#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjh s LYS 17 N 0.00 1.00 -0.13 3.52 -2.85 -1.20 -5.03 119.74 115.06 3mjh s LYS 17 Ca 0.00 -0.45 0.03 0.00 -1.00 0.00 0.00 55.97 54.55 3mjh s LYS 17 Cb 0.00 0.41 0.01 0.00 -2.06 0.00 0.00 37.83 36.19 3mjh s LYS 17 CO 0.00 -0.45 -0.22 0.42 0.10 0.00 0.00 175.35 175.21 3mjh s ILE 18 N -3.25 2.12 -0.12 3.79 1.01 -1.26 -0.51 121.20 122.99 3mjh s ILE 18 Ca 0.07 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.77 3mjh s ILE 18 Cb -0.01 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3mjh s ILE 18 CO -0.05 0.55 -0.18 0.00 0.00 0.00 0.00 174.94 175.25 3mjh s GLN 20 N 0.43 3.05 -0.04 0.00 -0.21 -1.26 0.03 119.66 121.66 3mjh s GLN 20 Ca -0.13 -0.37 -0.02 0.00 0.02 0.00 0.00 55.36 54.85 3mjh s GLN 20 Cb -0.17 -2.85 0.02 0.00 1.00 0.00 0.00 33.01 31.01 3mjh s GLN 20 CO 0.06 0.71 0.09 -0.06 -2.12 0.00 0.00 175.29 173.97 3mjh s PHE 21 N -0.92 -0.09 -0.03 0.91 0.08 -0.17 -4.95 117.98 112.80 3mjh s PHE 21 Ca 0.14 0.27 -0.30 0.00 0.12 0.00 0.00 56.93 57.16 3mjh s PHE 21 Cb -0.11 -0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.27 3mjh s PHE 21 CO 0.03 -0.08 1.01 0.21 -0.10 0.00 0.00 175.22 176.29 3mjh s LYS 22 N 0.47 4.50 -0.04 0.44 2.20 -1.26 -0.69 119.74 125.35 3mjh s LYS 22 Ca -0.04 1.44 0.05 0.00 -0.36 0.00 0.00 55.97 57.07 3mjh s LYS 22 Cb -0.05 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 3mjh s LYS 22 CO -0.02 -0.17 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.43 3mjh s LEU 23 N 1.40 1.99 -0.03 5.43 0.20 0.42 -1.02 118.68 127.06 3mjh s LEU 23 Ca 0.51 -0.40 0.07 0.00 0.69 0.00 0.00 54.13 55.00 3mjh s LEU 23 Cb -0.21 -1.11 -0.02 0.00 -0.43 0.00 0.00 46.19 44.42 3mjh s LEU 23 CO 0.24 0.21 -0.25 0.54 -0.29 0.00 0.00 176.35 176.80 3mjh s VAL 24 N -0.16 2.09 -0.20 1.68 0.11 -0.57 -0.50 120.40 122.83 3mjh s VAL 24 Ca -0.00 -1.08 -0.08 0.00 -2.93 0.00 0.00 61.98 57.89 3mjh s VAL 24 Cb -0.11 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 3mjh s VAL 24 CO 0.02 0.58 0.08 -0.76 -3.33 0.00 0.00 175.10 171.68 3mjh s LEU 25 N -0.46 3.77 0.05 2.54 1.43 -0.50 -0.71 118.68 124.80 3mjh s LEU 25 Ca 0.05 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 3mjh s LEU 25 Cb -0.11 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 3mjh s LEU 25 CO 0.01 0.12 -0.11 -0.76 0.23 0.00 0.00 176.35 175.84 3mjh s LEU 26 N 0.72 2.22 0.00 1.79 1.43 -0.26 -3.04 118.68 121.55 3mjh s LEU 26 Ca 0.04 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3mjh s LEU 26 Cb -0.13 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 45.72 3mjh s LEU 26 CO 0.02 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.11 3mjh n GLY 27 N 1.63 2.41 3.75 -3.19 0.00 -1.26 -0.48 105.19 108.05 3mjh n GLY 27 Ca -0.20 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 3mjh n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mjh s GLU 28 N -2.02 3.01 0.37 1.61 2.12 -1.26 -4.17 118.70 118.36 3mjh s GLU 28 Ca 0.00 2.16 -0.26 0.00 0.36 0.00 0.00 54.97 57.23 3mjh s GLU 28 Cb 0.00 -2.15 -0.12 0.00 0.26 0.00 0.00 34.13 32.13 3mjh s GLU 28 CO 0.00 -1.27 1.11 0.45 -0.54 0.00 0.00 175.26 175.01 3mjh n SER 29 N -1.25 1.81 0.00 -1.70 2.88 -1.26 -2.78 113.62 111.33 3mjh n SER 29 Ca 0.12 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 3mjh n SER 29 Cb 0.46 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 3mjh n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mjh n ALA 30 N -0.08 0.00 0.23 -1.46 0.00 -1.26 -4.89 120.51 113.05 3mjh n ALA 30 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.62 3mjh n ALA 30 Cb 0.37 -0.23 0.49 0.00 0.00 0.00 0.00 19.45 20.07 3mjh n ALA 30 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3mjh h VAL 31 N 0.00 0.52 0.00 0.00 -1.51 -1.89 -3.47 116.25 109.90 3mjh h VAL 31 Ca 0.00 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 3mjh h VAL 31 Cb 0.09 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3mjh h VAL 31 CO 0.00 0.20 0.00 0.61 -1.23 0.00 0.00 177.57 177.15 3mjh n GLY 32 N 0.10 1.93 0.09 5.19 0.00 -1.26 -4.58 105.19 106.66 3mjh n GLY 32 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3mjh n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mjh h LYS 33 N 0.00 0.18 -0.13 1.61 1.57 -1.91 0.34 116.57 118.23 3mjh h LYS 33 Ca 0.00 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3mjh h LYS 33 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3mjh h LYS 33 CO 0.00 0.31 -0.35 0.77 -0.57 0.00 0.00 179.45 179.61 3mjh h SER 34 N 0.01 0.28 -0.22 0.86 0.02 -1.96 -2.22 113.55 110.32 3mjh h SER 34 Ca 0.04 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 3mjh h SER 34 Cb 0.21 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3mjh h SER 34 CO -0.00 0.62 -0.11 0.28 -1.14 0.00 0.00 176.83 176.48 3mjh h SER 35 N 0.24 0.49 -0.26 3.07 0.02 -1.91 -1.01 113.55 114.18 3mjh h SER 35 Ca 0.03 -0.41 0.05 0.00 -0.84 0.00 0.00 61.79 60.61 3mjh h SER 35 Cb 0.74 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 3mjh h SER 35 CO 0.06 0.79 -0.05 0.25 -1.14 0.00 0.00 176.83 176.74 3mjh h LEU 36 N 0.18 -0.20 -0.45 5.07 6.46 -0.82 -0.44 115.31 125.11 3mjh h LEU 36 Ca 0.05 0.07 -0.18 0.00 -0.12 0.00 0.00 57.88 57.71 3mjh h LEU 36 Cb 0.61 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.68 3mjh h LEU 36 CO 0.03 -0.07 -0.65 1.62 -0.62 0.00 0.00 178.44 178.76 3mjh h VAL 37 N 0.02 1.35 -0.84 1.05 3.04 -1.41 -2.01 116.25 117.45 3mjh h VAL 37 Ca 0.12 -1.97 -0.01 0.00 -1.01 0.00 0.00 66.70 63.83 3mjh h VAL 37 Cb 0.18 1.95 -0.04 0.00 -2.01 0.00 0.00 31.29 31.37 3mjh h VAL 37 CO -0.25 0.60 0.47 0.25 -1.01 0.00 0.00 177.57 177.64 3mjh h LEU 38 N 0.35 1.03 -0.30 3.16 5.85 -0.94 0.19 115.31 124.66 3mjh h LEU 38 Ca -0.02 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3mjh h LEU 38 Cb 1.21 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3mjh