#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1awh s VAL 17 N 0.00 4.73 -0.94 1.39 1.01 0.25 -4.49 120.40 122.34 1awh s VAL 17 Ca 0.00 1.41 -0.02 0.00 0.00 0.00 0.00 61.98 63.36 1awh s VAL 17 Cb 0.00 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1awh s VAL 17 CO 0.00 0.46 0.81 1.21 0.00 0.00 0.00 175.10 177.57 1awh n GLU 18 N 2.30 -3.77 -1.59 2.72 4.07 -1.26 -1.91 120.64 121.20 1awh n GLU 18 Ca -0.06 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.76 1awh n GLU 18 Cb 0.50 -5.23 0.00 0.00 -0.06 0.00 0.00 31.44 26.65 1awh n GLU 18 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1awh n GLY 19 N -1.19 4.24 3.51 8.31 0.00 -1.26 -4.59 105.19 114.20 1awh n GLY 19 Ca -0.15 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 1awh n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1awh s SER 20 N -0.60 3.00 0.44 1.61 1.04 0.12 -4.86 113.70 114.44 1awh s SER 20 Ca 0.00 -1.35 -0.25 0.00 0.48 0.00 0.00 55.95 54.83 1awh s SER 20 Cb 0.00 -0.22 -0.09 0.00 0.10 0.00 0.00 66.02 65.81 1awh s SER 20 CO 0.00 -0.51 1.22 0.47 0.98 0.00 0.00 173.24 175.40 1awh n ASP 21 N -0.78 2.27 -4.87 7.02 8.00 -1.26 -0.32 116.55 126.60 1awh n ASP 21 Ca -0.04 1.08 -0.30 0.00 0.71 0.00 0.00 54.79 56.24 1awh n ASP 21 Cb 0.66 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.27 1awh n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1awh s ALA 22 N -1.23 3.21 0.35 2.24 0.00 0.24 -4.58 121.76 122.00 1awh s ALA 22 Ca 0.63 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 1awh s ALA 22 Cb -0.51 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1awh s ALA 22 CO 0.57 -0.33 0.65 -1.21 0.00 0.00 0.00 175.76 175.43 1awh s GLU 23 N -4.47 3.64 0.22 0.00 2.02 -1.26 -4.97 118.70 113.88 1awh s GLU 23 Ca 0.54 0.12 -0.32 0.00 0.02 0.00 0.00 54.97 55.33 1awh s GLU 23 Cb -0.10 -2.54 -0.12 0.00 0.10 0.00 0.00 34.13 31.47 1awh s GLU 23 CO 0.41 0.08 1.70 0.42 0.02 0.00 0.00 175.26 177.89 1awh s ILE 24 N -2.28 2.04 0.00 -1.63 1.01 -1.26 -0.19 121.20 118.89 1awh s ILE 24 Ca 0.46 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1awh s ILE 24 Cb -0.10 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1awh s ILE 24 CO 0.33 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1awh n GLY 25 N 3.74 2.59 0.23 6.18 0.00 -1.26 -4.89 105.19 111.78 1awh n GLY 25 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1awh n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1awh h MET 26 N 1.72 0.04 -2.12 1.61 -1.53 -0.94 -3.32 114.93 110.39 1awh h MET 26 Ca 0.00 -0.01 -0.54 0.00 -3.44 0.00 0.00 59.70 55.71 1awh h MET 26 Cb 0.00 -0.01 -0.41 0.00 -0.55 0.00 0.00 31.60 30.64 1awh h MET 26 CO 0.00 0.19 -0.94 0.45 0.14 0.00 0.00 176.91 176.75 1awh n SER 27 N -4.35 2.31 0.29 1.39 2.88 -1.26 -4.94 113.62 109.94 1awh n SER 27 Ca -0.02 -3.25 0.17 0.00 -1.33 0.00 0.00 58.87 54.44 1awh n SER 27 Cb 0.23 -0.61 0.92 0.00 -0.75 0.00 0.00 64.21 64.00 1awh n SER 27 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1awh h PRO 28 N 3.21 0.00 -0.00 -1.46 0.11 -1.76 -1.36 132.00 130.74 1awh h PRO 28 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1awh h PRO 28 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1awh h PRO 28 CO 0.64 0.00 -0.15 -2.67 -0.21 0.00 0.00 178.00 175.61 1awh n TRP 29 N -2.79 0.00 -1.94 0.65 2.14 -0.88 -1.25 117.44 113.36 1awh n TRP 29 Ca -0.02 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.15 1awh n TRP 29 Cb 0.17 -0.23 -0.03 0.00 -0.81 0.00 0.00 31.31 30.41 1awh n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1awh s GLN 30 N -2.61 2.74 0.42 -2.67 2.00 -0.51 0.10 119.66 119.12 1awh s GLN 30 Ca 0.24 0.98 -0.10 0.00 -2.00 0.00 0.00 55.36 54.49 1awh s GLN 30 Cb 0.20 -4.37 -0.06 0.00 0.80 0.00 0.00 33.01 29.58 1awh s GLN 30 CO 0.51 -2.58 0.78 0.08 -0.50 0.00 0.00 175.29 173.58 1awh s VAL 31 N 8.99 4.80 -0.15 1.34 1.01 -0.56 -3.39 120.40 132.44 1awh s VAL 31 Ca 0.76 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1awh s VAL 31 Cb -0.16 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1awh s VAL 31 CO 0.25 -0.58 -0.13 -0.32 0.00 0.00 0.00 175.10 174.32 1awh s MET 32 N -4.00 2.17 -0.46 2.72 1.75 -1.17 -1.05 119.30 119.26 1awh s MET 32 Ca 0.51 -0.57 -0.25 0.00 -1.25 0.00 0.00 55.69 54.12 1awh s MET 32 Cb -0.10 -2.10 0.03 0.00 2.84 0.00 0.00 34.83 35.49 1awh s MET 32 CO 0.34 -0.27 0.91 -1.17 -0.65 0.00 0.00 175.02 174.18 1awh s LEU 33 N 1.50 4.04 0.08 4.11 1.98 -0.19 -0.34 118.68 129.85 1awh s LEU 33 Ca 0.04 0.08 0.07 0.00 -2.89 0.00 0.00 54.13 51.43 1awh s LEU 33 Cb -0.13 -3.17 -0.04 0.00 0.66 0.00 0.00 46.19 43.51 1awh s LEU 33 CO -0.10 -1.04 -0.12 0.12 -1.89 0.00 0.00 176.35 173.32 1awh s PHE 34 N 3.70 2.70 -0.14 5.38 5.36 -0.16 -0.75 117.98 134.07 1awh s PHE 34 Ca 0.36 -0.17 -0.07 0.00 -0.96 0.00 0.00 56.93 56.09 1awh s PHE 34 Cb -0.10 -1.46 -0.04 0.00 -0.34 0.00 0.00 43.02 41.08 1awh s PHE 34 CO 0.26 0.38 0.13 0.50 -1.46 0.00 0.00 175.22 175.02 1awh s ARG 35 N -1.91 3.63 -0.01 10.12 3.52 0.00 -1.01 118.95 133.30 1awh s ARG 35 Ca 0.19 -0.18 -0.10 0.00 -0.13 0.00 0.00 55.73 