#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw9 s PRO 3 N 0.00 3.58 0.43 0.00 0.02 -1.26 -4.75 135.00 133.02 1aw9 s PRO 3 Ca 0.00 2.21 -0.24 0.00 0.02 0.00 0.00 61.00 62.99 1aw9 s PRO 3 Cb 0.00 -4.26 -0.08 0.00 0.02 0.00 0.00 34.50 30.18 1aw9 s PRO 3 CO 0.00 -1.59 1.22 -0.51 -0.33 0.00 0.00 177.00 175.79 1aw9 s LEU 4 N 6.54 4.11 -0.25 -5.54 1.02 0.30 -4.83 118.68 120.04 1aw9 s LEU 4 Ca 0.93 2.45 -0.07 0.00 0.02 0.00 0.00 54.13 57.46 1aw9 s LEU 4 Cb -0.36 -4.08 -0.02 0.00 0.02 0.00 0.00 46.19 41.75 1aw9 s LEU 4 CO 0.37 -0.87 0.05 -0.54 0.02 0.00 0.00 176.35 175.38 1aw9 s LYS 5 N -2.46 3.51 -0.37 1.70 1.02 -1.17 -0.65 119.74 121.32 1aw9 s LYS 5 Ca 0.60 -0.57 -0.09 0.00 0.02 0.00 0.00 55.97 55.93 1aw9 s LYS 5 Cb -0.33 -3.27 0.04 0.00 -0.52 0.00 0.00 37.83 33.75 1aw9 s LYS 5 CO 0.41 -0.23 0.17 -1.17 -0.92 0.00 0.00 175.35 173.61 1aw9 s LEU 6 N 1.57 4.62 -0.21 3.17 2.96 0.17 -1.36 118.68 129.60 1aw9 s LEU 6 Ca 0.06 -1.12 -0.25 0.00 -0.22 0.00 0.00 54.13 52.59 1aw9 s LEU 6 Cb -0.15 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 1aw9 s LEU 6 CO 0.02 -0.38 0.84 -0.31 -1.32 0.00 0.00 176.35 175.20 1aw9 s TYR 7 N 1.48 3.36 0.00 5.38 2.02 -0.18 0.12 117.35 129.52 1aw9 s TYR 7 Ca 0.01 1.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 1aw9 s TYR 7 Cb -0.20 -3.05 0.00 0.00 -0.40 0.00 0.00 41.96 38.32 1aw9 s TYR 7 CO 0.05 -0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.10 1aw9 n GLY 8 N 3.60 1.53 3.72 0.71 0.00 0.91 -2.95 105.19 112.70 1aw9 n GLY 8 Ca 0.05 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1aw9 n GLY 8 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aw9 s MET 9 N -1.92 4.60 0.23 1.61 -1.94 -1.26 -3.40 119.30 117.22 1aw9 s MET 9 Ca 0.00 1.43 0.17 0.00 -1.71 0.00 0.00 55.69 55.59 1aw9 s MET 9 Cb 0.00 -3.43 0.88 0.00 2.01 0.00 0.00 34.83 34.29 1aw9 s MET 9 CO 0.00 0.03 1.53 -0.35 -0.01 0.00 0.00 175.02 176.22 1aw9 n PRO 10 N 3.57 0.11 0.11 2.03 -0.04 -1.26 -2.25 135.00 137.27 1aw9 n PRO 10 Ca 0.05 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.17 1aw9 n PRO 10 Cb 0.50 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1aw9 n PRO 10 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1aw9 h LEU 11 N 0.00 0.00 -9.26 1.53 3.38 -1.95 -3.43 115.31 105.58 1aw9 h LEU 11 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1aw9 h LEU 11 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1aw9 h LEU 11 CO 0.00 0.01 1.08 -0.55 0.09 0.00 0.00 178.44 179.07 1aw9 s SER 12 N -5.40 6.68 0.64 -0.43 0.15 -0.96 -4.88 113.70 109.51 1aw9 s SER 12 Ca -0.00 2.22 0.35 0.00 0.70 0.00 0.00 55.95 59.22 1aw9 s SER 12 Cb 0.09 -2.53 1.96 0.00 -1.71 0.00 0.00 66.02 63.83 1aw9 s SER 12 CO 0.79 -0.92 2.16 -0.65 1.20 0.00 0.00 173.24 175.82 1aw9 h PRO 13 N 9.44 0.00 0.00 5.44 0.11 -1.89 0.36 132.00 145.46 1aw9 h PRO 13 Ca -0.39 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.59 1aw9 h PRO 13 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1aw9 h PRO 13 CO 0.95 0.00 -0.65 -0.91 -0.21 0.00 0.00 178.00 177.18 1aw9 h ASN 14 N 0.00 0.00 0.07 -2.05 2.35 -1.95 -0.85 115.58 113.15 1aw9 h ASN 14 Ca 0.03 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.55 1aw9 h ASN 14 Cb 0.34 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.73 1aw9 h ASN 14 CO -0.00 0.65 -0.91 0.58 -1.65 0.00 0.00 177.43 176.10 1aw9 h VAL 15 N 0.00 1.37 0.00 2.81 2.07 -0.64 -3.19 116.25 118.68 1aw9 h VAL 15 Ca -0.01 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 1aw9 h VAL 15 Cb 1.41 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1aw9 h VAL 15 CO 0.08 0.68 -0.06 0.58 0.02 0.00 0.00 177.57 178.88 1aw9 h VAL 16 N 0.04 1.01 -0.19 2.57 2.07 -1.05 -0.89 116.25 119.82 1aw9 h VAL 16 Ca -0.13 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1aw9 h VAL 16 Cb 1.63 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1aw9 h VAL 16 CO 0.18 0.06 -0.09 -0.09 0.02 0.00 0.00 177.57 177.64 1aw9 h ARG 17 N 0.00 0.29 0.13 1.57 2.43 -1.14 -0.38 114.38 117.29 1aw9 h ARG 17 Ca -0.00 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 1aw9 h ARG 17 Cb 0.10 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1aw9 h ARG 17 CO 0.01 0.39 -0.73 0.28 -1.51 0.00 0.00 179.97 178.42 1aw9 h VAL 18 N 0.28 1.55 -1.00 0.20 2.07 -1.25 -3.23 116.25 114.86 1aw9 h VAL 18 Ca 0.06 -2.52 0.11 0.00 0.82 0.00 0.00 66.70 65.17 1aw9 h VAL 18 Cb 0.34 3.23 -0.08 0.00 -1.52 0.00 0.00 31.29 33.25 1aw9 h VAL 18 CO 0.02 0.71 0.63 0.00 0.02 0.00 0.00 177.57 178.94 1aw9 h ALA 19 N 0.07 1.48 -0.14 1.67 0.00 -1.21 -0.44 119.26 120.69 1aw9 h ALA 19 Ca -0.13 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1aw9 h ALA 19 Cb 1.57 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1aw9 h ALA 19 CO 0.14 0.27 -0.33 1.15 0.00 0.00 0.00 179.25 180.48 1aw9 h THR 20 N 1.03 0.28 -0.12 0.00 2.02 -1.13 0.02 112.91 114.99 1aw9 h THR 20 Ca 0.48 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.57 1aw9 h THR 20 Cb 0.42 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1aw9 h THR 20 CO -0.25 0.00 -0.34 0.58 0.37 0.00 0.00 175.52 175.88 1aw9 h VAL 21 N -0.39 1.28 -0.43 3.16 2.07 -1.31 -2.57 116.25 118.07 1aw9 h VAL 21 Ca 0.10 -1.36 -0.12 0.00 0.82 0.00 0.00 66.70 66.15 1aw9 h VAL 21 Cb 0.55 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1aw9 h VAL 21 CO -0.36 0.41 -0.20 -0.07 0.02 0.00 0.00 177.57 177.36 1aw9 h LEU 22 N 0.22 0.86 -0.55 2.57 3.38 0.07 -2.57 115.31 119.30 1aw9 h LEU 22 Ca 0.03 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.54 1aw9 h LEU 22 Cb 0.72 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1aw9 h LEU 22 CO 0.05 1.04 -0.47 0.78 0.09 0.00 0.00 178.44 179.93 1aw9 h ASN 23 N 0.74 0.68 -0.38 -0.43 2.35 -0.92 -0.93 115.58 116.69 1aw9 h ASN 23 Ca 0.10 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.53 1aw9 h ASN 23 Cb 0.73 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1aw9 h ASN 23 CO 0.06 1.05 0.23 -0.33 -1.65 0.00 0.00 177.43 176.78 1aw9 h GLU 24 N 0.50 0.45 0.00 0.81 4.39 -1.26 0.79 114.58 120.26 1aw9 h GLU 24 Ca 0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1aw9 h GLU 24 Cb 1.01 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1aw9 h GLU 24 CO 0.09 0.30 0.00 1.63 -1.16 0.00 0.00 179.01 179.87 1aw9 n LYS 25 N -4.87 0.38 -2.35 2.33 4.76 -0.98 -2.48 118.16 114.94 1aw9 n LYS 25 Ca 0.01 0.07 -0.19 0.00 -2.87 0.00 0.00 58.31 55.33 1aw9 n LYS 25 Cb 0.05 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.73 1aw9 n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aw9 n GLY 26 N 0.48 -0.34 3.86 0.72 0.00 0.27 -3.13 105.19 107.05 1aw9 n GLY 26 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1aw9 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aw9 s LEU 27 N -5.82 3.50 0.04 0.99 1.43 -0.45 -4.97 118.68 113.40 1aw9 s LEU 27 Ca 0.00 1.45 -0.16 0.00 -1.03 0.00 0.00 54.13 54.39 1aw9 s LEU 27 Cb 0.00 -4.43 -0.06 0.00 0.03 0.00 0.00 46.19 41.73 1aw9 s LEU 27 CO 0.00 -0.67 0.48 -1.81 0.23 0.00 0.00 176.35 174.58 1aw9 s ASP 28 N -3.52 6.91 0.01 2.29 1.01 -1.26 -4.72 116.67 117.39 1aw9 s ASP 28 Ca 0.56 1.09 -0.28 0.00 0.71 0.00 0.00 52.55 54.63 1aw9 s ASP 28 Cb -0.10 -2.30 0.10 0.00 1.01 0.00 0.00 42.92 41.63 1aw9 s ASP 28 CO 0.40 0.28 0.91 0.72 0.21 0.00 0.00 175.17 177.69 1aw9 s PHE 29 N -1.13 -0.31 0.01 4.23 -0.71 -1.26 -0.54 117.98 118.27 1aw9 s PHE 29 Ca 0.27 0.16 0.05 0.00 -1.04 0.00 0.00 56.93 56.37 1aw9 s PHE 29 Cb -0.18 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 1aw9 s PHE 29 CO 0.16 -0.57 -0.15 -1.83 -1.34 0.00 0.00 175.22 171.49 1aw9 s GLU 30 N -3.12 1.14 -0.40 1.99 -1.05 0.17 -4.87 118.70 112.57 