -0.60 0.00 3.08 -1.18 -0.38 114.38 117.29 1j3w h ARG 131 Ca 0.26 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1j3w h ARG 131 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1j3w h ARG 131 CO -0.04 0.95 0.17 0.82 -1.07 0.00 0.00 179.97 180.80 1j3w h ILE 132 N 0.84 1.25 -0.49 2.04 2.04 -1.02 -1.95 117.51 120.22 1j3w h ILE 132 Ca 0.16 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1j3w h ILE 132 Cb 0.50 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1j3w h ILE 132 CO 0.02 0.33 0.10 0.00 0.00 0.00 0.00 178.15 178.59 1j3w h ALA 133 N 1.05 0.65 0.01 1.87 0.00 -0.77 -1.45 119.26 120.61 1j3w h ALA 133 Ca 0.19 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j3w h ALA 133 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1j3w h ALA 133 CO -0.00 0.37 -0.05 0.93 0.00 0.00 0.00 179.25 180.49 1j3w h GLU 134 N 0.68 -0.09 -0.39 0.00 5.08 -0.85 -1.46 114.58 117.55 1j3w h GLU 134 Ca 0.15 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 1j3w h GLU 134 Cb 0.37 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1j3w h GLU 134 CO 0.01 -0.06 -0.19 1.49 -1.00 0.00 0.00 179.01 179.26 1j3w h GLU 135 N -0.09 0.75 -0.55 2.33 4.81 -1.30 -0.70 114.58 119.82 1j3w h GLU 135 Ca 0.02 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1j3w h GLU 135 Cb 0.12 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1j3w h GLU 135 CO -0.05 0.88 0.26 0.00 -0.73 0.00 0.00 179.01 179.37 1j3w h ALA 136 N 1.13 1.42 -0.01 2.92 0.00 -1.06 -2.92 119.26 120.75 1j3w h ALA 136 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1j3w h ALA 136 Cb 0.68 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1j3w h ALA 136 CO 0.05 0.46 -0.02 1.25 0.00 0.00 0.00 179.25 180.98 1j3w h LEU 137 N 0.78 0.04 -8.25 0.00 5.85 -0.84 -3.40 115.31 109.48 1j3w h LEU 137 Ca 0.19 -0.60 -0.70 0.00 0.84 0.00 0.00 57.88 57.61 1j3w h LEU 137 Cb 0.09 -0.01 -0.20 0.00 0.37 0.00 0.00 40.66 40.91 1j3w h LEU 137 CO -0.03 0.63 0.02 0.00 -0.34 0.00 0.00 178.44 178.72 1j3w s ALA 138 N -3.83 3.44 0.00 1.25 0.00 -0.31 -5.11 121.76 117.20 1j3w s ALA 138 Ca -0.16 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 49.73 1j3w s ALA 138 Cb 0.01 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1j3w s ALA 138 CO 0.69 -2.14 0.00 -1.71 0.00 0.00 0.00 175.76 172.60