#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9j s ARG 2 N 0.00 3.35 -0.11 2.12 0.52 -1.26 -1.38 118.95 122.20 1j9j s ARG 2 Ca 0.00 -0.32 -0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1j9j s ARG 2 Cb 0.00 -3.92 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 1j9j s ARG 2 CO 0.00 -0.93 -0.08 0.42 0.02 0.00 0.00 175.30 174.72 1j9j s ILE 3 N 2.73 3.51 -0.22 1.52 1.01 -0.32 -1.08 121.20 128.35 1j9j s ILE 3 Ca 0.22 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 1j9j s ILE 3 Cb -0.14 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 1j9j s ILE 3 CO 0.18 0.55 0.12 -0.22 0.00 0.00 0.00 174.94 175.56 1j9j s LEU 4 N -0.14 3.96 -0.09 2.97 2.96 -0.17 -1.39 118.68 126.79 1j9j s LEU 4 Ca 0.01 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1j9j s LEU 4 Cb -0.13 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1j9j s LEU 4 CO 0.03 0.10 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.24 1j9j s VAL 5 N 0.83 2.20 0.31 1.68 1.01 -0.28 -0.85 120.40 125.31 1j9j s VAL 5 Ca 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1j9j s VAL 5 Cb -0.13 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 1j9j s VAL 5 CO 0.02 0.56 0.38 1.07 0.00 0.00 0.00 175.10 177.13 1j9j n THR 6 N 3.34 0.00 -3.56 3.92 5.66 -0.62 -2.24 114.28 120.77 1j9j n THR 6 Ca -0.18 -1.81 -0.02 0.00 -3.05 0.00 0.00 64.05 58.99 1j9j n THR 6 Cb 0.53 1.03 0.01 0.00 -1.55 0.00 0.00 70.33 70.34 1j9j n THR 6 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1j9j n ASN 7 N -1.73 -0.80 0.00 1.09 6.94 -1.26 -0.61 115.26 118.89 1j9j n ASN 7 Ca 0.03 -1.46 0.00 0.00 -0.02 0.00 0.00 54.58 53.13 1j9j n ASN 7 Cb 0.53 1.31 0.00 0.00 -2.36 0.00 0.00 39.78 39.27 1j9j n ASN 7 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1j9j n ASP 8 N -0.97 0.34 0.19 0.53 3.85 -1.26 -4.52 116.55 114.71 1j9j n ASP 8 Ca -0.02 -0.65 0.12 0.00 -0.71 0.00 0.00 54.79 53.53 1j9j n ASP 8 Cb 0.25 0.47 0.12 0.00 -1.35 0.00 0.00 41.12 40.62 1j9j n ASP 8 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1j9j h ASP 9 N 0.00 0.00 -2.53 -1.12 3.32 -1.90 0.22 116.42 114.41 1j9j h ASP 9 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j9j h ASP 9 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1j9j h ASP 9 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1j9j n GLY 10 N 1.12 3.74 0.26 2.75 0.00 -1.26 -4.19 105.19 107.62 1j9j n GLY 10 Ca 0.03 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.67 1j9j n GLY 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1j9j h ILE 11 N 0.54 0.00 -0.69 -0.61 2.10 -1.31 -1.11 117.51 116.42 1j9j h ILE 11 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1j9j h ILE 11 Cb 0.00 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 36.39 1j9j h ILE 11 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1j9j n GLN 12 N -2.64 2.73 -2.26 2.19 6.02 -1.26 -4.80 117.38 117.35 1j9j n GLN 12 Ca -0.02 -2.60 -0.39 0.00 -0.01 0.00 0.00 57.00 53.98 1j9j n GLN 12 Cb 0.18 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 1j9j n GLN 12 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1j9j s SER 13 N -1.02 6.69 0.45 1.08 0.15 -0.42 -4.92 113.70 115.71 1j9j s SER 13 Ca 0.47 2.44 0.13 0.00 0.70 0.00 0.00 55.95 59.68 1j9j s SER 13 Cb 0.24 -2.63 1.02 0.00 -1.71 0.00 0.00 66.02 62.95 1j9j s SER 13 CO 0.32 -0.56 2.03 0.50 1.20 0.00 0.00 173.24 176.73 1j9j h LYS 14 N 3.01 0.12 -0.74 5.44 3.64 -1.94 -2.50 116.57 123.61 1j9j h LYS 14 Ca -0.48 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 1j9j h LYS 14 Cb 1.23 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1j9j h LYS 14 CO 0.64 0.19 0.23 0.78 -2.27 0.00 0.00 179.45 179.02 1j9j h GLY 15 N 0.42 1.24 1.72 5.01 0.00 -1.92 -1.75 103.07 107.80 1j9j h GLY 15 Ca 0.03 -0.74 -0.25 0.00 0.00 0.00 0.00 47.33 46.37 1j9j h GLY 15 CO 0.01 0.69 -1.19 1.19 0.00 0.00 0.00 176.54 177.24 1j9j h ILE 16 N 1.11 1.54 -0.24 2.60 2.10 -1.63 -2.65 117.51 120.33 1j9j h ILE 16 Ca 0.24 -3.17 -0.03 0.00 1.08 0.00 0.00 64.86 62.98 1j9j h ILE 16 Cb 0.31 2.90 -0.01 0.00 -1.09 0.00 0.00 36.82 38.93 1j9j h ILE 16 CO -0.01 0.91 0.03 0.40 -1.08 0.00 0.00 178.15 178.41 1j9j h ILE 17 N 0.05 1.23 -0.31 2.19 2.04 -1.40 -0.85 117.51 120.46 1j9j h ILE 17 Ca -0.10 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1j9j h ILE 17 Cb 1.91 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 1j9j h ILE 17 CO 0.17 0.25 0.19 0.58 0.00 0.00 0.00 178.15 179.34 1j9j h VAL 18 N 0.21 1.05 -0.45 1.67 2.07 -1.41 -1.17 116.25 118.21 1j9j h VAL 18 Ca 0.07 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1j9j h VAL 18 Cb 0.34 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1j9j h VAL 18 CO 0.01 0.07 0.26 0.25 0.02 0.00 0.00 177.57 178.18 1j9j h LEU 19 N 0.38 0.56 -0.37 2.57 5.85 -1.41 -2.62 115.31 120.26 1j9j h LEU 19 Ca 0.12 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1j9j h LEU 19 Cb -0.01 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1j9j h LEU 19 CO -0.05 0.47 0.12 0.00 -0.34 0.00 0.00 178.44 178.64 1j9j h ALA 20 N 1.11 0.49 -0.66 1.25 0.00 -0.91 -2.31 119.26 118.22 1j9j h ALA 20 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j9j h ALA 20 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1j9j h ALA 20 CO -0.03 0.12 0.36 0.93 0.00 0.00 0.00 179.25 180.64 1j9j h GLU 21 N 0.45 0.92 -0.42 0.00 5.08 -1.16 -1.66 114.58 117.79 1j9j h GLU 21 Ca 0.12 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1j9j h GLU 21 Cb 0.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1j9j h GLU 21 CO -0.00 0.69 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.35 1j9j h LEU 22 N 0.91 0.93 -0.86 1.33 3.38 -1.42 -3.11 115.31 116.47 1j9j h LEU 22 Ca 0.23 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1j9j h LEU 22 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1j9j h LEU 22 CO -0.04 1.15 -0.56 -0.07 0.09 0.00 0.00 178.44 179.01 1j9j h LEU 23 N 0.76 0.00 -0.45 1.67 3.38 -1.30 -2.98 115.31 116.40 1j9j h LEU 23 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1j9j h LEU 23 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1j9j h LEU 23 CO 0.07 0.56 0.00 -1.54 0.09 0.00 0.00 178.44 177.62 1j9j n SER 24 N -3.84 0.39 0.23 -0.43 3.41 -0.64 -1.04 113.62 111.72 1j9j n SER 24 Ca -0.01 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.30 1j9j n SER 24 Cb 0.57 -0.68 0.57 0.00 -0.26 0.00 0.00 64.21 64.41 1j9j n SER 24 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1j9j h GLU 25 N 0.00 0.00 0.00 4.33 5.08 -1.56 -3.33 114.58 119.10 1j9j h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j9j h GLU 25 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1j9j h GLU 25 CO 0.00 0.20 0.00 -1.91 -1.00 0.00 0.00 179.01 176.30 1j9j n GLU 26 N -3.66 2.39 -4.40 2.33 2.13 -1.09 -5.11 120.64 113.23 1j9j n GLU 26 Ca -0.01 -0.01 -0.20 0.00 0.66 0.00 0.00 57.16 57.60 1j9j n GLU 26 Cb 0.33 -0.20 -0.10 0.00 0.27 0.00 0.00 31.44 31.73 1j9j n GLU 26 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1j9j s HIS 27 N -0.34 1.82 -0.50 4.31 3.76 -0.20 -4.61 115.29 119.52 1j9j s HIS 27 Ca 0.00 -1.03 -0.20 0.00 -0.15 0.00 0.00 55.06 53.68 1j9j s HIS 27 Cb 0.00 -1.15 0.05 0.00 1.11 0.00 0.00 32.58 32.59 1j9j s HIS 27 CO 0.00 -0.11 0.65 -2.00 -0.85 0.00 0.00 174.74 172.43 1j9j s GLU 28 N -3.94 3.17 -0.18 1.40 2.12 -0.48 -4.27 118.70 116.51 1j9j s GLU 28 Ca 0.37 -0.73 -0.09 0.00 0.36 0.00 0.00 54.97 54.88 1j9j s GLU 28 Cb 0.08 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.36 1j9j s GLU 28 CO 0.15 -1.20 0.13 0.08 -0.54 0.00 0.00 175.26 173.88 1j9j s VAL 29 N 2.78 5.38 -0.15 3.70 1.01 -1.24 -1.18 120.40 130.69 1j9j s VAL 29 Ca 0.18 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1j9j s VAL 29 Cb -0.18 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1j9j s VAL 29 CO 0.14 0.48 -0.18 -0.36 0.00 0.00 0.00 175.10 175.18 1j9j s PHE 30 N 0.08 2.45 -0.20 5.22 0.40 -0.49 -2.34 117.98 123.10 1j9j s PHE 30 Ca 0.09 -1.34 -0.05 0.00 -0.60 0.00 0.00 56.93 55.03 1j9j s PHE 30 Cb -0.11 -1.72 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 1j9j s PHE 30 CO -0.01 -0.67 -0.00 0.08 0.70 0.00 0.00 175.22 175.32 1j9j s VAL 31 N 1.17 3.91 -0.25 -0.44 1.01 0.45 -1.13 120.40 125.13 1j9j s VAL 31 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1j9j s VAL 31 Cb -0.14 -2.76 0.08 0.00 0.00 0.00 0.00 36.38 33.56 1j9j s VAL 31 CO -0.08 0.43 0.07 -0.69 0.00 0.00 0.00 175.10 174.83 1j9j s VAL 32 N 1.00 0.61 0.13 2.92 1.01 -0.95 -0.25 120.40 124.87 1j9j s VAL 32 Ca 0.02 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1j9j s