h LEU 38 CO 0.12 0.82 0.14 -0.09 -0.34 0.00 0.00 178.44 179.08 3mjh h ARG 39 N 1.17 0.44 -0.35 1.25 9.65 -0.57 0.17 114.38 126.14 3mjh h ARG 39 Ca 0.30 -0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 59.02 3mjh h ARG 39 Cb 0.00 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 3mjh h ARG 39 CO -0.05 0.43 -0.13 0.35 2.80 0.00 0.00 179.97 183.36 3mjh h PHE 40 N 0.35 0.81 0.14 2.20 3.57 -0.95 0.48 116.94 123.53 3mjh h PHE 40 Ca 0.10 -0.19 -0.20 0.00 3.53 0.00 0.00 57.97 61.21 3mjh h PHE 40 Cb 0.14 -0.19 0.02 0.00 2.79 0.00 0.00 35.95 38.71 3mjh h PHE 40 CO -0.01 0.89 -0.92 0.28 -2.23 0.00 0.00 178.31 176.32 3mjh h VAL 41 N 0.49 1.45 0.00 1.41 2.07 -0.58 -3.40 116.25 117.69 3mjh h VAL 41 Ca 0.08 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.07 3mjh h VAL 41 Cb 0.66 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 3mjh h VAL 41 CO 0.04 0.72 -0.49 0.29 0.02 0.00 0.00 177.57 178.15 3mjh n LYS 42 N -4.08 3.90 -2.49 1.57 4.76 0.58 -4.99 118.16 117.41 3mjh n LYS 42 Ca -0.15 -0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.12 3mjh n LYS 42 Cb 0.85 -0.91 0.01 0.00 -1.84 0.00 0.00 35.03 33.13 3mjh n LYS 42 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mjh n GLY 43 N 1.29 -0.24 3.42 0.72 0.00 0.16 -4.99 105.19 105.55 3mjh n GLY 43 Ca 0.01 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 3mjh n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mjh s GLN 44 N -5.00 1.52 -0.23 1.61 -0.21 -1.18 -4.96 119.66 111.20 3mjh s GLN 44 Ca 0.09 -1.75 -0.14 0.00 0.02 0.00 0.00 55.36 53.57 3mjh s GLN 44 Cb -0.04 -1.21 0.07 0.00 1.00 0.00 0.00 33.01 32.83 3mjh s GLN 44 CO 0.11 0.09 0.58 0.12 -2.12 0.00 0.00 175.29 174.07 3mjh s PHE 45 N -2.96 -0.86 -0.20 0.91 5.36 -1.26 -2.17 117.98 116.81 3mjh s PHE 45 Ca 0.28 1.78 -0.02 0.00 -0.96 0.00 0.00 56.93 58.01 3mjh s PHE 45 Cb 0.02 0.46 -0.00 0.00 -0.34 0.00 0.00 43.02 43.16 3mjh s PHE 45 CO 0.11 -0.44 -0.09 -1.01 -1.46 0.00 0.00 175.22 172.33 3mjh s HIS 46 N 1.38 2.90 0.52 10.12 3.76 -1.26 -4.98 115.29 127.73 3mjh s HIS 46 Ca -0.09 -1.04 0.20 0.00 -0.15 0.00 0.00 55.06 53.98 3mjh s HIS 46 Cb -0.06 -2.02 1.33 0.00 1.11 0.00 0.00 32.58 32.93 3mjh s HIS 46 CO -0.15 -0.55 2.08 0.93 -0.85 0.00 0.00 174.74 176.20 3mjh h GLU 47 N 7.85 0.00 -0.53 1.40 4.39 -2.02 -2.72 114.58 122.95 3mjh h GLU 47 Ca -0.40 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.06 3mjh h GLU 47 Cb 1.16 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.67 3mjh h GLU 47 CO 0.60 0.00 0.14 1.19 -1.16 0.00 0.00 179.01 179.79 3mjh n PHE 48 N -4.47 1.68 -1.57 4.33 3.72 -1.26 -5.02 117.46 114.88 3mjh n PHE 48 Ca 0.03 -1.52 -0.49 0.00 -0.05 0.00 0.00 57.45 55.41 3mjh n PHE 48 Cb 0.32 -0.60 -0.04 0.00 -0.94 0.00 0.00 39.48 38.22 3mjh n PHE 48 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3mjh n GLN 49 N -0.94 1.06 -2.85 -1.08 -0.06 -1.03 -4.92 117.38 107.56 3mjh n GLN 49 Ca 0.39 0.38 -0.40 0.00 -2.00 0.00 0.00 57.00 55.37 3mjh n GLN 49 Cb 1.21 -1.86 -0.06 0.00 -4.06 0.00 0.00 30.24 25.47 3mjh n GLN 49 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 3mjh s GLU 50 N -0.36 4.72 0.22 3.69 2.02 -1.26 -5.01 118.70 122.72 3mjh s GLU 50 Ca 0.74 1.34 -0.32 0.00 0.02 0.00 0.00 54.97 56.75 3mjh s GLU 50 Cb -0.88 -3.25 -0.14 0.00 0.10 0.00 0.00 34.13 29.97 3mjh s GLU 50 CO 0.52 0.53 1.38 0.45 0.02 0.00 0.00 175.26 178.17 3mjh n SER 51 N 1.48 2.55 -4.75 -0.19 2.88 -1.26 -4.93 113.62 109.41 3mjh n SER 51 Ca -0.03 1.14 -0.41 0.00 -1.33 0.00 0.00 58.87 58.23 3mjh n SER 51 Cb 0.48 -1.39 -0.04 0.00 -0.75 0.00 0.00 64.21 62.51 3mjh n SER 51 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3mjh s THR 52 N 0.02 3.53 -0.31 2.46 2.01 -1.26 -5.03 115.64 117.05 3mjh s THR 52 Ca 0.70 1.37 -0.08 0.00 0.31 0.00 0.00 61.69 63.99 3mjh s THR 52 Cb -0.69 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 67.96 3mjh s THR 52 CO 0.49 0.26 0.11 -0.63 -0.69 0.00 0.00 174.62 174.16 3mjh s ILE 53 N -0.46 4.17 0.00 1.82 1.01 -1.26 -4.62 121.20 121.86 3mjh s ILE 53 Ca 0.50 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3mjh s ILE 53 Cb -0.32 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3mjh s ILE 53 CO 0.39 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3mjh n GLY 54 N 4.90 1.97 3.59 6.18 0.00 -1.26 -4.81 105.19 115.75 3mjh n GLY 54 Ca -0.14 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 3mjh n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mjh s ALA 55 N -1.00 -1.86 -0.04 4.61 0.00 -1.26 -0.67 121.76 121.54 3mjh s ALA 55 Ca 0.00 1.68 0.03 0.00 0.00 0.00 0.00 51.96 53.66 3mjh s ALA 55 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3mjh s ALA 55 CO 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 175.76 175.35 3mjh s ALA 56 N -0.49 2.87 -0.17 0.00 0.00 -0.07 -4.94 121.76 118.95 3mjh s ALA 56 Ca -0.03 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 3mjh s ALA 56 Cb -0.02 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 3mjh s ALA 56 CO 0.02 0.58 0.14 0.12 0.00 0.00 0.00 175.76 176.62 3mjh s PHE 57 N -0.83 3.48 0.10 0.00 5.36 -1.26 -0.47 117.98 124.36 3mjh s PHE 57 Ca 0.13 0.41 -0.06 0.00 -0.96 0.00 0.00 56.93 56.45 3mjh s PHE 57 Cb -0.11 -2.10 -0.02 0.00 -0.34 0.00 0.00 43.02 40.46 3mjh s PHE 57 CO 0.03 0.44 0.14 -0.51 -1.46 0.00 0.00 175.22 173.85 3mjh s LEU 58 N -0.10 1.64 -0.01 6.12 1.02 -0.57 -5.01 118.68 121.77 3mjh s LEU 58 Ca 0.11 -0.83 -0.06 0.00 0.02 0.00 0.00 54.13 53.36 3mjh s LEU 58 Cb -0.11 0.78 0.00 0.00 0.02 0.00 0.00 46.19 46.88 3mjh s LEU 58 CO 0.00 -0.73 0.12 0.28 0.02 0.00 0.00 176.35 176.05 3mjh s THR 59 N -3.91 0.06 0.15 5.49 -1.32 -1.26 0.03 115.64 114.88 3mjh s THR 59 Ca 0.10 -0.52 -0.23 0.00 -1.21 0.00 0.00 61.69 59.82 3mjh s THR 59 Cb 0.06 -0.36 0.07 0.00 -1.51 0.00 0.00 72.50 70.76 3mjh s THR 59 CO -0.08 -0.29 