1aw9 s GLU 30 Ca 0.06 -0.64 -0.18 0.00 -0.15 0.00 0.00 54.97 54.06 1aw9 s GLU 30 Cb -0.01 -1.14 0.01 0.00 -0.44 0.00 0.00 34.13 32.56 1aw9 s GLU 30 CO -0.08 0.30 0.50 0.42 0.95 0.00 0.00 175.26 177.35 1aw9 s ILE 31 N -0.54 5.01 -0.36 1.83 1.01 -1.26 -0.66 121.20 126.23 1aw9 s ILE 31 Ca 0.05 -0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 1aw9 s ILE 31 Cb -0.07 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.35 1aw9 s ILE 31 CO 0.00 -0.40 0.35 -0.69 0.00 0.00 0.00 174.94 174.20 1aw9 s VAL 32 N 2.35 5.19 0.28 2.92 1.01 0.33 -4.91 120.40 127.57 1aw9 s VAL 32 Ca 0.16 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1aw9 s VAL 32 Cb -0.16 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1aw9 s VAL 32 CO 0.15 -0.16 1.09 -2.84 0.00 0.00 0.00 175.10 173.33 1aw9 s PRO 33 N 1.94 4.63 0.08 2.72 0.02 -1.22 -0.06 135.00 143.11 1aw9 s PRO 33 Ca 0.10 1.77 0.05 0.00 0.02 0.00 0.00 61.00 62.93 1aw9 s PRO 33 Cb -0.17 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.16 1aw9 s PRO 33 CO 0.12 0.21 -0.13 0.14 -0.33 0.00 0.00 177.00 177.01 1aw9 s VAL 34 N -1.19 1.08 -0.45 3.83 -7.23 -1.26 -4.84 120.40 110.33 1aw9 s VAL 34 Ca 0.45 -1.37 -0.24 0.00 -1.81 0.00 0.00 61.98 59.02 1aw9 s VAL 34 Cb -0.31 -1.12 0.03 0.00 0.56 0.00 0.00 36.38 35.54 1aw9 s VAL 34 CO 0.40 -0.29 0.82 -0.62 -0.31 0.00 0.00 175.10 175.10 1aw9 s ASP 35 N -1.87 6.44 -0.03 4.85 -1.08 -1.26 -4.93 116.67 118.78 1aw9 s ASP 35 Ca -0.01 -0.04 -0.23 0.00 -0.52 0.00 0.00 52.55 51.75 1aw9 s ASP 35 Cb -0.09 -2.40 -0.17 0.00 -1.46 0.00 0.00 42.92 38.80 1aw9 s ASP 35 CO 0.02 -0.95 1.04 -0.07 0.52 0.00 0.00 175.17 175.73 1aw9 h LEU 36 N 10.24 -0.22 0.00 -1.34 4.07 -1.99 -3.43 115.31 122.65 1aw9 h LEU 36 Ca -0.25 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.40 1aw9 h LEU 36 Cb 1.08 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1aw9 h LEU 36 CO 0.98 0.27 0.00 0.35 -1.08 0.00 0.00 178.44 178.95 1aw9 n THR 37 N -4.98 0.00 0.00 0.22 -2.24 -1.26 -4.57 114.28 101.44 1aw9 n THR 37 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1aw9 n THR 37 Cb 0.26 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1aw9 n THR 37 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1aw9 n THR 38 N 0.00 0.00 0.44 4.28 -1.04 -1.26 -1.29 114.28 115.40 1aw9 n THR 38 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1aw9 n THR 38 Cb 0.00 -0.15 0.03 0.00 -1.82 0.00 0.00 70.33 68.39 1aw9 n THR 38 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1aw9 n GLY 39 N 0.15 -0.31 7.00 3.41 0.00 -1.26 -5.10 105.19 109.09 1aw9 n GLY 39 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1aw9 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aw9 n ALA 40 N 0.26 0.00 -1.56 4.61 0.00 -0.42 -4.83 120.51 118.58 1aw9 n ALA 40 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1aw9 n ALA 40 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1aw9 n ALA 40 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1aw9 n HIS 41 N -0.98 -1.35 0.00 0.00 1.44 -1.26 -4.35 115.22 108.72 1aw9 n HIS 41 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1aw9 n HIS 41 Cb 0.00 -0.96 0.00 0.00 0.12 0.00 0.00 29.99 29.15 1aw9 n HIS 41 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1aw9 n LYS 42 N -1.55 0.00 -3.24 -1.40 4.01 -1.26 -4.95 118.16 109.77 1aw9 n LYS 42 Ca 0.00 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.55 1aw9 n LYS 42 Cb 0.20 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.64 1aw9 n LYS 42 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1aw9 n GLN 43 N 0.00 0.77 -0.04 1.97 -0.00 -1.26 -5.11 117.38 113.72 1aw9 n GLN 43 Ca 0.00 -3.33 0.00 0.00 -0.00 0.00 0.00 57.00 53.67 1aw9 n GLN 43 Cb 0.00 -1.36 0.00 0.00 -0.00 0.00 0.00 30.24 28.88 1aw9 n GLN 43 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1aw9 n PRO 44 N 1.59 0.00 -0.09 2.61 -0.02 -1.26 -5.01 135.00 132.82 1aw9 n PRO 44 Ca 0.23 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.55 1aw9 n PRO 44 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.94 1aw9 n PRO 44 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1aw9 n ASP 45 N 0.26 1.67 0.28 2.55 2.03 -1.26 -4.47 116.55 117.61 1aw9 n ASP 45 Ca 0.00 0.28 0.16 0.00 0.52 0.00 0.00 54.79 55.76 1aw9 n ASP 45 Cb 0.00 -0.66 0.80 0.00 -0.72 0.00 0.00 41.12 40.54 1aw9 n ASP 45 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1aw9 h PHE 46 N -0.80 0.00 0.00 -0.67 3.57 -1.83 -2.79 116.94 114.42 1aw9 h PHE 46 Ca -0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1aw9 h PHE 46 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1aw9 h PHE 46 CO -0.20 0.06 0.21 1.28 -2.23 0.00 0.00 178.31 177.42 1aw9 n LEU 47 N -3.29 0.21 0.07 0.59 4.77 -1.26 0.84 117.00 118.94 1aw9 n LEU 47 Ca -0.01 0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 56.34 1aw9 n LEU 47 Cb 0.24 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 40.75 1aw9 n LEU 47 CO 0.27 -0.55 0.05 0.00 -1.33 0.00 0.00 177.39 175.83 1aw9 h ALA 48 N 1.35 0.26 0.00 -1.18 0.00 -1.76 -2.90 119.26 115.03 1aw9 h ALA 48 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1aw9 h ALA 48 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1aw9 h ALA 48 CO 0.00 1.15 -0.16 -0.07 0.00 0.00 0.00 179.25 180.18 1aw9 h LEU 49 N 0.03 0.00 -7.92 0.00 3.38 0.21 -3.44 115.31 107.57 1aw9 h LEU 49 Ca -0.07 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.22 1aw9 h LEU 49 Cb 1.85 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 42.26 1aw9 h LEU 49 CO 0.16 0.54 -0.68 0.21 0.09 0.00 0.00 178.44 178.76 1aw9 s ASN 50 N -5.45 4.91 0.61 -0.43 3.04 -0.58 -4.89 114.94 112.15 1aw9 s ASN 50 Ca -0.05 -1.60 0.38 0.00 0.04 0.00 0.00 52.86 51.64 1aw9 s ASN 50 Cb 0.01 -1.71 1.98 0.00 -1.54 0.00 0.00 41.25 39.99 1aw9 s ASN 50 CO 0.07 -0.34 2.23 1.55 -3.04 0.00 0.00 177.10 177.56 1aw9 h PRO 51 N 7.93 0.00 0.00 0.43 0.13 -1.77 0.29 132.00 139.01 1aw9 h PRO 51 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1aw9 h PRO 51 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1aw9 h PRO 51 CO 0.56 0.02 0.00 1.19 -0.23 0.00 0.00 178.00 179.54 1aw9 n PHE 52 N -3.23 0.00 -2.24 1.56 3.72 -1.26 -4.92 117.46 111.08 1aw9 n PHE 52 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 1aw9 n PHE 52 Cb 0.15 -0.49 -0.01 0.00 -0.94 0.00 0.00 39.48 38.19 1aw9 n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aw9 n GLY 53 N 1.30 -0.15 3.55 1.37 0.00 0.10 -5.02 105.19 106.35 1aw9 n GLY 53 Ca 0.07 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1aw9 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aw9 s GLN 54 N -4.69 2.02 0.08 1.61 -0.21 -1.26 -5.04 119.66 112.17 1aw9 s GLN 54 Ca 0.00 -1.12 -0.07 0.00 0.02 0.00 0.00 55.36 54.19 1aw9 s GLN 54 Cb 0.00 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.73 1aw9 s GLN 54 CO 0.00 0.48 0.34 0.42 -2.12 0.00 0.00 175.29 174.42 1aw9 s ILE 55 N -1.30 5.19 0.61 1.08 -1.09 -1.26 -4.56 121.20 119.87 1aw9 s ILE 55 Ca 0.21 0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.83 1aw9 s ILE 55 Cb -0.10 -3.61 0.07 0.00 -1.58 0.00 0.00 42.46 37.23 1aw9 s ILE 55 CO 0.13 0.22 0.84 -2.16 -1.23 0.00 0.00 174.94 172.74 1aw9 s PRO 56 N -2.15 2.24 0.04 2.79 0.04 -1.26 -4.91 135.00 131.79 1aw9 s PRO 56 Ca 0.34 -0.97 0.02 0.00 0.04 0.00 0.00 61.00 60.43 1aw9 s PRO 56 Cb -0.13 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1aw9 s PRO 56 CO 0.20 -0.96 -0.07 0.00 0.04 0.00 0.00 177.00 176.22 1aw9 s ALA 57 N -2.87 0.48 -0.03 8.56 0.00 -1.15 -4.03 121.76 122.72 1aw9 s ALA 57 Ca 0.61 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1aw9 s ALA 57 Cb -0.08 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1aw9 