55.51 1awh s ARG 35 Cb -0.11 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.00 1awh s ARG 35 CO 0.10 0.63 0.67 -0.22 -0.81 0.00 0.00 175.30 175.67 1awh h LYS 36 N 5.51 -0.33 -4.38 5.12 3.64 -1.56 -3.27 116.57 121.29 1awh h LYS 36 Ca -0.50 0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.39 1awh h LYS 36 Cb 1.20 0.08 -0.35 0.00 -0.41 0.00 0.00 32.23 32.75 1awh h LYS 36 CO 0.63 -0.22 -0.81 -1.54 -2.27 0.00 0.00 179.45 175.24 1awh s SER 37 N -3.57 1.89 0.69 4.20 1.04 -1.26 -2.30 113.70 114.39 1awh s SER 37 Ca -0.05 -0.29 -0.11 0.00 0.48 0.00 0.00 55.95 55.98 1awh s SER 37 Cb 0.01 -0.81 0.00 0.00 0.10 0.00 0.00 66.02 65.32 1awh s SER 37 CO 0.15 -0.04 1.06 -2.16 0.98 0.00 0.00 173.24 173.24 1awh s PRO 37 N 1.11 2.98 -0.11 4.02 0.04 -1.26 -5.07 135.00 136.71 1awh s PRO 37 Ca -0.06 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 61.47 1awh s PRO 37 Cb -0.14 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1awh s PRO 37 CO -0.01 -1.02 1.92 -0.65 0.04 0.00 0.00 177.00 177.27 1awh s GLN 38 N -5.14 3.78 0.06 4.56 -0.21 -0.97 -4.58 119.66 117.16 1awh s GLN 38 Ca 0.58 2.17 -0.26 0.00 0.02 0.00 0.00 55.36 57.87 1awh s GLN 38 Cb -0.13 -4.17 0.07 0.00 1.00 0.00 0.00 33.01 29.78 1awh s GLN 38 CO 0.54 -1.34 0.63 -2.00 -2.12 0.00 0.00 175.29 171.00 1awh s GLU 39 N 4.99 1.16 -0.24 2.91 2.12 -1.24 -5.00 118.70 123.40 1awh s GLU 39 Ca 0.86 -0.12 -0.12 0.00 0.36 0.00 0.00 54.97 55.94 1awh s GLU 39 Cb -0.35 0.54 -0.05 0.00 0.26 0.00 0.00 34.13 34.54 1awh s GLU 39 CO 0.36 -0.44 0.23 -1.17 -0.54 0.00 0.00 175.26 173.70 1awh s LEU 40 N -1.98 4.11 -0.21 2.70 1.98 -1.26 -0.82 118.68 123.20 1awh s LEU 40 Ca -0.05 0.20 -0.19 0.00 -2.89 0.00 0.00 54.13 51.21 1awh s LEU 40 Cb -0.01 -2.22 -0.15 0.00 0.66 0.00 0.00 46.19 44.47 1awh s LEU 40 CO -0.02 0.01 0.06 0.18 -1.89 0.00 0.00 176.35 174.69 1awh n LEU 41 N 4.47 1.86 0.00 -0.68 4.77 0.07 -4.95 117.00 122.54 1awh n LEU 41 Ca -0.13 0.45 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 1awh n LEU 41 Cb 0.52 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1awh n LEU 41 CO 0.36 0.18 0.03 0.00 -1.33 0.00 0.00 177.39 176.63 1awh s GLY 43 N -1.17 1.86 0.15 0.00 0.00 -0.92 -1.02 107.32 106.21 1awh s GLY 43 Ca 0.02 -1.67 -0.04 0.00 0.00 0.00 0.00 44.72 43.03 1awh s GLY 43 CO 0.01 -1.54 0.27 0.00 0.00 0.00 0.00 173.10 171.85 1awh n ALA 44 N -1.58 -0.54 -2.94 3.20 0.00 -0.22 -2.98 120.51 115.45 1awh n ALA 44 Ca 0.02 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.84 1awh n ALA 44 Cb 0.60 0.42 -0.12 0.00 0.00 0.00 0.00 19.45 20.34 1awh n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1awh s SER 45 N -1.80 0.24 -0.43 0.00 0.15 -0.39 -1.49 113.70 109.98 1awh s SER 45 Ca 0.07 -0.38 -0.22 0.00 0.70 0.00 0.00 55.95 56.13 1awh s SER 45 Cb -0.02 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.38 1awh s SER 45 CO 0.05 -0.21 0.71 -0.22 1.20 0.00 0.00 173.24 174.77 1awh s LEU 46 N -1.09 4.34 0.00 3.45 0.20 0.28 -1.14 118.68 124.72 1awh s LEU 46 Ca -0.11 -0.14 0.16 0.00 0.69 0.00 0.00 54.13 54.73 1awh s LEU 46 Cb -0.07 -2.85 -0.07 0.00 -0.43 0.00 0.00 46.19 42.76 1awh s LEU 46 CO -0.01 -0.81 0.77 2.30 -0.29 0.00 0.00 176.35 178.32 1awh n ILE 47 N 5.93 0.00 -3.82 6.68 -5.35 -0.00 -1.75 119.36 121.05 1awh n ILE 47 Ca 0.00 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.15 1awh n ILE 47 Cb 0.48 1.11 0.02 0.00 -1.74 0.00 0.00 39.64 39.51 1awh n ILE 47 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1awh s SER 48 N -2.12 -0.02 0.54 7.28 0.15 -1.17 -4.67 113.70 113.69 1awh s SER 48 Ca 0.10 -1.07 0.21 0.00 0.70 0.00 0.00 55.95 55.89 1awh s SER 48 Cb 0.12 0.82 1.43 0.00 -1.71 0.00 0.00 66.02 66.68 1awh s SER 48 CO 0.50 -1.62 2.14 -2.24 1.20 0.00 0.00 173.24 173.21 1awh h ASP 49 N 2.00 0.00 -0.00 5.45 2.03 -1.97 -3.31 116.42 120.62 1awh h ASP 49 Ca -0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 1awh h ASP 49 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1awh h ASP 49 CO 0.39 0.00 -0.12 -2.11 -1.03 0.00 0.00 179.24 176.36 1awh n ARG 50 N -4.31 2.43 -5.20 4.15 0.00 -1.26 -0.23 116.66 112.23 1awh n ARG 50 Ca -0.00 -0.45 -0.32 0.00 -0.00 0.00 0.00 57.85 57.08 1awh n ARG 50 Cb 0.20 -0.95 -0.16 0.00 -0.00 0.00 0.00 32.46 31.55 1awh n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1awh s TRP 51 N -1.00 2.50 -0.01 2.89 0.52 -1.25 0.23 118.94 122.81 1awh s TRP 51 Ca 0.05 -0.73 0.05 0.00 0.02 0.00 0.00 56.10 55.49 1awh s TRP 51 Cb 0.05 -1.63 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 1awh s TRP 51 CO 0.15 -0.22 -0.16 0.08 0.02 0.00 0.00 176.95 176.82 1awh s VAL 52 N -0.09 1.28 -0.07 4.03 1.01 -0.83 -0.82 120.40 124.90 1awh s VAL 52 Ca -0.05 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1awh s VAL 52 Cb -0.14 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 1awh s VAL 52 CO 0.04 0.36 -0.23 -0.22 0.00 0.00 0.00 175.10 175.06 1awh s LEU 53 N -0.34 2.02 0.25 3.92 2.96 -0.29 0.17 118.68 127.38 1awh s LEU 53 Ca 0.05 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1awh s LEU 53 Cb -0.07 