0.59 -1.58 -2.21 0.00 0.00 174.62 171.06 3mjh s GLN 60 N -0.99 1.26 0.27 7.08 2.00 -1.11 -4.93 119.66 123.24 3mjh s GLN 60 Ca -0.11 -0.46 0.11 0.00 -2.00 0.00 0.00 55.36 52.90 3mjh s GLN 60 Cb -0.06 0.58 -0.05 0.00 0.80 0.00 0.00 33.01 34.28 3mjh s GLN 60 CO 0.01 -0.54 -0.13 0.95 -0.50 0.00 0.00 175.29 175.08 3mjh s THR 61 N -3.67 2.86 0.15 -0.34 -4.23 -1.26 -0.99 115.64 108.15 3mjh s THR 61 Ca 0.01 -2.20 0.03 0.00 -1.18 0.00 0.00 61.69 58.35 3mjh s THR 61 Cb -0.01 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 3mjh s THR 61 CO -0.12 -0.38 -0.07 0.68 -0.54 0.00 0.00 174.62 174.19 3mjh s VAL 62 N -2.41 0.96 -0.05 2.29 -7.23 -0.32 -4.98 120.40 108.66 3mjh s VAL 62 Ca 0.30 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.50 3mjh s VAL 62 Cb -0.06 -1.90 -0.00 0.00 0.56 0.00 0.00 36.38 34.98 3mjh s VAL 62 CO 0.17 -0.69 -0.18 0.00 -0.31 0.00 0.00 175.10 174.09 3mjh s LEU 64 N 0.05 0.24 -1.59 0.00 2.34 -0.75 -4.96 118.68 114.01 3mjh s LEU 64 Ca -0.05 0.60 -0.11 0.00 0.06 0.00 0.00 54.13 54.63 3mjh s LEU 64 Cb -0.12 1.69 0.09 0.00 -0.56 0.00 0.00 46.19 47.29 3mjh s LEU 64 CO 0.03 -0.36 0.60 0.47 -1.06 0.00 0.00 176.35 176.02 3mjh n ASP 65 N 1.87 -1.92 0.00 1.48 8.00 -1.26 0.06 116.55 124.79 3mjh n ASP 65 Ca -0.17 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.29 3mjh n ASP 65 Cb 0.56 -2.75 0.00 0.00 -0.02 0.00 0.00 41.12 38.91 3mjh n ASP 65 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mjh n ASP 66 N -2.79 0.00 -4.55 -2.24 10.43 -1.26 -4.98 116.55 111.16 3mjh n ASP 66 Ca -0.09 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 56.91 3mjh n ASP 66 Cb 0.57 -0.91 -0.11 0.00 1.84 0.00 0.00 41.12 42.51 3mjh n ASP 66 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3mjh s THR 67 N -2.73 4.65 -0.38 -3.53 2.01 0.11 -3.21 115.64 112.55 3mjh s THR 67 Ca 0.00 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 3mjh s THR 67 Cb 0.00 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.40 3mjh s THR 67 CO 0.00 0.39 1.08 -0.89 -0.69 0.00 0.00 174.62 174.51 3mjh s THR 68 N 1.00 4.41 -0.36 -0.82 2.01 0.34 -1.81 115.64 120.40 3mjh s THR 68 Ca 0.04 1.51 -0.12 0.00 0.31 0.00 0.00 61.69 63.44 3mjh s THR 68 Cb -0.14 -4.48 0.01 0.00 0.01 0.00 0.00 72.50 67.90 3mjh s THR 68 CO 0.03 -0.67 0.21 -0.69 -0.69 0.00 0.00 174.62 172.81 3mjh s VAL 69 N 3.92 4.80 -0.29 3.82 1.01 0.41 -1.04 120.40 133.03 3mjh s VAL 69 Ca 0.46 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 3mjh s VAL 69 Cb -0.10 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3mjh s VAL 69 CO 0.21 -0.14 0.14 -0.75 0.00 0.00 0.00 175.10 174.57 3mjh s LYS 70 N 1.61 3.52 -0.16 2.72 2.20 0.10 -1.18 119.74 128.56 3mjh s LYS 70 Ca 0.04 -0.59 -0.18 0.00 -0.36 0.00 0.00 55.97 54.88 3mjh s LYS 70 Cb -0.18 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 3mjh s LYS 70 CO 0.08 -0.32 0.48 -0.06 -0.36 0.00 0.00 175.35 175.17 3mjh s PHE 71 N 1.64 3.44 -0.44 4.03 0.08 -0.16 -1.00 117.98 125.56 3mjh s PHE 71 Ca 0.06 0.81 -0.17 0.00 0.12 0.00 0.00 56.93 57.75 3mjh s PHE 71 Cb -0.16 -2.60 0.04 0.00 -0.57 0.00 0.00 43.02 39.72 3mjh s PHE 71 CO 0.07 0.03 0.42 -1.21 -0.10 0.00 0.00 175.22 174.42 3mjh s GLU 72 N 1.14 3.04 -0.18 0.44 2.02 0.13 -2.76 118.70 122.54 3mjh s GLU 72 Ca 0.24 -0.97 -0.05 0.00 0.02 0.00 0.00 54.97 54.21 3mjh s GLU 72 Cb -0.15 -4.02 -0.03 0.00 0.10 0.00 0.00 34.13 30.02 3mjh s GLU 72 CO 0.10 -0.91 0.01 0.42 0.02 0.00 0.00 175.26 174.90 3mjh s ILE 73 N 1.97 4.25 -0.36 -1.63 1.01 0.11 -0.44 121.20 126.11 3mjh s ILE 73 Ca 0.09 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.43 3mjh s ILE 73 Cb -0.19 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.42 3mjh s ILE 73 CO 0.11 0.46 0.17 0.26 0.00 0.00 0.00 174.94 175.94 3mjh s TRP 74 N 0.51 3.26 -0.60 3.97 0.52 0.35 -1.51 118.94 125.45 3mjh s TRP 74 Ca -0.00 -1.27 -0.21 0.00 0.02 0.00 0.00 56.10 54.64 3mjh s TRP 74 Cb -0.14 -2.44 0.08 0.00 -1.15 0.00 0.00 33.47 29.82 3mjh s TRP 74 CO 0.02 -0.72 0.81 0.34 0.02 0.00 0.00 176.95 177.43 3mjh s ASP 75 N 1.56 6.20 0.39 2.95 2.15 0.38 -1.42 116.67 128.89 3mjh s ASP 75 Ca 0.00 -1.05 -0.16 0.00 0.43 0.00 0.00 52.55 51.78 3mjh s ASP 75 Cb -0.20 -2.36 -0.09 0.00 -0.30 0.00 0.00 42.92 39.97 3mjh s ASP 75 CO 0.04 -1.21 0.82 0.42 -0.17 0.00 0.00 175.17 175.07 3mjh s THR 76 N 3.34 4.62 0.08 1.71 -4.23 -1.17 -0.89 115.64 119.09 3mjh s THR 76 Ca 0.18 1.04 -0.31 0.00 -1.18 0.00 0.00 61.69 61.42 3mjh s THR 76 Cb -0.19 -3.64 -0.07 0.00 1.34 0.00 0.00 72.50 69.93 3mjh s THR 76 CO 0.10 -0.34 1.42 0.00 -0.54 0.00 0.00 174.62 175.26 3mjh s ALA 77 N -2.18 3.60 -0.46 3.99 0.00 0.16 -4.91 121.76 121.96 3mjh s ALA 77 Ca 0.56 1.06 0.23 0.00 0.00 0.00 0.00 51.96 53.81 3mjh s ALA 77 Cb -0.10 -3.57 0.36 0.00 0.00 0.00 0.00 23.12 19.81 3mjh s ALA 77 CO 0.21 -0.75 1.58 0.78 0.00 0.00 0.00 175.76 177.57 3mjh h GLY 78 N 7.43 0.00 -4.55 0.00 0.00 -1.86 -3.45 103.07 100.64 3mjh h GLY 78 Ca -0.41 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.33 3mjh h GLY 78 CO 0.88 0.00 0.44 1.04 0.00 0.00 0.00 176.54 178.90 3mjh n LEU 79 N -2.96 2.71 -0.05 3.11 4.77 -1.26 -3.97 117.00 119.35 3mjh n LEU 79 Ca 0.04 1.17 0.17 0.00 -0.03 0.00 0.00 56.01 57.36 3mjh n LEU 79 Cb 0.52 -1.38 0.61 0.00 -2.33 0.00 0.00 43.42 40.84 3mjh n LEU 79 CO 0.34 -0.80 1.19 -0.08 -1.33 0.00 0.00 177.39 176.71 3mjh h GLU 80 N 3.23 0.17 0.00 3.23 4.57 -1.98 -0.45 114.58 123.35 3mjh h GLU 80 Ca -0.44 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3mjh h GLU 80 Cb 1.30 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3mjh h GLU 80 CO 0.69 0.11 0.00 0.07 -1.18 0.00 0.00 179.01 178.70 3mjh h ARG 81 N 0.17 0.00 -0.35 1.92 0.11 -1.97 -1.26 114.38 113.01 3mjh h ARG 81 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 3mjh h ARG 81 Cb 0.85 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.93 