#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjh s ILE 18 N 0.00 0.41 0.01 -0.18 -4.36 -1.26 -1.49 121.20 114.33 3mjh s ILE 18 Ca 0.00 -0.14 0.04 0.00 -0.26 0.00 0.00 60.65 60.29 3mjh s ILE 18 Cb 0.00 -0.40 -0.01 0.00 1.25 0.00 0.00 42.46 43.29 3mjh s ILE 18 CO 0.00 0.16 -0.13 0.00 0.24 0.00 0.00 174.94 175.20 3mjh s GLN 20 N -0.57 3.19 0.04 0.00 0.74 -1.26 -0.13 119.66 121.68 3mjh s GLN 20 Ca 0.04 -0.73 0.07 0.00 0.05 0.00 0.00 55.36 54.79 3mjh s GLN 20 Cb -0.06 -2.53 -0.02 0.00 1.10 0.00 0.00 33.01 31.50 3mjh s GLN 20 CO 0.00 0.26 -0.20 -0.06 -0.55 0.00 0.00 175.29 174.74 3mjh s PHE 21 N 0.20 1.78 -0.12 1.67 0.08 0.42 -4.95 117.98 117.06 3mjh s PHE 21 Ca -0.09 -0.37 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 3mjh s PHE 21 Cb -0.16 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 3mjh s PHE 21 CO 0.06 0.08 0.74 0.21 -0.10 0.00 0.00 175.22 176.21 3mjh s LYS 22 N -1.15 4.35 -0.02 0.44 2.20 -1.26 -0.21 119.74 124.09 3mjh s LYS 22 Ca 0.07 0.89 0.04 0.00 -0.36 0.00 0.00 55.97 56.62 3mjh s LYS 22 Cb -0.09 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 3mjh s LYS 22 CO 0.02 -0.13 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.56 3mjh s LEU 23 N 1.47 1.97 0.01 5.43 0.20 0.60 -1.44 118.68 126.91 3mjh s LEU 23 Ca 0.36 -0.28 0.06 0.00 0.69 0.00 0.00 54.13 54.96 3mjh s LEU 23 Cb -0.17 -0.80 -0.02 0.00 -0.43 0.00 0.00 46.19 44.77 3mjh s LEU 23 CO 0.15 0.16 -0.19 0.54 -0.29 0.00 0.00 176.35 176.72 3mjh s VAL 24 N -0.19 1.50 -0.13 1.68 0.11 -0.82 -0.18 120.40 122.36 3mjh s VAL 24 Ca 0.02 -0.92 -0.01 0.00 -2.93 0.00 0.00 61.98 58.14 3mjh s VAL 24 Cb -0.08 -1.27 -0.02 0.00 -1.53 0.00 0.00 36.38 33.48 3mjh s VAL 24 CO 0.00 0.33 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.26 3mjh s LEU 25 N -0.69 3.01 0.05 2.54 1.02 -0.51 0.32 118.68 124.42 3mjh s LEU 25 Ca 0.07 -0.19 0.05 0.00 0.02 0.00 0.00 54.13 54.07 3mjh s LEU 25 Cb -0.08 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 3mjh s LEU 25 CO 0.00 0.20 -0.13 -0.76 0.02 0.00 0.00 176.35 175.68 3mjh s LEU 26 N 0.16 2.20 0.00 1.79 1.43 -0.27 -3.37 118.68 120.62 3mjh s LEU 26 Ca -0.04 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3mjh s LEU 26 Cb -0.14 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.56 3mjh s LEU 26 CO 0.04 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.21 3mjh n GLY 27 N 1.72 2.90 3.49 -3.19 0.00 -1.26 -0.38 105.19 108.46 3mjh n GLY 27 Ca -0.19 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 3mjh n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mjh n GLU 28 N -1.18 0.59 -1.70 1.61 2.13 -1.26 -4.22 120.64 116.62 3mjh n GLU 28 Ca 0.00 0.23 -0.42 0.00 0.66 0.00 0.00 57.16 57.62 3mjh n GLU 28 Cb 0.00 -1.75 -0.00 0.00 0.27 0.00 0.00 31.44 29.95 3mjh n GLU 28 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3mjh n SER 29 N 0.40 2.69 0.00 4.31 7.64 -1.26 -2.89 113.62 124.51 3mjh n SER 29 Ca 0.12 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.19 3mjh n SER 29 Cb 0.47 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 3mjh n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mjh n ALA 30 N 0.28 0.00 0.28 -0.43 0.00 -1.26 -4.90 120.51 114.48 3mjh n ALA 30 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.66 3mjh n ALA 30 Cb 0.36 -0.55 0.77 0.00 0.00 0.00 0.00 19.45 20.03 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 0.18 0.00 0.00 -1.51 -1.89 -3.47 116.25 109.57 3mjh h VAL 31 Ca 0.00 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3mjh h VAL 31 Cb 0.33 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3mjh h VAL 31 CO 0.00 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 3mjh n GLY 32 N -0.30 1.71 0.15 5.19 0.00 -1.26 -4.59 105.19 106.08 3mjh n GLY 32 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.11 -0.02 0.00 1.61 1.57 -1.90 0.73 116.57 118.67 3mjh h LYS 33 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 3mjh h LYS 33 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3mjh h LYS 33 CO 0.00 -0.02 -0.67 0.77 -0.57 0.00 0.00 179.45 178.96 3mjh h SER 34 N -0.03 0.00 -0.33 0.86 0.02 -1.96 -2.71 113.55 109.41 3mjh h SER 34 Ca 0.14 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3mjh h SER 34 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3mjh h SER 34 CO -0.31 0.67 -0.01 0.28 -1.14 0.00 0.00 176.83 176.32 3mjh h SER 35 N 0.00 0.59 -0.65 3.07 0.02 -1.83 -0.12 113.55 114.63 3mjh h SER 35 Ca -0.01 -0.32 0.08 0.00 -0.84 0.00 0.00 61.79 60.70 3mjh h SER 35 Cb 1.21 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.53 3mjh h SER 35 CO 0.09 0.77 0.32 -0.07 -1.14 0.00 0.00 176.83 176.79 3mjh h LEU 36 N 0.40 0.42 -0.16 5.07 3.38 -0.74 0.30 115.31 123.99 3mjh h LEU 36 Ca 0.09 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3mjh h LEU 36 Cb 0.47 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3mjh h LEU 36 CO 0.02 0.26 -0.07 0.58 0.09 0.00 0.00 178.44 179.32 3mjh h VAL 37 N 0.57 1.31 -0.86 1.22 2.07 -1.38 -1.43 116.25 117.74 3mjh h VAL 37 Ca 0.31 -1.09 0.12 0.00 0.82 0.00 0.00 66.70 66.86 3mjh h VAL 37 Cb 0.29 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.68 3mjh h VAL 37 CO -0.24 0.32 0.48 0.25 0.02 0.00 0.00 177.57 178.41 3mjh h LEU 38 N -0.00 0.65 -0.17 2.57 5.85 -0.74 0.41 115.31 123.87 3mjh h LEU 38 Ca 0.04 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3mjh h LEU 38 Cb 0.53 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3mjh h LEU 38 CO 0.02 0.33 0.06 -0.09 -0.34 0.00 0.00 178.44 178.42 3mjh h ARG 39 N 0.75 0.26 -0.30 1.25 9.65 -0.64 0.10 114.38 125.45 3mjh h ARG 39 Ca 0.44 -0.05 -0.14 0.00 -1.10 0.00 0.00 59.98 59.13 3mjh h ARG 39 Cb 0.51 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3mjh