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 1awh s LEU 53 CO -0.00 0.19 0.25 0.28 -1.32 0.00 0.00 176.35 175.74 1awh s THR 54 N 0.09 0.00 0.27 3.68 -1.32 0.82 -1.26 115.64 117.92 1awh s THR 54 Ca -0.09 -1.88 -0.29 0.00 -1.21 0.00 0.00 61.69 58.21 1awh s THR 54 Cb -0.15 -2.48 -0.09 0.00 -1.51 0.00 0.00 72.50 68.27 1awh s THR 54 CO 0.05 0.00 1.13 0.00 -2.21 0.00 0.00 174.62 173.59 1awh s ALA 55 N -3.84 3.42 0.16 11.08 0.00 -1.26 -0.22 121.76 131.10 1awh s ALA 55 Ca 0.36 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 53.07 1awh s ALA 55 Cb 0.04 -3.35 0.08 0.00 0.00 0.00 0.00 23.12 19.89 1awh s ALA 55 CO 0.16 -0.22 1.66 0.00 0.00 0.00 0.00 175.76 177.36 1awh h ALA 56 N 3.95 0.17 0.00 0.00 0.00 -1.63 -2.33 119.26 119.42 1awh h ALA 56 Ca -0.47 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1awh h ALA 56 Cb 1.21 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1awh h ALA 56 CO 0.68 -0.50 0.09 -2.39 0.00 0.00 0.00 179.25 177.13 1awh n HIS 57 N -5.32 0.00 0.13 0.00 1.44 -1.26 -0.26 115.22 109.96 1awh n HIS 57 Ca 0.01 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.75 1awh n HIS 57 Cb 0.23 -0.18 0.02 0.00 0.12 0.00 0.00 29.99 30.18 1awh n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1awh n LEU 59 N -3.20 1.89 -4.16 0.00 4.77 0.65 -4.89 117.00 112.06 1awh n LEU 59 Ca 0.01 0.32 -0.38 0.00 -0.03 0.00 0.00 56.01 55.94 1awh n LEU 59 Cb 0.74 -0.75 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1awh n LEU 59 CO 0.41 0.02 -0.13 -0.22 -1.33 0.00 0.00 177.39 176.13 1awh s LEU 60 N -7.72 5.28 0.21 2.23 2.96 -0.98 -1.93 118.68 118.74 1awh s LEU 60 Ca -0.31 -1.90 0.01 0.00 -0.22 0.00 0.00 54.13 51.71 1awh s LEU 60 Cb 0.08 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1awh s LEU 60 CO 0.43 -0.57 0.05 -0.47 -1.32 0.00 0.00 176.35 174.48 1awh s TYR 60 N 1.24 1.35 0.00 5.38 5.04 0.89 -4.34 117.35 126.91 1awh s TYR 60 Ca 0.06 -1.12 0.00 0.00 -2.44 0.00 0.00 57.07 53.57 1awh s TYR 60 Cb -0.24 -0.78 0.00 0.00 0.35 0.00 0.00 41.96 41.30 1awh s TYR 60 CO -0.02 -0.30 0.00 -0.35 -1.34 0.00 0.00 175.55 173.53 1awh n PRO 60 N -0.34 -0.02 0.00 4.97 -0.04 -1.26 -3.51 135.00 134.79 1awh n PRO 60 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1awh n PRO 60 Cb 0.65 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1awh n PRO 60 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1awh n TRP 60 N 0.08 0.00 -4.48 0.54 7.02 -1.26 -4.98 117.44 114.36 1awh n TRP 60 Ca 0.00 -0.31 -0.41 0.00 -1.02 0.00 0.00 57.50 55.75 1awh n TRP 60 Cb 0.00 -0.03 -0.07 0.00 -2.42 0.00 0.00 31.31 28.79 1awh n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1awh n ASP 60 N -0.31 -2.05 -4.23 -0.99 8.00 -1.23 -4.89 116.55 110.85 1awh n ASP 60 Ca 0.00 -1.20 -0.40 0.00 0.71 0.00 0.00 54.79 53.89 1awh n ASP 60 Cb 0.34 -1.83 -0.09 0.00 -0.02 0.00 0.00 41.12 39.51 1awh n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1awh s LYS 60 N -7.19 2.51 -0.35 -1.24 2.20 -1.25 -4.99 119.74 109.43 1awh s LYS 60 Ca 0.80 -1.63 0.04 0.00 -0.36 0.00 0.00 55.97 54.82 1awh s LYS 60 Cb -0.46 -3.84 0.16 0.00 -1.51 0.00 0.00 37.83 32.18 1awh s LYS 60 CO 1.01 -1.08 0.45 1.21 -0.36 0.00 0.00 175.35 176.58 1awh s ASN 60 N 2.38 0.26 0.33 1.43 3.84 -1.21 -0.08 114.94 121.88 1awh s ASN 60 Ca 0.05 -0.94 0.07 0.00 0.21 0.00 0.00 52.86 52.24 1awh s ASN 60 Cb -0.25 1.08 -0.02 0.00 -0.55 0.00 0.00 41.25 41.52 1awh s ASN 60 CO 0.00 -0.28 0.42 -0.36 -2.79 0.00 0.00 177.10 174.09 1awh s PHE 60 N 1.95 3.09 0.09 0.43 0.40 -0.81 -5.02 117.98 118.12 1awh s PHE 60 Ca 0.14 -0.22 -0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1awh s PHE 60 Cb -0.12 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 1awh s PHE 60 CO -0.15 0.08 0.15 0.95 0.70 0.00 0.00 175.22 176.96 1awh s THR 60 N -2.19 0.15 0.00 0.64 -4.23 -1.26 -4.85 115.64 103.90 1awh s THR 60 Ca 0.43 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1awh s THR 60 Cb -0.09 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1awh s THR 60 CO 0.30 -0.68 0.01 -0.62 -0.54 0.00 0.00 174.62 173.09 1awh n GLU 61 N -0.04 0.00 0.00 3.99 4.71 -1.26 0.69 120.64 128.73 1awh n GLU 61 Ca -0.14 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 1awh n GLU 61 Cb 0.62 -0.02 0.00 0.00 -1.01 0.00 0.00 31.44 31.03 1awh n GLU 61 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1awh n ASN 62 N -1.93 0.00 0.00 1.62 6.94 -1.26 -0.84 115.26 119.78 1awh n ASN 62 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1awh n ASN 62 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1awh n ASN 62 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1awh n ASP 63 N -0.09 4.05 -4.87 0.53 9.92 0.22 -5.00 116.55 121.31 1awh n ASP 63 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 1awh n ASP 63 Cb 0.00 0.21 -0.05 0.00 -0.64 0.00 0.00 41.12 40.64 1awh n ASP 63 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1awh s LEU 64 N -4.32 4.02 -0.03 0.64 2.01 -0.02 -1.44 118.68 119.54 1awh s LEU 64 Ca 0.00 1.08 0.01 0.00 0.01 0.00 0.00 54.13 55.23 1awh s LEU 64 Cb 0.00 -3.90 0.02 0.00 0.01 0.00 0.00 46.19 42.32 