3mjh h ARG 81 CO -0.04 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.69 3mjh n TYR 82 N -2.83 0.44 -0.29 4.08 4.01 -0.18 -4.60 117.16 117.80 3mjh n TYR 82 Ca -0.02 -0.22 0.08 0.00 -0.16 0.00 0.00 57.90 57.58 3mjh n TYR 82 Cb 0.09 -0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.35 3mjh n TYR 82 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3mjh h HIS 83 N 4.51 0.66 0.00 -0.72 2.76 -1.32 -1.45 115.15 119.59 3mjh h HIS 83 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3mjh h HIS 83 Cb 0.99 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.79 3mjh h HIS 83 CO 0.22 0.09 0.00 -1.13 -1.30 0.00 0.00 177.93 175.81 3mjh n SER 84 N -4.95 0.00 0.12 3.26 3.41 -1.26 -1.87 113.62 112.33 3mjh n SER 84 Ca 0.17 0.47 0.06 0.00 -0.26 0.00 0.00 58.87 59.32 3mjh n SER 84 Cb 0.48 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3mjh n SER 84 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mjh h LEU 85 N 0.00 0.00 -0.57 1.04 3.38 -1.60 -3.39 115.31 114.17 3mjh h LEU 85 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3mjh h LEU 85 Cb 0.40 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 3mjh h LEU 85 CO 0.00 0.27 0.20 0.00 0.09 0.00 0.00 178.44 179.00 3mjh h ALA 86 N 1.73 0.72 -0.06 1.53 0.00 -1.33 -1.79 119.26 120.06 3mjh h ALA 86 Ca -0.04 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3mjh h ALA 86 Cb 1.24 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3mjh h ALA 86 CO 0.03 -0.22 0.06 -1.35 0.00 0.00 0.00 179.25 177.78 3mjh h PRO 87 N 0.37 0.00 -0.33 0.00 0.11 -1.76 0.26 132.00 130.64 3mjh h PRO 87 Ca 0.29 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 3mjh h PRO 87 Cb 0.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3mjh h PRO 87 CO -0.30 0.00 -0.25 1.98 -0.21 0.00 0.00 178.00 179.22 3mjh h MET 88 N 0.00 0.67 0.00 1.05 4.05 -1.59 -1.73 114.93 117.37 3mjh h MET 88 Ca 0.03 -0.27 -0.20 0.00 -0.28 0.00 0.00 59.70 58.98 3mjh h MET 88 Cb 0.15 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 3mjh h MET 88 CO -0.00 0.86 -1.04 1.88 0.23 0.00 0.00 176.91 178.83 3mjh h TYR 89 N 0.58 0.00 -0.02 1.39 0.05 -0.98 -3.32 116.97 114.68 3mjh h TYR 89 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3mjh h TYR 89 Cb 0.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.48 3mjh h TYR 89 CO 0.03 0.85 -0.18 2.48 -1.05 0.00 0.00 178.16 180.29 3mjh n TYR 90 N -3.23 0.00 -1.68 4.88 0.18 -0.43 -4.68 117.16 112.21 3mjh n TYR 90 Ca -0.03 0.00 -0.48 0.00 1.88 0.00 0.00 57.90 59.27 3mjh n TYR 90 Cb 0.90 -0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 39.78 3mjh n TYR 90 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 3mjh n ARG 91 N 0.15 2.23 -0.98 -3.48 0.63 -0.65 -1.83 116.66 112.73 3mjh n ARG 91 Ca 0.14 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 3mjh n ARG 91 Cb 0.43 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.68 3mjh n ARG 91 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mjh n GLY 92 N 4.28 0.26 3.73 5.14 0.00 -1.26 -4.98 105.19 112.36 3mjh n GLY 92 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3mjh n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mjh s ALA 93 N -1.56 3.46 -0.61 4.61 0.00 -0.76 -4.71 121.76 122.18 3mjh s ALA 93 Ca 0.00 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.16 3mjh s ALA 93 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 3mjh s ALA 93 CO 0.00 -0.43 0.89 1.04 0.00 0.00 0.00 175.76 177.26 3mjh n GLN 94 N 2.92 0.28 -3.91 0.00 6.02 -0.19 -4.60 117.38 117.89 3mjh n GLN 94 Ca 0.06 -0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 56.91 3mjh n GLN 94 Cb 0.44 -1.55 -0.10 0.00 1.02 0.00 0.00 30.24 30.05 3mjh n GLN 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mjh s ALA 95 N -3.20 -0.15 0.05 -1.58 0.00 -0.95 -1.12 121.76 114.80 3mjh s ALA 95 Ca 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3mjh s ALA 95 Cb 0.15 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3mjh s ALA 95 CO 0.84 -0.19 -0.06 0.00 0.00 0.00 0.00 175.76 176.34 3mjh s ALA 96 N -1.46 0.53 -0.20 0.00 0.00 -0.22 -1.52 121.76 118.89 3mjh s ALA 96 Ca -0.15 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 50.99 3mjh s ALA 96 Cb -0.08 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.16 3mjh s ALA 96 CO 0.00 -0.10 -0.17 0.42 0.00 0.00 0.00 175.76 175.92 3mjh s ILE 97 N -1.83 2.19 -0.24 0.00 1.01 0.12 -0.03 121.20 122.42 3mjh s ILE 97 Ca -0.07 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 3mjh s ILE 97 Cb -0.07 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 3mjh s ILE 97 CO -0.01 0.42 0.22 -0.69 0.00 0.00 0.00 174.94 174.87 3mjh s VAL 98 N 1.27 5.31 -0.10 2.92 1.01 0.03 -1.10 120.40 129.74 3mjh s VAL 98 Ca 0.02 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 3mjh s VAL 98 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3mjh s VAL 98 CO -0.11 0.30 -0.07 -0.69 0.00 0.00 0.00 175.10 174.54 3mjh s VAL 99 N 1.26 3.69 0.42 2.92 1.01 0.36 -1.01 120.40 129.05 3mjh s VAL 99 Ca 0.10 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3mjh s VAL 99 Cb -0.14 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3mjh s VAL 99 CO 0.06 0.57 0.06 -0.72 0.00 0.00 0.00 175.10 175.07 3mjh s TYR 100 N -0.41 1.93 -0.24 5.22 -0.85 0.11 -4.14 117.35 118.97 3mjh s TYR 100 Ca 0.06 -1.05 -0.05 0.00 -0.52 0.00 0.00 57.07 55.51 3mjh s TYR 100 Cb -0.12 -1.39 -0.00 0.00 0.38 0.00 0.00 41.96 40.83 3mjh s TYR 100 CO 0.02 0.00 -0.01 0.34 -1.52 0.00 0.00 175.55 174.39 3mjh s ASP 101 N -3.67 4.57 0.64 -0.18 -1.08 -1.26 -0.67 116.67 115.01 3mjh s ASP 101 Ca 0.22 -0.51 0.38 0.00 -0.52 0.00 0.00 52.55 52.12 3mjh s ASP 101 Cb 0.04 -1.78 2.15 0.00 -1.46 0.00 0.00 42.92 41.87 3mjh s ASP 101 CO 0.12 -0.07 2.29 0.16 0.52 0.00 0.00 175.17 178.18 3mjh h ILE 102 N 5.79 0.20 -0.05 4.11 3.07 -1.56 0.18 