VAL 32 Cb -0.14 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1j9j s VAL 32 CO 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 175.10 174.68 1j9j s ALA 33 N 1.79 1.08 0.65 5.51 0.00 -0.91 -4.41 121.76 125.47 1j9j s ALA 33 Ca 0.04 -1.47 -0.18 0.00 0.00 0.00 0.00 51.96 50.34 1j9j s ALA 33 Cb -0.17 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1j9j s ALA 33 CO -0.17 -0.34 1.28 -2.30 0.00 0.00 0.00 175.76 174.23 1j9j n PRO 34 N -0.13 1.12 -0.30 0.00 -0.02 -1.26 -1.33 135.00 133.08 1j9j n PRO 34 Ca -0.08 0.44 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 1j9j n PRO 34 Cb 0.62 -2.52 0.19 0.00 -0.02 0.00 0.00 33.50 31.77 1j9j n PRO 34 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1j9j n ASP 35 N -1.83 2.59 -3.58 2.55 3.85 -0.25 -0.97 116.55 118.91 1j9j n ASP 35 Ca 0.16 -2.18 -0.04 0.00 -0.71 0.00 0.00 54.79 52.02 1j9j n ASP 35 Cb 0.48 -0.39 -0.00 0.00 -1.35 0.00 0.00 41.12 39.86 1j9j n ASP 35 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1j9j s LYS 36 N -1.65 1.33 0.24 0.11 -2.85 -1.26 -4.91 119.74 110.75 1j9j s LYS 36 Ca 0.27 -0.78 -0.31 0.00 -1.00 0.00 0.00 55.97 54.14 1j9j s LYS 36 Cb 0.17 0.42 -0.12 0.00 -2.06 0.00 0.00 37.83 36.24 1j9j s LYS 36 CO 0.14 -0.61 1.68 -2.00 0.10 0.00 0.00 175.35 174.65 1j9j s GLU 37 N -2.91 4.12 0.00 1.78 2.56 -1.26 -4.14 118.70 118.85 1j9j s GLU 37 Ca 0.15 2.61 0.11 0.00 0.00 0.00 0.00 54.97 57.84 1j9j s GLU 37 Cb -0.02 -3.05 0.18 0.00 2.00 0.00 0.00 34.13 33.24 1j9j s GLU 37 CO 0.04 -0.71 1.01 0.54 -0.56 0.00 0.00 175.26 175.57 1j9j n ARG 38 N 3.25 0.00 -0.16 4.30 1.74 0.75 -4.98 116.66 121.57 1j9j n ARG 38 Ca 0.13 -1.29 -0.02 0.00 -0.77 0.00 0.00 57.85 55.90 1j9j n ARG 38 Cb 0.36 0.02 0.05 0.00 -1.02 0.00 0.00 32.46 31.88 1j9j n ARG 38 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1j9j h SER 39 N 0.41 -0.28 -0.86 0.55 0.02 -1.84 -2.67 113.55 108.88 1j9j h SER 39 Ca -0.24 0.13 -0.47 0.00 -0.84 0.00 0.00 61.79 60.37 1j9j h SER 39 Cb 1.56 0.24 -0.26 0.00 0.14 0.00 0.00 62.40 64.07 1j9j h SER 39 CO -0.03 -0.10 0.60 0.00 -1.14 0.00 0.00 176.83 176.16 1j9j n ALA 40 N -2.72 5.32 1.08 3.77 0.00 -1.26 -1.76 120.51 124.94 1j9j n ALA 40 Ca 0.05 -2.58 0.13 0.00 0.00 0.00 0.00 53.44 51.04 1j9j n ALA 40 Cb 0.27 -1.44 0.43 0.00 0.00 0.00 0.00 19.45 18.72 1j9j n ALA 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j9j n THR 41 N -0.87 0.00 -4.72 0.00 -2.24 -1.01 -4.87 114.28 100.58 1j9j n THR 41 Ca 0.52 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1j9j n THR 41 Cb 1.37 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1j9j n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9j n GLY 42 N 1.46 1.92 2.33 3.38 0.00 -0.58 -2.98 105.19 110.71 1j9j n GLY 42 Ca 0.08 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1j9j n GLY 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1j9j n HIS 43 N 6.58 2.93 -2.38 1.61 -0.00 -1.26 -4.28 115.22 118.42 1j9j n HIS 43 Ca 0.00 -2.79 -0.37 0.00 0.46 0.00 0.00 57.72 55.02 1j9j n HIS 43 Cb 0.00 -1.36 -0.02 0.00 -0.12 0.00 0.00 29.99 28.49 1j9j n HIS 43 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1j9j s SER 44 N -1.42 6.45 0.09 0.26 0.15 -1.16 -5.01 113.70 113.06 1j9j s SER 44 Ca 0.59 2.20 0.03 0.00 0.70 0.00 0.00 55.95 59.46 1j9j s SER 44 Cb 0.46 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 1j9j s SER 44 CO -0.05 -0.72 -0.08 0.27 1.20 0.00 0.00 173.24 173.86 1j9j s ILE 45 N -1.58 0.78 -0.42 6.45 -4.36 -1.26 -4.47 121.20 116.34 1j9j s ILE 45 Ca 0.60 -1.66 -0.14 0.00 -0.26 0.00 0.00 60.65 59.19 1j9j s ILE 45 Cb -0.26 -1.36 0.04 0.00 1.25 0.00 0.00 42.46 42.13 1j9j s ILE 45 CO 0.32 -0.65 0.31 -0.89 0.24 0.00 0.00 174.94 174.27 1j9j s THR 46 N -2.72 5.04 0.00 8.37 2.01 -1.26 -4.88 115.64 122.20 1j9j s THR 46 Ca 0.05 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1j9j s THR 46 Cb -0.01 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1j9j s THR 46 CO -0.02 -0.40 0.00 2.30 -0.69 0.00 0.00 174.62 175.81 1j9j n ILE 47 N 5.12 0.00 0.44 1.82 -5.35 -1.26 -4.77 119.36 115.37 1j9j n ILE 47 Ca -0.12 -0.13 0.12 0.00 -0.27 0.00 0.00 62.75 62.35 1j9j n ILE 47 Cb 0.45 0.61 0.12 0.00 -1.74 0.00 0.00 39.64 39.08 1j9j n ILE 47 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 1j9j h HIS 48 N 0.00 0.00 -3.96 4.28 3.86 -2.08 -3.47 115.15 113.77 1j9j h HIS 48 Ca 0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 1j9j h HIS 48 Cb 0.00 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.32 1j9j h HIS 48 CO 0.00 0.00 -0.67 0.14 0.86 0.00 0.00 177.93 178.26 1j9j s VAL 49 N -3.22 0.51 0.79 2.45 -7.23 -1.26 -5.16 120.40 107.28 1j9j s VAL 49 Ca 0.04 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 1j9j s VAL 49 Cb 0.12 -1.95 0.07 0.00 0.56 0.00 0.00 36.38 35.18 1j9j s VAL 49 CO 0.74 -0.61 1.10 -2.84 -0.31 0.00 0.00 175.10 173.18 1j9j s PRO 50 N -3.93 2.10 0.09 4.82 0.02 -1.26 -4.98 135.00 131.87 1j9j s PRO 50 Ca 0.20 1.18 0.07 0.00 0.02 0.00 0.00 61.00 62.46 1j9j s PRO 50 Cb 0.06 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1j9j s PRO 50 CO 0.00 -1.75 -0.09 -0.51 -0.33 0.00 0.00 177.00 174.32 1j9j s LEU 51 N -5.99 3.09 0.06 -5.54 1.43 -1.26 -5.03 118.68 105.44 1j9j s LEU 51 Ca 0.62 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 1j9j s LEU 51 Cb -0.18 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1j9j s LEU 51 CO 0.56 0.19 -0.12 0.26 0.23 0.00 0.00 176.35 177.47 1j9j s TRP 52 N -1.21 1.02 0.09 0.29 0.52 -1.26 -5.03 118.94 113.36 1j9j s TRP 52 Ca 0.22 -0.48 0.04 0.00 0.02 0.00 0.00 56.10 55.90 1j9j s TRP 52 Cb -0.11 -0.58 -0.03 0.00 -1.15 0.00 0.00 33.47 31.59 1j9j s TRP 52 CO 0.14 0.01 -0.12 -1.64 0.02 0.00 0.00 176.95 175.35 1j9j s MET 53 N -1.71 0.84 -0.04 4.98 -1.94 -1.26 -2.14 119.30 118.03 1j9j s MET 53 Ca -0.05 -1.06 -0.02 0.00 -1.71 0.00 0.00 55.69 52.86 1j9j s MET 53 Cb -0.10 -0.68 0.03 0.00 2.01 0.00 0.00 34.83 36.09 1j9j s MET 53 CO 0.02 0.13 0.04 0.21 -0.01 0.00 0.00 175.02 175.41 1j9j s LYS 54 N -2.27 0.07 0.14 2.03 2.20 -0.39 -4.96 119.74 116.55 1j9j s LYS 54 Ca 0.02 0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.61 1j9j s LYS 54 Cb -0.06 -0.56 -0.09 0.00 -1.51 0.00 0.00 37.83 35.61 1j9j s LYS 54 CO 0.01 -0.30 1.43 0.21 -0.36 0.00 0.00 175.35 176.35 1j9j s LYS 55 N 1.95 4.30 -0.41 4.03 2.20 -1.26 -1.07 119.74 129.47 1j9j s LYS 55 Ca 0.03 2.16 0.09 0.00 -0.36 0.00 0.00 55.97 57.88 1j9j s LYS 55 Cb -0.12 -3.21 0.28 0.00 -1.51 0.00 0.00 37.83 33.27 1j9j s LYS 55 CO -0.03 -0.46 0.68 1.33 -0.36 0.00 0.00 175.35 176.51 1j9j n VAL 56 N 3.73 -0.40 -1.02 4.02 0.24 0.18 -4.92 118.33 120.16 1j9j n VAL 56 Ca 0.11 -3.56 -0.33 0.00 -2.04 0.00 0.00 64.34 58.52 1j9j n VAL 56 Cb 0.41 -0.69 -0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1j9j n VAL 56 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1j9j n PHE 57 N 1.07 -1.73 0.00 6.34 3.01 -1.24 -4.51 117.46 120.39 1j9j n PHE 57 Ca 0.19 0.47 0.00 0.00 1.01 0.00 0.00 57.45 59.12 1j9j n PHE 57 Cb 0.59 -1.39 0.00 0.00 -0.01 0.00 0.00 39.48 38.68 1j9j n PHE 57 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1j9j n ILE 58 N -0.84 0.00 -2.37 4.37 5.41 -1.26 -4.91 119.36 119.75 1j9j n ILE 58 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1j9j n ILE 58 Cb 0.32 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 1j9j n ILE 58 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1j9j n SER 59 N -1.78 0.00 -0.08 4.38 7.64 -1.26 -5.04 113.62 117.48 1j9j n SER 59 Ca 0.00 -0.28 -0.22 0.00 1.01 0.00 0.00 58.87 59.38 1j9j n SER 59 Cb 0.28 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.36 1j9j n SER 59 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1j9j n GLU 60 N 0.00 0.66 0.00 1.43 0.00 -1.26 -4.20 120.64 117.27 1j9j n GLU 60 Ca 0.00 0.28 0.13 0.00 0.00 0.00 0.00 57.16 57.57 1j9j n GLU 60 Cb 0.00 -1.62 0.70 0.00 0.00 0.00 0.00 31.44 30.53 1j9j n GLU 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1j9j n ARG 61 N -3.71 0.53 -4.70 5.31 1.74 -1.26 -4.76 116.66 109.81 1j9j n ARG 61 Ca -0.40 0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.47 1j9j n ARG 61 Cb 0.94 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.72 1j9j n ARG 61 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j9j s VAL 62 N -2.38 1.21 -0.18 1.55 0.11 -1.26 -3.70 120.40 115.75 1j9j s VAL 62 Ca 0.30 -0.61 -0.07 0.00 -2.93 0.00 0.00 61.98 58.67 1j9j s VAL 62 Cb 0.18 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1j9j s VAL 62 CO 0.37 0.35 0.04 -0.69 -3.33 0.00 0.00 175.10 171.84 1j9j s VAL 63 N -0.04 4.56 0.00 2.04 1.01 -0.99 -4.00 120.40 122.99 1j9j s VAL 63 Ca -0.01 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1j9j s VAL 63 Cb -0.09 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1j9j s VAL 63 CO 0.01 0.47 -0.14 0.00 0.00 0.00 0.00 175.10 175.44 1j9j s ALA 64 N 0.39 1.14 0.00 5.51 0.00 -1.26 -0.41 121.76 127.12 1j9j s ALA 64 Ca 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1j9j s ALA 64 Cb -0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 1j9j s ALA 64 CO 0.01 0.26 -0.04 0.71 0.00 0.00 0.00 175.76 176.70 1j9j s TYR 65 N -0.45 0.36 0.17 0.00 1.51 0.66 0.50 117.35 120.10 1j9j s TYR 65 Ca 0.04 -0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 1j9j s TYR 65 Cb -0.06 -0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1j9j s TYR 65 CO -0.00 -0.01 0.10 -1.54 -1.11 0.00 0.00 175.55 172.99 1j9j s SER 66 N -0.21 5.33 0.07 2.29 1.04 -0.23 -2.14 113.70 119.84 1j9j s SER 66 Ca 0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1j9j s SER 66 Cb -0.02 -1.33 -0.04 0.00 0.10 0.00 0.00 66.02 64.73 1j9j s SER 66 CO -0.00 0.07 -0.04 0.28 0.98 0.00 0.00 173.24 174.53 1j9j s THR 67 N -1.76 0.40 -2.15 2.02 -1.32 -0.44 -1.26 115.64 111.13 1j9j s THR 67 Ca 0.30 -1.82 0.30 0.00 -1.21 0.00 0.00 61.69 59.26 1j9j s THR 67 Cb -0.10 -1.53 0.66 0.00 -1.51 0.00 0.00 72.50 70.02 1j9j s THR 67 CO 0.22 -0.93 1.94 0.35 -2.21 0.00 0.00 174.62 173.99 1j9j n THR 68 N 0.11 0.00 -2.53 5.08 -2.24 -0.91 -1.09 114.28 112.71 1j9j n THR 68 Ca -0.14 -0.12 -0.19 0.00 -2.27 0.00 0.00 64.05 61.33 1j9j n THR 68 Cb 0.61 0.02 0.10 0.00 -2.10 0.00 0.00 70.33 68.96 1j9j n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9j n GLY 69 N 1.13 0.61 3.91 3.38 0.00 -1.26 -4.94 105.19 108.02 1j9j n GLY 69 Ca 0.20 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 1j9j n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j9j s THR 70 N -2.54 2.15 0.29 2.61 -4.23 -1.26 -4.60 115.64 108.06 1j9j s THR 70 Ca 0.55 -0.06 -0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1j9j s THR 70 Cb -0.03 -3.02 0.28 0.00 1.34 0.00 0.00 72.50 71.07 1j9j s THR 70 CO 0.37 -0.03 1.90 1.55 -0.54 0.00 0.00 174.62 177.87 1j9j h PRO 71 N -0.90 1.04 -0.41 3.99 0.13 -1.85 -0.63 132.00 133.37 1j9j h PRO 71 Ca -0.45 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.52 1j9j h PRO 71 Cb 1.32 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1j9j h PRO 71 CO 0.64 0.69 -0.13 0.00 -0.23 0.00 0.00 178.00 178.97 1j9j h ALA 72 N 1.50 1.01 -0.92 -0.56 0.00 -1.85 -2.46 119.26 115.97 1j9j h ALA 72 Ca 0.41 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1j9j h ALA 72 Cb 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1j9j h ALA 72 CO -0.16 0.59 0.52 -0.44 0.00 0.00 0.00 179.25 179.77 1j9j h ASP 73 N 0.66 1.14 -0.61 0.00 3.32 -1.41 -2.61 116.42 116.91 1j9j h ASP 73 Ca 0.11 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.14 1j9j h ASP 73 Cb 0.60 -0.29 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 1j9j h ASP 73 CO 0.04 0.90 0.29 0.00 -1.72 0.00 0.00 179.24 178.75 1j9j h VAL 75 N 0.53 1.26 -0.45 0.00 2.07 -1.28 0.25 116.25 118.64 1j9j h VAL 75 Ca 0.29 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1j9j h VAL 75 Cb 0.27 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1j9j h VAL 75 CO -0.23 0.33 0.26 0.11 0.02 0.00 0.00 177.57 178.07 1j9j h LYS 76 N 0.45 0.61 -0.53 1.57 1.57 -1.13 -1.31 116.57 117.80 1j9j h LYS 76 Ca 0.10 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1j9j h LYS 76 Cb 0.48 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1j9j h LYS 76 CO 0.02 0.46 0.24 -0.07 -0.57 0.00 0.00 179.45 179.53 1j9j h LEU 77 N 0.59 0.70 0.06 2.94 3.38 -0.85 -1.70 115.31 120.44 1j9j h LEU 77 Ca 0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1j9j h LEU 77 Cb 0.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1j9j h LEU 77 CO -0.03 0.65 -0.03 0.00 0.09 0.00 0.00 178.44 179.12 1j9j h ALA 78 N 1.08 -0.08 -0.08 1.53 0.00 -0.69 -0.37 119.26 120.66 1j9j h ALA 78 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j9j h ALA 78 Cb 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1j9j h ALA 78 CO -0.02 -0.52 0.03 -0.92 0.00 0.00 0.00 179.25 177.82 1j9j h TYR 79 N -0.14 0.12 0.05 0.00 3.20 -1.20 0.33 116.97 119.33 1j9j h TYR 79 Ca -0.01 -0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.62 1j9j h TYR 79 Cb 0.12 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1j9j h TYR 79 CO -0.05 0.24 -1.08 -0.91 -1.64 0.00 0.00 178.16 174.72 1j9j h ASN 80 N -0.04 0.23 0.00 -2.11 4.21 -1.34 0.33 115.58 116.87 1j9j h ASN 80 Ca 0.03 -0.23 -0.04 0.00 1.21 0.00 0.00 56.30 57.27 1j9j h ASN 80 Cb 0.17 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1j9j h ASN 80 CO -0.00 1.15 -1.13 1.33 -1.29 0.00 0.00 177.43 177.48 1j9j n VAL 81 N -3.49 0.14 -0.07 2.81 0.24 -0.17 -4.61 118.33 113.17 1j9j n VAL 81 Ca -0.04 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.34 62.00 1j9j n VAL 81 Cb 0.95 -0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 32.37 1j9j n VAL 81 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1j9j h VAL 82 N 0.00 1.27 -0.44 3.34 2.07 -1.24 -3.39 116.25 117.87 1j9j h VAL 82 Ca -0.05 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1j9j h VAL 82 Cb 1.11 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1j9j h VAL 82 CO -0.00 0.49 0.00 0.23 0.02 0.00 0.00 177.57 178.30 1j9j n MET 83 N -4.42 2.09 -3.76 1.57 2.81 0.11 -4.96 117.12 110.57 1j9j n MET 83 Ca -0.22 -1.69 -0.29 0.00 -1.81 0.00 0.00 57.70 53.69 1j9j n MET 83 Cb 0.64 -1.39 0.01 0.00 -0.71 0.00 0.00 33.22 31.78 1j9j n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1j9j n ASP 84 N 0.88 -4.47 -1.16 7.83 4.64 -1.25 -1.06 116.55 121.97 1j9j n ASP 84 Ca 0.16 -0.68 -0.15 0.00 -1.38 0.00 0.00 54.79 52.74 1j9j n ASP 84 Cb 0.41 -3.60 -0.06 0.00 -1.04 0.00 0.00 41.12 36.82 1j9j n ASP 84 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1j9j n LYS 85 N -4.37 -1.18 -3.76 -0.67 5.02 0.12 -4.95 118.16 108.37 1j9j n LYS 85 Ca 0.03 1.02 -0.35 0.00 -2.02 0.00 0.00 58.31 56.99 1j9j n LYS 85 Cb 0.53 -5.22 -0.10 0.00 -0.02 0.00 0.00 35.03 30.22 1j9j n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1j9j s ARG 86 N -3.24 2.49 -0.11 1.97 0.52 -0.22 -5.04 118.95 115.32 1j9j s ARG 86 Ca 0.00 -2.62 -0.00 0.00 -0.52 0.00 0.00 55.73 52.59 1j9j s ARG 86 Cb 0.00 -3.66 0.02 0.00 0.52 0.00 0.00 34.95 31.84 1j9j s ARG 86 CO 0.00 -1.17 -0.08 0.08 0.02 0.00 0.00 175.30 174.15 1j9j s VAL 87 N -0.23 1.03 -0.05 3.52 1.01 -1.26 -4.90 120.40 119.52 1j9j s VAL 87 Ca 0.18 -0.30 0.13 0.00 0.00 0.00 0.00 61.98 61.99 1j9j s VAL 87 Cb -0.20 -1.04 -0.23 0.00 0.00 0.00 0.00 36.38 34.90 1j9j s VAL 87 CO -0.03 0.37 0.65 0.47 0.00 0.00 0.00 175.10 176.55 1j9j n ASP 88 N 4.87 0.87 -3.65 3.32 8.00 -0.24 -4.93 116.55 124.79 1j9j n ASP 88 Ca -0.13 0.41 -0.15 0.00 0.71 0.00 0.00 54.79 55.62 1j9j n ASP 88 Cb 0.50 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.47 1j9j n ASP 88 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1j9j s LEU 89 N -6.09 0.10 -0.10 0.64 2.96 -1.14 -4.44 118.68 110.62 1j9j s LEU 89 Ca -0.05 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 1j9j s LEU 89 Cb 0.08 1.88 0.01 0.00 0.50 0.00 0.00 46.19 48.66 1j9j s LEU 89 CO 0.82 -0.48 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.57 1j9j s ILE 90 N -1.07 1.56 -0.10 6.68 1.01 -0.62 -0.99 121.20 127.67 1j9j s ILE 90 Ca -0.11 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 1j9j s ILE 90 Cb -0.03 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 41.06 1j9j s ILE 90 CO 0.06 0.45 -0.07 -0.69 0.00 0.00 0.00 174.94 174.69 1j9j s VAL 91 N 0.76 0.96 -0.30 2.92 1.01 -0.03 -0.56 120.40 125.17 1j9j s VAL 91 Ca -0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1j9j s VAL 91 Cb -0.16 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1j9j s VAL 91 CO 0.02 0.35 0.05 -0.55 0.00 0.00 0.00 175.10 174.97 1j9j s SER 92 N 1.59 5.02 0.00 3.32 0.15 -0.01 -1.59 113.70 122.18 1j9j s SER 92 Ca 0.02 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1j9j s SER 92 Cb -0.13 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1j9j s SER 92 CO -0.06 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1j9j n GLY 93 N 4.78 -0.20 3.67 9.45 0.00 0.22 -1.10 105.19 122.00 1j9j n GLY 93 Ca -0.14 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1j9j n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j9j s VAL 94 N -2.92 4.85 0.43 1.61 1.01 -1.01 -4.07 120.40 120.30 1j9j s VAL 94 Ca 0.00 1.68 -0.23 0.00 0.00 0.00 0.00 61.98 63.43 1j9j s VAL 94 Cb 0.00 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 1j9j s VAL 94 CO 0.00 -0.01 1.10 0.21 0.00 0.00 0.00 175.10 176.40 1j9j s ASN 95 N 1.18 6.46 -0.61 3.32 2.47 -0.62 -4.34 114.94 122.80 1j9j s ASN 95 Ca 0.39 2.14 -0.23 0.00 0.42 0.00 0.00 52.86 55.58 1j9j s ASN 95 Cb -0.16 -2.59 0.06 0.00 -1.45 0.00 0.00 41.25 37.10 1j9j s ASN 95 CO 0.11 -0.71 0.93 -0.60 -3.72 0.00 0.00 177.10 173.12 1j9j s ARG 96 N -2.66 3.19 0.00 0.43 3.52 -1.26 -1.30 118.95 120.87 1j9j s ARG 96 Ca 0.61 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 1j9j s ARG 96 Cb -0.24 -4.