1awh s LEU 64 CO 0.00 -0.23 -0.03 -0.22 1.01 0.00 0.00 176.35 176.89 1awh s LEU 65 N -3.25 1.35 -0.14 1.79 1.98 -0.18 -4.50 118.68 115.73 1awh s LEU 65 Ca 0.50 -0.08 -0.08 0.00 -2.89 0.00 0.00 54.13 51.58 1awh s LEU 65 Cb -0.11 -0.33 -0.04 0.00 0.66 0.00 0.00 46.19 46.37 1awh s LEU 65 CO 0.24 -0.06 0.15 -0.69 -1.89 0.00 0.00 176.35 174.10 1awh s VAL 66 N 0.83 5.47 -0.27 1.68 1.01 -0.60 -0.99 120.40 127.52 1awh s VAL 66 Ca -0.10 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1awh s VAL 66 Cb -0.13 -3.43 0.08 0.00 0.00 0.00 0.00 36.38 32.90 1awh s VAL 66 CO -0.01 0.57 0.01 -0.13 0.00 0.00 0.00 175.10 175.54 1awh s ARG 67 N -0.62 1.33 0.09 2.72 0.52 0.54 -1.33 118.95 122.19 1awh s ARG 67 Ca 0.13 -1.18 -0.27 0.00 -0.52 0.00 0.00 55.73 53.90 1awh s ARG 67 Cb -0.12 -2.56 -0.06 0.00 0.52 0.00 0.00 34.95 32.74 1awh s ARG 67 CO 0.03 -0.77 0.83 0.42 0.02 0.00 0.00 175.30 175.83 1awh s ILE 68 N 1.36 4.59 0.00 1.52 1.01 0.13 -3.05 121.20 126.77 1awh s ILE 68 Ca 0.02 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.46 1awh s ILE 68 Cb -0.18 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1awh s ILE 68 CO -0.11 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1awh n GLY 69 N 2.21 1.00 3.65 6.18 0.00 -1.22 -0.37 105.19 116.65 1awh n GLY 69 Ca -0.01 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1awh n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1awh s LYS 70 N -0.75 2.03 0.08 1.61 -2.85 -1.26 -4.18 119.74 114.41 1awh s LYS 70 Ca 0.00 -2.01 0.00 0.00 -1.00 0.00 0.00 55.97 52.96 1awh s LYS 70 Cb 0.00 -1.75 0.00 0.00 -2.06 0.00 0.00 37.83 34.02 1awh s LYS 70 CO 0.00 -0.05 0.00 1.58 0.10 0.00 0.00 175.35 176.98 1awh n HIS 71 N -1.04 -0.00 -1.78 1.78 -0.00 -1.26 -4.88 115.22 108.04 1awh n HIS 71 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.27 1awh n HIS 71 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.65 1awh n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1awh s SER 72 N -5.76 6.24 0.30 0.26 0.15 -1.26 -0.42 113.70 113.22 1awh s SER 72 Ca 0.00 3.06 0.03 0.00 0.70 0.00 0.00 55.95 59.74 1awh s SER 72 Cb 0.00 -2.67 0.48 0.00 -1.71 0.00 0.00 66.02 62.12 1awh s SER 72 CO 0.00 -0.94 1.79 -0.09 1.20 0.00 0.00 173.24 175.19 1awh h ARG 73 N 2.87 0.53 0.00 5.44 2.43 -0.58 -3.41 114.38 121.66 1awh h ARG 73 Ca -0.51 -0.16 -0.18 0.00 -0.81 0.00 0.00 59.98 58.32 1awh h ARG 73 Cb 1.24 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1awh h ARG 73 CO 0.64 0.65 -1.48 0.25 -1.51 0.00 0.00 179.97 178.51 1awh n THR 74 N -4.19 0.93 -1.59 0.20 -2.24 -1.26 -5.07 114.28 101.06 1awh n THR 74 Ca 0.01 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.25 1awh n THR 74 Cb 0.33 -1.77 -0.02 0.00 -2.10 0.00 0.00 70.33 66.78 1awh n THR 74 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1awh n ARG 75 N -3.73 1.33 -2.13 -0.78 0.63 -1.26 -4.88 116.66 105.84 1awh n ARG 75 Ca -0.23 0.47 -0.41 0.00 -0.92 0.00 0.00 57.85 56.76 1awh n ARG 75 Cb 0.59 -1.84 -0.02 0.00 0.45 0.00 0.00 32.46 31.64 1awh n ARG 75 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1awh s TYR 76 N -1.01 3.12 -0.58 -0.14 5.04 -1.26 -4.86 117.35 117.66 1awh s TYR 76 Ca 0.59 1.26 -0.06 0.00 -2.44 0.00 0.00 57.07 56.42 1awh s TYR 76 Cb -0.71 -3.68 0.15 0.00 0.35 0.00 0.00 41.96 38.07 1awh s TYR 76 CO 0.59 -2.05 0.43 -1.21 -1.34 0.00 0.00 175.55 171.98 1awh s GLU 77 N -0.87 2.61 0.09 4.97 2.02 -1.26 -4.99 118.70 121.26 1awh s GLU 77 Ca 0.54 -2.23 -0.34 0.00 0.02 0.00 0.00 54.97 52.96 1awh s GLU 77 Cb -0.39 -3.86 -0.16 0.00 0.10 0.00 0.00 34.13 29.83 1awh s GLU 77 CO 0.45 -1.18 1.58 -0.09 0.02 0.00 0.00 175.26 176.04 1awh h ARG 77 N 7.64 -0.88 -1.06 1.61 2.43 -1.92 -0.80 114.38 121.40 1awh h ARG 77 Ca -0.06 0.06 -0.63 0.00 -0.81 0.00 0.00 59.98 58.54 1awh h ARG 77 Cb 1.01 0.20 -0.36 0.00 -0.42 0.00 0.00 29.97 30.40 1awh h ARG 77 CO 0.75 -0.59 0.04 0.09 -1.51 0.00 0.00 179.97 178.75 1awh n ASN 78 N -5.53 6.25 -0.02 -3.80 4.13 -1.26 -4.63 115.26 110.40 1awh n ASN 78 Ca -0.11 -3.77 -0.05 0.00 1.68 0.00 0.00 54.58 52.33 1awh n ASN 78 Cb 0.43 -0.67 -0.02 0.00 -1.54 0.00 0.00 39.78 37.98 1awh n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1awh n ILE 79 N -0.75 0.47 -4.18 2.41 5.41 -0.80 -5.09 119.36 116.83 1awh n ILE 79 Ca 0.52 0.01 -0.34 0.00 1.00 0.00 0.00 62.75 63.94 1awh n ILE 79 Cb 0.74 -1.60 -0.08 0.00 -0.71 0.00 0.00 39.64 37.99 1awh n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1awh s GLU 80 N -2.11 3.06 -0.18 0.38 -1.05 -0.37 -4.83 118.70 113.60 1awh s GLU 80 Ca -0.07 -0.43 -0.03 0.00 -0.15 0.00 0.00 54.97 54.30 1awh s GLU 80 Cb 0.02 -2.86 -0.01 0.00 -0.44 0.00 0.00 34.13 30.84 1awh s GLU 80 CO 0.09 0.68 -0.07 0.15 0.95 0.00 0.00 175.26 177.06 1awh s LYS 81 N -1.34 3.43 0.11 -4.83 1.02 0.51 -4.93 119.74 113.70 1awh s LYS 81 Ca 0.18 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.27 1awh s LYS 81 Cb -0.12 -2.87 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 1awh s LYS 81 CO 0.08 0.01 0.89 0.42 -0.92 0.00 0.00 175.35 175.83 1awh s ILE 82 N 0.92 4.51 0.00 2.17 1.01 -1.26 