117.51 129.24 3mjh h ILE 102 Ca -0.38 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.03 3mjh h ILE 102 Cb 1.15 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 3mjh h ILE 102 CO 0.60 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.05 3mjh n THR 103 N -3.36 0.06 -3.66 0.16 -2.24 -1.26 -0.28 114.28 103.70 3mjh n THR 103 Ca -0.03 -0.18 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 3mjh n THR 103 Cb 0.11 0.10 -0.15 0.00 -2.10 0.00 0.00 70.33 68.29 3mjh n THR 103 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3mjh s ASN 104 N -1.80 3.85 0.34 3.42 3.84 0.62 -4.50 114.94 120.71 3mjh s ASN 104 Ca 0.37 -1.51 0.07 0.00 0.21 0.00 0.00 52.86 52.00 3mjh s ASN 104 Cb 0.19 -0.68 0.61 0.00 -0.55 0.00 0.00 41.25 40.82 3mjh s ASN 104 CO 0.30 -0.42 1.82 -0.08 -2.79 0.00 0.00 177.10 175.92 3mjh h GLU 105 N 8.21 0.29 -0.57 0.43 4.57 -1.84 -2.56 114.58 123.11 3mjh h GLU 105 Ca -0.16 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 57.84 3mjh h GLU 105 Cb 1.01 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 3mjh h GLU 105 CO 0.46 0.51 0.02 1.49 -1.18 0.00 0.00 179.01 180.31 3mjh h GLU 106 N 0.27 0.97 -0.24 1.92 4.22 -1.94 -2.02 114.58 117.75 3mjh h GLU 106 Ca 0.04 -0.28 0.04 0.00 0.08 0.00 0.00 59.36 59.25 3mjh h GLU 106 Cb 0.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3mjh h GLU 106 CO 0.04 0.94 0.17 0.66 -2.18 0.00 0.00 179.01 178.64 3mjh h SER 107 N 0.90 0.12 0.42 1.04 4.64 -1.78 -1.17 113.55 117.72 3mjh h SER 107 Ca 0.17 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.33 3mjh h SER 107 Cb 0.50 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3mjh h SER 107 CO 0.02 0.08 -0.69 0.15 -0.87 0.00 0.00 176.83 175.53 3mjh h PHE 108 N 0.14 0.32 -0.31 4.77 3.57 -1.21 -1.39 116.94 122.82 3mjh h PHE 108 Ca 0.11 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3mjh h PHE 108 Cb 0.25 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3mjh h PHE 108 CO -0.00 0.85 0.03 0.00 -2.23 0.00 0.00 178.31 176.96 3mjh h ALA 109 N 1.12 0.41 -0.46 2.41 0.00 -0.70 -2.05 119.26 119.99 3mjh h ALA 109 Ca -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3mjh h ALA 109 Cb 1.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3mjh h ALA 109 CO 0.11 0.12 0.21 -0.09 0.00 0.00 0.00 179.25 179.60 3mjh h ARG 110 N 0.33 0.64 -0.38 0.00 9.65 -1.24 -2.51 114.38 120.88 3mjh h ARG 110 Ca 0.09 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3mjh h ARG 110 Cb 0.37 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 3mjh h ARG 110 CO 0.01 0.51 0.20 0.00 2.80 0.00 0.00 179.97 183.49 3mjh h ALA 111 N 1.59 0.48 -0.98 2.80 0.00 -1.05 -1.70 119.26 120.40 3mjh h ALA 111 Ca 0.16 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3mjh h ALA 111 Cb 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3mjh h ALA 111 CO -0.02 0.02 0.65 0.87 0.00 0.00 0.00 179.25 180.77 3mjh h LYS 112 N 0.48 1.25 0.00 0.00 1.57 -1.02 -0.94 116.57 117.91 3mjh h LYS 112 Ca 0.13 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3mjh h LYS 112 Cb 0.08 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3mjh h LYS 112 CO -0.02 0.83 -0.37 -0.91 -0.57 0.00 0.00 179.45 178.41 3mjh h ASN 113 N 1.29 0.00 -0.23 0.86 2.35 -1.16 -0.49 115.58 118.20 3mjh h ASN 113 Ca 0.37 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.01 3mjh h ASN 113 Cb -0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 3mjh h ASN 113 CO -0.10 0.37 -0.29 -0.50 -1.65 0.00 0.00 177.43 175.27 3mjh h TRP 114 N 0.00 0.73 -0.88 1.19 4.06 -0.67 -1.98 115.95 118.39 3mjh h TRP 114 Ca -0.00 -0.23 0.07 0.00 2.06 0.00 0.00 58.89 60.79 3mjh h TRP 114 Cb 0.73 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 28.67 3mjh h TRP 114 CO 0.00 0.95 0.54 0.28 -3.56 0.00 0.00 178.44 176.66 3mjh h VAL 115 N 0.29 1.01 0.08 1.49 2.07 -0.83 -0.17 116.25 120.18 3mjh h VAL 115 Ca 0.03 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3mjh h VAL 115 Cb 0.86 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3mjh h VAL 115 CO 0.07 0.18 -0.04 0.50 0.02 0.00 0.00 177.57 178.30 3mjh h LYS 116 N 0.97 -0.10 -0.78 1.57 3.64 -1.05 -0.66 116.57 120.16 3mjh h LYS 116 Ca 0.40 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.89 3mjh h LYS 116 Cb 0.23 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.99 3mjh h LYS 116 CO -0.19 0.11 0.41 1.49 -2.27 0.00 0.00 179.45 178.99 3mjh h GLU 117 N -0.29 0.64 -0.52 1.90 4.81 -1.10 -0.71 114.58 119.31 3mjh h GLU 117 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3mjh h GLU 117 Cb 0.25 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3mjh h GLU 117 CO 0.02 0.42 0.27 -0.07 -0.73 0.00 0.00 179.01 178.92 3mjh h LEU 118 N 0.66 0.65 -0.87 1.64 3.38 -0.81 0.80 115.31 120.77 3mjh h LEU 118 Ca 0.40 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3mjh h LEU 118 Cb 0.45 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3mjh h LEU 118 CO -0.29 0.57 0.57 1.56 0.09 0.00 0.00 178.44 180.94 3mjh h GLN 119 N 0.69 1.12 0.05 1.13 4.20 -0.08 -1.17 115.11 121.04 3mjh h GLN 119 Ca 0.18 -0.07 -0.25 0.00 0.06 0.00 0.00 58.65 58.57 3mjh h GLN 119 Cb 0.07 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 27.61 3mjh h GLN 119 CO -0.03 0.74 -1.06 0.00 -0.67 0.00 0.00 178.83 177.81 3mjh h ARG 120 N 1.15 0.41 0.00 1.46 3.08 -0.95 -3.41 114.38 116.12 3mjh h ARG 120 Ca 0.33 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3mjh h ARG 120 Cb -0.09 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3mjh h ARG 120 CO -0.09 1.18 -0.22 1.04 -1.07 0.00 0.00 179.97 180.81 3mjh n GLN 121 N -3.70 5.43 -2.61 0.04 6.02 0.26 -5.06 117.38 117.76 3mjh n GLN 121 Ca -0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.69 3mjh n GLN 121 Cb 0.91 -0.61 0.04 0.00 1.02 0.00 0.00 30.24 31.60 3mjh n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mjh s ALA 