h ARG 39 CO -0.30 0.37 -0.34 0.35 2.80 0.00 0.00 179.97 182.85 3mjh h PHE 40 N 0.10 0.93 0.20 2.20 3.57 -0.68 -1.10 116.94 122.16 3mjh h PHE 40 Ca 0.06 -0.29 -0.35 0.00 3.53 0.00 0.00 57.97 60.92 3mjh h PHE 40 Cb 0.21 -0.19 0.02 0.00 2.79 0.00 0.00 35.95 38.78 3mjh h PHE 40 CO -0.00 1.06 -1.68 0.28 -2.23 0.00 0.00 178.31 175.74 3mjh h VAL 41 N 0.52 1.03 -0.00 1.41 2.07 -0.25 -3.41 116.25 117.63 3mjh h VAL 41 Ca 0.04 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.99 3mjh h VAL 41 Cb 0.93 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 3mjh h VAL 41 CO 0.08 0.85 -0.03 0.29 0.02 0.00 0.00 177.57 178.77 3mjh n LYS 42 N -3.62 3.86 -2.69 1.57 5.02 0.31 -5.00 118.16 117.61 3mjh n LYS 42 Ca -0.22 -0.21 -0.18 0.00 -2.02 0.00 0.00 58.31 55.67 3mjh n LYS 42 Cb 1.08 -0.73 0.02 0.00 -0.02 0.00 0.00 35.03 35.38 3mjh n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mjh n GLY 43 N 0.67 -0.32 3.31 0.72 0.00 -0.42 -4.97 105.19 104.18 3mjh n GLY 43 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.28 1.24 -0.08 1.61 -0.21 -1.15 -4.96 119.66 110.82 3mjh s GLN 44 Ca 0.16 -1.58 -0.04 0.00 0.02 0.00 0.00 55.36 53.93 3mjh s GLN 44 Cb -0.07 -0.72 0.04 0.00 1.00 0.00 0.00 33.01 33.26 3mjh s GLN 44 CO 0.20 0.02 0.19 0.12 -2.12 0.00 0.00 175.29 173.70 3mjh s PHE 45 N -3.29 -0.23 -0.21 0.91 5.36 -1.26 -2.51 117.98 116.74 3mjh s PHE 45 Ca 0.23 0.63 -0.06 0.00 -0.96 0.00 0.00 56.93 56.77 3mjh s PHE 45 Cb 0.03 -0.07 -0.03 0.00 -0.34 0.00 0.00 43.02 42.61 3mjh s PHE 45 CO 0.05 -0.22 0.03 -1.01 -1.46 0.00 0.00 175.22 172.62 3mjh s HIS 46 N 1.48 3.09 0.38 10.12 3.76 -1.26 -4.99 115.29 127.87 3mjh s HIS 46 Ca -0.06 -0.35 0.06 0.00 -0.15 0.00 0.00 55.06 54.56 3mjh s HIS 46 Cb -0.11 -2.13 0.77 0.00 1.11 0.00 0.00 32.58 32.22 3mjh s HIS 46 CO -0.07 -0.20 2.00 1.05 -0.85 0.00 0.00 174.74 176.67 3mjh h GLU 47 N 7.57 0.68 -5.09 1.40 4.11 -2.03 -3.39 114.58 117.82 3mjh h GLU 47 Ca -0.37 -0.04 -0.67 0.00 0.07 0.00 0.00 59.36 58.36 3mjh h GLU 47 Cb 1.18 -0.15 -0.32 0.00 0.50 0.00 0.00 28.75 29.96 3mjh h GLU 47 CO 0.61 0.45 -0.81 -0.06 0.07 0.00 0.00 179.01 179.28 3mjh s PHE 48 N -5.62 2.82 -0.05 2.06 0.08 -1.26 -5.10 117.98 110.91 3mjh s PHE 48 Ca -0.09 -1.26 0.00 0.00 0.12 0.00 0.00 56.93 55.70 3mjh s PHE 48 Cb 0.18 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3mjh s PHE 48 CO 0.76 -0.62 -0.01 -1.14 -0.10 0.00 0.00 175.22 174.10 3mjh s GLN 49 N 1.16 0.54 0.29 0.44 2.00 -1.26 -5.13 119.66 117.70 3mjh s GLN 49 Ca 0.01 0.04 -0.29 0.00 -2.00 0.00 0.00 55.36 53.11 3mjh s GLN 49 Cb -0.14 -0.73 -0.10 0.00 0.80 0.00 0.00 33.01 32.84 3mjh s GLN 49 CO -0.06 -0.17 1.42 -2.00 -0.50 0.00 0.00 175.29 173.98 3mjh s GLU 50 N 1.27 4.26 0.20 1.67 2.12 -1.26 -4.95 118.70 122.02 3mjh s GLU 50 Ca -0.06 2.33 -0.32 0.00 0.36 0.00 0.00 54.97 57.27 3mjh s GLU 50 Cb -0.13 -3.08 -0.14 0.00 0.26 0.00 0.00 34.13 31.04 3mjh s GLU 50 CO -0.02 -0.38 1.35 0.43 -0.54 0.00 0.00 175.26 176.10 3mjh n SER 51 N 1.68 2.29 -4.76 -1.70 7.64 -1.26 -4.94 113.62 112.58 3mjh n SER 51 Ca 0.04 1.13 -0.40 0.00 1.01 0.00 0.00 58.87 60.65 3mjh n SER 51 Cb 0.40 -1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.22 3mjh n SER 51 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mjh s THR 52 N 0.06 3.37 -0.37 0.44 2.01 -1.26 -5.02 115.64 114.87 3mjh s THR 52 Ca 0.72 1.36 -0.03 0.00 0.31 0.00 0.00 61.69 64.05 3mjh s THR 52 Cb -0.74 -3.87 0.08 0.00 0.01 0.00 0.00 72.50 67.99 3mjh s THR 52 CO 0.49 0.32 0.13 -0.63 -0.69 0.00 0.00 174.62 174.23 3mjh s ILE 53 N -1.08 3.27 0.00 1.82 1.01 -1.26 -4.53 121.20 120.42 3mjh s ILE 53 Ca 0.46 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 59.39 3mjh s ILE 53 Cb -0.33 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3mjh s ILE 53 CO 0.43 -0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.54 3mjh n GLY 54 N 4.63 1.61 3.54 6.18 0.00 -1.26 -4.82 105.19 115.07 3mjh n GLY 54 Ca -0.07 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.11 -1.58 -0.08 4.61 0.00 -1.26 0.59 121.76 122.93 3mjh s ALA 55 Ca 0.00 1.85 -0.12 0.00 0.00 0.00 0.00 51.96 53.69 3mjh s ALA 55 Cb 0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 3mjh s ALA 55 CO 0.00 -0.31 0.29 0.00 0.00 0.00 0.00 175.76 175.75 3mjh s ALA 56 N 0.57 3.73 -0.21 0.00 0.00 0.29 -4.91 121.76 121.23 3mjh s ALA 56 Ca -0.02 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 3mjh s ALA 56 Cb -0.05 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 3mjh s ALA 56 CO -0.03 0.43 0.02 0.12 0.00 0.00 0.00 175.76 176.30 3mjh s PHE 57 N -0.67 3.06 0.06 0.00 5.36 -1.26 -0.78 117.98 123.75 3mjh s PHE 57 Ca 0.19 -0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 55.74 3mjh s PHE 57 Cb -0.14 -2.11 -0.04 0.00 -0.34 0.00 0.00 43.02 40.39 3mjh s PHE 57 CO 0.08 -0.23 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.07 3mjh s LEU 58 N 1.06 2.44 0.01 6.12 1.43 -0.85 -5.01 118.68 123.88 3mjh s LEU 58 Ca 0.03 -1.