0.23 121.20 128.78 1awh s ILE 82 Ca -0.01 1.92 0.00 0.00 0.00 0.00 0.00 60.65 62.56 1awh s ILE 82 Cb -0.15 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1awh s ILE 82 CO 0.00 0.37 0.00 -1.54 0.00 0.00 0.00 174.94 173.77 1awh n SER 83 N 2.56 0.00 -4.03 3.58 3.41 -0.45 -4.99 113.62 113.71 1awh n SER 83 Ca -0.00 -0.91 -0.10 0.00 -0.26 0.00 0.00 58.87 57.60 1awh n SER 83 Cb 0.49 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 1awh n SER 83 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1awh s MET 84 N -1.73 1.39 0.11 4.33 -1.94 -1.26 -1.55 119.30 118.65 1awh s MET 84 Ca 0.00 -1.31 0.06 0.00 -1.71 0.00 0.00 55.69 52.73 1awh s MET 84 Cb 0.00 0.41 -0.04 0.00 2.01 0.00 0.00 34.83 37.21 1awh s MET 84 CO 0.00 -0.54 -0.01 -0.51 -0.01 0.00 0.00 175.02 173.95 1awh s LEU 85 N -3.04 3.40 -0.19 -0.03 1.43 -1.26 -0.15 118.68 118.84 1awh s LEU 85 Ca 0.25 -0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 1awh s LEU 85 Cb 0.02 -2.12 -0.20 0.00 0.03 0.00 0.00 46.19 43.91 1awh s LEU 85 CO 0.08 0.15 0.22 1.21 0.23 0.00 0.00 176.35 178.24 1awh n GLU 86 N 0.41 0.61 -4.13 1.70 2.13 0.25 -4.56 120.64 117.05 1awh n GLU 86 Ca -0.11 0.49 -0.12 0.00 0.66 0.00 0.00 57.16 58.08 1awh n GLU 86 Cb 0.53 -1.72 -0.08 0.00 0.27 0.00 0.00 31.44 30.43 1awh n GLU 86 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1awh s LYS 87 N -2.42 1.39 -0.00 5.31 -0.14 -1.21 -4.93 119.74 117.73 1awh s LYS 87 Ca -0.28 -1.54 0.02 0.00 -1.36 0.00 0.00 55.97 52.81 1awh s LYS 87 Cb 0.07 0.35 -0.01 0.00 -1.68 0.00 0.00 37.83 36.56 1awh s LYS 87 CO 0.63 -0.51 -0.07 0.42 -0.76 0.00 0.00 175.35 175.06 1awh s ILE 88 N -4.00 0.54 -0.20 2.17 1.01 -1.26 -1.84 121.20 117.61 1awh s ILE 88 Ca 0.33 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1awh s ILE 88 Cb 0.04 -0.45 0.05 0.00 0.01 0.00 0.00 42.46 42.10 1awh s ILE 88 CO 0.12 0.15 -0.08 -0.31 0.00 0.00 0.00 174.94 174.83 1awh s TYR 89 N -0.17 2.26 -0.07 3.97 2.02 0.25 -5.00 117.35 120.61 1awh s TYR 89 Ca 0.03 -1.53 -0.07 0.00 -0.37 0.00 0.00 57.07 55.12 1awh s TYR 89 Cb -0.03 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1awh s TYR 89 CO -0.00 -0.73 0.19 0.42 -1.57 0.00 0.00 175.55 173.86 1awh s ILE 90 N 1.45 5.42 -0.09 2.71 1.01 -1.26 -0.27 121.20 130.17 1awh s ILE 90 Ca -0.02 0.21 -0.34 0.00 0.00 0.00 0.00 60.65 60.50 1awh s ILE 90 Cb -0.17 -3.47 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 1awh s ILE 90 CO -0.07 0.54 1.91 1.57 0.00 0.00 0.00 174.94 178.88 1awh n HIS 91 N 1.69 2.32 -1.21 3.97 -0.00 -0.48 -4.74 115.22 116.78 1awh n HIS 91 Ca -0.17 -0.03 -0.31 0.00 -0.00 0.00 0.00 57.72 57.21 1awh n HIS 91 Cb 0.54 -2.67 -0.07 0.00 -0.00 0.00 0.00 29.99 27.79 1awh n HIS 91 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1awh n PRO 92 N 6.82 3.17 0.00 1.57 -0.04 -1.26 -0.10 135.00 145.17 1awh n PRO 92 Ca 0.23 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1awh n PRO 92 Cb 0.30 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1awh n PRO 92 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1awh n ARG 93 N 3.28 0.00 -1.69 0.54 1.74 -1.26 -5.11 116.66 114.16 1awh n ARG 93 Ca 0.68 0.00 -0.53 0.00 -0.77 0.00 0.00 57.85 57.23 1awh n ARG 93 Cb 0.43 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.81 1awh n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1awh n TYR 94 N 0.00 2.17 -3.34 -1.55 9.36 0.86 -4.77 117.16 119.89 1awh n TYR 94 Ca 0.00 0.27 -0.46 0.00 3.32 0.00 0.00 57.90 61.04 1awh n TYR 94 Cb 0.00 -2.56 -0.01 0.00 -0.63 0.00 0.00 39.34 36.14 1awh n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1awh s ASN 95 N 3.95 7.17 0.43 2.98 3.84 0.58 -4.83 114.94 129.08 1awh s ASN 95 Ca 0.96 -3.35 0.28 0.00 0.21 0.00 0.00 52.86 50.96 1awh s ASN 95 Cb -0.89 -2.21 1.53 0.00 -0.55 0.00 0.00 41.25 39.13 1awh s ASN 95 CO 0.59 -0.36 1.85 4.11 -2.79 0.00 0.00 177.10 180.50 1awh h TRP 96 N 6.97 0.00 0.06 0.43 5.08 -1.89 0.24 115.95 126.83 1awh h TRP 96 Ca 0.16 0.00 -0.38 0.00 1.08 0.00 0.00 58.89 59.75 1awh h TRP 96 Cb 0.92 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.03 1awh h TRP 96 CO 0.83 0.00 -2.22 2.89 -1.28 0.00 0.00 178.44 178.67 1awh n ARG 97 N -2.50 0.69 -0.11 0.12 1.85 -1.26 -4.41 116.66 111.05 1awh n ARG 97 Ca -0.02 0.22 -0.23 0.00 -1.00 0.00 0.00 57.85 56.83 1awh n ARG 97 Cb 0.07 -1.61 -0.11 0.00 -1.05 0.00 0.00 32.46 29.76 1awh n ARG 97 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1awh n GLU 97 N -3.46 0.57 -0.73 2.89 2.13 -1.25 -4.88 120.64 115.90 1awh n GLU 97 Ca -0.40 0.55 -0.01 0.00 0.66 0.00 0.00 57.16 57.96 1awh n GLU 97 Cb 1.00 -1.72 -0.01 0.00 0.27 0.00 0.00 31.44 30.97 1awh n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1awh n ASN 98 N -4.41 -0.05 -1.33 4.31 0.23 -1.24 -4.80 115.26 107.97 1awh n ASN 98 Ca -0.34 -1.61 -0.11 0.00 -0.53 0.00 0.00 54.58 51.99 1awh n ASN 98 Cb 0.71 -0.04 -0.04 0.00 -2.08 0.00 0.00 39.78 38.32 1awh n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1awh n LEU 99 N 0.07 -0.77 -4.59 -4.53 4.77 0.07 -4.87 117.00 107.13 1awh n LEU 99 Ca -0.04 0.26 -0.45 0.00 -0.03 0.00 0.00 56.01 55.75 1awh n LEU 99 Cb 0.68 -1.