s ALA 57 CO 0.40 -0.04 -0.10 -1.17 0.00 0.00 0.00 175.76 174.86 1aw9 s LEU 58 N -1.48 1.74 -0.32 0.00 2.96 0.02 -1.02 118.68 120.58 1aw9 s LEU 58 Ca -0.10 -0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 1aw9 s LEU 58 Cb -0.10 -0.61 0.01 0.00 0.50 0.00 0.00 46.19 45.99 1aw9 s LEU 58 CO 0.00 0.06 0.13 -0.69 -1.32 0.00 0.00 176.35 174.53 1aw9 s VAL 59 N 0.30 4.34 -0.87 1.68 1.01 -0.46 -1.18 120.40 125.22 1aw9 s VAL 59 Ca -0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1aw9 s VAL 59 Cb -0.10 -3.27 0.22 0.00 0.00 0.00 0.00 36.38 33.23 1aw9 s VAL 59 CO 0.01 0.01 0.77 -0.62 0.00 0.00 0.00 175.10 175.27 1aw9 s ASP 60 N 1.55 6.13 0.62 3.32 2.15 0.30 -3.02 116.67 127.72 1aw9 s ASP 60 Ca 0.03 -3.45 0.00 0.00 0.43 0.00 0.00 52.55 49.56 1aw9 s ASP 60 Cb -0.18 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 1aw9 s ASP 60 CO 0.05 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 1aw9 n GLY 61 N 2.75 1.16 0.00 2.66 0.00 -1.26 -1.33 105.19 109.17 1aw9 n GLY 61 Ca 0.19 0.29 0.10 0.00 0.00 0.00 0.00 46.02 46.60 1aw9 n GLY 61 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aw9 n ASP 62 N 7.82 0.80 -4.80 1.61 5.75 -1.26 -4.94 116.55 121.53 1aw9 n ASP 62 Ca 0.00 -0.78 -0.39 0.00 -0.01 0.00 0.00 54.79 53.62 1aw9 n ASP 62 Cb 0.00 1.12 -0.06 0.00 -1.03 0.00 0.00 41.12 41.15 1aw9 n ASP 62 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1aw9 s GLU 63 N -3.09 4.22 -0.08 0.11 0.41 -0.44 -5.08 118.70 114.75 1aw9 s GLU 63 Ca 0.05 0.74 0.03 0.00 -0.41 0.00 0.00 54.97 55.38 1aw9 s GLU 63 Cb 0.16 -3.26 0.01 0.00 -1.78 0.00 0.00 34.13 29.26 1aw9 s GLU 63 CO 0.87 0.59 -0.17 0.08 -0.49 0.00 0.00 175.26 176.14 1aw9 s VAL 64 N -0.95 1.49 0.08 2.63 1.01 -1.26 0.11 120.40 123.51 1aw9 s VAL 64 Ca 0.29 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1aw9 s VAL 64 Cb -0.19 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1aw9 s VAL 64 CO 0.19 0.43 -0.09 -0.76 0.00 0.00 0.00 175.10 174.87 1aw9 s LEU 65 N 0.59 2.36 0.14 3.92 1.02 -0.33 -4.98 118.68 121.40 1aw9 s LEU 65 Ca -0.15 -0.74 -0.07 0.00 0.02 0.00 0.00 54.13 53.19 1aw9 s LEU 65 Cb -0.16 -0.26 -0.01 0.00 0.02 0.00 0.00 46.19 45.77 1aw9 s LEU 65 CO 0.05 -0.25 0.21 0.72 0.02 0.00 0.00 176.35 177.09 1aw9 s PHE 66 N -2.16 0.43 0.00 0.29 -0.12 -1.26 -0.80 117.98 114.36 1aw9 s PHE 66 Ca 0.01 -0.82 0.00 0.00 -0.05 0.00 0.00 56.93 56.07 1aw9 s PHE 66 Cb -0.05 -0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.19 1aw9 s PHE 66 CO -0.00 -0.63 0.00 0.39 -0.05 0.00 0.00 175.22 174.93 1aw9 n GLU 67 N -0.14 0.00 -0.33 1.99 -0.58 -1.26 -4.50 120.64 115.83 1aw9 n GLU 67 Ca -0.09 0.24 0.18 0.00 -0.42 0.00 0.00 57.16 57.07 1aw9 n GLU 67 Cb 0.63 -0.43 0.38 0.00 -0.57 0.00 0.00 31.44 31.45 1aw9 n GLU 67 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1aw9 h SER 68 N 0.00 0.45 0.66 1.62 4.64 -1.89 0.85 113.55 119.87 1aw9 h SER 68 Ca 0.00 0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 1aw9 h SER 68 Cb 0.00 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1aw9 h SER 68 CO 0.00 -0.04 -0.61 0.03 -0.87 0.00 0.00 176.83 175.34 1aw9 h ARG 69 N 0.40 0.00 -0.28 4.77 3.08 -1.95 0.02 114.38 120.42 1aw9 h ARG 69 Ca 0.64 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.51 1aw9 h ARG 69 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1aw9 h ARG 69 CO -0.56 0.61 -0.51 0.00 -1.07 0.00 0.00 179.97 178.45 1aw9 h ALA 70 N 1.39 0.44 -0.01 0.04 0.00 -1.16 -1.90 119.26 118.06 1aw9 h ALA 70 Ca -0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1aw9 h ALA 70 Cb 1.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1aw9 h ALA 70 CO 0.08 0.63 0.01 0.82 0.00 0.00 0.00 179.25 180.79 1aw9 h ILE 71 N 0.62 1.08 -0.92 0.00 2.04 -0.91 -1.13 117.51 118.29 1aw9 h ILE 71 Ca 0.02 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1aw9 h ILE 71 Cb 1.12 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 1aw9 h ILE 71 CO 0.12 0.06 0.60 0.78 0.00 0.00 0.00 178.15 179.71 1aw9 h ASN 72 N -0.08 0.97 -0.14 1.72 4.21 -0.97 -1.00 115.58 120.29 1aw9 h ASN 72 Ca 0.00 -0.01 -0.19 0.00 1.21 0.00 0.00 56.30 57.32 1aw9 h ASN 72 Cb 0.09 -0.22 0.01 0.00 -1.12 0.00 0.00 38.32 37.08 1aw9 h ASN 72 CO -0.00 0.66 -0.65 -0.09 -1.29 0.00 0.00 177.43 176.06 1aw9 h ARG 73 N 1.12 0.69 0.30 0.81 2.43 -1.19 -1.22 114.38 117.32 1aw9 h ARG 73 Ca 0.37 -0.55 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1aw9 h ARG 73 Cb 0.06 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1aw9 h ARG 73 CO -0.12 1.17 -0.20 -0.92 -1.51 0.00 0.00 179.97 178.39 1aw9 h TYR 74 N 0.38 -0.53 -0.95 2.20 3.20 -0.86 -1.69 116.97 118.70 1aw9 h TYR 74 Ca -0.04 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.84 1aw9 h TYR 74 Cb 1.28 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.70 1aw9 h TYR 74 CO 0.10 -0.31 0.63 0.82 -1.64 0.00 0.00 178.16 177.75 1aw9 h ILE 75 N -0.50 1.23 -0.15 1.81 1.08 -1.23 0.87 117.51 120.62 1aw9 h ILE 75 Ca -0.03 -0.44 -0.06 0.00 -0.39 0.00 0.00 64.86 63.95 1aw9 h ILE 75 Cb 0.42 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 1aw9 h ILE 75 CO 0.02 0.23 -0.17 0.00 -0.69 0.00 0.00 178.15 177.53 1aw9 h ALA 76 N 1.41 1.43 0.03 1.87 0.00 -0.74 -0.92 119.26 122.34 1aw9 h ALA 76 Ca 0.35 -0.24 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 1aw9 h ALA 76 Cb -0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1aw9 h ALA 76 CO -0.08 0.40 -2.02 -1.13 0.00 0.00 0.00 179.25 176.41 1aw9 n SER 77 N -4.23 1.03 -0.01 0.00 3.41 -0.68 -3.54 113.62 109.59 1aw9 n SER 77 Ca -0.01 0.21 -0.13 0.00 -0.26 0.00 0.00 58.87 58.68 1aw9 n SER 77 Cb 0.30 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 1aw9 n SER 77 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1aw9 h LYS 78 N 0.01 0.02 -1.52 4.33 3.64 -0.78 -3.00 116.57 119.27 1aw9 h LYS 78 Ca -0.41 -0.01 -0.72 0.00 -1.27 0.00 0.00 60.65 58.24 1aw9 h LYS 78 Cb 2.07 -0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 33.60 1aw9 h LYS 78 CO 0.05 0.47 0.89 0.66 -2.27 0.00 0.00 179.45 179.24 1aw9 n TYR 79 N -4.86 3.10 -0.20 1.91 4.01 -0.35 -4.76 117.16 116.00 1aw9 n TYR 79 Ca -0.08 -2.65 0.30 0.00 -0.16 0.00 0.00 57.90 55.31 1aw9 n TYR 79 Cb 0.24 -1.25 0.72 0.00 -0.31 0.00 0.00 39.34 38.73 1aw9 n TYR 79 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aw9 h ALA 80 N 2.53 2.85 0.07 -0.72 0.00 -1.57 -2.91 119.26 119.52 1aw9 h ALA 80 Ca 0.57 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 55.10 1aw9 h ALA 80 Cb 0.43 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1aw9 h ALA 80 CO 1.48 -1.28 -1.96 0.43 0.00 0.00 0.00 179.25 177.92 1aw9 n SER 81 N -3.98 2.04 -4.61 0.00 7.64 -1.26 -4.65 113.62 108.80 1aw9 n SER 81 Ca 0.20 0.21 -0.39 0.00 1.01 0.00 0.00 58.87 59.91 1aw9 n SER 81 Cb 1.11 -0.81 0.04 0.00 -1.01 0.00 0.00 64.21 63.54 1aw9 n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1aw9 n GLU 82 N -3.70 1.02 0.00 1.43 4.71 -1.10 -4.74 120.64 118.26 1aw9 n GLU 82 Ca -0.36 0.38 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1aw9 n GLU 82 Cb 0.95 -2.13 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1aw9 n GLU 82 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1aw9 n GLY 83 N 1.27 0.87 3.76 0.62 0.00 -1.18 -4.68 105.19 105.85 1aw9 n GLY 83 Ca 0.12 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1aw9 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aw9 s THR 84 N 0.00 2.03 -0.73 2.61 2.01 -1.04 -4.92 115.64 115.60 1aw9 s THR 84 Ca 0.00 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 1aw9 s THR 84 Cb 0.00 -3.01 0.08 0.00 0.01 0.00 0.00 72.50 69.58 1aw9 s THR 84 CO 0.00 0.00 1.02 -0.62 -0.69 