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.13 3mjh s LEU 58 Cb -0.14 0.18 -0.01 0.00 0.03 0.00 0.00 46.19 46.24 3mjh s LEU 58 CO 0.02 -0.60 -0.06 0.42 0.23 0.00 0.00 176.35 176.36 3mjh s THR 59 N -3.90 0.46 0.15 5.49 -4.23 -1.26 -0.30 115.64 112.05 3mjh s THR 59 Ca 0.09 -0.44 -0.10 0.00 -1.18 0.00 0.00 61.69 60.06 3mjh s THR 59 Cb 0.08 -0.43 -0.00 0.00 1.34 0.00 0.00 72.50 73.49 3mjh s THR 59 CO -0.09 -0.00 0.29 -1.58 -0.54 0.00 0.00 174.62 172.70 3mjh s GLN 60 N -0.48 1.11 0.16 3.99 2.00 -1.14 -4.94 119.66 120.36 3mjh s GLN 60 Ca -0.01 -1.08 0.11 0.00 -2.00 0.00 0.00 55.36 52.38 3mjh s GLN 60 Cb -0.04 0.39 -0.04 0.00 0.80 0.00 0.00 33.01 34.12 3mjh s GLN 60 CO -0.00 -0.41 -0.25 0.95 -0.50 0.00 0.00 175.29 175.08 3mjh s THR 61 N -3.93 2.25 -0.14 -0.34 -4.23 -1.26 -1.01 115.64 106.97 3mjh s THR 61 Ca 0.13 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 3mjh s THR 61 Cb 0.03 -2.02 -0.00 0.00 1.34 0.00 0.00 72.50 71.85 3mjh s THR 61 CO -0.03 -0.02 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.16 3mjh s VAL 62 N -1.36 2.47 -0.36 2.29 1.01 0.82 -4.99 120.40 120.29 3mjh s VAL 62 Ca 0.16 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 3mjh s VAL 62 Cb -0.09 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 3mjh s VAL 62 CO 0.08 0.53 0.48 0.00 0.00 0.00 0.00 175.10 176.19 3mjh n LEU 64 N 5.67 0.00 0.12 0.00 4.77 0.23 -5.02 117.00 122.77 3mjh n LEU 64 Ca -0.06 -0.65 -0.14 0.00 -0.03 0.00 0.00 56.01 55.14 3mjh n LEU 64 Cb 0.49 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 3mjh n LEU 64 CO 0.44 -0.60 0.77 0.44 -1.33 0.00 0.00 177.39 177.11 3mjh h ASP 65 N -0.07 -0.21 0.00 -1.43 3.32 -2.03 -3.36 116.42 112.64 3mjh h ASP 65 Ca -0.08 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3mjh h ASP 65 Cb 0.35 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3mjh h ASP 65 CO 0.10 -0.08 0.00 0.47 -1.72 0.00 0.00 179.24 178.01 3mjh n ASP 66 N -5.16 1.05 -4.03 6.45 8.00 -1.26 -5.03 116.55 116.58 3mjh n ASP 66 Ca -0.09 -1.22 -0.14 0.00 0.71 0.00 0.00 54.79 54.05 3mjh n ASP 66 Cb 0.15 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.12 3mjh n ASP 66 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mjh s THR 67 N -0.22 0.49 -0.22 -3.53 2.01 -1.26 -2.69 115.64 110.23 3mjh s THR 67 Ca 0.00 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 3mjh s THR 67 Cb 0.00 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 3mjh s THR 67 CO 0.00 -0.22 0.01 -0.89 -0.69 0.00 0.00 174.62 172.84 3mjh s THR 68 N -0.96 3.98 -0.24 -0.82 2.01 -0.55 -0.60 115.64 118.46 3mjh s THR 68 Ca -0.06 -0.30 -0.09 0.00 0.31 0.00 0.00 61.69 61.55 3mjh s THR 68 Cb -0.07 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 3mjh s THR 68 CO 0.00 0.40 0.13 -0.69 -0.69 0.00 0.00 174.62 173.78 3mjh s VAL 69 N 1.22 5.06 -0.19 3.82 1.01 -0.11 -1.28 120.40 129.92 3mjh s VAL 69 Ca 0.04 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 3mjh s VAL 69 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3mjh s VAL 69 CO 0.01 0.35 0.06 -0.75 0.00 0.00 0.00 175.10 174.77 3mjh s LYS 70 N 1.14 3.88 -0.21 2.72 2.20 0.81 -0.12 119.74 130.17 3mjh s LYS 70 Ca 0.06 -0.39 -0.10 0.00 -0.36 0.00 0.00 55.97 55.18 3mjh s LYS 70 Cb -0.14 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 3mjh s LYS 70 CO 0.05 0.17 0.15 -0.06 -0.36 0.00 0.00 175.35 175.30 3mjh s PHE 71 N 0.64 3.39 -0.49 4.03 0.08 -0.18 -0.43 117.98 125.01 3mjh s PHE 71 Ca 0.03 0.32 -0.18 0.00 0.12 0.00 0.00 56.93 57.21 3mjh s PHE 71 Cb -0.13 -2.20 0.06 0.00 -0.57 0.00 0.00 43.02 40.17 3mjh s PHE 71 CO 0.02 0.22 0.55 -1.21 -0.10 0.00 0.00 175.22 174.70 3mjh s GLU 72 N 0.57 3.09 -0.25 0.44 0.41 0.71 -2.88 118.70 120.79 3mjh s GLU 72 Ca 0.08 -0.97 -0.11 0.00 -0.41 0.00 0.00 54.97 53.57 3mjh s GLU 72 Cb -0.12 -4.09 -0.05 0.00 -1.78 0.00 0.00 34.13 28.10 3mjh s GLU 72 CO 0.00 -1.13 0.17 0.42 -0.49 0.00 0.00 175.26 174.24 3mjh s ILE 73 N 2.34 5.34 -0.34 -1.63 1.01 0.59 -0.29 121.20 128.22 3mjh s ILE 73 Ca 0.12 0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.89 3mjh s ILE 73 Cb -0.20 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 38.80 3mjh s ILE 73 CO 0.11 0.31 0.11 0.26 0.00 0.00 0.00 174.94 175.73 3mjh s TRP 74 N 1.32 3.26 -0.59 3.97 0.52 0.74 -2.00 118.94 126.17 3mjh s TRP 74 Ca 0.07 -1.47 -0.14 0.00 0.02 0.00 0.00 56.10 54.59 3mjh s TRP 74 Cb -0.14 -2.31 0.15 0.00 -1.15 0.00 0.00 33.47 30.01 3mjh s TRP 74 CO 0.07 -0.74 0.53 0.34 0.02 0.00 0.00 176.95 177.16 3mjh s ASP 75 N 1.43 6.20 0.55 2.95 2.15 0.04 -1.43 116.67 128.57 3mjh s ASP 75 Ca -0.01 -2.02 -0.13 0.00 0.43 0.00 0.00 52.55 50.81 3mjh s ASP 75 Cb -0.20 -2.17 -0.06 0.00 -0.30 0.00 0.00 42.92 40.20 3mjh s ASP 75 CO 0.02 -0.76 0.98 0.42 -0.17 0.00 0.00 175.17 175.67 3mjh s THR 76 N 1.22 4.65 0.10 1.71 -4.23 -1.22 -0.54 115.64 117.33 3mjh s THR 76 Ca 0.07 0.98 -0.30 0.00 -1.18 0.00 0.00 61.69 61.25 3mjh s THR 76 Cb -0.25 -3.80 -0.06 0.00 1.34 0.00 0.00 72.50 69.73 3mjh s THR 76 CO -0.00 -0.90 1.14 0.00 -0.54 0.00 0.00 174.62 174.32 3mjh s ALA 77 N -2.87 3.36 -0.40 3.99 0.00 0.20 -4.91 121.76 121.13 3mjh s ALA 77 Ca 0.56 0.81 0.23 0.00 0.00 0.00 0.00 51.96 53.56 3mjh s ALA 77 Cb -0.10 -3.40 0.25 0.00 0.00 0.00 0.00 23.12 19.87 3mjh s ALA 77 CO 0.42 -0.33 1.43 0.78 0.00 0.00 0.00 175.76 178.06 3mjh h GLY 78 N 6.12 0.00 -5.03 0.00 0.00 -1.84 -3.46 103.07 98.86 3mjh h GLY 78 Ca -0.43 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.24 3mjh h GLY 78 CO 0.77 0.00 0.04 -0.10 0.00 0.00 0.00 176.54 177.25 3mjh n LEU 79 N -2.89 0.80 0.04 3.11 0.00 -1.26 -4.04 117.00 112.75 3mjh n LEU 79 Ca 0.03 1.15 0.05 0.00 0.00 0.00 0.00 56.01 57.23 3mjh n LEU 79 Cb 0.53 -1.14 0.46 0.00 0.00 0.00 0.00 43.42 43.27 3mjh n LEU 79 CO 0.36 -1.76 1.15 -0.08 0.00 0.00 0.00 177.39 177.06 3mjh h GLU 80 N 2.54 0.46 0.00 1.96 4.57 -1.99 -1.94 114.58 120.18 3mjh h GLU 80 Ca -0.40 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3mjh h GLU 80 Cb 1.37 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3mjh h GLU 80 CO 0.65 0.30 0.13 0.07 -1.18 0.00 0.00 179.01 178.98 3mjh h ARG 81 N 0.47 0.00 -0.42 1.92 0.11 -1.97 0.42 114.38 114.91 3mjh h ARG 81 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 3mjh h ARG 81 Cb -0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.04 3mjh h ARG 81 CO -0.03 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.70 3mjh n TYR 82 N -2.85 0.54 -0.21 4.08 4.01 -0.73 -4.66 117.16 117.34 