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.00 1j9j s ARG 96 CO 0.30 -1.64 0.00 0.41 -0.81 0.00 0.00 175.30 173.55 1j9j n GLY 97 N 5.24 2.74 3.83 8.12 0.00 -0.34 -4.72 105.19 120.05 1j9j n GLY 97 Ca -0.02 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 1j9j n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j9j s PRO 98 N -2.78 3.53 -0.42 1.61 0.04 -1.25 -3.96 135.00 131.77 1j9j s PRO 98 Ca 0.00 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.10 1j9j s PRO 98 Cb 0.00 -2.07 0.16 0.00 0.04 0.00 0.00 34.50 32.63 1j9j s PRO 98 CO 0.00 -0.63 0.33 -0.80 0.04 0.00 0.00 177.00 175.94 1j9j s ASN 99 N -3.20 1.97 0.17 6.66 0.01 -1.26 -5.05 114.94 114.23 1j9j s ASN 99 Ca 0.60 -2.96 0.02 0.00 -0.71 0.00 0.00 52.86 49.81 1j9j s ASN 99 Cb -0.13 -0.53 -0.05 0.00 0.41 0.00 0.00 41.25 40.96 1j9j s ASN 99 CO 0.39 -0.19 -0.02 -0.04 -1.51 0.00 0.00 177.10 175.74 1j9j s MET 100 N 0.13 1.10 4.61 -0.60 -1.94 -1.26 -4.79 119.30 116.55 1j9j s MET 100 Ca 0.29 -1.52 0.00 0.00 -1.71 0.00 0.00 55.69 52.75 1j9j s MET 100 Cb -0.02 -0.35 0.00 0.00 2.01 0.00 0.00 34.83 36.47 1j9j s MET 100 CO -0.16 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.18 1j9j n GLY 101 N -0.24 1.60 0.06 -0.03 0.00 -1.26 -2.39 105.19 102.93 1j9j n GLY 101 Ca -0.07 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.47 1j9j n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j9j n MET 102 N 5.01 0.08 0.26 1.61 2.81 -0.37 -2.64 117.12 123.88 1j9j n MET 102 Ca 0.00 0.36 0.18 0.00 -1.81 0.00 0.00 57.70 56.43 1j9j n MET 102 Cb 0.00 -1.67 0.83 0.00 -0.71 0.00 0.00 33.22 31.68 1j9j n MET 102 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1j9j h ASP 103 N 0.00 0.00 0.59 7.83 3.32 -1.64 -2.07 116.42 124.45 1j9j h ASP 103 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j9j h ASP 103 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1j9j h ASP 103 CO 0.00 0.00 -0.00 0.16 -1.72 0.00 0.00 179.24 177.68 1j9j h ILE 104 N 0.00 0.01 -0.08 0.35 3.07 -1.65 -2.48 117.51 116.73 1j9j h ILE 104 Ca 0.00 -0.30 -0.06 0.00 1.55 0.00 0.00 64.86 66.05 1j9j h ILE 104 Cb 0.24 1.30 -0.01 0.00 -0.27 0.00 0.00 36.82 38.08 1j9j h ILE 104 CO 0.00 0.00 -0.23 -0.07 -1.05 0.00 0.00 178.15 176.80 1j9j h LEU 105 N 0.00 0.14 -2.99 0.16 3.38 -1.63 -2.80 115.31 111.56 1j9j h LEU 105 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1j9j h LEU 105 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1j9j h LEU 105 CO 0.00 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1j9j n HIS 106 N -4.21 0.83 -2.83 1.13 1.44 -0.95 -4.43 115.22 106.20 1j9j n HIS 106 Ca -0.01 -0.60 -0.42 0.00 -2.01 0.00 0.00 57.72 54.68 1j9j n HIS 106 Cb 0.32 -0.12 -0.04 0.00 0.12 0.00 0.00 29.99 30.27 1j9j n HIS 106 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1j9j s SER 107 N -1.16 6.96 0.23 4.39 0.15 -1.06 -1.53 113.70 121.68 1j9j s SER 107 Ca 0.36 1.19 0.03 0.00 0.70 0.00 0.00 55.95 58.23 1j9j s SER 107 Cb 0.22 -2.47 0.23 0.00 -1.71 0.00 0.00 66.02 62.29 1j9j s SER 107 CO 0.18 -0.49 1.56 1.23 1.20 0.00 0.00 173.24 176.92 1j9j h GLY 108 N 8.76 0.33 0.89 9.45 0.00 -1.53 -2.26 103.07 118.71 1j9j h GLY 108 Ca -0.26 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1j9j h GLY 108 CO 0.87 0.36 -0.22 -0.84 0.00 0.00 0.00 176.54 176.71 1j9j h THR 109 N 0.23 0.53 -0.50 4.70 2.02 -1.88 -2.11 112.91 115.89 1j9j h THR 109 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1j9j h THR 109 Cb 1.09 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1j9j h THR 109 CO 0.09 0.00 0.14 0.58 0.37 0.00 0.00 175.52 176.70 1j9j h VAL 110 N -0.56 1.21 -0.73 3.16 2.07 -1.88 -2.97 116.25 116.55 1j9j h VAL 110 Ca -0.04 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1j9j h VAL 110 Cb 0.47 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1j9j h VAL 110 CO 0.03 0.27 0.45 0.77 0.02 0.00 0.00 177.57 179.12 1j9j h SER 111 N 0.74 0.87 -0.43 0.57 4.64 -1.13 0.14 113.55 118.94 1j9j h SER 111 Ca 0.17 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1j9j h SER 111 Cb 0.24 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1j9j h SER 111 CO -0.01 0.66 0.21 1.23 -0.87 0.00 0.00 176.83 178.06 1j9j h GLY 112 N 0.99 0.66 1.63 -0.77 0.00 -1.23 -1.81 103.07 102.54 1j9j h GLY 112 Ca 0.26 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 1j9j h GLY 112 CO -0.05 0.30 -0.24 0.00 0.00 0.00 0.00 176.54 176.55 1j9j h ALA 113 N 1.06 1.16 -0.17 3.60 0.00 -1.41 -2.64 119.26 120.86 1j9j h ALA 113 Ca 0.15 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1j9j h ALA 113 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1j9j h ALA 113 CO -0.02 0.53 -0.17 1.98 0.00 0.00 0.00 179.25 181.57 1j9j h MET 114 N 0.39 0.29 -0.60 0.00 -1.53 -0.48 -0.78 114.93 112.22 1j9j h MET 114 Ca 0.06 -0.08 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 1j9j h MET 114 Cb 0.63 -0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.62 1j9j h MET 114 CO 0.05 0.46 0.32 0.93 0.14 0.00 0.00 176.91 178.80 1j9j h GLU 115 N 0.27 0.83 -0.25 0.39 4.39 -0.97 -0.46 114.58 118.78 1j9j h GLU 115 Ca 0.05 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1j9j h GLU 115 Cb 0.47 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1j9j h GLU 115 CO 0.03 0.62 0.04 0.78 -1.16 0.00 0.00 179.01 179.32 1j9j h GLY 116 N 0.91 0.45 1.05 -3.84 0.00 -1.10 -2.97 103.07 97.57 1j9j h GLY 116 Ca 0.21 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1j9j h GLY 116 CO -0.03 0.28 0.64 0.00 0.00 0.00 0.00 176.54 177.42 1j9j h ALA 117 N 0.85 1.32 0.00 3.60 0.00 -0.70 -1.02 119.26 123.32 1j9j h ALA 117 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j9j h ALA 117 Cb 0.33 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1j9j h ALA 117 CO 0.01 0.63 0.00 0.52 0.00 0.00 0.00 179.25 180.40 1j9j h MET 118 N 1.30 0.00 -0.48 0.00 2.07 -0.95 0.06 114.93 116.93 1j9j h MET 118 Ca 0.35 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.98 1j9j h MET 118 Cb -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.59 1j9j h MET 118 CO -0.08 0.00 0.00 -1.33 1.07 0.00 0.00 176.91 176.57 1j9j n MET 119 N -2.93 2.92 -3.65 1.72 2.81 -0.46 -4.98 117.12 112.55 1j9j n MET 119 Ca -0.02 -2.36 -0.22 0.00 -1.81 0.00 0.00 57.70 53.30 1j9j n MET 119 Cb 0.13 -1.45 0.04 0.00 -0.71 0.00 0.00 33.22 31.23 1j9j n MET 119 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1j9j n ASN 120 N 0.82 -2.17 -4.20 7.83 3.02 0.01 -5.01 115.26 115.55 1j9j n ASN 120 Ca 0.17 -0.83 -0.30 0.00 -0.03 0.00 0.00 54.58 53.59 1j9j n ASN 120 Cb 0.56 -4.11 -0.17 0.00 -0.61 0.00 0.00 39.78 35.45 1j9j n ASN 120 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j9j s ILE 121 N -3.61 1.83 -0.01 2.41 1.01 -0.75 -5.02 121.20 117.07 1j9j s ILE 121 Ca 0.10 -0.92 -0.34 0.00 0.00 0.00 0.00 60.65 59.49 1j9j s ILE 121 Cb -0.03 -1.57 -0.12 0.00 0.01 0.00 0.00 42.46 40.75 1j9j s ILE 121 CO 0.81 0.51 1.80 -0.81 0.00 0.00 0.00 174.94 177.25 1j9j n PRO 122 N 3.25 2.22 -4.25 2.79 -0.04 -1.26 -4.00 135.00 133.72 1j9j n PRO 122 Ca -0.19 0.81 -0.17 0.00 -0.04 0.00 0.00 63.50 63.91 1j9j n PRO 122 Cb 0.52 -2.64 -0.14 0.00 -0.04 0.00 0.00 33.50 31.21 1j9j n PRO 122 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1j9j s SER 123 N 3.16 1.06 -0.02 3.54 0.01 -1.26 -1.59 113.70 118.61 1j9j s SER 123 Ca 0.88 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.86 1j9j s SER 123 Cb -0.67 -0.07 -0.00 0.00 0.21 0.00 0.00 66.02 65.49 1j9j s SER 123 CO 0.47 0.01 -0.09 -0.63 0.41 0.00 0.00 173.24 173.41 1j9j s ILE 124 N -0.63 0.74 -0.19 1.44 1.01 0.28 -1.98 121.20 121.86 1j9j s ILE 124 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 1j9j s ILE 124 Cb -0.06 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 1j9j s ILE 124 CO 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 174.94 175.11 1j9j s ALA 125 N 0.05 2.80 -0.05 9.38 0.00 -0.51 -0.83 121.76 132.60 1j9j s ALA 125 Ca -0.01 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1j9j s ALA 125 Cb -0.07 