0.00 0.00 174.62 174.34 1aw9 s ASP 85 N -0.75 6.28 0.01 3.53 2.15 -1.26 -4.73 116.67 121.90 1aw9 s ASP 85 Ca 0.67 -1.21 0.22 0.00 0.43 0.00 0.00 52.55 52.66 1aw9 s ASP 85 Cb -0.42 -2.42 0.93 0.00 -0.30 0.00 0.00 42.92 40.70 1aw9 s ASP 85 CO 0.52 -1.38 1.70 0.18 -0.17 0.00 0.00 175.17 176.02 1aw9 n LEU 86 N 7.56 0.03 -3.17 -1.34 4.77 -1.26 -3.70 117.00 119.88 1aw9 n LEU 86 Ca 0.03 0.50 -0.25 0.00 -0.03 0.00 0.00 56.01 56.27 1aw9 n LEU 86 Cb 0.46 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1aw9 n LEU 86 CO 0.62 -0.13 -0.02 0.18 -1.33 0.00 0.00 177.39 176.70 1aw9 n LEU 87 N -1.53 2.82 -4.77 2.23 4.77 -1.26 -0.72 117.00 118.55 1aw9 n LEU 87 Ca 0.05 -5.32 -0.41 0.00 -0.03 0.00 0.00 56.01 50.31 1aw9 n LEU 87 Cb 0.26 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1aw9 n LEU 87 CO 0.20 2.21 1.14 -2.84 -1.33 0.00 0.00 177.39 176.77 1aw9 s PRO 88 N -2.60 4.17 0.00 3.23 0.02 -1.24 -4.88 135.00 133.70 1aw9 s PRO 88 Ca 0.42 2.48 0.28 0.00 0.02 0.00 0.00 61.00 64.21 1aw9 s PRO 88 Cb 0.24 -3.02 1.36 0.00 0.02 0.00 0.00 34.50 33.10 1aw9 s PRO 88 CO -0.09 -0.49 1.96 0.00 -0.33 0.00 0.00 177.00 178.05 1aw9 n ALA 89 N 1.21 2.37 0.14 -1.55 0.00 -1.26 -2.45 120.51 118.98 1aw9 n ALA 89 Ca 0.03 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.43 1aw9 n ALA 89 Cb 0.39 -1.46 0.05 0.00 0.00 0.00 0.00 19.45 18.44 1aw9 n ALA 89 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1aw9 h THR 90 N 0.00 0.29 -4.16 0.00 1.35 -2.02 -3.46 112.91 104.92 1aw9 h THR 90 Ca 0.00 -1.45 -0.49 0.00 -0.55 0.00 0.00 66.41 63.92 1aw9 h THR 90 Cb 0.33 1.99 0.05 0.00 -1.73 0.00 0.00 68.15 68.79 1aw9 h THR 90 CO 0.00 0.17 0.38 0.00 -0.25 0.00 0.00 175.52 175.82 1aw9 s ALA 91 N -3.14 2.79 0.10 6.62 0.00 -1.02 -4.96 121.76 122.14 1aw9 s ALA 91 Ca 0.03 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.14 1aw9 s ALA 91 Cb 0.07 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 1aw9 s ALA 91 CO 0.74 -0.63 1.35 0.45 0.00 0.00 0.00 175.76 177.66 1aw9 s SER 92 N -2.52 6.88 0.24 0.00 0.15 -1.09 -4.91 113.70 112.45 1aw9 s SER 92 Ca 0.65 2.24 0.05 0.00 0.70 0.00 0.00 55.95 59.59 1aw9 s SER 92 Cb -0.16 -2.58 0.27 0.00 -1.71 0.00 0.00 66.02 61.84 1aw9 s SER 92 CO 0.31 -0.61 1.57 0.00 1.20 0.00 0.00 173.24 175.71 1aw9 h ALA 93 N 6.85 0.88 -0.27 5.45 0.00 -1.93 -0.53 119.26 129.70 1aw9 h ALA 93 Ca -0.42 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 53.88 1aw9 h ALA 93 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1aw9 h ALA 93 CO 0.85 0.72 -0.14 0.00 0.00 0.00 0.00 179.25 180.68 1aw9 h ALA 94 N 1.22 0.38 -0.29 0.00 0.00 -1.97 -2.58 119.26 116.02 1aw9 h ALA 94 Ca -0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1aw9 h ALA 94 Cb 1.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1aw9 h ALA 94 CO 0.09 0.27 -0.45 0.87 0.00 0.00 0.00 179.25 180.03 1aw9 h LYS 95 N 0.30 0.81 -0.53 0.00 1.57 -1.88 -2.59 116.57 114.26 1aw9 h LYS 95 Ca 0.06 -0.49 0.02 0.00 -1.87 0.00 0.00 60.65 58.37 1aw9 h LYS 95 Cb 0.66 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1aw9 h LYS 95 CO 0.04 1.12 0.33 1.25 -0.57 0.00 0.00 179.45 181.62 1aw9 h LEU 96 N 0.58 0.55 -0.40 2.94 5.85 -1.10 -1.01 115.31 122.72 1aw9 h LEU 96 Ca 0.03 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 1aw9 h LEU 96 Cb 1.05 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1aw9 h LEU 96 CO 0.10 0.39 -0.43 -0.33 -0.34 0.00 0.00 178.44 177.83 1aw9 h GLU 97 N 0.66 0.89 -0.16 1.25 4.39 -1.49 -2.84 114.58 117.28 1aw9 h GLU 97 Ca 0.21 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 1aw9 h GLU 97 Cb -0.01 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1aw9 h GLU 97 CO -0.08 1.14 0.06 0.28 -1.16 0.00 0.00 179.01 179.25 1aw9 h VAL 98 N 0.72 1.16 0.00 3.13 2.07 -1.31 -2.92 116.25 119.09 1aw9 h VAL 98 Ca 0.05 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1aw9 h VAL 98 Cb 1.02 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1aw9 h VAL 98 CO 0.10 0.15 0.00 0.79 0.02 0.00 0.00 177.57 178.63 1aw9 n TRP 99 N -4.86 0.88 0.04 1.57 7.02 -0.40 -1.15 117.44 120.54 1aw9 n TRP 99 Ca -0.05 0.32 -0.20 0.00 -1.02 0.00 0.00 57.50 56.55 1aw9 n TRP 99 Cb 0.12 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 27.90 1aw9 n TRP 99 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1aw9 h LEU 100 N 0.00 0.89 -0.13 -0.99 3.38 -1.39 -2.82 115.31 114.24 1aw9 h LEU 100 Ca 0.00 -0.74 -0.23 0.00 0.09 0.00 0.00 57.88 57.00 1aw9 h LEU 100 Cb 0.48 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1aw9 h LEU 100 CO 0.00 1.51 -0.87 -0.33 0.09 0.00 0.00 178.44 178.84 1aw9 h GLU 101 N 0.36 0.71 -0.79 1.13 4.39 -1.29 -3.06 114.58 116.02 1aw9 h GLU 101 Ca -0.12 -0.64 0.07 0.00 0.34 0.00 0.00 59.36 59.00 1aw9 h GLU 101 Cb 1.66 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 30.40 1aw9 h GLU 101 CO 0.20 1.24 0.47 0.28 -1.16 0.00 0.00 179.01 180.04 1aw9 h VAL 102 N 0.45 1.00 -0.79 3.13 2.07 -1.18 0.24 116.25 121.18 1aw9 h VAL 102 Ca -0.08 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1aw9 h VAL 102 Cb 1.50 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1aw9 h VAL 102 CO 0.17 0.16 0.36 -0.08 0.02 0.00 0.00 177.57 178.20 1aw9 h GLU 103 N 0.85 1.14 -0.27 1.57 4.22 -1.55 0.50 114.58 121.04 1aw9 h GLU 103 Ca 0.35 -0.18 -0.13 0.00 0.08 0.00 0.00 59.36 59.49 1aw9 h GLU 103 Cb 0.21 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1aw9 h GLU 103 CO -0.19 0.90 -0.34 1.03 -2.18 0.00 0.00 179.01 178.23 1aw9 h SER 104 N 1.12 0.77 0.00 1.04 0.87 -1.22 0.35 113.55 116.48 1aw9 h SER 104 Ca 0.27 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1aw9 h SER 104 Cb 0.14 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1aw9 h SER 104 CO -0.03 1.11 -1.54 1.41 -0.53 0.00 0.00 176.83 177.25 1aw9 n HIS 105 N -4.23 0.00 0.00 2.24 8.25 0.78 -4.29 115.22 117.97 1aw9 n HIS 105 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1aw9 n HIS 105 Cb 0.50 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1aw9 n HIS 105 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1aw9 n HIS 106 N -1.91 0.00 -0.06 4.41 8.25 0.17 -4.71 115.22 121.37 1aw9 n HIS 106 Ca -0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.40 1aw9 n HIS 106 Cb 0.45 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 1aw9 n HIS 106 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1aw9 h PHE 107 N 0.00 0.00 -0.05 4.41 3.57 -1.37 -3.36 116.94 120.14 1aw9 h PHE 107 Ca 0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1aw9 h PHE 107 Cb 0.95 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 1aw9 h PHE 107 CO 0.00 0.28 -0.29 -0.92 -2.23 0.00 0.00 178.31 175.14 1aw9 h TYR 108 N -1.00 -0.80 0.00 0.41 3.20 -0.52 0.21 116.97 118.48 1aw9 h TYR 108 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1aw9 h TYR 108 Cb 0.40 0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1aw9 h TYR 108 CO -0.01 -0.38 0.12 -1.35 -1.64 0.00 0.00 178.16 174.90 1aw9 h PRO 109 N -0.41 0.00 0.00 1.82 0.11 -1.78 -0.28 132.00 131.45 1aw9 h PRO 109 Ca 0.07 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.85 1aw9 h PRO 109 Cb 0.52 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.57 1aw9 h PRO 109 CO -0.28 0.00 -2.26 0.09 -0.21 0.00 0.00 178.00 175.34 1aw9 n ASN 110 N -2.70 0.96 -0.04 -2.05 3.02 -0.67 -4.41 115.26 109.37 1aw9 n ASN 110 Ca -0.02 -0.03 -0.16 0.00 -0.03 0.00 0.00 54.58 54.34 1aw9 n ASN 110 Cb 0.17 0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 39.89 1aw9 n ASN 110 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aw9 h ALA 111 N 0.67 0.27 -0.37 5.41 0.00 0.38 -3.29 119.26 122.33 1aw9 h ALA 111 Ca -0.50 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 53.88 1aw9 h ALA 111 Cb 2.