122 N -1.22 3.85 0.25 -1.58 0.00 -0.45 -4.99 121.76 117.62 3mjh s ALA 122 Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 51.96 50.32 3mjh s ALA 122 Cb 0.00 -2.10 -0.14 0.00 0.00 0.00 0.00 23.12 20.89 3mjh s ALA 122 CO 0.00 -0.82 1.30 0.43 0.00 0.00 0.00 175.76 176.67 3mjh n SER 123 N -2.40 2.32 0.07 0.00 7.64 -1.26 -4.88 113.62 115.11 3mjh n SER 123 Ca 0.08 1.16 0.18 0.00 1.01 0.00 0.00 58.87 61.30 3mjh n SER 123 Cb 0.60 -1.38 0.69 0.00 -1.01 0.00 0.00 64.21 63.11 3mjh n SER 123 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3mjh h PRO 124 N 3.56 0.00 -0.00 1.43 0.13 -1.94 -2.02 132.00 133.16 3mjh h PRO 124 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3mjh h PRO 124 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3mjh h PRO 124 CO 0.71 0.00 -0.04 0.27 -0.23 0.00 0.00 178.00 178.71 3mjh n ASN 125 N -4.34 0.22 -4.64 1.44 0.23 -1.26 -4.96 115.26 101.94 3mjh n ASN 125 Ca 0.07 -0.52 -0.47 0.00 -0.53 0.00 0.00 54.58 53.13 3mjh n ASN 125 Cb 0.49 -0.14 -0.04 0.00 -2.08 0.00 0.00 39.78 38.01 3mjh n ASN 125 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mjh n ILE 126 N -1.06 0.36 -3.24 1.53 3.06 -0.76 -4.95 119.36 114.30 3mjh n ILE 126 Ca 0.16 -0.09 -0.41 0.00 -2.50 0.00 0.00 62.75 59.92 3mjh n ILE 126 Cb 0.23 -1.30 -0.08 0.00 0.54 0.00 0.00 39.64 39.03 3mjh n ILE 126 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3mjh s VAL 127 N 0.44 5.03 -0.19 9.51 1.01 -0.28 -4.96 120.40 130.97 3mjh s VAL 127 Ca 0.76 0.55 -0.06 0.00 0.00 0.00 0.00 61.98 63.24 3mjh s VAL 127 Cb -0.74 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 3mjh s VAL 127 CO 0.44 -0.10 0.03 -0.63 0.00 0.00 0.00 175.10 174.85 3mjh s ILE 128 N 2.37 4.40 -0.01 2.22 1.01 -1.26 -1.05 121.20 128.87 3mjh s ILE 128 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3mjh s ILE 128 Cb -0.15 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3mjh s ILE 128 CO 0.12 0.44 0.04 0.00 0.00 0.00 0.00 174.94 175.53 3mjh s ALA 129 N 0.68 3.42 -0.18 9.38 0.00 0.95 -1.47 121.76 134.54 3mjh s ALA 129 Ca 0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 3mjh s ALA 129 Cb -0.14 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 3mjh s ALA 129 CO 0.02 0.66 -0.07 -1.17 0.00 0.00 0.00 175.76 175.19 3mjh s LEU 130 N -1.56 2.87 -0.24 0.00 2.96 0.17 -0.79 118.68 122.09 3mjh s LEU 130 Ca 0.20 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3mjh s LEU 130 Cb -0.12 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3mjh s LEU 130 CO 0.11 0.07 0.04 -0.55 -1.32 0.00 0.00 176.35 174.69 3mjh s SER 131 N 0.96 4.90 -0.94 3.68 0.15 -0.18 -2.31 113.70 119.96 3mjh s SER 131 Ca -0.01 -0.26 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 3mjh s SER 131 Cb -0.15 -1.87 0.16 0.00 -1.71 0.00 0.00 66.02 62.45 3mjh s SER 131 CO 0.00 -0.03 1.09 -0.83 1.20 0.00 0.00 173.24 174.66 3mjh s GLY 132 N 1.58 2.17 0.62 9.45 0.00 -0.61 -0.71 107.32 119.82 3mjh s GLY 132 Ca 0.06 -2.98 -0.06 0.00 0.00 0.00 0.00 44.72 41.75 3mjh s GLY 132 CO 0.02 1.84 0.93 0.21 0.00 0.00 0.00 173.10 176.10 3mjh s ASN 133 N 3.18 5.34 -1.19 1.64 2.47 0.15 -0.94 114.94 125.58 3mjh s ASN 133 Ca 0.31 0.59 0.00 0.00 0.42 0.00 0.00 52.86 54.18 3mjh s ASN 133 Cb -0.06 -1.48 0.00 0.00 -1.45 0.00 0.00 41.25 38.27 3mjh s ASN 133 CO -0.08 -1.23 0.00 0.29 -3.72 0.00 0.00 177.10 172.35 3mjh n LYS 134 N -2.67 -1.09 0.00 0.43 5.02 -1.00 -1.54 118.16 117.31 3mjh n LYS 134 Ca 0.06 0.69 0.05 0.00 -2.02 0.00 0.00 58.31 57.09 3mjh n LYS 134 Cb 0.59 -4.94 0.27 0.00 -0.02 0.00 0.00 35.03 30.93 3mjh n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mjh n ALA 135 N -1.48 1.68 0.39 7.82 0.00 -0.70 -1.06 120.51 127.16 3mjh n ALA 135 Ca -0.16 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.36 3mjh n ALA 135 Cb 0.61 -1.17 0.49 0.00 0.00 0.00 0.00 19.45 19.38 3mjh n ALA 135 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3mjh h ASP 136 N 0.00 0.00 -0.94 0.00 2.03 -1.91 -3.06 116.42 112.54 3mjh h ASP 136 Ca 0.00 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.67 3mjh h ASP 136 Cb 0.09 0.00 -0.27 0.00 -0.83 0.00 0.00 39.33 38.32 3mjh h ASP 136 CO 0.00 0.00 0.81 0.18 -1.03 0.00 0.00 179.24 179.20 3mjh n LEU 137 N -2.56 7.50 0.29 0.15 4.77 -0.23 -4.71 117.00 122.21 3mjh n LEU 137 Ca 0.03 -4.13 0.18 0.00 -0.03 0.00 0.00 56.01 52.06 3mjh n LEU 137 Cb 0.32 -0.98 0.88 0.00 -2.33 0.00 0.00 43.42 41.31 3mjh n LEU 137 CO 0.25 1.41 1.05 0.00 -1.33 0.00 0.00 177.39 178.78 3mjh h ALA 138 N 1.87 1.07 0.00 -1.18 0.00 -1.74 -0.76 119.26 118.53 3mjh h ALA 138 Ca 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3mjh h ALA 138 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3mjh h ALA 138 CO 1.47 0.04 0.00 0.27 0.00 0.00 0.00 179.25 181.04 3mjh n ASN 139 N -3.23 0.00 -0.88 0.00 6.94 -1.26 -1.91 115.26 114.92 3mjh n ASN 139 Ca -0.01 0.42 0.08 0.00 -0.02 0.00 0.00 54.58 55.05 3mjh n ASN 139 Cb 0.21 -0.47 0.25 0.00 -2.36 0.00 0.00 39.78 37.42 3mjh n ASN 139 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3mjh n LYS 140 N -1.47 2.92 -1.60 -3.83 5.02 -0.30 -5.05 118.16 113.86 3mjh n LYS 140 Ca 0.06 -2.80 -0.49 0.00 -2.02 0.00 0.00 58.31 53.05 3mjh n LYS 140 Cb 0.22 -1.82 -0.04 0.00 -0.02 0.00 0.00 35.03 33.37 3mjh n LYS 140 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3mjh n ARG 141 N -0.46 1.31 -0.03 1.97 0.63 -0.80 -4.44 116.66 114.85 3mjh n ARG 141 Ca 0.21 0.47 -0.02 0.00 -0.92 0.00 0.00 57.85 57.59 3mjh n ARG 141 Cb 0.87 -2.03 -0.05 0.00 0.45 0.00 0.00 32.46 31.70 3mjh n ARG 141 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mjh n ALA 142 N 1.87 1.90 -2.82 5.13 0.00 0.61 -4.93 120.51 122.27 3mjh n ALA 142 Ca 0.15 -0.35 -0.39 0.00 0.00 0.00 0.00 53.44 52.85 3mjh n ALA 142 Cb 0.24 0.09 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 3mjh n ALA 142 