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1j9j s ALA 125 CO 0.00 -0.20 -0.14 -1.50 0.00 0.00 0.00 175.76 173.91 1j9j s ILE 126 N 1.10 1.25 0.03 0.00 2.07 -0.26 -0.06 121.20 125.33 1j9j s ILE 126 Ca 0.01 -0.59 0.03 0.00 -1.41 0.00 0.00 60.65 58.69 1j9j s ILE 126 Cb -0.15 -1.10 -0.02 0.00 0.13 0.00 0.00 42.46 41.32 1j9j s ILE 126 CO -0.01 0.37 -0.09 -0.44 -1.91 0.00 0.00 174.94 172.87 1j9j s SER 127 N 0.29 0.97 -0.40 4.50 0.01 -0.46 -1.59 113.70 117.03 1j9j s SER 127 Ca -0.08 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 56.55 1j9j s SER 127 Cb -0.13 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.10 1j9j s SER 127 CO 0.03 -0.10 0.52 -0.55 0.41 0.00 0.00 173.24 173.54 1j9j s SER 128 N -1.21 6.27 0.00 2.44 0.15 -0.42 -0.79 113.70 120.14 1j9j s SER 128 Ca -0.05 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1j9j s SER 128 Cb -0.08 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1j9j s SER 128 CO 0.01 -0.59 0.36 0.00 1.20 0.00 0.00 173.24 174.21 1j9j n ALA 129 N 5.83 1.95 -3.19 5.45 0.00 0.11 -1.20 120.51 129.45 1j9j n ALA 129 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.40 1j9j n ALA 129 Cb 0.48 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 1j9j n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j9j s ASN 130 N 1.98 -1.09 0.10 0.00 3.84 -1.26 -4.60 114.94 113.91 1j9j s ASN 130 Ca 0.00 0.38 -0.20 0.00 0.21 0.00 0.00 52.86 53.25 1j9j s ASN 130 Cb 0.00 1.87 -0.08 0.00 -0.55 0.00 0.00 41.25 42.49 1j9j s ASN 130 CO 0.00 -0.29 1.67 0.22 -2.79 0.00 0.00 177.10 175.90 1j9j h TYR 131 N 8.04 0.29 -0.42 0.43 3.20 -1.85 -2.30 116.97 124.36 1j9j h TYR 131 Ca -0.12 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.63 1j9j h TYR 131 Cb 1.17 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1j9j h TYR 131 CO 0.19 0.30 -0.13 1.49 -1.64 0.00 0.00 178.16 178.37 1j9j h GLU 132 N 0.19 0.83 -2.37 1.82 4.57 -1.97 -3.39 114.58 114.26 1j9j h GLU 132 Ca 0.07 -0.33 -0.59 0.00 -1.18 0.00 0.00 59.36 57.33 1j9j h GLU 132 Cb 0.12 -0.04 -0.40 0.00 -0.16 0.00 0.00 28.75 28.28 1j9j h GLU 132 CO -0.01 0.96 -0.88 0.43 -1.18 0.00 0.00 179.01 178.33 1j9j n SER 133 N -4.28 1.02 -4.85 1.04 7.64 -1.22 -5.12 113.62 107.84 1j9j n SER 133 Ca -0.01 -2.79 -0.31 0.00 1.01 0.00 0.00 58.87 56.77 1j9j n SER 133 Cb 0.39 -0.63 0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1j9j n SER 133 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1j9j s PRO 134 N -0.98 3.34 -0.60 1.43 0.04 -0.87 -4.75 135.00 132.61 1j9j s PRO 134 Ca 0.33 0.83 0.05 0.00 0.04 0.00 0.00 61.00 62.26 1j9j s PRO 134 Cb 0.08 -2.04 0.19 0.00 0.04 0.00 0.00 34.50 32.76 1j9j s PRO 134 CO -0.14 -0.78 0.49 -3.47 0.04 0.00 0.00 177.00 173.14 1j9j n ASP 135 N -2.89 1.98 -0.03 6.66 2.03 -1.26 -4.97 116.55 118.06 1j9j n ASP 135 Ca 0.07 -2.98 -0.09 0.00 0.52 0.00 0.00 54.79 52.31 1j9j n ASP 135 Cb 0.54 -0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 40.22 1j9j n ASP 135 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1j9j h PHE 136 N 5.19 -0.03 -0.56 -0.67 0.05 -1.96 -2.38 116.94 116.58 1j9j h PHE 136 Ca 0.18 0.01 0.04 0.00 3.82 0.00 0.00 57.97 62.03 1j9j h PHE 136 Cb 0.79 0.04 -0.04 0.00 2.00 0.00 0.00 35.95 38.74 1j9j h PHE 136 CO 0.55 -0.04 0.31 1.49 -0.18 0.00 0.00 178.31 180.45 1j9j h GLU 137 N 0.05 0.58 -0.54 1.51 4.81 -1.94 -0.83 114.58 118.21 1j9j h GLU 137 Ca 0.08 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1j9j h GLU 137 Cb 0.11 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1j9j h GLU 137 CO -0.15 0.38 0.35 0.78 -0.73 0.00 0.00 179.01 179.64 1j9j h GLY 138 N 0.60 0.77 1.01 1.92 0.00 -1.93 0.13 103.07 105.57 1j9j h GLY 138 Ca 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1j9j h GLY 138 CO -0.14 0.26 0.31 0.00 0.00 0.00 0.00 176.54 176.96 1j9j h ALA 139 N 1.21 0.89 -0.32 3.60 0.00 -1.02 -1.62 119.26 122.01 1j9j h ALA 139 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1j9j h ALA 139 Cb -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1j9j h ALA 139 CO -0.06 0.48 0.08 0.00 0.00 0.00 0.00 179.25 179.75 1j9j h ALA 140 N 1.14 0.42 -0.61 0.00 0.00 -0.64 -1.88 119.26 117.70 1j9j h ALA 140 Ca 0.23 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1j9j h ALA 140 Cb 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1j9j h ALA 140 CO -0.03 0.08 0.30 0.00 0.00 0.00 0.00 179.25 179.61 1j9j h ARG 141 N 0.36 0.54 -0.31 0.00 2.47 -0.50 -1.82 114.38 115.11 1j9j h ARG 141 Ca 0.10 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1j9j h ARG 141 Cb 0.29 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 1j9j h ARG 141 CO 0.00 0.35 0.20 0.35 0.56 0.00 0.00 179.97 181.44 1j9j h PHE 142 N 0.55 0.40 -0.15 3.04 3.57 -1.05 -2.73 116.94 120.57 1j9j h PHE 142 Ca 0.29 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.81 1j9j h PHE 142 Cb 0.24 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1j9j h PHE 142 CO -0.11 0.26 0.02 1.25 -2.23 0.00 0.00 178.31 177.50 1j9j h LEU 143 N 0.42 -0.02 -1.10 0.59 5.85 -0.80 -0.32 115.31 119.93 1j9j h LEU 143 Ca 0.11 0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.05 1j9j h LEU 143 Cb -0.03 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 1j9j h LEU 143 CO -0.02 0.01 0.61 0.40 -0.34 0.00 0.00 178.44 179.10 1j9j h ILE 144 N 0.07 0.72 -0.02 4.05 2.04 -1.22 0.11 117.51 123.26 1j9j h ILE 144 Ca 0.07 -0.25 -0.21 0.00 1.00 0.00 0.00 64.86 65.47 1j9j h ILE 144 Cb 0.07 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1j9j h ILE 144 CO -0.10 0.13 -0.88 -0.78 0.00 0.00 0.00 178.15 176.52 1j9j h ASP 145 N 0.72 0.51 -0.64 1.72 1.82 -1.11 -3.23 116.42 116.21 1j9j h ASP 145 Ca 0.55 -0.39 -0.08 0.00 -0.39 0.00 0.00 57.03 56.73 1j9j h ASP 145 Cb 0.91 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.74 1j9j h ASP 145 CO -0.33 1.17 0.11 0.15 -1.61 0.00 0.00 179.24 178.73 1j9j h PHE 146 N 0.24 1.13 0.00 0.28 3.57 0.82 -2.69 116.94 120.29 1j9j h PHE 146 Ca -0.06 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 1j9j h PHE 146 Cb 1.50 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1j9j h PHE 146 CO 0.05 0.95 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.95 1j9j h LEU 147 N 0.98 0.00 0.00 0.59 3.38 -0.91 -0.71 115.31 118.64 1j9j h LEU 147 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1j9j h LEU 147 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1j9j h LEU 147 CO 0.01 0.07 -0.32 0.29 0.09 0.00 0.00 178.44 178.58 1j9j n LYS 148 N -3.57 0.20 0.00 1.13 5.02 -1.02 -4.40 118.16 115.52 1j9j n LYS 148 Ca -0.02 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1j9j n LYS 148 Cb 0.18 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1j9j n LYS 148 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1j9j n GLU 149 N -1.99 1.42 -2.59 1.97 1.02 -0.87 -5.06 120.64 114.55 1j9j n GLU 149 Ca 0.05 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.79 1j9j n GLU 149 Cb 0.41 -0.93 -0.05 0.00 -0.02 0.00 0.00 31.44 30.85 1j9j n GLU 149 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1j9j s PHE 150 N -1.75 3.67 -0.52 -0.32 5.36 -0.33 -5.01 117.98 119.08 1j9j s PHE 150 Ca 0.00 1.77 -0.13 0.00 -0.96 0.00 0.00 56.93 57.61 1j9j s PHE 150 Cb 0.00 -3.15 0.13 0.00 -0.34 0.00 0.00 43.02 39.66 1j9j s PHE 150 CO 0.00 -0.20 0.44 0.34 -1.46 0.00 0.00 175.22 174.34 1j9j s ASP 151 N -1.11 5.97 0.41 6.13 2.15 -1.26 -4.94 116.67 124.02 1j9j s ASP 151 Ca 0.46 -1.90 0.28 0.00 0.43 0.00 0.00 52.55 51.82 1j9j s ASP 151 Cb -0.28 -2.11 1.49 0.00 -0.30 0.00 0.00 42.92 41.72 1j9j s ASP 151 CO 0.35 -0.77 1.86 -0.26 -0.17 0.00 0.00 175.17 176.19 1j9j h PHE 152 N 8.62 0.00 0.00 -5.34 -1.00 -1.98 -1.93 116.94 115.31 1j9j h PHE 152 Ca -0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.54 1j9j h PHE 152 Cb 1.