3mjh n TYR 82 Ca -0.02 -0.28 -0.03 0.00 -0.16 0.00 0.00 57.90 57.41 3mjh n TYR 82 Cb 0.18 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.29 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 4.40 0.64 0.00 -0.72 2.76 -0.99 -2.03 115.15 119.21 3mjh h HIS 83 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3mjh h HIS 83 Cb 0.98 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.74 3mjh h HIS 83 CO 0.27 0.32 0.00 0.66 -1.30 0.00 0.00 177.93 177.88 3mjh h SER 84 N 0.66 0.00 1.91 3.26 4.64 -1.83 -1.84 113.55 120.36 3mjh h SER 84 Ca 0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 3mjh h SER 84 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3mjh h SER 84 CO -0.16 0.00 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.69 3mjh h LEU 85 N 0.00 0.00 -0.86 5.97 3.38 -1.71 -3.40 115.31 118.69 3mjh h LEU 85 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3mjh h LEU 85 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3mjh h LEU 85 CO 0.00 0.04 0.45 0.00 0.09 0.00 0.00 178.44 179.02 3mjh h ALA 86 N 1.96 1.11 -0.47 1.53 0.00 -1.41 -2.20 119.26 119.77 3mjh h ALA 86 Ca -0.00 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.90 3mjh h ALA 86 Cb 1.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3mjh h ALA 86 CO 0.01 0.64 0.34 -1.35 0.00 0.00 0.00 179.25 178.89 3mjh h PRO 87 N 1.21 0.00 -0.88 0.00 0.11 -1.78 0.13 132.00 130.79 3mjh h PRO 87 Ca 0.30 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 3mjh h PRO 87 Cb 0.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 3mjh h PRO 87 CO -0.04 0.00 0.45 0.52 -0.21 0.00 0.00 178.00 178.72 3mjh h MET 88 N 0.00 1.25 0.02 1.05 2.86 -1.68 -0.02 114.93 118.40 3mjh h MET 88 Ca 0.22 -0.17 -0.24 0.00 -2.06 0.00 0.00 59.70 57.45 3mjh h MET 88 Cb 0.91 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 3mjh h MET 88 CO -0.00 0.93 -1.24 1.88 1.06 0.00 0.00 176.91 179.54 3mjh h TYR 89 N 1.24 0.06 0.00 -0.22 0.05 -0.94 -3.37 116.97 113.80 3mjh h TYR 89 Ca 0.31 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.98 3mjh h TYR 89 Cb 0.08 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3mjh h TYR 89 CO 0.01 1.05 -1.12 0.10 -1.05 0.00 0.00 178.16 177.15 3mjh h TYR 90 N 0.01 0.00 -2.94 4.88 -0.00 -0.86 -3.41 116.97 114.66 3mjh h TYR 90 Ca -0.11 0.00 -0.54 0.00 0.00 0.00 0.00 58.73 58.08 3mjh h TYR 90 Cb 1.86 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.59 3mjh h TYR 90 CO 0.01 0.21 0.81 0.50 -0.00 0.00 0.00 178.16 179.68 3mjh s ARG 91 N -3.20 4.29 0.00 0.10 3.52 -0.03 -2.04 118.95 121.59 3mjh s ARG 91 Ca -0.01 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.54 3mjh s ARG 91 Cb 0.09 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3mjh s ARG 91 CO 0.79 -0.55 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 3mjh n GLY 92 N 3.60 2.02 3.68 8.12 0.00 -1.26 -4.93 105.19 116.42 3mjh n GLY 92 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.33 3.56 -0.10 4.61 0.00 -0.87 -4.75 121.76 121.88 3mjh s ALA 93 Ca 0.00 0.70 0.30 0.00 0.00 0.00 0.00 51.96 52.96 3mjh s ALA 93 Cb 0.00 -3.58 1.13 0.00 0.00 0.00 0.00 23.12 20.68 3mjh s ALA 93 CO 0.00 -0.93 1.88 1.96 0.00 0.00 0.00 175.76 178.67 3mjh h GLN 94 N 7.85 0.00 -3.43 0.00 7.50 -1.58 -3.45 115.11 122.01 3mjh h GLN 94 Ca -0.34 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 58.63 3mjh h GLN 94 Cb 1.16 0.00 -0.25 0.00 0.05 0.00 0.00 27.48 28.44 3mjh h GLN 94 CO 0.91 0.00 -0.53 0.00 -1.50 0.00 0.00 178.83 177.71 3mjh s ALA 95 N -3.53 -0.34 -0.01 3.87 0.00 -1.15 -1.40 121.76 119.19 3mjh s ALA 95 Ca 0.03 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.28 3mjh s ALA 95 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3mjh s ALA 95 CO 0.54 -0.11 -0.16 0.00 0.00 0.00 0.00 175.76 176.03 3mjh s ALA 96 N -0.37 1.36 -0.28 0.00 0.00 0.47 -1.94 121.76 121.00 3mjh s ALA 96 Ca -0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 3mjh s ALA 96 Cb -0.03 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.77 3mjh s ALA 96 CO 0.01 0.33 -0.01 0.42 0.00 0.00 0.00 175.76 176.51 3mjh s ILE 97 N -0.36 3.17 -0.16 0.00 1.01 0.15 -0.21 121.20 124.80 3mjh s ILE 97 Ca 0.06 -1.07 -0.17 0.00 0.00 0.00 0.00 60.65 59.47 3mjh s ILE 97 Cb -0.07 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 3mjh s ILE 97 CO -0.00 0.07 0.44 -0.69 0.00 0.00 0.00 174.94 174.75 3mjh s VAL 98 N 1.34 5.19 -0.07 2.92 1.01 0.68 -1.11 120.40 130.36 3mjh s VAL 98 Ca -0.01 0.83 0.03 0.00 0.00 0.00 0.00 61.98 62.83 3mjh s VAL 98 Cb -0.18 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3mjh s VAL 98 CO -0.02 0.28 -0.15 -0.69 0.00 0.00 0.00 175.10 174.53 3mjh s VAL 99 N 1.00 2.97 0.37 2.92 1.01 0.48 -0.44 120.40 128.72 3mjh s VAL 99 Ca 0.22 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3mjh s VAL 99 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3mjh s VAL 99 CO 0.09 0.57 0.08 -0.72 0.00 0.00 0.00 175.10 175.12 3mjh s TYR 100 N -0.44 1.88 -0.21 5.22 1.13 -0.09 -4.25 117.35 120.59 3mjh s TYR 100 Ca 0.05 -1.10 -0.07 0.00 -1.41 0.00 0.00 57.07 54.55 3mjh s TYR 100 Cb -0.12 -1.25 -0.03 0.00 -1.10 0.00 0.00 41.96 39.45 3mjh s TYR 100 CO 0.02 -0.11 0.05 0.34 -2.51 0.00 0.00 175.55 173.34 3mjh s ASP 101 N -3.57 5.26 0.35 -0.18 -1.08 -1.26 -0.45 116.67 115.74 3mjh s ASP 101 Ca 0.29 -0.09 0.27 0.00 -0.52 0.00 0.00 52.55 52.49 3mjh s ASP 101 Cb 0.06 -1.92 1.13 0.00 -1.46 0.00 0.00 42.92 40.73 3mjh s ASP 101 CO 0.14 0.07 1.80 0.16 0.52 0.00 0.00 175.17 177.86 3mjh h ILE 102 N 5.25 0.00 -0.13 4.11 3.07 -1.58 -2.00 117.51 126.23 3mjh h ILE 102 Ca -0.36 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 65.76 3mjh h ILE 102 Cb 1.18 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 3mjh h ILE 102 CO 0.63 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.08 3mjh n THR 103 N -2.49 0.16 -3.73 0.16 -2.24 -1.26 -0.29 114.28 104.59 3mjh n THR 103 Ca 0.01 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.09 3mjh n THR 103 Cb 0.24 0.74 -0.16 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.77 3.53 0.30 3.42 3.84 -0.75 -4.48 114.94 119.03 3mjh s ASN 104 Ca 0.34 -1.25 0.06 0.00 0.21 0.00 0.00 52.86 52.22 3mjh s ASN 104 Cb 0.20 -0.72 0.48 0.00 -0.55 0.00 0.00 41.25 40.66 3mjh s ASN 104 CO 0.30 -0.36 1.73 -0.08 -2.79 0.00 0.00 177.10 175.90 3mjh h GLU 105 N 8.17 0.29 -0.16 0.43 4.22 -1.85 -2.53 114.58 123.16 3mjh h GLU 105 Ca -0.15 -0.12 -0.09 0.00 0.08 0.00 0.00 59.36 59.08 3mjh h GLU 105 Cb 1.