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mjh s VAL 143 N -2.17 4.67 0.32 0.00 1.01 -0.45 -4.80 120.40 118.98 3mjh s VAL 143 Ca -0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 3mjh s VAL 143 Cb 0.02 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.87 3mjh s VAL 143 CO 0.24 -0.01 1.41 -0.62 0.00 0.00 0.00 175.10 176.12 3mjh s ASP 144 N 1.61 6.59 0.16 3.32 3.68 -1.26 -4.94 116.67 125.83 3mjh s ASP 144 Ca 0.04 2.81 -0.17 0.00 2.13 0.00 0.00 52.55 57.36 3mjh s ASP 144 Cb -0.18 -2.65 0.08 0.00 -1.45 0.00 0.00 42.92 38.72 3mjh s ASP 144 CO 0.07 -0.70 1.68 0.15 0.13 0.00 0.00 175.17 176.50 3mjh h PHE 145 N 3.73 -0.15 0.00 -5.34 3.57 -2.00 -2.81 116.94 113.95 3mjh h PHE 145 Ca -0.49 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 60.97 3mjh h PHE 145 Cb 1.23 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 3mjh h PHE 145 CO 0.56 -0.14 -0.36 0.37 -2.23 0.00 0.00 178.31 176.51 3mjh h GLN 146 N 0.02 0.00 -0.25 1.11 5.75 -1.98 -0.35 115.11 119.40 3mjh h GLN 146 Ca 0.18 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 3mjh h GLN 146 Cb 0.26 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3mjh h GLN 146 CO -0.36 0.36 0.08 1.49 -2.65 0.00 0.00 178.83 177.75 3mjh h GLU 147 N 0.00 0.39 -0.54 1.69 4.81 -1.90 -0.76 114.58 118.28 3mjh h GLU 147 Ca -0.00 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 3mjh h GLU 147 Cb 0.75 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 3mjh h GLU 147 CO 0.05 0.47 -0.13 0.00 -0.73 0.00 0.00 179.01 178.67 3mjh h ALA 148 N 0.91 0.75 -0.69 2.92 0.00 -1.21 -2.09 119.26 119.85 3mjh h ALA 148 Ca 0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3mjh h ALA 148 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3mjh h ALA 148 CO -0.00 0.68 0.32 0.37 0.00 0.00 0.00 179.25 180.62 3mjh h GLN 149 N 0.91 0.99 -0.69 0.00 5.75 -1.06 0.05 115.11 121.06 3mjh h GLN 149 Ca 0.14 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3mjh h GLN 149 Cb 0.70 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.04 3mjh h GLN 149 CO 0.05 0.79 0.25 0.77 -2.65 0.00 0.00 178.83 178.04 3mjh h SER 150 N 0.96 0.98 -0.47 -0.69 0.02 -0.98 0.33 113.55 113.70 3mjh h SER 150 Ca 0.23 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3mjh h SER 150 Cb 0.13 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3mjh h SER 150 CO -0.03 0.91 -0.02 0.22 -1.14 0.00 0.00 176.83 176.77 3mjh h TYR 151 N 1.00 0.92 0.32 3.45 3.20 -1.09 -1.89 116.97 122.88 3mjh h TYR 151 Ca 0.23 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3mjh h TYR 151 Cb 0.25 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3mjh h TYR 151 CO 0.02 0.89 -0.15 0.00 -1.64 0.00 0.00 178.16 177.28 3mjh h ALA 152 N 0.91 -0.43 -0.57 1.82 0.00 -0.58 -2.99 119.26 117.42 3mjh h ALA 152 Ca 0.13 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3mjh h ALA 152 Cb 0.53 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 3mjh h ALA 152 CO 0.03 -0.69 0.13 -0.44 0.00 0.00 0.00 179.25 178.28 3mjh h ASP 153 N -0.53 0.03 0.29 0.00 3.32 -0.37 -0.17 116.42 119.00 3mjh h ASP 153 Ca -0.04 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3mjh h ASP 153 Cb 0.39 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3mjh h ASP 153 CO 0.07 0.03 0.00 0.44 -1.72 0.00 0.00 179.24 178.06 3mjh h ASP 154 N 0.27 0.00 0.00 6.45 5.19 -1.30 -2.99 116.42 124.05 3mjh h ASP 154 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3mjh h ASP 154 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 3mjh h ASP 154 CO -0.37 0.00 -0.04 0.59 -3.12 0.00 0.00 179.24 176.30 3mjh n ASN 155 N -2.32 1.49 -3.58 6.45 3.02 -0.69 -5.00 115.26 114.64 3mjh n ASN 155 Ca -0.00 -2.00 -0.27 0.00 -0.03 0.00 0.00 54.58 52.28 3mjh n ASN 155 Cb 0.11 -0.10 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3mjh n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mjh n SER 156 N -0.54 -4.99 -4.86 6.41 7.64 -0.54 -4.98 113.62 111.76 3mjh n SER 156 Ca 0.03 -0.57 -0.34 0.00 1.01 0.00 0.00 58.87 59.01 3mjh n SER 156 Cb 0.41 -4.01 -0.05 0.00 -1.01 0.00 0.00 64.21 59.55 3mjh n SER 156 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3mjh s LEU 157 N -6.99 4.28 -0.34 -3.43 1.43 -0.19 -4.71 118.68 108.73 3mjh s LEU 157 Ca 0.53 0.93 -0.24 0.00 -1.03 0.00 0.00 54.13 54.32 3mjh s LEU 157 Cb -0.26 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 42.62 3mjh s LEU 157 CO 0.65 0.06 0.84 -0.76 0.23 0.00 0.00 176.35 177.37 3mjh s LEU 158 N -2.28 4.07 -0.12 1.79 1.43 -0.54 -4.40 118.68 118.63 3mjh s LEU 158 Ca 0.40 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 3mjh s LEU 158 Cb -0.13 -3.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 3mjh s LEU 158 CO 0.20 -0.73 -0.17 0.12 0.23 0.00 0.00 176.35 176.00 3mjh s PHE 159 N 3.17 2.72 0.02 0.29 5.36 -1.26 0.46 117.98 128.74 3mjh s PHE 159 Ca 0.34 -0.80 -0.01 0.00 -0.96 0.00 0.00 56.93 55.50 3mjh s PHE 159 Cb -0.13 -1.80 -0.02 0.00 -0.34 0.00 0.00 43.02 40.73 3mjh s PHE 159 CO 0.16 -0.29 -0.01 -1.64 -1.46 0.00 0.00 175.22 171.97 3mjh s MET 160 N 0.36 0.35 -0.05 10.12 -1.94 -0.98 -4.99 119.30 122.17 3mjh s MET 160 Ca -0.14 -0.62 -0.22 0.00 -1.71 0.00 0.00 55.69 53.00 3mjh s MET 160 Cb -0.17 0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.76 3mjh s MET 160 CO 0.07 -0.06 0.65 -1.21 -0.01 0.00 0.00 175.02 174.46 3mjh s GLU 161 N -1.58 4.40 0.29 2.03 2.02 -1.26 -1.58 118.70 123.01 3mjh s GLU 161 Ca -0.15 0.81 0.08 0.00 0.02 0.00 0.00 54.97 55.73 3mjh s GLU 161 Cb -0.09 -3.41 -0.06 0.00 0.10 0.00 0.00 34.13 30.67 3mjh s GLU 161 CO -0.01 0.17 -0.08 0.95 0.02 0.00 0.00 175.26 176.31 3mjh s THR 162 N 0.45 1.84 -0.19 3.63 -4.23 -0.12 -4.61 115.64 112.40 3mjh s THR 162 Ca 0.35 -2.17 -0.05 0.00 -1.18 0.00 0.00 61.69 58.64 3mjh s THR 162 Cb -0.18 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.30 3mjh s THR 162 CO 0.17 -0.32 0.13 -0.55 -0.54 0.00 0.00 174.62 173.52 3mjh s SER 163 N -3.47 2.21 0.40 3.99 0.15 -0.25 -1.73 113.70 115.00 3mjh s SER 163 Ca 0.29 -0.59 0.09 0.00 0.70 0.00 0.00 55.95 56.44 3mjh s SER 163 Cb 0.02 -0.07 0.86 0.00 -1.71 0.00 0.00 66.02 65.12 3mjh s SER 163 CO 0.13 -0.36 2.00 0.00 1.20 0.00 0.00 173.24 176.21 3mjh h ALA 164 N 8.39 1.80 0.48 5.45 0.00 -1.89 0.30 119.26 133.79 3mjh h ALA 164 Ca -0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3mjh h ALA 164 Cb 1.