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1aw9 h ALA 111 CO 0.00 0.47 0.16 0.66 0.00 0.00 0.00 179.25 180.55 1aw9 h SER 112 N 0.30 0.49 -0.74 0.00 4.64 -1.32 -2.41 113.55 114.51 1aw9 h SER 112 Ca -0.02 -0.15 0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1aw9 h SER 112 Cb 1.16 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 1aw9 h SER 112 CO 0.11 0.50 0.49 -0.65 -0.87 0.00 0.00 176.83 176.42 1aw9 h PRO 113 N 0.45 0.67 -0.48 4.77 0.11 -1.77 0.97 132.00 136.72 1aw9 h PRO 113 Ca 0.12 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 1aw9 h PRO 113 Cb 0.15 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1aw9 h PRO 113 CO -0.01 0.44 0.01 -0.07 -0.21 0.00 0.00 178.00 178.16 1aw9 h LEU 114 N 0.69 0.82 -0.64 2.35 3.38 -1.57 -0.48 115.31 119.85 1aw9 h LEU 114 Ca 0.34 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1aw9 h LEU 114 Cb 0.40 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1aw9 h LEU 114 CO -0.12 0.92 -0.37 0.58 0.09 0.00 0.00 178.44 179.54 1aw9 h VAL 115 N 0.69 1.29 -0.04 1.22 2.07 -0.90 -1.88 116.25 118.69 1aw9 h VAL 115 Ca 0.14 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1aw9 h VAL 115 Cb 0.49 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1aw9 h VAL 115 CO 0.02 0.49 -0.00 0.15 0.02 0.00 0.00 177.57 178.25 1aw9 h PHE 116 N 0.54 0.09 -0.30 1.57 3.57 -0.61 -0.90 116.94 120.90 1aw9 h PHE 116 Ca 0.05 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 1aw9 h PHE 116 Cb 0.88 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1aw9 h PHE 116 CO 0.04 0.38 -0.48 1.96 -2.23 0.00 0.00 178.31 177.98 1aw9 h GLN 117 N -0.23 0.80 0.00 1.11 1.08 -1.11 -1.93 115.11 114.83 1aw9 h GLN 117 Ca 0.01 -0.47 -0.02 0.00 -1.45 0.00 0.00 58.65 56.72 1aw9 h GLN 117 Cb 0.35 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1aw9 h GLN 117 CO 0.00 1.10 -1.00 -0.07 -0.95 0.00 0.00 178.83 177.91 1aw9 h LEU 118 N 0.63 0.00 0.00 1.46 3.38 -1.39 -3.36 115.31 116.03 1aw9 h LEU 118 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1aw9 h LEU 118 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1aw9 h LEU 118 CO 0.11 0.09 -1.34 0.18 0.09 0.00 0.00 178.44 177.56 1aw9 n LEU 119 N -2.74 0.65 0.11 1.67 4.77 -0.35 -4.76 117.00 116.35 1aw9 n LEU 119 Ca -0.01 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1aw9 n LEU 119 Cb 0.59 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1aw9 n LEU 119 CO 0.40 0.09 0.41 0.58 -1.33 0.00 0.00 177.39 177.54 1aw9 h VAL 120 N -0.29 0.65 -0.44 4.08 2.07 -1.41 -3.24 116.25 117.67 1aw9 h VAL 120 Ca -0.19 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.55 1aw9 h VAL 120 Cb 1.09 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 1aw9 h VAL 120 CO -0.11 0.15 -0.03 0.03 0.02 0.00 0.00 177.57 177.63 1aw9 h ARG 121 N -0.88 0.08 -0.43 1.57 3.08 -1.55 -1.19 114.38 115.05 1aw9 h ARG 121 Ca -0.04 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1aw9 h ARG 121 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1aw9 h ARG 121 CO 0.06 0.05 0.16 -1.35 -1.07 0.00 0.00 179.97 177.82 1aw9 h PRO 122 N 0.08 0.62 0.00 0.04 0.11 -1.61 0.28 132.00 131.52 1aw9 h PRO 122 Ca 0.22 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1aw9 h PRO 122 Cb 0.33 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 1aw9 h PRO 122 CO -0.39 0.52 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.83 1aw9 h LEU 123 N 0.62 0.00 -3.11 2.35 3.38 -1.26 -1.89 115.31 115.39 1aw9 h LEU 123 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1aw9 h LEU 123 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1aw9 h LEU 123 CO -0.01 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.72 1aw9 n LEU 124 N -3.21 4.35 0.00 1.67 4.32 -0.41 -4.95 117.00 118.77 1aw9 n LEU 124 Ca -0.02 -2.45 0.00 0.00 -0.02 0.00 0.00 56.01 53.52 1aw9 n LEU 124 Cb 0.18 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 1aw9 n LEU 124 CO 0.25 0.79 0.00 0.61 -1.22 0.00 0.00 177.39 177.81 1aw9 n GLY 125 N 0.81 0.58 3.46 -0.72 0.00 -0.71 -5.04 105.19 103.58 1aw9 n GLY 125 Ca 0.23 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1aw9 n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aw9 s GLY 126 N -2.30 1.70 0.08 -0.02 0.00 0.85 -4.97 107.32 102.65 1aw9 s GLY 126 Ca 0.00 -1.56 -0.16 0.00 0.00 0.00 0.00 44.72 43.01 1aw9 s GLY 126 CO 0.00 -1.57 0.51 0.00 0.00 0.00 0.00 173.10 172.04 1aw9 s ALA 127 N -1.55 3.62 0.42 3.20 0.00 -1.26 -2.27 121.76 123.92 1aw9 s ALA 127 Ca 0.21 -0.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 1aw9 s ALA 127 Cb -0.09 -2.51 -0.10 0.00 0.00 0.00 0.00 23.12 20.43 1aw9 s ALA 127 CO 0.11 0.45 1.21 -2.30 0.00 0.00 0.00 175.76 175.23 1aw9 n PRO 128 N 1.37 1.79 -2.83 0.00 -0.02 -1.26 -4.93 135.00 129.12 1aw9 n PRO 128 Ca -0.09 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 1aw9 n PRO 128 Cb 0.52 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1aw9 n PRO 128 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1aw9 s ASP 129 N -0.58 6.51 0.35 2.55 -1.08 -1.26 -4.93 116.67 118.23 1aw9 s ASP 129 Ca 0.62 0.15 0.07 0.00 -0.52 0.00 0.00 52.55 52.87 1aw9 s ASP 129 Cb -0.52 -2.45 0.77 0.00 -1.46 0.00 0.00 42.92 39.26 1aw9 s ASP 129 CO 0.58 -1.02 1.90 0.00 0.52 0.00 0.00 175.17 177.14 1aw9 h ALA 130 N 9.01 1.76 -0.47 3.66 0.00 -1.99 -1.27 119.26 129.96 1aw9 h ALA 130 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1aw9 h ALA 130 Cb 1.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1aw9 h ALA 130 CO 1.02 0.04 -0.12 0.00 0.00 0.00 0.00 179.25 180.19 1aw9 h ALA 131 N 1.59 0.90 -0.18 0.00 0.00 -1.99 -1.14 119.26 118.45 1aw9 h ALA 131 Ca 0.41 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1aw9 h ALA 131 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1aw9 h ALA 131 CO -0.17 0.63 -0.43 0.28 0.00 0.00 0.00 179.25 179.56 1aw9 h VAL 132 N 0.78 1.33 -0.07 0.00 2.07 -1.73 -2.03 116.25 116.61 1aw9 h VAL 132 Ca 0.13 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 1aw9 h VAL 132 Cb 0.63 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1aw9 h VAL 132 CO 0.04 0.52 0.03 0.58 0.02 0.00 0.00 177.57 178.76 1aw9 h VAL 133 N 0.27 1.10 -0.17 2.57 2.07 -1.21 -2.03 116.25 118.86 1aw9 h VAL 133 Ca -0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1aw9 h VAL 133 Cb 1.05 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1aw9 h VAL 133 CO 0.09 0.09 0.11 0.44 0.02 0.00 0.00 177.57 178.32 1aw9 h ASP 134 N -0.01 0.19 0.06 0.57 5.19 -1.25 0.24 116.42 121.41 1aw9 h ASP 134 Ca 0.02 -0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1aw9 h ASP 134 Cb 0.11 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 1aw9 h ASP 134 CO -0.00 0.13 -0.15 0.50 -3.12 0.00 0.00 179.24 176.60 1aw9 h LYS 135 N 0.22 -0.27 -0.01 3.56 3.64 -1.34 -2.88 116.57 119.49 1aw9 h LYS 135 Ca 0.06 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 1aw9 h LYS 135 Cb -0.02 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1aw9 h LYS 135 CO -0.02 -0.18 -0.68 0.45 -2.27 0.00 0.00 179.45 176.75 1aw9 h HIS 136 N -0.28 0.10 -0.66 1.91 3.86 -1.19 -1.92 115.15 116.97 1aw9 h HIS 136 Ca 0.03 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1aw9 h HIS 136 Cb 0.31 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1aw9 h HIS 136 CO -0.18 0.73 0.13 0.00 0.86 0.00 0.00 177.93 179.47 1aw9 h ALA 137 N 1.26 0.87 -0.29 2.45 0.00 -0.56 0.10 119.26 123.09 1aw9 h ALA 137 Ca -0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1aw9 h ALA 137 Cb 1.20 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1aw9 h ALA 137 CO 0.09 0.62 -0.32 1.49 0.00 0.00 0.00 179.25 181.13 1aw9 h GLU 138 N 0.99 0.74 -0.60 0.00 4.81 -1.46 0.14 114.58 119.21 1aw9 h GLU 138 Ca 0.20 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1aw9 h GLU 138 Cb 0.41 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1aw9 h GLU 138 CO 0.01 1.02 0.16 1.96 -0.73 0.00 0.00 179.01 181.43 1aw9 h GLN 139 N 0.49 0.95 -0.53 1.92 4.20 -1.21 -1.97 115.11 118.96 1aw9 h GLN 139 Ca 0.04 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 1aw9 h GLN 139 Cb 0.90 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 1aw9 h GLN 139 CO 0.08 0.86 -0.02 1.25 -0.67 0.00 0.00 178.83 180.33 1aw9 h LEU 140 N 0.87 0.95 -0.23 1.46 5.85 -0.95 -1.79 115.31 121.47 1aw9 h LEU 140 Ca 0.19 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1aw9 h LEU 140 Cb 0.33 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1aw9 h LEU 140 CO -0.00 1.04 -0.11 0.00 -0.34 0.00 0.00 178.44 179.03 1aw9 h ALA 141 N 0.94 0.09 -0.86 1.25 0.00 -0.72 0.33 119.26 120.29 1aw9 h ALA 141 Ca 0.15 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1aw9 h ALA 141 Cb 0.57 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1aw9 h ALA 141 CO 0.03 -0.52 0.57 0.87 0.00 0.00 0.00 179.25 180.20 1aw9 h LYS 142 N -0.07 1.12 -0.31 0.00 1.79 -1.18 -1.63 116.57 116.29 1aw9 h LYS 142 Ca 0.12 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1aw9 h LYS 142 Cb 0.26 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1aw9 h LYS 142 CO -0.28 0.74 0.17 0.28 -1.08 0.00 0.00 179.45 179.29 1aw9 h VAL 143 N 1.15 1.13 0.00 0.50 2.07 -0.60 -2.83 116.25 117.67 1aw9 h VAL 143 Ca 0.32 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1aw9 h VAL 143 Cb -0.12 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1aw9 h VAL 143 CO -0.07 0.13 0.00 -0.07 0.02 0.00 0.00 177.57 177.57 1aw9 h LEU 144 N 0.39 0.00 -0.51 2.57 3.38 0.10 -1.89 115.31 119.35 1aw9 h LEU 144 Ca 0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1aw9 h LEU 144 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1aw9 h LEU 144 CO -0.02 0.00 -0.72 0.44 0.09 0.00 0.00 178.44 178.23 1aw9 h ASP 145 N 0.00 0.19 0.36 -0.43 3.32 -1.06 -0.49 116.42 118.32 1aw9 h ASP 145 Ca 0.00 -0.13 -0.22 0.00 0.02 0.00 0.00 57.03 56.70 1aw9 h ASP 145 Cb 0.35 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1aw9 h ASP 145 CO 0.00 0.85 -0.91 0.58 -1.72 0.00 0.00 179.24 178.04 1aw9 h VAL 146 N 0.11 1.41 -0.50 -1.35 2.07 -1.30 -2.78 116.25 113.90 1aw9 h VAL 146 Ca -0.02 -2.44 -0.08 0.00 0.82 0.00 0.00 66.70 64.98 1aw9 h VAL 146 Cb 1.28 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1aw9 h VAL 146 CO 0.11 0.73 0.00 1.88 0.02 0.00 0.00 177.57 180.31 1aw9 h TYR 147 N 0.22 0.97 -0.18 1.57 -1.99 -1.31 -2.01 116.97 114.23 1aw9 h TYR 147 Ca -0.07 -0.17 0.02 0.00 2.00 0.00 0.00 58.73 60.51 1aw9 h TYR 147 Cb 1.54 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 40.00 1aw9 h TYR 147 CO 0.05 0.90 0.06 1.49 -0.00 0.00 0.00 178.16 180.66 1aw9 h GLU 148 N 0.75 0.14 -0.50 4.88 4.57 -1.08 0.39 114.58 123.73 1aw9 h GLU 148 Ca 0.14 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.24 1aw9 h GLU 148 Cb 0.51 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1aw9 h GLU 148 CO 0.03 0.09 -0.01 0.00 -1.18 0.00 0.00 179.01 177.93 1aw9 h ALA 149 N 1.11 1.04 -0.22 2.92 0.00 -1.46 -1.60 119.26 121.05 1aw9 h ALA 149 Ca 0.08 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1aw9 h ALA 149 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1aw9 h ALA 149 CO -0.08 0.59 -0.12 1.25 0.00 0.00 0.00 179.25 180.89 1aw9 h HIS 150 N 0.78 0.54 0.00 0.00 -0.00 -0.90 -3.04 115.15 112.53 1aw9 h HIS 150 Ca 0.15 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1aw9 h HIS 150 Cb 0.49 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 1aw9 h HIS 150 CO 0.03 0.76 0.00 1.28 -0.00 0.00 0.00 177.93 179.99 1aw9 n LEU 151 N -4.52 0.69 0.18 0.26 4.77 0.13 -1.62 117.00 116.89 1aw9 n LEU 151 Ca -0.05 0.64 0.05 0.00 -0.03 0.00 0.00 56.01 56.63 1aw9 n LEU 151 Cb 0.34 -0.52 0.24 0.00 -2.33 0.00 0.00 43.42 41.15 1aw9 n LEU 151 CO 0.40 -0.47 0.62 0.00 -1.33 0.00 0.00 177.39 176.61 1aw9 h ALA 152 N 2.33 0.87 -0.02 -1.18 0.00 -1.17 -3.23 119.26 116.85 1aw9 h ALA 152 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1aw9 h ALA 152 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1aw9 h ALA 152 CO 0.00 0.49 -0.29 0.54 0.00 0.00 0.00 179.25 180.00 1aw9 n ARG 153 N -3.37 1.57 -3.84 0.00 1.74 -0.72 -4.97 116.66 107.06 1aw9 n ARG 153 Ca 0.01 -1.09 -0.12 0.00 -0.77 0.00 0.00 57.85 55.88 1aw9 n ARG 153 Cb 0.58 -1.36 -0.12 0.00 -1.02 0.00 0.00 32.46 30.54 1aw9 n ARG 153 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1aw9 s ASN 154 N -1.99 -0.09 0.08 0.55 0.01 -0.64 -5.05 114.94 107.82 1aw9 s ASN 154 Ca 0.17 0.15 -0.20 0.00 -0.71 0.00 0.00 52.86 52.28 1aw9 s ASN 154 Cb 0.15 0.22 -0.09 0.00 0.41 0.00 0.00 41.25 41.94 1aw9 s ASN 154 CO 0.41 -0.09 1.54 0.50 -1.51 0.00 0.00 177.10 177.95 1aw9 h LYS 155 N 5.72 0.36 -5.31 -0.60 3.64 -1.79 -3.40 116.57 115.18 1aw9 h LYS 155 Ca -0.26 -0.10 -0.56 0.00 -1.27 0.00 0.00 60.65 58.46 1aw9 h LYS 155 Cb 1.20 -0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 32.85 1aw9 h LYS 155 CO 0.43 0.52 -0.58 0.71 -2.27 0.00 0.00 179.45 178.26 1aw9 s TYR 156 N -5.12 2.07 0.17 1.91 2.02 0.93 -4.89 117.35 114.45 1aw9 s TYR 156 Ca -0.14 -0.93 -0.20 0.00 -0.37 0.00 0.00 57.07 55.44 1aw9 s TYR 156 Cb 0.07 -1.45 0.10 0.00 -0.40 0.00 0.00 41.96 40.28 1aw9 s TYR 156 CO 0.73 0.12 1.62 -0.07 -1.57 0.00 0.00 175.55 176.38 1aw9 h LEU 157 N 1.85 -0.79 -0.80 -1.29 3.38 -1.86 -2.36 115.31 113.43 1aw9 h LEU 157 Ca -0.41 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1aw9 h LEU 157 Cb 1.26 0.41 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1aw9 h LEU 157 CO 0.71 -0.26 -0.07 0.00 0.09 0.00 0.00 178.44 178.92 1aw9 n ALA 158 N -2.93 2.70 0.00 1.53 0.00 -1.26 -4.85 120.51 115.71 1aw9 n ALA 158 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1aw9 n ALA 158 Cb 0.31 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1aw9 n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aw9 n GLY 159 N 1.21 0.28 0.19 0.00 0.00 -0.89 -2.68 105.19 103.31 1aw9 n GLY 159 Ca 0.17 -1.14 0.06 0.00 0.00 0.00 0.00 46.02 45.11 1aw9 n GLY 159 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aw9 h ASP 160 N 0.00 0.00 -2.75 1.61 3.32 -1.93 0.27 116.42 116.93 1aw9 h ASP 160 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1aw9 h ASP 160 Cb 0.00 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.43 1aw9 h ASP 160 CO 0.00 0.35 -0.69 -1.83 -1.72 0.00 0.00 179.24 175.36 1aw9 s GLU 161 N -3.75 2.20 -0.04 3.56 1.03 -1.26 -4.67 118.70 115.78 1aw9 s GLU 161 Ca -0.01 -1.27 -0.30 0.00 0.03 0.00 0.00 54.97 53.42 1aw9 s GLU 161 Cb 0.12 -2.21 -0.04 0.00 -0.80 0.00 0.00 34.13 31.20 1aw9 s GLU 161 CO 0.68 0.42 1.25 0.12 -1.33 0.00 0.00 175.26 176.41 1aw9 s PHE 162 N -1.88 3.11 0.17 4.83 2.19 -1.26 -4.64 117.98 120.49 1aw9 s PHE 162 Ca 0.27 1.11 0.01 0.00 0.33 0.00 0.00 56.93 58.65 1aw9 s PHE 162 Cb -0.08 -3.49 -0.00 0.00 -1.31 0.00 0.00 43.02 38.14 1aw9 s PHE 162 CO 0.17 -1.61 0.04 0.25 1.83 0.00 0.00 175.22 175.90 1aw9 n THR 163 N 4.61 0.00 -0.33 0.12 -2.24 -1.26 -4.77 114.28 110.41 1aw9 n THR 163 Ca 0.11 -0.93 0.03 0.00 -2.27 0.00 0.00 64.05 61.00 1aw9 n THR 163 Cb 0.45 0.28 0.20 0.00 -2.10 0.00 0.00 70.33 69.17 1aw9 n THR 163 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1aw9 h LEU 164 N 0.00 0.98 -0.84 3.22 5.85 -1.26 -2.23 115.31 121.03 1aw9 h LEU 164 Ca -0.14 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.75 1aw9 h LEU 164 Cb 0.48 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.20 1aw9 h LEU 164 CO 0.22 0.64 0.40 0.00 -0.34 0.00 0.00 178.44 179.36 1aw9 h ALA 165 N 1.48 1.28 -0.00 1.25 0.00 -1.87 -1.51 119.26 119.88 1aw9 h ALA 165 Ca 0.40 0.11 -0.27 0.00 0.00 0.00 0.00 54.91 55.15 1aw9 h ALA 165 Cb 0.14 0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1aw9 h ALA 165 CO -0.14 -0.17 -1.04 -0.44 0.00 0.00 0.00 179.25 177.45 1aw9 h ASP 166 N 0.54 0.92 -0.32 0.00 5.19 -1.79 -3.29 116.42 117.67 1aw9 h ASP 166 Ca 0.48 -0.73 -0.03 0.00 -0.62 0.00 0.00 57.03 56.13 1aw9 h ASP 166 Cb 0.75 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1aw9 h ASP 166 CO -0.41 1.53 0.12 0.00 -3.12 0.00 0.00 179.24 177.36 1aw9 h ALA 167 N 0.41 1.49 0.00 3.45 0.00 -1.11 -1.85 119.26 121.64 1aw9 h ALA 167 Ca -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1aw9 h ALA 167 Cb 1.