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3mjh h GLU 105 CO 0.41 0.60 -0.28 1.49 -2.18 0.00 0.00 179.01 179.05 3mjh h GLU 106 N 0.25 0.30 -0.07 1.92 4.22 -1.94 -0.66 114.58 118.61 3mjh h GLU 106 Ca 0.03 -0.11 -0.00 0.00 0.08 0.00 0.00 59.36 59.35 3mjh h GLU 106 Cb 0.73 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3mjh h GLU 106 CO 0.06 0.57 0.02 0.66 -2.18 0.00 0.00 179.01 178.13 3mjh h SER 107 N 0.27 0.09 -0.16 1.04 4.64 -1.77 0.94 113.55 118.59 3mjh h SER 107 Ca 0.04 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 3mjh h SER 107 Cb 0.64 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3mjh h SER 107 CO 0.05 0.09 -0.39 0.15 -0.87 0.00 0.00 176.83 175.85 3mjh h PHE 108 N 0.10 0.71 -0.62 4.77 3.57 -0.98 -1.85 116.94 122.64 3mjh h PHE 108 Ca 0.03 -0.27 0.03 0.00 3.53 0.00 0.00 57.97 61.29 3mjh h PHE 108 Cb 0.03 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 3mjh h PHE 108 CO 0.00 1.02 0.37 0.00 -2.23 0.00 0.00 178.31 177.47 3mjh h ALA 109 N 0.56 0.80 -0.55 2.41 0.00 -0.60 -2.32 119.26 119.56 3mjh h ALA 109 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3mjh h ALA 109 Cb 1.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3mjh h ALA 109 CO 0.09 0.09 0.37 -0.09 0.00 0.00 0.00 179.25 179.71 3mjh h ARG 110 N 0.72 0.73 -0.88 0.00 9.65 -0.77 -2.51 114.38 121.32 3mjh h ARG 110 Ca 0.25 -0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.22 3mjh h ARG 110 Cb 0.06 -0.16 -0.09 0.00 -1.39 0.00 0.00 29.97 28.39 3mjh h ARG 110 CO -0.12 0.48 0.49 0.00 2.80 0.00 0.00 179.97 183.63 3mjh h ALA 111 N 1.20 1.31 -0.21 2.80 0.00 -0.99 -0.49 119.26 122.89 3mjh h ALA 111 Ca 0.20 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3mjh h ALA 111 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3mjh h ALA 111 CO -0.04 0.03 -0.02 0.87 0.00 0.00 0.00 179.25 180.08 3mjh h LYS 112 N 0.75 0.30 -0.04 0.00 1.57 -1.00 -1.50 116.57 116.66 3mjh h LYS 112 Ca 0.45 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 59.03 3mjh h LYS 112 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3mjh h LYS 112 CO -0.31 0.35 -0.68 -0.91 -0.57 0.00 0.00 179.45 177.34 3mjh h ASN 113 N 0.30 0.23 -0.46 0.86 2.35 -0.82 -2.47 115.58 115.57 3mjh h ASN 113 Ca 0.07 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3mjh h ASN 113 Cb 0.24 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3mjh h ASN 113 CO 0.01 0.83 0.18 -0.50 -1.65 0.00 0.00 177.43 176.30 3mjh h TRP 114 N 0.14 0.70 0.31 1.19 4.06 -0.73 -2.07 115.95 119.55 3mjh h TRP 114 Ca -0.01 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 3mjh h TRP 114 Cb 1.21 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 3mjh h TRP 114 CO 0.02 0.60 -0.22 0.28 -3.56 0.00 0.00 178.44 175.56 3mjh h VAL 115 N 0.60 0.54 -0.78 1.49 2.07 -1.26 -0.80 116.25 118.11 3mjh h VAL 115 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 3mjh h VAL 115 Cb 0.20 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3mjh h VAL 115 CO -0.01 0.00 0.43 0.50 0.02 0.00 0.00 177.57 178.51 3mjh h LYS 116 N -0.52 0.72 -0.35 1.57 1.63 -1.43 0.21 116.57 118.40 3mjh h LYS 116 Ca -0.02 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3mjh h LYS 116 Cb 0.45 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 3mjh h LYS 116 CO 0.01 0.48 0.14 1.49 -3.45 0.00 0.00 179.45 178.11 3mjh h GLU 117 N 0.74 0.29 -0.76 1.90 4.81 -1.05 0.10 114.58 120.61 3mjh h GLU 117 Ca 0.37 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3mjh h GLU 117 Cb 0.33 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 3mjh h GLU 117 CO -0.24 0.19 0.47 -0.07 -0.73 0.00 0.00 179.01 178.64 3mjh h LEU 118 N 0.30 0.90 -0.73 1.64 3.38 -0.01 -2.36 115.31 118.43 3mjh h LEU 118 Ca 0.15 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 3mjh h LEU 118 Cb 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3mjh h LEU 118 CO -0.14 0.69 -0.01 1.56 0.09 0.00 0.00 178.44 180.63 3mjh h GLN 119 N 1.04 0.96 0.00 1.13 4.20 -0.20 -2.52 115.11 119.72 3mjh h GLN 119 Ca 0.28 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3mjh h GLN 119 Cb -0.06 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3mjh h GLN 119 CO -0.05 0.95 0.00 0.00 -0.67 0.00 0.00 178.83 179.06 3mjh h ARG 120 N 0.88 0.00 -0.21 1.46 3.08 -0.63 -3.39 114.38 115.57 3mjh h ARG 120 Ca 0.16 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.02 3mjh h ARG 120 Cb 0.53 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.44 3mjh h ARG 120 CO 0.03 0.00 -0.44 0.00 -1.07 0.00 0.00 179.97 178.48 3mjh n GLN 121 N -3.01 0.66 -3.30 0.04 10.64 -0.90 -5.07 117.38 116.43 3mjh n GLN 121 Ca 0.01 -1.68 -0.00 0.00 -1.83 0.00 0.00 57.00 53.50 3mjh n GLN 121 Cb 0.33 -1.33 0.01 0.00 -0.86 0.00 0.00 30.24 28.40 3mjh n GLN 121 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3mjh n ALA 122 N 1.92 -2.26 -1.90 2.61 0.00 -0.97 -4.77 120.51 115.14 3mjh n ALA 122 Ca 0.10 -0.68 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 