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3mjh h ALA 164 CO 0.31 0.11 -0.23 -0.22 0.00 0.00 0.00 179.25 179.22 3mjh h LYS 165 N 0.59 -0.62 0.00 0.00 3.64 -1.94 -3.28 116.57 114.96 3mjh h LYS 165 Ca 0.25 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.62 3mjh h LYS 165 Cb 0.24 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3mjh h LYS 165 CO -0.07 -0.39 -0.89 1.79 -2.27 0.00 0.00 179.45 177.62 3mjh h THR 166 N -0.71 0.19 0.00 1.00 1.35 -1.97 -3.48 112.91 109.29 3mjh h THR 166 Ca -0.07 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 3mjh h THR 166 Cb 0.53 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3mjh h THR 166 CO 0.11 0.11 0.00 -1.54 -0.25 0.00 0.00 175.52 173.95 3mjh n SER 167 N -2.85 -0.10 -4.68 5.36 3.41 0.10 -5.04 113.62 109.83 3mjh n SER 167 Ca -0.01 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.12 3mjh n SER 167 Cb 0.63 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 3mjh n SER 167 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3mjh n MET 168 N -2.03 2.26 -1.17 4.33 0.00 -0.93 -2.48 117.12 117.09 3mjh n MET 168 Ca 0.00 0.83 -0.06 0.00 0.00 0.00 0.00 57.70 58.47 3mjh n MET 168 Cb 0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 33.22 30.52 3mjh n MET 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3mjh n ASN 169 N 6.27 -5.64 0.20 6.12 3.02 -1.26 -1.10 115.26 122.88 3mjh n ASN 169 Ca 0.22 0.14 -0.12 0.00 -0.03 0.00 0.00 54.58 54.79 3mjh n ASN 169 Cb 0.31 -3.65 -0.07 0.00 -0.61 0.00 0.00 39.78 35.76 3mjh n ASN 169 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3mjh h VAL 170 N 0.00 0.36 -0.67 2.41 2.07 -1.79 -1.25 116.25 117.38 3mjh h VAL 170 Ca -0.12 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3mjh h VAL 170 Cb 1.02 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3mjh h VAL 170 CO 0.17 0.07 0.39 0.78 0.02 0.00 0.00 177.57 179.01 3mjh h ASN 171 N -1.01 0.80 -0.83 0.57 2.35 -1.91 -3.08 115.58 112.48 3mjh h ASN 171 Ca -0.06 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3mjh h ASN 171 Cb 0.54 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 3mjh h ASN 171 CO 0.09 0.63 0.37 -0.33 -1.65 0.00 0.00 177.43 176.54 3mjh h GLU 172 N 0.92 1.21 -0.36 0.81 3.07 -1.91 -0.69 114.58 117.64 3mjh h GLU 172 Ca 0.24 -0.19 -0.16 0.00 -0.50 0.00 0.00 59.36 58.74 3mjh h GLU 172 Cb -0.02 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 3mjh h GLU 172 CO -0.04 0.95 -0.41 0.97 -1.40 0.00 0.00 179.01 179.08 3mjh h ILE 173 N 1.19 1.27 -0.20 3.13 2.10 -1.14 -1.17 117.51 122.70 3mjh h ILE 173 Ca 0.28 -1.58 -0.11 0.00 1.08 0.00 0.00 64.86 64.53 3mjh h ILE 173 Cb 0.16 1.43 -0.01 0.00 -1.09 0.00 0.00 36.82 37.30 3mjh h ILE 173 CO -0.03 0.53 -0.34 -0.26 -1.08 0.00 0.00 178.15 176.96 3mjh h PHE 174 N 0.72 0.48 -0.42 2.19 0.04 -1.47 -2.12 116.94 116.36 3mjh h PHE 174 Ca 0.05 -0.12 -0.10 0.00 2.80 0.00 0.00 57.97 60.60 3mjh h PHE 174 Cb 0.99 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 3mjh h PHE 174 CO 0.06 0.71 -0.14 1.98 -0.60 0.00 0.00 178.31 180.32 3mjh h MET 175 N 0.36 0.78 -0.58 1.51 4.05 -0.98 -1.85 114.93 118.22 3mjh h MET 175 Ca 0.04 -0.28 -0.04 0.00 -0.28 0.00 0.00 59.70 59.14 3mjh h MET 175 Cb 0.77 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 3mjh h MET 175 CO 0.06 0.88 0.19 0.00 0.23 0.00 0.00 176.91 178.27 3mjh h ALA 176 N 1.14 0.76 0.27 0.39 0.00 -0.92 -2.05 119.26 118.84 3mjh h ALA 176 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3mjh h ALA 176 Cb 0.64 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3mjh h ALA 176 CO 0.04 0.41 -0.13 0.82 0.00 0.00 0.00 179.25 180.40 3mjh h ILE 177 N 0.81 0.74 -0.98 0.00 2.04 -1.31 -2.89 117.51 115.92 3mjh h ILE 177 Ca 0.19 -0.04 0.22 0.00 1.00 0.00 0.00 64.86 66.22 3mjh h ILE 177 Cb 0.27 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 3mjh h ILE 177 CO -0.01 0.01 0.62 0.00 0.00 0.00 0.00 178.15 178.78 3mjh h ALA 178 N 0.34 2.05 -0.46 1.87 0.00 -1.05 -1.34 119.26 120.68 3mjh h ALA 178 Ca -0.04 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3mjh h ALA 178 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3mjh h ALA 178 CO 0.06 -0.40 -0.13 -0.22 0.00 0.00 0.00 179.25 178.56 3mjh h LYS 179 N 0.51 0.90 0.02 0.00 3.64 -1.25 -3.18 116.57 117.21 3mjh h LYS 179 Ca 0.54 -0.36 -0.21 0.00 -1.27 0.00 0.00 60.65 59.36 3mjh h LYS 179 Cb 1.19 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3mjh h LYS 179 CO -0.27 1.00 -0.95 -0.22 -2.27 0.00 0.00 179.45 176.74 3mjh h LYS 180 N 0.74 0.10 -6.99 1.90 3.64 -1.09 -3.46 116.57 111.41 3mjh h LYS 180 Ca 0.11 -0.14 -0.54 0.00 -1.27 0.00 0.00 60.65 58.82 3mjh h LYS 180 Cb 0.69 0.05 0.11 0.00 -0.41 0.00 0.00 32.23 32.66 3mjh h LYS 180 CO 0.05 0.97 0.64 -0.51 -2.27 0.00 0.00 179.45 178.33 3mjh s LEU 181 N -7.11 4.08 0.06 5.20 1.43 -0.61 -4.94 118.68 116.79 3mjh s LEU 181 Ca -0.01 2.76 -0.31 0.00 -1.03 0.00 0.00 54.13 55.55 3mjh s LEU 181 Cb 0.10 -4.02 -0.07 0.00 0.03 0.00 0.00 46.19 42.23 3mjh s LEU 181 CO 0.83 -1.15 1.48 -2.16 0.23 0.00 0.00 176.35 175.58 3mjh s PRO 182 N -2.50 4.26 0.00 1.29 0.04 -1.26 -5.00 135.00 131.82 3mjh s PRO 182 Ca 0.62 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.78 3mjh s PRO 182 Cb -0.40 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.66 3mjh s PRO 182 CO 0.51 -0.59 0.34 1.63 0.04 0.00 0.00 177.00 178.92