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.05 1awh n LEU 99 CO -0.03 -0.55 0.62 -0.67 -1.33 0.00 0.00 177.39 175.43 1awh n ASP 100 N -0.23 1.42 -0.92 -1.43 2.03 -1.19 -2.63 116.55 113.59 1awh n ASP 100 Ca -0.11 1.17 -0.11 0.00 0.52 0.00 0.00 54.79 56.27 1awh n ASP 100 Cb 0.35 -1.29 -0.04 0.00 -0.72 0.00 0.00 41.12 39.42 1awh n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1awh n ARG 101 N 0.92 -0.78 -0.82 -0.67 1.74 -1.26 -0.30 116.66 115.48 1awh n ARG 101 Ca 0.10 0.82 -0.18 0.00 -0.77 0.00 0.00 57.85 57.82 1awh n ARG 101 Cb 0.31 -4.81 -0.05 0.00 -1.02 0.00 0.00 32.46 26.89 1awh n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1awh n ASP 102 N 0.17 -0.17 -4.21 0.55 2.03 -1.08 -4.57 116.55 109.27 1awh n ASP 102 Ca -0.11 -1.39 -0.17 0.00 0.52 0.00 0.00 54.79 53.63 1awh n ASP 102 Cb 0.41 -0.27 -0.11 0.00 -0.72 0.00 0.00 41.12 40.42 1awh n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1awh s ILE 103 N 4.90 1.18 -0.18 5.18 2.07 -1.26 -3.59 121.20 129.50 1awh s ILE 103 Ca 0.30 -1.57 -0.10 0.00 -1.41 0.00 0.00 60.65 57.86 1awh s ILE 103 Cb 0.06 -1.35 0.06 0.00 0.13 0.00 0.00 42.46 41.36 1awh s ILE 103 CO 0.14 -0.39 0.44 0.00 -1.91 0.00 0.00 174.94 173.22 1awh s ALA 104 N -1.94 -1.13 -0.20 1.50 0.00 0.70 -1.38 121.76 119.32 1awh s ALA 104 Ca 0.05 1.60 -0.14 0.00 0.00 0.00 0.00 51.96 53.47 1awh s ALA 104 Cb -0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1awh s ALA 104 CO 0.02 -0.27 0.29 -0.51 0.00 0.00 0.00 175.76 175.29 1awh s LEU 105 N 1.36 4.18 -0.15 0.00 1.43 0.63 -0.13 118.68 126.01 1awh s LEU 105 Ca -0.09 0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1awh s LEU 105 Cb -0.08 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1awh s LEU 105 CO -0.13 0.03 -0.13 -0.04 0.23 0.00 0.00 176.35 176.31 1awh s MET 106 N 0.91 3.33 -0.42 1.70 -1.94 0.13 0.85 119.30 123.86 1awh s MET 106 Ca 0.15 -0.70 -0.16 0.00 -1.71 0.00 0.00 55.69 53.28 1awh s MET 106 Cb -0.14 -2.67 0.03 0.00 2.01 0.00 0.00 34.83 34.06 1awh s MET 106 CO 0.05 0.11 0.35 0.21 -0.01 0.00 0.00 175.02 175.73 1awh s LYS 107 N 0.62 3.01 0.35 2.03 2.20 -0.76 -1.96 119.74 125.22 1awh s LYS 107 Ca -0.07 -0.97 -0.28 0.00 -0.36 0.00 0.00 55.97 54.28 1awh s LYS 107 Cb -0.16 -3.99 -0.11 0.00 -1.51 0.00 0.00 37.83 32.07 1awh s LYS 107 CO 0.03 -0.81 1.42 -0.51 -0.36 0.00 0.00 175.35 175.12 1awh s LEU 108 N 1.82 4.36 0.58 5.43 1.43 0.14 0.88 118.68 133.32 1awh s LEU 108 Ca 0.07 2.90 0.28 0.00 -1.03 0.00 0.00 54.13 56.35 1awh s LEU 108 Cb -0.19 -3.66 1.74 0.00 0.03 0.00 0.00 46.19 44.12 1awh s LEU 108 CO 0.11 -0.74 2.23 0.50 0.23 0.00 0.00 176.35 178.68 1awh h LYS 109 N 3.22 0.00 -2.64 1.70 1.63 -0.79 -3.41 116.57 116.29 1awh h LYS 109 Ca -0.50 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.18 1awh h LYS 109 Cb 1.23 0.00 -0.27 0.00 -0.60 0.00 0.00 32.23 32.59 1awh h LYS 109 CO 0.65 0.00 -0.32 0.21 -3.45 0.00 0.00 179.45 176.54 1awh s LYS 110 N -4.69 0.37 0.43 1.90 2.20 -1.26 -4.96 119.74 113.73 1awh s LYS 110 Ca -0.05 0.83 -0.26 0.00 -0.36 0.00 0.00 55.97 56.13 1awh s LYS 110 Cb 0.15 0.04 -0.08 0.00 -1.51 0.00 0.00 37.83 36.43 1awh s LYS 110 CO 0.56 -0.18 1.36 -1.25 -0.36 0.00 0.00 175.35 175.49 1awh s PRO 111 N 1.66 3.81 0.26 4.03 0.04 -1.26 -4.94 135.00 138.59 1awh s PRO 111 Ca -0.08 2.28 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 1awh s PRO 111 Cb -0.09 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 1awh s PRO 111 CO -0.13 -0.67 0.54 0.54 0.04 0.00 0.00 177.00 177.33 1awh s VAL 112 N -1.24 5.00 -0.47 -0.36 0.11 0.68 -4.98 120.40 119.15 1awh s VAL 112 Ca 0.59 0.19 -0.25 0.00 -2.93 0.00 0.00 61.98 59.58 1awh s VAL 112 Cb -0.41 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 30.78 1awh s VAL 112 CO 0.52 -0.23 0.89 0.00 -3.33 0.00 0.00 175.10 172.96 1awh s ALA 113 N -1.99 3.24 0.93 1.54 0.00 -1.26 -4.84 121.76 119.38 1awh s ALA 113 Ca 0.45 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.42 1awh s ALA 113 Cb -0.11 -3.61 0.14 0.00 0.00 0.00 0.00 23.12 19.54 1awh s ALA 113 CO 0.27 -2.06 1.07 1.19 0.00 0.00 0.00 175.76 176.24 1awh n PHE 114 N 7.09 0.58 -3.20 0.00 3.72 -1.26 -4.88 117.46 119.51 1awh n PHE 114 Ca 0.05 0.37 -0.02 0.00 -0.05 0.00 0.00 57.45 57.80 1awh n PHE 114 Cb 0.48 -1.97 0.01 0.00 -0.94 0.00 0.00 39.48 37.06 1awh n PHE 114 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1awh n SER 115 N -3.99 -0.54 0.32 4.37 3.41 0.40 -4.88 113.62 112.71 1awh n SER 115 Ca 0.11 -1.37 0.19 0.00 -0.26 0.00 0.00 58.87 57.54 1awh n SER 115 Cb 0.52 0.90 1.05 0.00 -0.26 0.00 0.00 64.21 66.43 1awh n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1awh h ASP 116 N 0.47 0.00 0.00 4.04 5.19 -1.97 -2.97 116.42 121.18 1awh h ASP 116 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1awh h ASP 116 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1awh h ASP 116 CO 0.10 0.01 -0.51 -1.22 -3.12 0.00 0.00 179.24 174.50 1awh n TYR 117 N -3.36 0.00 -3.90 4.55 4.01 -1.26 -4.62 117.16 112.59 1awh n TYR 117 Ca -0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.41 1awh n TYR 117 Cb 0.11 -0.03 -0.15 0.00 -0.31 0.00 0.00 39.34 38.95 1awh n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1awh s ILE 118 N -1.64 1.48 -0.11 -0.72 1.01 -1.12 -4.35 121.20 115.75 1awh s ILE 118 Ca 0.00 -1.48 -0.17 0.00 0.00 0.00 0.00 60.65 59.00 1awh s ILE 118 Cb 0.02 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.61 1awh s ILE 118 CO 0.13 -0.36 0.44 -2.28 0.00 0.00 0.00 174.94 172.88 1awh s HIS 119 N 1.36 -0.43 0.75 3.97 2.46 -0.38 -0.45 115.29 122.58 1awh s HIS 119 Ca 0.02 0.94 -0.13 0.00 0.47 0.00 0.00 55.06 56.36 1awh s HIS 119 Cb -0.18 0.18 0.05 0.00 -0.13 0.00 0.00 32.58 32.49 1awh s HIS 119 CO -0.11 -0.33 1.12 -2.14 -2.47 0.00 0.00 174.74 170.81 1awh s PRO 120 N -0.39 2.22 0.32 2.88 0.02 -1.26 -2.08 135.00 136.71 1awh s PRO 120 Ca -0.05 1.40 0.07 0.00 0.02 0.00 0.00 61.00 62.43 1awh s PRO 120 Cb -0.03 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1awh s PRO 120 CO 0.03 -1.70 0.30 0.54 -0.33 0.00 0.00 177.00 175.84 1awh s VAL 121 N -2.53 3.84 0.02 3.83 0.11 -0.72 -4.77 120.40 120.17 1awh s VAL 121 Ca 0.66 -1.31 -0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1awh s VAL 121 Cb -0.21 -3.28 -0.04 0.00 -1.53 0.00 0.00 36.38 31.32 1awh s VAL 121 CO 0.50 -0.21 0.12 0.00 -3.33 0.00 0.00 175.10 172.18 1awh s LEU 123 N -2.02 4.63 0.74 0.00 1.43 -1.26 -1.24 118.68 120.96 1awh s LEU 123 Ca 0.27 2.00 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 1awh s LEU 123 Cb -0.12 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.53 1awh s LEU 123 CO 0.19 0.11 1.11 -2.16 0.23 0.00 0.00 176.35 175.83 1awh s PRO 124 N -1.22 2.33 0.25 1.29 0.04 -1.26 -4.93 135.00 131.51 1awh s PRO 124 Ca 0.42 1.34 0.11 0.00 0.04 0.00 0.00 61.00 62.90 1awh s PRO 124 Cb -0.27 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1awh s PRO 124 CO 0.34 -1.60 -0.11 0.16 0.04 0.00 0.00 177.00 175.82 1awh s ASP 125 N -2.91 4.04 0.17 6.66 1.47 -1.26 -4.90 116.67 119.94 1awh s ASP 125 Ca 0.65 -0.80 -0.12 0.00 1.18 0.00 0.00 52.55 53.46 1awh s ASP 125 Cb -0.20 -0.57 0.19 0.00 -0.34 0.00 0.00 42.92 42.01 1awh s ASP 125 CO 0.50 0.04 1.13 -1.14 0.68 0.00 0.00 175.17 176.38 1awh n ARG 126 N -0.53 -0.16 0.14 2.11 3.00 -1.26 0.20 116.66 120.15 1awh n ARG 126 Ca -0.07 1.12 0.13 0.00 -0.00 0.00 0.00 57.85 59.03 1awh n ARG 126 Cb 0.58 -1.66 0.40 0.00 0.00 0.00 0.00 32.46 31.78 1awh n ARG 126 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1awh h GLU 127 N 0.00 0.00 -1.32 -0.14 4.39 -2.04 -1.99 114.58 113.49 1awh h GLU 127 Ca 0.26 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.62 1awh h GLU 127 Cb 0.45 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.93 1awh h GLU 127 CO -0.72 0.00 0.45 2.41 -1.16 0.00 0.00 179.01 179.98 1awh n THR 128 N -2.42 2.69 0.00 1.13 -1.04 0.13 -3.15 114.28 111.62 1awh n THR 128 Ca 0.04 -1.60 0.00 0.00 -2.04 0.00 0.00 64.05 60.46 1awh n THR 128 Cb 0.40 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 1awh n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1awh n ALA 129 N 0.01 0.00 0.10 2.41 0.00 -0.75 -3.05 120.51 119.23 1awh n ALA 129 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.63 1awh n ALA 129 Cb 0.75 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.07 1awh n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1awh h SER 129 N 0.00 0.37 0.00 0.00 0.02 -1.81 -3.41 113.55 108.72 1awh h SER 129 Ca 0.00 -0.39 -0.27 0.00 -0.84 0.00 0.00 61.79 60.29 1awh h SER 129 Cb 0.00 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 1awh h SER 129 CO 0.00 1.30 -2.01 0.18 -1.14 0.00 0.00 176.83 175.16 1awh n LEU 129 N -3.53 0.89 -4.55 5.07 4.32 -1.17 -4.69 117.00 113.34 1awh n LEU 129 Ca -0.07 -0.03 -0.42 0.00 -0.02 0.00 0.00 56.01 55.47 1awh n LEU 129 Cb 1.00 0.06 -0.02 0.00 -1.62 0.00 0.00 43.42 42.84 1awh n LEU 129 CO 0.53 0.49 1.58 -0.76 -1.22 0.00 0.00 177.39 178.01 1awh s LEU 130 N -5.36 3.80 -0.03 2.23 1.43 -1.26 -4.86 118.68 114.63 1awh s LEU 130 Ca -0.12 -1.86 -0.08 0.00 -1.03 0.00 0.00 54.13 51.03 1awh s LEU 130 Cb 0.05 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.73 1awh s LEU 130 CO 0.54 -1.34 0.18 -1.10 0.23 0.00 0.00 176.35 174.86 1awh s GLN 131 N 4.42 0.41 0.22 1.70 -0.21 -1.26 -4.91 119.66 120.03 1awh s GLN 131 Ca 0.47 -0.15 -0.29 0.00 0.02 0.00 0.00 55.36 55.41 1awh s GLN 131 Cb 0.01 0.18 -0.16 0.00 1.00 0.00 0.00 33.01 34.04 1awh s GLN 131 CO -0.04 -0.09 0.81 0.00 -2.12 0.00 0.00 175.29 173.85 1awh n ALA 132 N 1.96 -1.66 0.00 6.09 0.00 -1.26 -0.14 120.51 125.49 1awh n ALA 132 Ca -0.19 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1awh n ALA 132 Cb 0.57 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1awh n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1awh n GLY 133 N 1.68 2.77 3.70 0.00 0.00 -0.70 -4.91 105.19 107.73 1awh n GLY 133 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1awh n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1awh s TYR 134 N -1.05 3.30 0.47 1.61 1.51 0.80 -4.55 117.35 119.44 1awh s TYR 134 Ca 0.00 1.26 -0.17 0.00 -1.01 0.00 0.00 