3mjh n ALA 122 Cb 0.62 0.28 -0.03 0.00 0.00 0.00 0.00 19.45 20.33 3mjh n ALA 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mjh s SER 123 N -2.91 6.87 0.24 0.00 0.15 -1.26 -4.88 113.70 111.92 3mjh s SER 123 Ca 0.19 2.49 -0.07 0.00 0.70 0.00 0.00 55.95 59.27 3mjh s SER 123 Cb -0.01 -2.62 0.25 0.00 -1.71 0.00 0.00 66.02 61.93 3mjh s SER 123 CO 0.02 -0.51 1.91 -0.65 1.20 0.00 0.00 173.24 175.22 3mjh h PRO 124 N 4.65 1.24 -0.40 5.44 0.11 -1.95 -2.99 132.00 138.09 3mjh h PRO 124 Ca -0.46 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 3mjh h PRO 124 Cb 1.22 -0.28 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3mjh h PRO 124 CO 0.73 0.82 0.00 0.09 -0.21 0.00 0.00 178.00 179.43 3mjh n ASN 125 N -4.43 4.70 -4.51 -2.05 3.02 -1.26 -4.97 115.26 105.75 3mjh n ASN 125 Ca 0.11 -2.99 -0.35 0.00 -0.03 0.00 0.00 54.58 51.32 3mjh n ASN 125 Cb 0.03 -0.61 0.09 0.00 -0.61 0.00 0.00 39.78 38.68 3mjh n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mjh n ILE 126 N -0.02 1.57 -3.36 2.41 3.06 -1.13 -4.98 119.36 116.90 3mjh n ILE 126 Ca 0.24 -0.32 -0.38 0.00 -2.50 0.00 0.00 62.75 59.79 3mjh n ILE 126 Cb 1.04 -0.84 -0.07 0.00 0.54 0.00 0.00 39.64 40.30 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 -2.04 5.18 -0.28 9.51 1.01 -0.49 -4.99 120.40 128.29 3mjh s VAL 127 Ca 0.66 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 63.34 3mjh s VAL 127 Cb -0.31 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3mjh s VAL 127 CO 0.58 0.24 0.05 -0.63 0.00 0.00 0.00 175.10 175.33 3mjh s ILE 128 N 1.37 3.81 0.04 2.22 1.01 -1.26 -0.40 121.20 127.99 3mjh s ILE 128 Ca 0.20 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3mjh s ILE 128 Cb -0.15 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3mjh s ILE 128 CO 0.08 0.15 0.14 0.00 0.00 0.00 0.00 174.94 175.32 3mjh s ALA 129 N 1.49 3.78 -0.14 9.38 0.00 0.71 -1.28 121.76 135.70 3mjh s ALA 129 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3mjh s ALA 129 Cb -0.17 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.31 3mjh s ALA 129 CO 0.01 0.76 -0.16 -1.17 0.00 0.00 0.00 175.76 175.21 3mjh s LEU 130 N -2.22 1.76 -0.25 0.00 2.96 0.83 -0.23 118.68 121.53 3mjh s LEU 130 Ca 0.30 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 3mjh s LEU 130 Cb -0.12 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 3mjh s LEU 130 CO 0.22 -0.02 0.06 -0.55 -1.32 0.00 0.00 176.35 174.74 3mjh s SER 131 N 1.25 5.07 -0.87 3.68 0.15 0.41 -1.90 113.70 121.51 3mjh s SER 131 Ca 0.00 -0.22 -0.16 0.00 0.70 0.00 0.00 55.95 56.27 3mjh s SER 131 Cb -0.14 -1.91 0.18 0.00 -1.71 0.00 0.00 66.02 62.44 3mjh s SER 131 CO -0.07 -0.03 0.93 -0.83 1.20 0.00 0.00 173.24 174.44 3mjh s GLY 132 N 1.58 2.31 0.65 9.45 0.00 -0.47 -0.91 107.32 119.93 3mjh s GLY 132 Ca 0.06 -3.05 -0.04 0.00 0.00 0.00 0.00 44.72 41.70 3mjh s GLY 132 CO 0.03 1.60 0.93 0.21 0.00 0.00 0.00 173.10 175.87 3mjh s ASN 133 N 2.86 5.01 -1.30 1.64 2.47 0.41 -0.58 114.94 125.45 3mjh s ASN 133 Ca 0.24 0.31 0.00 0.00 0.42 0.00 0.00 52.86 53.83 3mjh s ASN 133 Cb -0.08 -1.06 0.00 0.00 -1.45 0.00 0.00 41.25 38.66 3mjh s ASN 133 CO -0.09 -1.41 0.00 0.29 -3.72 0.00 0.00 177.10 172.17 3mjh n LYS 134 N -2.70 -1.08 0.00 0.43 5.02 -0.87 -1.56 118.16 117.40 3mjh n LYS 134 Ca 0.08 0.78 0.02 0.00 -2.02 0.00 0.00 58.31 57.17 3mjh n LYS 134 Cb 0.60 -5.01 0.10 0.00 -0.02 0.00 0.00 35.03 30.71 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 -0.79 1.22 0.41 7.82 0.00 -0.39 -0.68 120.51 128.10 3mjh n ALA 135 Ca -0.16 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.39 3mjh n ALA 135 Cb 0.58 -1.08 0.49 0.00 0.00 0.00 0.00 19.45 19.44 3mjh n ALA 135 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mjh n ASP 136 N -1.50 0.70 -2.83 0.00 5.75 -1.26 -3.53 116.55 113.87 3mjh n ASP 136 Ca 0.01 0.66 -0.36 0.00 -0.01 0.00 0.00 54.79 55.09 3mjh n ASP 136 Cb 0.06 -0.81 0.01 0.00 -1.03 0.00 0.00 41.12 39.34 3mjh n ASP 136 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3mjh n LEU 137 N -2.26 7.23 -0.36 -2.12 4.77 0.14 -4.65 117.00 119.75 3mjh n LEU 137 Ca 0.02 -4.64 0.07 0.00 -0.03 0.00 0.00 56.01 51.44 3mjh n LEU 137 Cb 0.25 -1.13 0.24 0.00 -2.33 0.00 0.00 43.42 40.45 3mjh n LEU 137 CO 0.21 1.77 1.23 0.00 -1.33 0.00 0.00 177.39 179.26 3mjh h ALA 138 N 3.08 1.50 -0.91 -1.18 0.00 -1.79 0.81 119.26 120.76 3mjh h ALA 138 Ca 0.52 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.62 3mjh h ALA 138 Cb 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3mjh h ALA 138 CO 1.26 0.22 0.59 -2.95 0.00 0.00 0.00 179.25 178.37 3mjh h ASN 139 N 0.98 0.60 -0.65 0.00 7.08 -1.92 -1.73 115.58 119.95 3mjh h ASN 139 Ca 0.49 0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.76 3mjh h ASN 139 Cb 0.49 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.66 3mjh h ASN 139 CO -0.27 0.27 0.00 0.29 -2.08 0.00 0.00 177.43 175.65 3mjh n LYS 140 N -4.58 3.24 -1.65 4.14 5.02 0.26 -5.00 118.16 119.60 3mjh n LYS 140 Ca 0.19 -2.64 -0.54 0.00 -2.02 0.00 0.00 58.31 53.30 3mjh n LYS 140 Cb 0.55 -1.75 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.24 1.26 -0.03 1.97 0.63 -0.65 -4.40 116.66 116.68 3mjh n ARG 141 Ca 0.24 0.46 -0.04 0.00 -0.92 0.00 0.00 57.85 57.59 3mjh n ARG 141 Cb 0.76 -2.14 -0.05 0.00 0.45 0.00 0.00 32.46 31.48 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 4.07 1.84 -3.01 5.13 0.00 0.60 -4.94 120.51 124.20 3mjh n ALA 142 Ca 0.22 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 3mjh n ALA 142 Cb 0.17 0.17 -0.12 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 -2.16 4.41 0.34 0.00 1.01 -0.15 -4.83 120.40 119.01 3mjh s VAL 143 Ca -0.05 -0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 3mjh s