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1aw9 h ALA 167 CO 0.21 0.39 0.00 -0.91 0.00 0.00 0.00 179.25 178.93 1aw9 h ASN 168 N 0.55 0.00 0.61 0.00 2.35 -1.36 -2.41 115.58 115.31 1aw9 h ASN 168 Ca 0.13 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.69 1aw9 h ASN 168 Cb 0.17 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1aw9 h ASN 168 CO -0.01 0.00 -1.53 1.41 -1.65 0.00 0.00 177.43 175.65 1aw9 n HIS 169 N -2.58 0.90 -0.24 1.19 8.25 -0.70 -4.62 115.22 117.42 1aw9 n HIS 169 Ca -0.00 0.30 0.04 0.00 -0.26 0.00 0.00 57.72 57.80 1aw9 n HIS 169 Cb 0.16 -1.08 0.14 0.00 1.12 0.00 0.00 29.99 30.34 1aw9 n HIS 169 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aw9 h ALA 170 N 1.37 0.74 -0.60 -1.41 0.00 -1.39 -2.08 119.26 115.89 1aw9 h ALA 170 Ca -0.20 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1aw9 h ALA 170 Cb 1.66 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1aw9 h ALA 170 CO 0.05 -0.40 0.10 0.66 0.00 0.00 0.00 179.25 179.65 1aw9 h SER 171 N 0.13 0.95 0.64 0.00 4.64 -1.82 -1.32 113.55 116.77 1aw9 h SER 171 Ca 0.38 -0.26 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 1aw9 h SER 171 Cb 0.65 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1aw9 h SER 171 CO -0.59 0.97 -0.66 1.88 -0.87 0.00 0.00 176.83 177.55 1aw9 h TYR 172 N 0.89 0.02 -0.53 4.77 0.05 -1.80 -1.66 116.97 118.71 1aw9 h TYR 172 Ca 0.18 -0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.83 1aw9 h TYR 172 Cb 0.42 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1aw9 h TYR 172 CO 0.03 0.67 -0.13 -0.07 -1.05 0.00 0.00 178.16 177.61 1aw9 h LEU 173 N 0.01 1.03 0.31 3.88 3.38 -1.21 -0.23 115.31 122.48 1aw9 h LEU 173 Ca -0.01 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1aw9 h LEU 173 Cb 1.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1aw9 h LEU 173 CO 0.09 1.16 -0.24 0.25 0.09 0.00 0.00 178.44 179.78 1aw9 h LEU 174 N 0.90 -0.64 -0.71 1.67 7.12 -1.03 -1.23 115.31 121.39 1aw9 h LEU 174 Ca 0.13 0.05 -0.06 0.00 0.13 0.00 0.00 57.88 58.13 1aw9 h LEU 174 Cb 0.71 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 41.02 1aw9 h LEU 174 CO 0.05 -0.37 0.21 1.88 -0.13 0.00 0.00 178.44 180.08 1aw9 h TYR 175 N -0.56 1.15 -0.99 1.25 -1.99 -1.19 -2.49 116.97 112.14 1aw9 h TYR 175 Ca -0.02 -0.12 0.09 0.00 2.00 0.00 0.00 58.73 60.68 1aw9 h TYR 175 Cb 0.49 -0.33 -0.07 0.00 2.00 0.00 0.00 36.73 38.82 1aw9 h TYR 175 CO -0.14 0.92 0.64 -0.07 -0.00 0.00 0.00 178.16 179.51 1aw9 h LEU 176 N 1.05 0.97 -2.55 3.88 3.38 -0.85 -1.32 115.31 119.85 1aw9 h LEU 176 Ca 0.23 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1aw9 h LEU 176 Cb 0.32 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1aw9 h LEU 176 CO -0.00 0.57 -0.01 0.77 0.09 0.00 0.00 178.44 179.86 1aw9 h SER 177 N 1.07 0.00 -0.29 -0.43 4.64 -0.75 -1.60 113.55 116.19 1aw9 h SER 177 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1aw9 h SER 177 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1aw9 h SER 177 CO -0.21 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.05 1aw9 n LYS 178 N -3.18 1.93 -3.90 4.77 5.02 -0.50 -4.69 118.16 117.60 1aw9 n LYS 178 Ca -0.02 -1.41 -0.23 0.00 -2.02 0.00 0.00 58.31 54.62 1aw9 n LYS 178 Cb 0.13 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1aw9 n LYS 178 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1aw9 s THR 179 N -1.62 2.49 -1.52 -0.18 -4.23 -0.60 -4.98 115.64 104.99 1aw9 s THR 179 Ca 0.32 -1.55 0.14 0.00 -1.18 0.00 0.00 61.69 59.41 1aw9 s THR 179 Cb 0.17 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 71.27 1aw9 s THR 179 CO 0.24 -0.01 1.34 -2.65 -0.54 0.00 0.00 174.62 173.01 1aw9 n PRO 180 N -1.36 0.23 -0.58 3.99 -0.02 -1.26 -1.51 135.00 134.49 1aw9 n PRO 180 Ca 0.01 0.13 0.09 0.00 -2.02 0.00 0.00 63.50 61.71 1aw9 n PRO 180 Cb 0.63 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.94 1aw9 n PRO 180 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1aw9 n LYS 181 N -1.24 3.67 0.23 -0.52 4.76 -1.26 -4.42 118.16 119.38 1aw9 n LYS 181 Ca 0.07 -2.83 0.15 0.00 -2.87 0.00 0.00 58.31 52.82 1aw9 n LYS 181 Cb 0.10 -1.86 0.81 0.00 -1.84 0.00 0.00 35.03 32.23 1aw9 n LYS 181 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aw9 h ALA 182 N 3.61 1.81 -0.15 7.82 0.00 -1.27 -2.17 119.26 128.90 1aw9 h ALA 182 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1aw9 h ALA 182 Cb 1.43 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1aw9 h ALA 182 CO 0.23 -0.15 0.22 0.78 0.00 0.00 0.00 179.25 180.33 1aw9 h GLY 183 N 0.00 0.00 1.41 0.00 0.00 -1.84 -1.59 103.07 101.05 1aw9 h GLY 183 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1aw9 h GLY 183 CO -0.00 0.00 0.32 1.41 0.00 0.00 0.00 176.54 178.27 1aw9 h LEU 184 N 0.00 0.46 0.00 3.11 3.38 -1.75 0.24 115.31 120.74 1aw9 h LEU 184 Ca 0.07 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1aw9 h LEU 184 Cb 0.50 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1aw9 h LEU 184 CO -0.00 0.31 -0.72 0.58 0.09 0.00 0.00 178.44 178.71 1aw9 h VAL 185 N 0.53 1.30 -0.86 1.22 2.07 -1.51 -3.38 116.25 115.62 1aw9 h VAL 185 Ca 0.20 -2.26 0.08 0.00 0.82 0.00 0.00 66.70 65.54 1aw9 h VAL 185 Cb 0.13 2.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 1aw9 h VAL 185 CO -0.05 0.46 0.56 0.00 0.02 0.00 0.00 177.57 178.56 1aw9 h ALA 186 N -0.26 1.61 0.00 1.67 0.00 -1.23 -1.73 119.26 119.33 1aw9 h ALA 186 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1aw9 h ALA 186 Cb 1.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1aw9 h ALA 186 CO -0.11 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1aw9 n ALA 187 N -2.41 2.12 -3.73 0.00 0.00 0.05 -4.36 120.51 112.18 1aw9 n ALA 187 Ca 0.14 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 1aw9 n ALA 187 Cb 0.26 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 1aw9 n ALA 187 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1aw9 s ARG 188 N -2.49 2.29 0.19 0.00 0.52 -0.65 -5.02 118.95 113.79 1aw9 s ARG 188 Ca 0.22 -1.39 -0.24 0.00 -0.52 0.00 0.00 55.73 53.79 1aw9 s ARG 188 Cb 0.14 -3.21 0.08 0.00 0.52 0.00 0.00 34.95 32.49 1aw9 s ARG 188 CO 0.31 -0.70 1.55 -1.35 0.02 0.00 0.00 175.30 175.13 1aw9 h PRO 189 N 7.96 -0.06 0.01 3.54 0.11 -1.82 0.15 132.00 141.88 1aw9 h PRO 189 Ca -0.19 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.73 1aw9 h PRO 189 Cb 1.05 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1aw9 h PRO 189 CO 0.55 -0.04 -0.88 0.45 -0.21 0.00 0.00 178.00 177.87 1aw9 h HIS 190 N -0.06 0.26 -0.18 0.65 3.86 -1.92 -1.69 115.15 116.06 1aw9 h HIS 190 Ca 0.24 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1aw9 h HIS 190 Cb 0.53 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1aw9 h HIS 190 CO -0.88 0.96 0.08 0.28 0.86 0.00 0.00 177.93 