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1j9j h PHE 152 CO 0.70 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 176.27 1j9j n SER 153 N -2.50 0.61 0.18 2.17 3.41 -1.26 -1.49 113.62 114.74 1j9j n SER 153 Ca -0.01 0.70 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 1j9j n SER 153 Cb 0.07 -0.81 0.42 0.00 -0.26 0.00 0.00 64.21 63.63 1j9j n SER 153 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1j9j h LEU 154 N 0.00 0.00 -9.51 1.04 3.38 -1.78 -3.44 115.31 105.00 1j9j h LEU 154 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1j9j h LEU 154 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1j9j h LEU 154 CO 0.00 0.00 0.49 -0.76 0.09 0.00 0.00 178.44 178.26 1j9j s LEU 155 N -5.38 4.40 0.81 1.67 1.02 -0.56 -5.03 118.68 115.60 1j9j s LEU 155 Ca 0.06 1.94 -0.12 0.00 0.02 0.00 0.00 54.13 56.04 1j9j s LEU 155 Cb 0.09 -3.58 0.08 0.00 0.02 0.00 0.00 46.19 42.79 1j9j s LEU 155 CO 0.56 -0.36 1.11 -1.81 0.02 0.00 0.00 176.35 175.88 1j9j s ASP 156 N 0.77 4.45 0.56 2.29 -0.00 -1.26 -4.96 116.67 118.52 1j9j s ASP 156 Ca 0.55 1.14 -0.21 0.00 -0.00 0.00 0.00 52.55 54.03 1j9j s ASP 156 Cb -0.27 -1.83 -0.04 0.00 -0.00 0.00 0.00 42.92 40.77 1j9j s ASP 156 CO 0.30 -1.98 1.33 -0.81 -0.00 0.00 0.00 175.17 174.01 1j9j n PRO 157 N -3.42 1.55 -2.18 8.23 -0.04 -1.26 -2.50 135.00 135.38 1j9j n PRO 157 Ca 0.07 0.58 -0.20 0.00 -0.04 0.00 0.00 63.50 63.91 1j9j n PRO 157 Cb 0.58 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 1j9j n PRO 157 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j9j n PHE 158 N -1.21 -0.79 -5.05 0.54 3.01 -1.25 -4.98 117.46 107.72 1j9j n PHE 158 Ca 0.11 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.25 1j9j n PHE 158 Cb 0.45 -3.69 -0.16 0.00 -0.01 0.00 0.00 39.48 36.08 1j9j n PHE 158 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1j9j s THR 159 N -2.90 2.49 0.44 4.37 2.01 -1.04 -4.09 115.64 116.92 1j9j s THR 159 Ca 0.00 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.16 1j9j s THR 159 Cb 0.00 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1j9j s THR 159 CO 0.00 0.55 0.02 0.00 -0.69 0.00 0.00 174.62 174.50 1j9j s MET 160 N 0.13 2.03 -0.14 4.92 0.23 -0.56 -4.70 119.30 121.21 1j9j s MET 160 Ca -0.10 -2.22 0.01 0.00 -1.03 0.00 0.00 55.69 52.35 1j9j s MET 160 Cb -0.16 -1.46 -0.00 0.00 -1.53 0.00 0.00 34.83 31.68 1j9j s MET 160 CO 0.06 -0.22 -0.17 -0.51 -2.03 0.00 0.00 175.02 172.15 1j9j s LEU 161 N -3.75 2.39 -0.34 0.18 1.43 -0.84 -1.39 118.68 116.35 1j9j s LEU 161 Ca 0.22 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 1j9j s LEU 161 Cb 0.06 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1j9j s LEU 161 CO 0.11 0.10 0.22 0.21 0.23 0.00 0.00 176.35 177.23 1j9j s ASN 162 N 0.71 5.92 -0.11 2.29 2.47 0.49 -1.42 114.94 125.29 1j9j s ASN 162 Ca -0.08 -0.55 0.01 0.00 0.42 0.00 0.00 52.86 52.66 1j9j s ASN 162 Cb -0.16 -2.10 -0.02 0.00 -1.45 0.00 0.00 41.25 37.53 1j9j s ASN 162 CO 0.01 -0.26 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.36 1j9j s ILE 163 N 1.68 3.01 -0.15 -5.21 1.01 0.92 -1.32 121.20 121.14 1j9j s ILE 163 Ca 0.05 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1j9j s ILE 163 Cb -0.18 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.08 1j9j s ILE 163 CO 0.09 0.54 -0.15 0.20 0.00 0.00 0.00 174.94 175.62 1j9j s ASN 164 N 0.10 2.71 -0.19 3.58 -0.87 -0.62 -1.35 114.94 118.30 1j9j s ASN 164 Ca -0.06 -0.50 -0.08 0.00 -1.57 0.00 0.00 52.86 50.65 1j9j s ASN 164 Cb -0.15 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.25 39.83 1j9j s ASN 164 CO 0.05 -0.03 0.08 -0.69 -2.57 0.00 0.00 177.10 173.93 1j9j s VAL 165 N 1.37 4.89 0.61 1.60 1.01 0.03 -1.61 120.40 128.29 1j9j s VAL 165 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 1j9j s VAL 165 Cb -0.13 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1j9j s VAL 165 CO -0.09 0.45 1.25 -2.16 0.00 0.00 0.00 175.10 174.55 1j9j s PRO 166 N 0.46 2.85 0.35 2.72 0.04 -1.26 -0.71 135.00 139.44 1j9j s PRO 166 Ca 0.04 1.96 0.19 0.00 0.04 0.00 0.00 61.00 63.22 1j9j s PRO 166 Cb -0.12 -1.94 0.20 0.00 0.04 0.00 0.00 34.50 32.68 1j9j s PRO 166 CO 0.00 -1.33 1.52 0.00 0.04 0.00 0.00 177.00 177.23 1j9j h ALA 167 N 0.85 0.82 -3.00 8.56 0.00 -1.91 -3.45 119.26 121.13 1j9j h ALA 167 Ca -0.51 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1j9j h ALA 167 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j9j h ALA 167 CO 0.55 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.57 1j9j n GLY 168 N 1.15 0.94 3.77 0.00 0.00 -1.26 -4.65 105.19 105.13 1j9j n GLY 168 Ca 0.03 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 1j9j n GLY 168 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9j s GLU 169 N 2.21 4.25 -0.45 1.61 2.12 -1.26 -5.00 118.70 122.18 1j9j s GLU 169 Ca 0.00 1.79 -0.08 0.00 0.36 0.00 0.00 54.97 57.05 1j9j s GLU 169 Cb 0.00 -2.81 0.11 0.00 0.26 0.00 0.00 34.13 31.69 1j9j s GLU 169 CO 0.00 -0.14 0.30 0.42 -0.54 0.00 0.00 175.26 175.30 1j9j s ILE 170 N -1.38 4.02 -0.05 -3.70 1.09 -1.26 -4.71 121.20 115.22 1j9j s ILE 170 Ca 0.53 -1.78 0.22 0.00 -1.10 0.00 0.00 60.65 58.53 1j9j s ILE 170 Cb -0.30 -3.63 0.22 0.00 -1.06 0.00 0.00 42.46 37.68 1j9j s ILE 170 CO 0.38 -0.71 1.70 0.11 -0.10 0.00 0.00 174.94 176.32 1j9j h LYS 171 N 8.36 0.00 0.00 2.79 1.57 -1.00 -3.49 116.57 124.80 1j9j h LYS 171 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1j9j h LYS 171 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1j9j h LYS 171 CO 0.81 0.24 0.00 0.41 -0.57 0.00 0.00 179.45 180.34 1j9j n GLY 172 N 0.60 -0.59 3.30 3.86 0.00 -1.25 -5.03 105.19 106.08 1j9j n GLY 172 Ca 0.01 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 1j9j n GLY 172 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1j9j s TRP 173 N -3.00 1.60 -0.11 1.61 -2.14 -1.26 -0.56 118.94 115.07 1j9j s TRP 173 Ca 0.00 -0.55 -0.09 0.00 2.66 0.00 0.00 56.10 58.13 1j9j s TRP 173 Cb 0.00 -0.80 0.03 0.00 -3.10 0.00 0.00 33.47 29.61 1j9j s TRP 173 CO 0.00 0.25 0.28 1.03 -2.66 0.00 0.00 176.95 175.85 1j9j s ARG 174 N -3.02 0.31 -0.29 3.25 1.81 0.43 -4.85 118.95 116.60 1j9j s ARG 174 Ca 0.15 0.45 -0.24 0.00 -1.72 0.00 0.00 55.73 54.36 1j9j s ARG 174 Cb -0.04 0.09 0.00 0.00 -0.45 0.00 0.00 34.95 34.55 1j9j s ARG 174 CO 0.05 -0.07 0.83 -0.06 -0.68 0.00 0.00 175.30 175.37 1j9j s PHE 175 N 0.46 3.23 0.45 -0.53 0.40 -1.26 -1.13 117.98 119.61 1j9j s PHE 175 Ca -0.03 0.97 0.05 0.00 -0.60 0.00 0.00 56.93 57.33 1j9j s PHE 175 Cb -0.04 -3.21 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 1j9j s PHE 175 CO -0.02 -0.53 0.10 0.95 0.70 0.00 0.00 175.22 176.42 1j9j s THR 176 N 3.00 1.84 0.27 0.64 -4.23 -0.02 -4.91 115.64 112.22 1j9j s THR 176 Ca 0.35 -1.85 0.09 0.00 -1.18 0.00 0.00 61.69 59.10 1j9j s THR 176 Cb -0.14 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 1j9j s THR 176 CO 0.11 0.00 0.05 0.00 -0.54 0.00 0.00 174.62 174.24 1j9j s ARG 177 N -3.88 2.43 0.35 3.99 1.70 -0.82 -4.21 118.95 118.52 1j9j s ARG 177 Ca 0.29 -1.35 -0.27 0.00 -0.47 0.00 0.00 55.73 53.94 1j9j s ARG 177 Cb 0.05 -2.25 -0.09 0.00 -0.57 0.00 0.00 34.95 32.09 1j9j s ARG 177 CO 0.16 0.36 1.19 -1.14 -1.08 0.00 0.00 175.30 174.79 1j9j s GLN 178 N -3.72 4.27 0.66 3.89 0.74 -1.26 -1.48 119.66 122.76 1j9j s GLN 178 Ca 0.32 1.92 0.05 0.00 0.05 0.00 0.00 55.36 57.70 1j9j s GLN 178 Cb -0.07 -2.90 0.11 0.00 1.10 0.00 0.00 33.01 31.26 1j9j s GLN 178 CO 0.21 -0.16 0.90 -1.54 -0.55 0.00 0.00 175.29 174.16 1j9j s SER 179 N -0.91 4.68 -0.21 6.67 1.04 -1.26 -4.79 113.70 118.93 1j9j s SER 179 Ca 0.52 -0.65 0.15 0.00 0.48 0.00 0.00 55.95 56.46 1j9j s SER 179 Cb -0.33 0.21 0.69 0.00 0.10 0.00 0.00 66.02 66.69 1j9j s SER 179 CO 0.43 -1.64 1.60 -2.11 0.98 0.00 0.00 173.24 172.50 1j9j n ARG 180 N -2.56 4.00 -1.63 4.02 1.85 -1.26 -3.94 116.66 117.14 1j9j n ARG 180 Ca 0.16 -3.01 -0.47 0.00 -1.00 0.00 0.00 57.85 53.53 1j9j n ARG 180 Cb 0.61 -2.07 -0.03 0.00 -1.05 0.00 0.00 32.46 29.92 1j9j n ARG 180 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1j9j n ARG 181 N 0.14 1.66 -0.43 2.89 0.63 -1.26 -4.62 116.66 115.67 1j9j n ARG 181 Ca 0.25 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1j9j n ARG 181 Cb 1.05 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.77 1j9j n ARG 181 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1j9j n ARG 182 N 2.05 0.00 -4.22 -0.14 1.85 -1.15 -1.24 116.66 113.81 1j9j n ARG 182 Ca 0.14 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.83 1j9j n ARG 182 Cb 0.28 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.58 1j9j n ARG 182 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1j9j s TRP 183 N -4.05 1.24 -0.67 2.89 0.52 -1.26 -0.80 118.94 116.82 1j9j s TRP 183 Ca 0.00 -0.64 -0.17 0.00 0.02 0.00 0.00 56.10 55.31 1j9j s TRP 183 Cb 0.00 -0.65 0.14 0.00 -1.15 0.00 0.00 33.47 31.80 1j9j s TRP 183 CO 0.00 0.08 0.72 -0.80 0.02 0.00 0.00 176.95 176.97 1j9j s ASN 184 N -2.62 6.36 0.72 2.95 0.02 0.19 -4.91 114.94 117.64 1j9j s ASN 184 Ca 0.09 -1.84 -0.11 0.00 -1.02 0.00 0.00 52.86 49.98 1j9j s ASN 184 Cb -0.02 -2.27 0.02 0.00 0.02 0.00 0.00 41.25 38.99 1j9j s ASN 184 CO 0.01 -0.94 1.07 -1.81 0.02 0.00 0.00 177.10 175.45 1j9j s ASP 185 N 3.32 5.16 0.00 -1.22 -0.00 -1.26 -2.20 116.67 120.47 1j9j s ASP 185 Ca 0.13 1.60 0.00 0.00 -0.00 0.00 0.00 52.55 54.28 1j9j s ASP 185 Cb -0.20 -2.44 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 