VAL 143 Cb 0.02 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 3mjh s VAL 143 CO 0.24 0.32 1.27 -1.81 0.00 0.00 0.00 175.10 175.12 3mjh s ASP 144 N 1.63 6.76 0.28 3.32 1.01 -1.26 -4.93 116.67 123.47 3mjh s ASP 144 Ca 0.06 2.61 -0.00 0.00 0.71 0.00 0.00 52.55 55.93 3mjh s ASP 144 Cb -0.15 -2.64 0.50 0.00 1.01 0.00 0.00 42.92 41.63 3mjh s ASP 144 CO 0.04 -0.54 1.85 0.15 0.21 0.00 0.00 175.17 176.89 3mjh h PHE 145 N 3.29 1.16 -0.05 4.23 3.57 -1.99 -2.34 116.94 124.81 3mjh h PHE 145 Ca -0.49 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 60.84 3mjh h PHE 145 Cb 1.23 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 3mjh h PHE 145 CO 0.56 0.51 -0.81 0.37 -2.23 0.00 0.00 178.31 176.71 3mjh h GLN 146 N 1.06 0.42 -0.83 1.11 5.75 -1.99 -0.34 115.11 120.30 3mjh h GLN 146 Ca 0.47 -0.38 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3mjh h GLN 146 Cb 0.37 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.97 3mjh h GLN 146 CO -0.23 1.03 0.52 1.49 -2.65 0.00 0.00 178.83 178.99 3mjh h GLU 147 N 0.27 1.11 -0.19 1.69 4.81 -1.93 -1.82 114.58 118.53 3mjh h GLU 147 Ca -0.05 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 58.94 3mjh h GLU 147 Cb 1.41 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3mjh h GLU 147 CO 0.14 0.76 -0.48 0.00 -0.73 0.00 0.00 179.01 178.69 3mjh h ALA 148 N 1.28 0.32 -0.41 2.92 0.00 -1.27 -2.61 119.26 119.49 3mjh h ALA 148 Ca 0.30 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3mjh h ALA 148 Cb -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3mjh h ALA 148 CO -0.06 0.48 -0.03 0.37 0.00 0.00 0.00 179.25 180.01 3mjh h GLN 149 N 0.36 0.74 -0.72 0.00 5.75 -1.01 0.05 115.11 120.28 3mjh h GLN 149 Ca -0.01 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.21 3mjh h GLN 149 Cb 1.10 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 3mjh h GLN 149 CO 0.11 0.84 0.33 1.03 -2.65 0.00 0.00 178.83 178.49 3mjh h SER 150 N 0.57 0.94 -0.09 -0.69 0.87 -1.39 0.77 113.55 114.52 3mjh h SER 150 Ca 0.11 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3mjh h SER 150 Cb 0.53 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3mjh h SER 150 CO 0.03 0.81 0.02 0.22 -0.53 0.00 0.00 176.83 177.38 3mjh h TYR 151 N 1.03 0.16 -0.44 2.24 3.20 -1.25 -1.00 116.97 120.92 3mjh h TYR 151 Ca 0.25 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.17 3mjh h TYR 151 Cb 0.13 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 3mjh h TYR 151 CO 0.01 0.35 0.09 0.00 -1.64 0.00 0.00 178.16 176.98 3mjh h ALA 152 N 0.79 0.48 -0.57 1.82 0.00 -0.47 -1.82 119.26 119.50 3mjh h ALA 152 Ca 0.03 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3mjh h ALA 152 Cb 0.27 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3mjh h ALA 152 CO 0.00 -0.31 0.33 -0.44 0.00 0.00 0.00 179.25 178.83 3mjh h ASP 153 N 0.22 0.69 -0.19 0.00 3.32 -0.79 0.26 116.42 119.93 3mjh h ASP 153 Ca 0.21 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.23 3mjh h ASP 153 Cb 0.27 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3mjh h ASP 153 CO -0.28 0.57 0.13 0.44 -1.72 0.00 0.00 179.24 178.39 3mjh h ASP 154 N 0.76 0.07 -0.28 6.45 5.19 -0.58 -2.73 116.42 125.30 3mjh h ASP 154 Ca 0.20 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3mjh h ASP 154 Cb 0.02 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3mjh h ASP 154 CO -0.03 0.05 0.00 0.59 -3.12 0.00 0.00 179.24 176.72 3mjh n ASN 155 N -4.49 3.21 -3.80 6.45 3.02 -0.74 -4.98 115.26 113.93 3mjh n ASN 155 Ca 0.01 -2.42 -0.23 0.00 -0.03 0.00 0.00 54.58 51.91 3mjh n ASN 155 Cb 0.22 -0.34 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.01 -1.30 -4.85 6.41 7.64 -0.08 -4.99 113.62 116.45 3mjh n SER 156 Ca 0.15 -0.87 -0.33 0.00 1.01 0.00 0.00 58.87 58.83 3mjh n SER 156 Cb 0.60 -3.76 -0.06 0.00 -1.01 0.00 0.00 64.21 59.99 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 -6.82 4.16 -0.59 -3.43 1.43 0.70 -4.77 118.68 109.38 3mjh s LEU 157 Ca 0.08 0.25 -0.23 0.00 -1.03 0.00 0.00 54.13 53.20 3mjh s LEU 157 Cb -0.04 -2.49 0.05 0.00 0.03 0.00 0.00 46.19 43.74 3mjh s LEU 157 CO 0.84 0.26 0.93 -0.22 0.23 0.00 0.00 176.35 178.38 3mjh s LEU 158 N -1.90 4.26 -0.09 1.79 0.20 -0.40 -4.56 118.68 117.98 3mjh s LEU 158 Ca 0.26 -0.62 -0.01 0.00 0.69 0.00 0.00 54.13 54.45 3mjh s LEU 158 Cb -0.12 -2.65 -0.03 0.00 -0.43 0.00 0.00 46.19 42.96 3mjh s LEU 158 CO 0.17 -1.28 -0.05 0.12 -0.29 0.00 0.00 176.35 175.02 3mjh s PHE 159 N 3.90 2.99 -0.01 5.38 5.36 -1.26 -0.12 117.98 134.21 3mjh s PHE 159 Ca 0.26 -0.02 -0.11 0.00 -0.96 0.00 0.00 56.93 56.09 3mjh s PHE 159 Cb -0.15 -1.78 0.01 0.00 -0.34 0.00 0.00 43.02 40.77 3mjh s PHE 159 CO 0.15 0.27 0.24 -1.64 -1.46 0.00 0.00 175.22 172.78 3mjh s MET 160 N -0.57 0.57 0.10 10.12 -1.94 -0.80 -4.96 119.30 121.82 3mjh s MET 160 Ca 0.09 -0.23 -0.21 0.00 -1.71 0.00 0.00 55.69 53.62 3mjh s MET 160 Cb -0.12 0.25 -0.07 0.00 2.01 0.00 0.00 34.83 36.90 3mjh s MET 160 CO 0.02 -0.15 0.64 -1.21 -0.01 0.00 0.00 175.02 174.31 3mjh s GLU 161 N -1.24 4.33 0.16 2.03 2.02 -1.26 -1.37 118.70 123.36 3mjh s GLU 161 Ca -0.13 0.88 0.03 0.00 0.02 0.00 0.00 54.97 55.77 3mjh s GLU 161 Cb -0.06 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.87 3mjh s GLU 161 CO 0.03 0.60 -0.05 0.95 0.02 0.00 0.00 175.26 176.81 3mjh s THR 162 N -1.07 0.91 -0.11 3.63 -4.23 0.25 -4.61 115.64 110.40 3mjh s THR 162 Ca 0.31 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 3mjh s THR 162 Cb -0.21 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.71 3mjh s THR 162 CO 0.21 -0.63 0.09 -0.55 -0.54 0.00 0.00 174.62 173.21 3mjh s SER 163 N -3.17 1.69 0.42 3.99 0.15 -0.33 -1.26 113.70 115.20 3mjh s SER 163 Ca 0.20 -0.24 0.12 0.00 0.70 0.00 0.00 