179.23 1aw9 h VAL 191 N 0.09 1.14 -0.12 2.45 2.07 -1.73 -0.03 116.25 120.12 1aw9 h VAL 191 Ca -0.04 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1aw9 h VAL 191 Cb 1.51 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 1aw9 h VAL 191 CO 0.13 0.13 -0.07 0.50 0.02 0.00 0.00 177.57 178.29 1aw9 h LYS 192 N 0.16 -0.06 -0.07 1.57 3.64 -0.68 0.11 116.57 121.24 1aw9 h LYS 192 Ca 0.06 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1aw9 h LYS 192 Cb 0.13 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1aw9 h LYS 192 CO -0.01 -0.04 -0.03 0.00 -2.27 0.00 0.00 179.45 177.11 1aw9 h ALA 193 N 1.05 0.04 -0.70 5.00 0.00 -1.23 0.13 119.26 123.55 1aw9 h ALA 193 Ca 0.07 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1aw9 h ALA 193 Cb 0.16 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1aw9 h ALA 193 CO -0.16 -0.50 0.32 2.35 0.00 0.00 0.00 179.25 181.26 1aw9 h TRP 194 N -0.02 0.57 -0.41 0.00 7.01 -0.52 0.19 115.95 122.78 1aw9 h TRP 194 Ca 0.04 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.98 1aw9 h TRP 194 Cb 0.07 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 1aw9 h TRP 194 CO -0.14 0.18 -0.10 2.35 -2.79 0.00 0.00 178.44 177.94 1aw9 h TRP 195 N 0.54 0.89 -0.06 2.65 -0.00 -0.40 -2.35 115.95 117.22 1aw9 h TRP 195 Ca 0.35 -0.19 -0.07 0.00 -0.00 0.00 0.00 58.89 58.98 1aw9 h TRP 195 Cb 0.41 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.34 1aw9 h TRP 195 CO -0.13 0.92 -0.29 0.93 -0.00 0.00 0.00 178.44 179.87 1aw9 h GLU 196 N 0.60 0.11 -0.61 2.65 5.08 0.22 -1.87 114.58 120.76 1aw9 h GLU 196 Ca 0.10 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1aw9 h GLU 196 Cb 0.63 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1aw9 h GLU 196 CO 0.04 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 1aw9 h ALA 197 N 1.61 0.82 -0.68 3.43 0.00 -0.41 -2.73 119.26 121.31 1aw9 h ALA 197 Ca 0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1aw9 h ALA 197 Cb 0.56 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1aw9 h ALA 197 CO 0.04 0.66 0.16 0.82 0.00 0.00 0.00 179.25 180.93 1aw9 h ILE 198 N 0.98 1.26 -0.21 0.00 2.04 -0.83 -2.77 117.51 117.98 1aw9 h ILE 198 Ca 0.17 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 1aw9 h ILE 198 Cb 0.56 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1aw9 h ILE 198 CO 0.03 0.37 -0.17 0.58 0.00 0.00 0.00 178.15 178.96 1aw9 h VAL 199 N 1.02 1.22 0.00 1.67 2.07 -1.33 -2.75 116.25 118.15 1aw9 h VAL 199 Ca 0.21 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1aw9 h VAL 199 Cb 0.38 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1aw9 h VAL 199 CO 0.00 0.32 -0.05 0.00 0.02 0.00 0.00 177.57 177.86 1aw9 h ALA 200 N 1.50 1.13 -2.67 1.67 0.00 -1.19 -3.39 119.26 116.30 1aw9 h ALA 200 Ca 0.06 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.40 1aw9 h ALA 200 Cb 0.49 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.34 1aw9 h ALA 200 CO 0.03 0.07 0.98 0.54 0.00 0.00 0.00 179.25 180.87 1aw9 n ARG 201 N -3.33 2.75 -0.16 0.00 1.74 -1.04 -4.89 116.66 111.73 1aw9 n ARG 201 Ca -0.01 0.99 -0.03 0.00 -0.77 0.00 0.00 57.85 58.03 1aw9 n ARG 201 Cb 0.21 -2.82 0.06 0.00 -1.02 0.00 0.00 32.46 28.89 1aw9 n ARG 201 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1aw9 h PRO 202 N 6.33 0.27 -0.51 5.56 0.11 -1.90 -0.45 132.00 141.42 1aw9 h PRO 202 Ca -0.44 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1aw9 h PRO 202 Cb 1.21 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1aw9 h PRO 202 CO 0.92 0.18 0.27 0.00 -0.21 0.00 0.00 178.00 179.16 1aw9 h ALA 203 N 1.36 0.65 -0.48 -0.75 0.00 -1.90 -1.60 119.26 116.53 1aw9 h ALA 203 Ca 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1aw9 h ALA 203 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1aw9 h ALA 203 CO -0.29 -0.07 0.12 0.35 0.00 0.00 0.00 179.25 179.36 1aw9 h PHE 204 N 0.52 0.75 -0.88 0.00 3.57 -1.59 -1.33 116.94 117.98 1aw9 h PHE 204 Ca 0.22 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1aw9 h PHE 204 Cb 0.11 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 1aw9 h PHE 204 CO -0.09 0.63 0.58 1.96 -2.23 0.00 0.00 178.31 179.16 1aw9 h GLN 205 N 0.71 1.09 0.17 1.11 1.08 -0.19 -0.58 115.11 118.50 1aw9 h GLN 205 Ca 0.16 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1aw9 h GLN 205 Cb 0.26 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1aw9 h GLN 205 CO -0.00 0.72 -0.08 -0.22 -0.95 0.00 0.00 178.83 178.29 1aw9 h LYS 206 N 1.12 -0.22 -0.16 1.46 3.64 -0.62 -1.94 116.57 119.84 1aw9 h LYS 206 Ca 0.34 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.79 1aw9 h LYS 206 Cb -0.02 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 1aw9 h LYS 206 CO -0.10 0.08 -0.29 1.15 -2.27 0.00 0.00 179.45 178.02 1aw9 h THR 207 N -0.54 0.32 -0.85 1.00 2.02 -0.71 -0.78 112.91 113.37 1aw9 h THR 207 Ca -0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.25 1aw9 h THR 207 Cb 0.41 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 67.07 1aw9 h THR 207 CO 0.04 0.00 0.50 0.58 0.37 0.00 0.00 175.52 177.01 1aw9 h VAL 208 N -0.35 0.94 -0.60 3.16 2.07 -1.13 -1.08 116.25 119.26 1aw9 h VAL 208 Ca 0.11 -0.29 0.12 0.00 0.82 0.00 0.00 66.70 67.45 1aw9 h VAL 208 Cb 0.52 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1aw9 h VAL 208 CO -0.36 0.16 0.40 0.00 0.02 0.00 0.00 177.57 177.79 1aw9 h ALA 209 N 1.45 2.14 0.00 1.67 0.00 -0.34 -2.45 119.26 121.73 1aw9 h ALA 209 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1aw9 h ALA 209 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1aw9 h ALA 209 CO -0.23 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.73 1aw9 h ALA 210 N 1.70 1.00 -2.27 0.00 0.00 -0.50 -3.45 119.26 115.74 1aw9 h ALA 210 Ca 0.28 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.64 1aw9 h ALA 210 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1aw9 h ALA 210 CO -0.07 0.00 0.96 0.42 0.00 0.00 0.00 179.25 180.56 1aw9 s ILE 211 N -3.16 3.80 -0.44 0.00 1.01 -0.93 -4.87 121.20 116.61 1aw9 s ILE 211 Ca 0.09 1.04 -0.05 0.00 0.00 0.00 0.00 60.65 61.73 1aw9 s ILE 211 Cb 0.09 -3.67 -0.11 0.00 0.01 0.00 0.00 42.46 38.77 1aw9 s ILE 211 CO 0.62 -0.06 2.30 -0.81 0.00 0.00 0.00 174.94 177.00 1aw9 n PRO 212 N 6.44 1.67 -2.14 2.79 -0.04 -1.26 -4.92 135.00 137.54 1aw9 n PRO 212 Ca 0.15 -1.02 -0.42 0.00 -0.04 0.00 0.00 63.50 62.17 1aw9 n PRO 212 Cb 0.44 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 1aw9 n PRO 212 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1aw9 s LEU 213 N 0.05 4.36 0.93 1.53 2.01 -1.26 -5.00 118.68 121.30 1aw9 s LEU 213 Ca 0.41 2.32 -0.11 0.00 0.01 0.00 0.00 54.13 56.77 1aw9 s LEU 213 Cb 0.16 -3.58 0.15 0.00 0.01 0.00 0.00 46.19 42.93 1aw9 s LEU 213 CO -0.02 -0.70 1.11 -2.16 1.01 0.00 0.00 176.35 175.60 1aw9 s PRO 214 N 1.45 0.94 0.44 1.29 0.04 -1.26 -5.02 135.00 132.87 1aw9 s PRO 214 Ca 0.66 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 1aw9 s PRO 214 Cb -0.37 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 1aw9 s PRO 214 CO 0.30 -2.60 0.82 -1.25 0.04 0.00 0.00 177.00 174.31 1aw9 s PRO 215 N -4.69 3.78 1.18 0.56 0.04 -1.26 -5.08 135.00 129.53 1aw9 s PRO 215 Ca 0.66 0.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.07 1aw9 s PRO 215 Cb -0.22 -2.33 0.23 0.00 0.04 0.00 0.00 34.50 32.23 1aw9 s PRO 215 CO 0.59 -0.11 0.49 -2.30 0.04 0.00 0.00 177.00 175.70 1aw9 n PRO 216 N -1.48 -2.96 0.00 0.56 -0.02 -1.26 -5.34 135.00 124.49 1aw9 n PRO 216 Ca 0.03 -0.87 0.05 0.00 -2.02 0.00 0.00 63.50 60.69 1aw9 n PRO 216 Cb 0.54 -1.70 0.29 0.00 -0.02 0.00 0.00 33.50 32.61 1aw9 n PRO 216 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18