1j9j s ASP 185 CO 0.01 -1.58 0.00 0.00 -0.00 0.00 0.00 175.17 173.59 1j9j n TYR 186 N -3.22 0.00 -4.84 4.23 0.18 -1.00 -4.95 117.16 107.57 1j9j n TYR 186 Ca 0.08 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.55 1j9j n TYR 186 Cb 0.54 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.36 1j9j n TYR 186 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1j9j s PHE 187 N -2.00 2.44 -0.20 -3.48 0.40 -1.26 -1.01 117.98 112.87 1j9j s PHE 187 Ca 0.00 -0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 55.89 1j9j s PHE 187 Cb 0.00 -1.44 -0.05 0.00 0.51 0.00 0.00 43.02 42.04 1j9j s PHE 187 CO 0.00 0.17 0.14 -2.00 0.70 0.00 0.00 175.22 174.23 1j9j s GLU 188 N -1.23 4.18 -0.07 0.44 2.12 -0.60 -4.92 118.70 118.63 1j9j s GLU 188 Ca 0.13 -0.20 -0.14 0.00 0.36 0.00 0.00 54.97 55.12 1j9j s GLU 188 Cb -0.10 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1j9j s GLU 188 CO 0.03 0.28 0.35 -2.00 -0.54 0.00 0.00 175.26 173.37 1j9j s GLU 189 N 0.42 3.96 0.18 4.30 2.12 -1.26 -1.85 118.70 126.57 1j9j s GLU 189 Ca 0.08 0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.65 1j9j s GLU 189 Cb -0.11 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1j9j s GLU 189 CO -0.01 0.55 0.14 1.03 -0.54 0.00 0.00 175.26 176.43 1j9j s ARG 190 N -0.55 1.14 -0.05 4.30 0.52 -0.87 -5.00 118.95 118.43 1j9j s ARG 190 Ca 0.21 -1.52 0.05 0.00 -0.52 0.00 0.00 55.73 53.95 1j9j s ARG 190 Cb -0.15 0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.60 1j9j s ARG 190 CO 0.09 -0.37 -0.21 0.08 0.02 0.00 0.00 175.30 174.92 1j9j s VAL 191 N -4.10 1.72 0.79 3.52 1.01 -1.26 -0.83 120.40 121.24 1j9j s VAL 191 Ca 0.32 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1j9j s VAL 191 Cb 0.06 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 35.04 1j9j s VAL 191 CO 0.08 0.49 1.14 -0.94 0.00 0.00 0.00 175.10 175.87 1j9j s SER 192 N -0.02 4.68 0.65 3.32 1.04 0.55 -4.93 113.70 118.99 1j9j s SER 192 Ca -0.05 0.96 0.40 0.00 0.48 0.00 0.00 55.95 57.74 1j9j s SER 192 Cb -0.13 -1.57 2.23 0.00 0.10 0.00 0.00 66.02 66.65 1j9j s SER 192 CO 0.03 -1.81 2.31 -0.65 0.98 0.00 0.00 173.24 174.11 1j9j h PRO 193 N -0.99 0.00 -0.63 4.02 0.11 -2.01 -1.63 132.00 130.88 1j9j h PRO 193 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1j9j h PRO 193 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1j9j h PRO 193 CO 0.64 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.40 1j9j n PHE 194 N -3.27 1.73 -0.73 0.65 -1.74 -1.26 -4.95 117.46 107.89 1j9j n PHE 194 Ca -0.03 -0.64 0.00 0.00 -0.56 0.00 0.00 57.45 56.23 1j9j n PHE 194 Cb 0.10 -0.37 0.00 0.00 1.52 0.00 0.00 39.48 40.73 1j9j n PHE 194 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1j9j n GLY 195 N 0.86 1.29 3.72 4.97 0.00 -0.61 -5.03 105.19 110.39 1j9j n GLY 195 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1j9j n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9j s GLU 196 N -0.10 4.30 0.41 1.61 2.12 -1.26 -4.79 118.70 120.99 1j9j s GLU 196 Ca 0.00 0.30 -0.20 0.00 0.36 0.00 0.00 54.97 55.43 1j9j s GLU 196 Cb 0.00 -3.44 -0.11 0.00 0.26 0.00 0.00 34.13 30.84 1j9j s GLU 196 CO 0.00 0.17 0.91 -1.59 -0.54 0.00 0.00 175.26 174.21 1j9j s LYS 197 N 0.62 4.19 0.19 4.30 -2.85 -1.26 -0.33 119.74 124.59 1j9j s LYS 197 Ca 0.22 1.03 0.03 0.00 -1.00 0.00 0.00 55.97 56.25 1j9j s LYS 197 Cb -0.14 -2.24 -0.05 0.00 -2.06 0.00 0.00 37.83 33.34 1j9j s LYS 197 CO 0.08 0.01 -0.01 1.52 0.10 0.00 0.00 175.35 177.05 1j9j s TYR 198 N -2.13 1.33 -0.01 1.78 -0.85 -0.01 -4.90 117.35 112.56 1j9j s TYR 198 Ca 0.60 -0.97 0.07 0.00 -0.52 0.00 0.00 57.07 56.25 1j9j s TYR 198 Cb -0.09 -0.75 -0.02 0.00 0.38 0.00 0.00 41.96 41.47 1j9j s TYR 198 CO 0.14 -0.13 -0.21 0.71 -1.52 0.00 0.00 175.55 174.54 1j9j s TYR 199 N -3.55 1.87 -0.20 -3.49 1.51 -1.26 -2.04 117.35 110.18 1j9j s TYR 199 Ca 0.25 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.90 1j9j s TYR 199 Cb 0.06 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.70 1j9j s TYR 199 CO 0.05 -0.01 -0.01 -1.58 -1.11 0.00 0.00 175.55 172.89 1j9j s TRP 200 N -0.55 3.02 0.22 2.71 0.23 -0.77 -4.95 118.94 118.85 1j9j s TRP 200 Ca 0.08 -0.52 -0.30 0.00 -2.03 0.00 0.00 56.10 53.33 1j9j s TRP 200 Cb -0.08 -2.08 -0.08 0.00 0.03 0.00 0.00 33.47 31.25 1j9j s TRP 200 CO -0.00 -0.28 1.09 1.41 0.96 0.00 0.00 176.95 180.13 1j9j s MET 201 N 1.05 4.62 0.26 4.98 -2.45 -1.26 -1.56 119.30 124.94 1j9j s MET 201 Ca 0.02 1.74 -0.03 0.00 -1.25 0.00 0.00 55.69 56.16 1j9j s MET 201 Cb -0.14 -3.25 -0.02 0.00 1.25 0.00 0.00 34.83 32.67 1j9j s MET 201 CO 0.01 0.15 0.31 -1.64 1.05 0.00 0.00 175.02 174.90 1j9j s MET 202 N -0.79 1.51 -0.11 4.11 -1.94 -0.18 -4.94 119.30 116.97 1j9j s MET 202 Ca 0.47 -1.60 -0.33 0.00 -1.71 0.00 0.00 55.69 52.52 1j9j s MET 202 Cb -0.30 0.37 0.14 0.00 2.01 0.00 0.00 34.83 37.05 1j9j s MET 202 CO 0.37 -0.57 1.40 0.20 -0.01 0.00 0.00 175.02 176.40 1j9j s GLY 203 N -3.16 -0.44 -0.05 -0.03 0.00 -1.26 -2.37 107.32 100.01 1j9j s GLY 203 Ca 0.33 1.06 0.03 0.00 0.00 0.00 0.00 44.72 46.14 1j9j s GLY 203 CO 0.15 0.24 -0.13 -0.54 0.00 0.00 0.00 173.10 172.81 1j9j s GLU 204 N -2.11 1.55 0.50 2.90 0.41 -0.93 -4.94 118.70 116.07 1j9j s GLU 204 Ca 0.14 -0.46 -0.23 0.00 -0.41 0.00 0.00 54.97 54.02 1j9j s GLU 204 Cb 0.06 -1.34 -0.06 0.00 -1.78 0.00 0.00 34.13 31.01 1j9j s GLU 204 CO -0.06 0.12 1.26 0.08 -0.49 0.00 0.00 175.26 176.18 1j9j s VAL 205 N 0.33 2.60 -0.24 2.63 1.01 -1.26 -0.64 120.40 124.84 1j9j s VAL 205 Ca -0.08 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1j9j s VAL 205 Cb -0.13 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.05 1j9j s VAL 205 CO 0.02 -0.00 -0.10 -0.63 0.00 0.00 0.00 175.10 174.39 1j9j s ILE 206 N -1.42 2.53 -0.40 2.22 1.01 0.02 -4.82 121.20 120.33 1j9j s ILE 206 Ca 0.67 -1.17 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1j9j s ILE 206 Cb -0.35 -2.29 0.11 0.00 0.01 0.00 0.00 42.46 39.94 1j9j s ILE 206 CO 0.41 0.21 0.13 -1.61 0.00 0.00 0.00 174.94 174.09 1j9j s GLU 207 N 1.26 1.70 -0.05 2.79 2.02 -1.26 -2.94 118.70 122.21 1j9j s GLU 207 Ca -0.01 -2.10 0.14 0.00 0.02 0.00 0.00 54.97 53.02 1j9j s GLU 207 Cb -0.17 -3.29 0.26 0.00 0.10 0.00 0.00 34.13 31.04 1j9j s GLU 207 CO -0.06 -1.00 1.12 -0.40 0.02 0.00 0.00 175.26 174.93 1j9j n ASP 208 N 3.94 0.97 -4.69 -0.19 5.68 -1.26 -5.07 116.55 115.93 1j9j n ASP 208 Ca 0.04 -2.46 -0.42 0.00 -0.50 0.00 0.00 54.79 51.45 1j9j n ASP 208 Cb 0.39 -0.32 -0.03 0.00 -1.14 0.00 0.00 41.12 40.02 1j9j n ASP 208 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1j9j s ASP 209 N -1.98 7.19 0.00 -1.12 -1.08 -1.26 -4.92 116.67 113.50 1j9j s ASP 209 Ca 0.23 1.67 0.27 0.00 -0.52 0.00 0.00 52.55 54.20 1j9j s ASP 209 Cb 0.24 -2.56 0.79 0.00 -1.46 0.00 0.00 42.92 39.93 1j9j s ASP 209 CO -0.07 -0.46 1.60 -0.90 0.52 0.00 0.00 175.17 175.86 1j9j n ASP 210 N 4.82 0.42 -4.78 -0.34 5.75 -1.26 -4.86 116.55 116.30 1j9j n ASP 210 Ca 0.09 -0.16 -0.37 0.00 -0.01 0.00 0.00 54.79 54.34 1j9j n ASP 210 Cb 0.48 0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.53 1j9j n ASP 210 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1j9j s ARG 211 N -2.90 4.54 0.07 0.11 0.52 -1.26 -4.98 118.95 115.05 1j9j s ARG 211 Ca 0.15 1.34 0.24 0.00 -0.52 0.00 0.00 55.73 56.94 1j9j s ARG 211 Cb 0.18 -2.76 0.36 0.00 0.52 0.00 0.00 34.95 33.26 1j9j s ARG 211 CO 0.62 0.23 1.32 -0.40 0.02 0.00 0.00 175.30 177.09 1j9j n ASP 212 N 0.46 0.62 -2.01 0.23 3.85 -1.26 -4.27 116.55 114.17 1j9j n ASP 212 Ca 0.02 -0.02 -0.17 0.00 -0.71 0.00 0.00 54.79 53.92 1j9j n ASP 212 Cb 0.50 0.26 0.21 0.00 -1.35 0.00 0.00 41.12 40.74 1j9j n ASP 212 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1j9j n ASP 213 N -1.91 3.81 -4.90 -1.12 5.75 -1.26 -4.82 116.55 112.09 1j9j n ASP 213 Ca 0.04 -3.54 -0.28 0.00 -0.01 0.00 0.00 54.79 50.99 1j9j n ASP 213 Cb 0.41 -0.79 -0.02 0.00 -1.03 0.00 0.00 41.12 39.69 1j9j n ASP 213 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1j9j s VAL 214 N -3.22 4.91 0.16 2.12 -7.23 -1.26 -1.94 120.40 113.95 1j9j s VAL 214 Ca 0.55 0.24 -0.26 0.00 -1.81 0.00 0.00 61.98 60.70 1j9j s VAL 214 Cb 0.46 -3.79 0.03 0.00 0.56 0.00 0.00 36.38 33.63 1j9j s VAL 214 CO 0.10 -0.60 1.57 -2.24 -0.31 0.00 0.00 175.10 173.62 1j9j h ASP 215 N 0.92 -1.44 0.21 4.85 3.04 -1.57 -2.92 116.42 119.51 1j9j h ASP 215 Ca -0.47 0.23 -0.04 0.00 -3.24 0.00 0.00 57.03 53.51 1j9j h ASP 215 Cb 1.20 0.65 -0.01 0.00 -1.04 0.00 0.00 39.33 40.13 1j9j h ASP 215 CO 0.63 -0.34 -0.19 0.10 -2.04 0.00 0.00 179.24 177.39 1j9j h TYR 216 N -0.26 0.00 -0.28 4.15 -0.00 -1.96 -2.65 116.97 115.97 1j9j h TYR 216 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.78 1j9j h TYR 216 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.29 1j9j h TYR 216 CO -0.67 0.19 -0.30 0.87 -0.00 0.00 0.00 178.16 178.25 1j9j h LYS 217 N 0.00 0.58 -0.24 0.10 1.57 -1.87 -1.70 116.57 115.01 1j9j h LYS 217 Ca -0.00 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1j9j h LYS 217 Cb 0.35 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1j9j h LYS 217 CO 0.03 0.81 0.02 0.00 -0.57 0.00 0.00 179.45 179.73 1j9j h ALA 218 N 1.18 0.32 -0.78 3.86 0.00 -1.42 -2.70 119.26 119.71 1j9j h ALA 218 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1j9j h ALA 218 Cb 0.77 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1j9j h ALA 218 CO 0.06 0.02 0.38 0.28 0.00 0.00 0.00 179.25 180.00 1j9j h VAL 219 N 0.19 1.24 -0.08 0.00 2.07 -1.37 -0.98 116.25 117.32 1j9j h VAL 219 Ca 0.07 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1j9j h VAL 219 Cb 0.37 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1j9j h VAL 219 CO 0.01 0.29 -0.24 0.03 0.02 0.00 0.00 177.57 177.68 1j9j h ARG 220 N 1.10 0.14 -0.00 1.57 2.47 -1.22 -2.17 114.38 116.26 1j9j h ARG 220 Ca 0.27 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1j9j h ARG 220 Cb 0.10 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1j9j h ARG 220 CO -0.04 0.37 -0.01 0.39 0.56 0.00 0.00 179.97 181.25 1j9j n GLU 221 N -4.21 1.18 -0.56 0.04 1.02 -0.95 -4.90 120.64 112.25 1j9j n GLU 221 Ca -0.01 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 1j9j n GLU 221 Cb 0.33 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1j9j n GLU 221 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j9j n GLY 222 N 1.07 0.71 3.41 0.62 0.00 -0.82 -4.90 105.19 105.28 1j9j n GLY 222 Ca 0.22 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1j9j n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j9j s TYR 223 N -2.00 2.44 0.11 1.61 1.51 -0.41 -0.29 117.35 120.31 1j9j s TYR 223 Ca 0.00 -0.33 -0.31 0.00 -1.01 0.00 0.00 57.07 55.42 1j9j s TYR 223 Cb 0.00 -1.39 -0.07 0.00 -0.11 0.00 0.00 41.96 40.39 1j9j s TYR 223 CO 0.00 0.24 1.27 0.08 -1.11 0.00 0.00 175.55 176.03 1j9j s VAL 224 N -0.94 3.65 -0.21 0.71 1.01 0.28 -3.04 120.40 121.86 1j9j s VAL 224 Ca 0.14 1.22 -0.15 0.00 0.00 0.00 0.00 61.98 63.20 1j9j s VAL 224 Cb -0.10 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1j9j s VAL 224 CO 0.05 0.12 0.35 -0.55 0.00 0.00 0.00 175.10 175.06 1j9j s SER 225 N 0.87 6.37 -0.25 3.32 0.15 -0.64 -0.43 113.70 123.08 1j9j s SER 225 Ca 0.60 0.43 0.02 0.00 0.70 0.00 0.00 55.95 57.69 1j9j s SER 225 Cb -0.33 -2.20 0.07 0.00 -1.71 0.00 0.00 66.02 61.84 1j9j s SER 225 CO 0.31 -0.05 -0.05 -0.63 1.20 0.00 0.00 173.24 174.02 1j9j s ILE 226 N 1.26 1.74 -0.18 6.45 1.01 -0.28 -1.59 121.20 129.61 1j9j s ILE 226 Ca 0.16 -1.44 -0.02 0.00 0.00 0.00 0.00 60.65 59.35 1j9j s ILE 226 Cb -0.14 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 1j9j s ILE 226 CO 0.07 -0.15 -0.09 -0.89 0.00 0.00 0.00 174.94 173.88 1j9j s THR 227 N 1.28 3.17 -0.22 2.92 2.01 -0.43 -0.84 115.64 123.53 1j9j s THR 227 Ca -0.05 -0.58 -0.24 0.00 0.31 0.00 0.00 61.69 61.13 1j9j s THR 227 Cb -0.19 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 1j9j s THR 227 CO -0.07 0.47 0.78 -2.16 -0.69 0.00 0.00 174.62 172.96 1j9j s PRO 228 N 0.99 4.21 0.14 4.92 0.04 -1.26 -0.38 135.00 143.65 1j9j s PRO 228 Ca -0.01 0.88 0.07 0.00 0.04 0.00 0.00 61.00 61.98 1j9j s PRO 228 Cb -0.15 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1j9j s PRO 228 CO -0.01 -0.42 -0.15 0.96 0.04 0.00 0.00 177.00 177.42 1j9j s ILE 229 N 2.50 1.48 0.08 0.56 -4.36 -0.49 -4.97 121.20 116.00 1j9j s ILE 229 Ca 0.34 -1.81 -0.00 0.00 -0.26 0.00 0.00 60.65 58.92 1j9j s ILE 229 Cb -0.16 -1.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 1j9j s ILE 229 CO 0.09 -0.41 -0.02 -1.38 0.24 0.00 0.00 174.94 173.47 1j9j s HIS 230 N -2.20 0.68 -0.29 1.37 -3.43 -1.26 -1.49 115.29 108.66 1j9j s HIS 230 Ca 0.12 -1.08 -0.06 0.00 -0.80 0.00 0.00 55.06 53.24 1j9j s HIS 230 Cb -0.05 -0.44 -0.21 0.00 -1.43 0.00 0.00 32.58 30.45 1j9j s HIS 230 CO 0.04 -0.37 3.20 -0.35 -2.00 0.00 0.00 174.74 175.26 1j9j n PRO 231 N 0.03 2.09 -3.86 -0.38 -0.04 -1.26 -4.79 135.00 126.79 1j9j n PRO 231 Ca -0.12 -1.12 -0.26 0.00 -0.04 0.00 0.00 63.50 61.96 1j9j n PRO 231 Cb 0.62 -2.10 -0.17 0.00 -0.04 0.00 0.00 33.50 31.81 1j9j n PRO 231 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1j9j s PHE 232 N 1.45 1.31 -1.26 0.54 0.40 -1.26 -5.02 117.98 114.14 1j9j s PHE 232 Ca 0.61 -0.68 0.13 0.00 -0.60 0.00 0.00 56.93 56.38 1j9j s PHE 232 Cb 0.26 -1.14 0.29 0.00 0.51 0.00 0.00 43.02 42.94 1j9j s PHE 232 CO -0.01 -0.50 1.19 1.28 0.70 0.00 0.00 175.22 177.88 1j9j n LEU 233 N 4.98 2.81 -4.76 -0.37 4.32 -1.26 -5.03 117.00 117.69 1j9j n LEU 233 Ca -0.11 -1.71 -0.41 0.00 -0.02 0.00 0.00 56.01 53.76 1j9j n LEU 233 Cb 0.49 -0.20 -0.01 0.00 -1.62 0.00 0.00 43.42 42.09 1j9j n LEU 233 CO 0.15 0.66 1.22 -0.89 -1.22 0.00 0.00 177.39 177.31 1j9j s THR 234 N -1.03 2.07 -0.79 -5.08 2.01 -1.26 -4.92 115.64 106.64 1j9j s THR 234 Ca 0.24 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 1j9j s THR 234 Cb 0.13 -3.04 0.16 0.00 0.01 0.00 0.00 72.50 69.77 1j9j s THR 234 CO 0.18 0.01 0.86 0.21 -0.69 0.00 0.00 174.62 175.19 1j9j s ASN 235 N 0.35 6.57 0.18 3.53 3.84 -1.26 -4.91 114.94 123.24 1j9j s ASN 235 Ca 0.61 -2.16 -0.14 0.00 0.21 0.00 0.00 52.86 51.37 1j9j s ASN 235 Cb -0.47 -2.29 0.16 0.00 -0.55 0.00 0.00 41.25 38.09 1j9j s ASN 235 CO 0.51 -0.86 1.71 -0.33 -2.79 0.00 0.00 177.10 175.33 1j9j h GLU 236 N 8.48 0.17 -0.36 0.43 4.39 -1.99 -1.43 114.58 124.27 1j9j h GLU 236 Ca 0.01 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1j9j h GLU 236 Cb 1.05 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.61 1j9j h GLU 236 CO 0.96 0.11 0.05 0.37 -1.16 0.00 0.00 179.01 179.34 1j9j h GLN 237 N 0.17 0.16 -0.47 2.33 4.15 -2.00 -1.52 115.11 117.92 1j9j h GLN 237 Ca 0.23 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.53 1j9j h GLN 237 Cb 0.31 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1j9j h GLN 237 CO -0.33 0.11 -0.14 0.00 -1.93 0.00 0.00 178.83 176.54 1j9j h LEU 239 N 0.79 0.87 -1.08 0.00 5.85 -0.78 -1.23 115.31 119.74 1j9j h LEU 239 Ca 0.12 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1j9j h LEU 239 Cb 0.66 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1j9j h LEU 239 CO 0.05 0.64 0.09 0.11 -0.34 0.00 0.00 178.44 178.99 1j9j h LYS 240 N 1.02 0.74 -0.13 1.25 6.56 -1.16 -2.53 116.57 122.33 1j9j h LYS 240 Ca 0.28 -0.15 -0.04 0.00 -1.06 0.00 0.00 60.65 59.67 1j9j h LYS 240 Cb -0.11 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 31.44 1j9j h LYS 240 CO -0.06 0.69 -0.07 -0.22 -2.06 0.00 0.00 179.45 177.73 1j9j h LYS 241 N 0.72 0.28 -0.71 3.15 3.64 -1.17 -1.73 116.57 120.74 1j9j h LYS 241 Ca 0.16 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1j9j h LYS 241 Cb 0.31 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1j9j h LYS 241 CO 0.00 0.62 0.47 -0.07 -2.27 0.00 0.00 179.45 178.21 1j9j h LEU 242 N -0.08 0.78 -0.04 5.20 3.38 -1.14 -1.86 115.31 121.55 1j9j h LEU 242 Ca 0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1j9j h LEU 242 Cb 0.55 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1j9j h LEU 242 CO 0.02 0.55 -0.24 0.03 0.09 0.00 0.00 178.44 178.90 1j9j h ARG 243 N 0.92 0.24 0.00 1.13 3.08 -1.43 -1.52 114.38 116.79 1j9j h ARG 243 Ca 0.27 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1j9j h ARG 243 Cb -0.03 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1j9j h ARG 243 CO -0.07 0.85 0.00 0.93 -1.07 0.00 0.00 179.97 180.61 1j9j h GLU 244 N -0.32 0.00 0.00 0.04 5.08 -1.04 -2.85 114.58 115.49 1j9j h GLU 244 Ca -0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1j9j h GLU 244 Cb 0.90 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1j9j h GLU 244 CO 0.05 0.00 -1.29 0.28 -1.00 0.00 0.00 179.01 177.05 1j9j n VAL 245 N -2.60 1.50 0.00 3.13 0.31 -0.72 -4.98 118.33 114.97 1j9j n VAL 245 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1j9j n VAL 245 Cb 0.06 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 30.85 1j9j n VAL 245 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1j9j n TYR 246 N -4.45 0.00 -0.21 3.52 4.02 -0.58 -5.11 117.16 114.35 1j9j n TYR 246 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1j9j n TYR 246 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 1j9j n TYR 246 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60