55.95 56.73 3mjh s SER 163 Cb 0.05 -0.12 0.92 0.00 -1.71 0.00 0.00 66.02 65.15 3mjh s SER 163 CO 0.02 -0.30 1.97 0.00 1.20 0.00 0.00 173.24 176.12 3mjh h ALA 164 N 8.42 1.63 0.68 5.45 0.00 -1.90 -0.97 119.26 132.56 3mjh h ALA 164 Ca -0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3mjh h ALA 164 Cb 1.14 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.88 3mjh h ALA 164 CO 0.22 0.27 -0.33 -0.22 0.00 0.00 0.00 179.25 179.20 3mjh h LYS 165 N 0.10 -0.88 -0.00 0.00 3.64 -1.94 -3.28 116.57 114.21 3mjh h LYS 165 Ca 0.02 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3mjh h LYS 165 Cb 0.33 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3mjh h LYS 165 CO 0.02 -0.55 -0.40 0.25 -2.27 0.00 0.00 179.45 176.49 3mjh n THR 166 N -5.43 0.00 -2.98 1.00 -2.24 -1.23 -4.95 114.28 98.45 3mjh n THR 166 Ca -0.13 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 3mjh n THR 166 Cb 0.38 0.18 0.06 0.00 -2.10 0.00 0.00 70.33 68.85 3mjh n THR 166 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3mjh n SER 167 N -1.38 -2.39 -4.55 3.42 2.88 -0.46 -5.02 113.62 106.12 3mjh n SER 167 Ca 0.07 -0.44 -0.41 0.00 -1.33 0.00 0.00 58.87 56.76 3mjh n SER 167 Cb 0.33 -3.77 -0.09 0.00 -0.75 0.00 0.00 64.21 59.93 3mjh n SER 167 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 3mjh s MET 168 N -4.85 3.59 0.00 -1.46 0.00 -0.66 -4.58 119.30 111.33 3mjh s MET 168 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 55.69 55.35 3mjh s MET 168 Cb -0.00 -3.80 0.00 0.00 0.00 0.00 0.00 34.83 31.03 3mjh s MET 168 CO 0.52 -0.52 0.00 0.09 0.00 0.00 0.00 175.02 175.10 3mjh n ASN 169 N 5.40 -4.30 0.19 1.11 3.02 -1.26 -1.18 115.26 118.24 3mjh n ASN 169 Ca -0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.35 3mjh n ASN 169 Cb 0.49 -2.42 -0.06 0.00 -0.61 0.00 0.00 39.78 37.18 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 0.33 -0.73 2.41 2.07 -1.85 -0.17 116.25 118.31 3mjh h VAL 170 Ca 0.00 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.91 3mjh h VAL 170 Cb 0.58 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3mjh h VAL 170 CO 0.00 0.07 0.48 0.78 0.02 0.00 0.00 177.57 178.93 3mjh h ASN 171 N -1.02 0.78 -0.43 0.57 -0.26 -1.90 -3.01 115.58 110.30 3mjh h ASN 171 Ca -0.06 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.62 3mjh h ASN 171 Cb 0.53 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 3mjh h ASN 171 CO 0.09 0.54 0.05 -0.33 -1.06 0.00 0.00 177.43 176.73 3mjh h GLU 172 N 0.91 0.73 -0.63 0.81 3.07 -1.93 -1.38 114.58 116.16 3mjh h GLU 172 Ca 0.29 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 58.87 3mjh h GLU 172 Cb 0.03 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3mjh h GLU 172 CO -0.08 0.77 0.11 0.97 -1.40 0.00 0.00 179.01 179.38 3mjh h ILE 173 N 0.58 1.26 -0.29 3.13 2.10 -0.89 0.01 117.51 123.42 3mjh h ILE 173 Ca 0.13 -1.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.01 3mjh h ILE 173 Cb 0.41 0.69 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 3mjh h ILE 173 CO 0.01 0.37 -0.05 -0.26 -1.08 0.00 0.00 178.15 177.14 3mjh h PHE 174 N 0.95 0.61 -0.78 2.19 0.04 -1.46 -0.93 116.94 117.55 3mjh h PHE 174 Ca 0.19 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 3mjh h PHE 174 Cb 0.42 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 3mjh h PHE 174 CO 0.03 0.73 0.47 1.98 -0.60 0.00 0.00 178.31 180.92 3mjh h MET 175 N 0.31 1.06 -0.70 1.51 4.05 -1.14 0.88 114.93 120.88 3mjh h MET 175 Ca 0.07 -0.10 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3mjh h MET 175 Cb 0.53 -0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 3mjh h MET 175 CO 0.03 0.75 0.46 0.00 0.23 0.00 0.00 176.91 178.37 3mjh h ALA 176 N 1.25 0.90 -0.29 0.39 0.00 -0.82 -1.02 119.26 119.67 3mjh h ALA 176 Ca 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3mjh h ALA 176 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3mjh h ALA 176 CO -0.05 0.27 0.15 0.82 0.00 0.00 0.00 179.25 180.44 3mjh h ILE 177 N 0.92 1.14 -0.93 0.00 2.04 -0.70 -2.18 117.51 117.79 3mjh h ILE 177 Ca 0.27 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.79 3mjh h ILE 177 Cb -0.06 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3mjh h ILE 177 CO -0.08 0.15 0.61 0.00 0.00 0.00 0.00 178.15 178.82 3mjh h ALA 178 N 1.01 1.47 -0.11 1.87 0.00 -0.39 -2.19 119.26 120.93 3mjh h ALA 178 Ca 0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 3mjh h ALA 178 Cb 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3mjh h ALA 178 CO -0.01 0.39 -0.76 0.87 0.00 0.00 0.00 179.25 179.74 3mjh h LYS 179 N 1.08 0.57 -0.24 0.00 1.57 -1.08 -3.27 116.57 115.21 3mjh h LYS 179 Ca 0.40 -0.47 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 3mjh h LYS 179 Cb 0.17 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3mjh h LYS 179 CO -0.15 1.10 -0.37 -0.22 -0.57 0.00 0.00 179.45 179.24 3mjh h LYS 180 N 0.39 0.53 -6.87 3.15 3.64 -0.94 -3.45 116.57 113.01 3mjh h LYS 180 Ca -0.04 -0.25 -0.52 0.00 -1.27 0.00 0.00 60.65 58.56 3mjh h LYS 180 Cb 1.36 -0.00 0.07 0.00 -0.41 0.00 0.00 32.23 33.24 3mjh h LYS 180 CO 0.14 0.82 0.65 -0.51 -2.27 0.00 0.00 179.45 178.28 3mjh s LEU 181 N -8.54 4.42 0.26 5.20 1.43 -0.87 -4.96 118.68 115.63 3mjh s LEU 181 Ca -0.07 2.70 -0.31 0.00 -1.03 0.00 0.00 54.13 55.42 3mjh s LEU 181 Cb 0.13 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.59 3mjh s LEU 181 CO 0.81 -0.56 1.63 -2.84 0.23 0.00 0.00 176.35 175.62 3mjh s PRO 182 N -1.67 4.13 0.00 1.29 0.02 -1.26 -5.02 135.00 132.50 3mjh s PRO 182 Ca 0.50 2.57 0.06 0.00 0.02 0.00 0.00 61.00 64.14 3mjh s PRO 182 Cb -0.40 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.12 3mjh s PRO 182 CO 0.52 -0.66 0.68 1.63 -0.33 0.00 0.00 177.00 178.84