57.07 57.14 1awh s TYR 134 Cb 0.00 -3.42 -0.09 0.00 -0.11 0.00 0.00 41.96 38.35 1awh s TYR 134 CO 0.00 -1.29 0.95 0.15 -1.11 0.00 0.00 175.55 174.25 1awh s LYS 135 N 1.70 4.02 0.43 -0.62 -0.14 -1.26 -0.84 119.74 123.03 1awh s LYS 135 Ca 0.57 0.96 0.04 0.00 -1.36 0.00 0.00 55.97 56.18 1awh s LYS 135 Cb -0.27 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 33.69 1awh s LYS 135 CO 0.25 -0.17 0.14 0.20 -0.76 0.00 0.00 175.35 175.01 1awh s GLY 136 N -2.78 2.74 -0.03 -3.33 0.00 0.93 -4.85 107.32 100.00 1awh s GLY 136 Ca 0.59 -1.07 0.06 0.00 0.00 0.00 0.00 44.72 44.30 1awh s GLY 136 CO 0.25 -1.86 -0.20 -1.60 0.00 0.00 0.00 173.10 169.70 1awh s ARG 137 N -3.67 1.77 -0.01 2.90 3.52 0.23 -1.23 118.95 122.46 1awh s ARG 137 Ca 0.21 -0.71 0.04 0.00 -0.13 0.00 0.00 55.73 55.15 1awh s ARG 137 Cb 0.01 -1.63 -0.03 0.00 -1.56 0.00 0.00 34.95 31.74 1awh s ARG 137 CO 0.14 0.37 -0.13 0.08 -0.81 0.00 0.00 175.30 174.95 1awh s VAL 138 N -0.28 3.14 -0.04 7.11 1.01 -0.90 -0.06 120.40 130.38 1awh s VAL 138 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1awh s VAL 138 Cb -0.10 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 1awh s VAL 138 CO 0.01 0.48 -0.17 0.42 0.00 0.00 0.00 175.10 175.84 1awh s THR 139 N -0.84 1.40 -0.20 3.92 -4.23 -1.18 -3.12 115.64 111.38 1awh s THR 139 Ca 0.14 -0.70 -0.35 0.00 -1.18 0.00 0.00 61.69 59.59 1awh s THR 139 Cb -0.11 -1.20 0.14 0.00 1.34 0.00 0.00 72.50 72.67 1awh s THR 139 CO 0.03 0.40 1.24 -0.83 -0.54 0.00 0.00 174.62 174.93 1awh s GLY 140 N 0.05 -0.28 0.25 3.99 0.00 -0.82 -4.59 107.32 105.92 1awh s GLY 140 Ca -0.04 1.61 -0.13 0.00 0.00 0.00 0.00 44.72 46.16 1awh s GLY 140 CO 0.02 0.53 0.63 -0.98 0.00 0.00 0.00 173.10 173.30 1awh s TRP 141 N -2.36 3.45 0.00 1.90 0.51 -1.26 -1.89 118.94 119.30 1awh s TRP 141 Ca 0.10 1.06 0.00 0.00 -2.12 0.00 0.00 56.10 55.14 1awh s TRP 141 Cb -0.01 -2.40 0.00 0.00 -0.81 0.00 0.00 33.47 30.26 1awh s TRP 141 CO -0.04 0.24 0.00 0.41 -0.51 0.00 0.00 176.95 177.05 1awh n GLY 142 N -0.00 4.67 3.46 0.98 0.00 -1.26 -4.19 105.19 108.84 1awh n GLY 142 Ca 0.00 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1awh n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1awh n ASN 143 N 0.00 -1.49 -0.68 1.61 3.02 -0.36 0.89 115.26 118.25 1awh n ASN 143 Ca 0.00 0.17 0.12 0.00 -0.03 0.00 0.00 54.58 54.84 1awh n ASN 143 Cb 0.00 -1.23 0.22 0.00 -0.61 0.00 0.00 39.78 38.16 1awh n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1awh n LEU 144 N -2.78 2.24 0.00 3.41 4.77 0.36 -1.99 117.00 123.01 1awh n LEU 144 Ca 0.06 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1awh n LEU 144 Cb 0.55 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1awh n LEU 144 CO 0.52 0.38 0.00 0.29 -1.33 0.00 0.00 177.39 177.25 1awh n LYS 145 N 0.61 0.00 -2.96 3.23 5.02 -1.26 -4.49 118.16 118.30 1awh n LYS 145 Ca 0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.00 1awh n LYS 145 Cb 0.49 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.51 1awh n LYS 145 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1awh n GLU 146 N 0.00 4.37 -0.58 1.97 1.02 -1.26 -4.79 120.64 121.36 1awh n GLU 146 Ca 0.00 -4.46 -0.28 0.00 -0.02 0.00 0.00 57.16 52.40 1awh n GLU 146 Cb 0.00 -2.55 -0.05 0.00 -0.02 0.00 0.00 31.44 28.82 1awh n GLU 146 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1awh n THR 147 N 1.57 0.97 0.00 2.62 -2.24 -1.26 -2.94 114.28 112.99 1awh n THR 147 Ca 0.27 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1awh n THR 147 Cb 0.34 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 1awh n THR 147 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1awh n TRP 148 N 6.53 0.00 -3.99 4.78 7.02 -1.26 -4.71 117.44 125.81 1awh n TRP 148 Ca 0.35 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.53 1awh n TRP 148 Cb 0.24 0.01 -0.05 0.00 -2.42 0.00 0.00 31.31 29.09 1awh n TRP 148 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1awh s THR 149 N -1.85 4.95 0.81 -0.99 -4.23 -1.15 -5.14 115.64 108.04 1awh s THR 149 Ca 0.00 -0.63 -0.14 0.00 -1.18 0.00 0.00 61.69 59.74 1awh s THR 149 Cb 0.00 -3.42 0.04 0.00 1.34 0.00 0.00 72.50 70.46 1awh s THR 149 CO 0.00 0.09 0.87 0.00 -0.54 0.00 0.00 174.62 175.04 1awh n ALA 149 N 0.23 -0.91 -3.00 3.99 0.00 -1.26 -4.84 120.51 114.72 1awh n ALA 149 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1awh n ALA 149 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1awh n ALA 149 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1awh n ASN 149 N -2.09 0.00 -3.71 0.00 4.05 -1.26 -4.92 115.26 107.34 1awh n ASN 149 Ca 0.11 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.76 1awh n ASN 149 Cb 0.51 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.51 1awh n ASN 149 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1awh n VAL 149 N 0.00 4.83 0.00 3.44 0.24 -1.26 -5.01 118.33 120.57 1awh n VAL 149 Ca 0.00 -5.80 0.00 0.00 -2.04 0.00 0.00 64.34 56.50 1awh n VAL 149 Cb 0.00 -1.88 0.00 0.00 -1.47 0.00 0.00 33.84 30.49 1awh n VAL 149 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1awh n GLY 149 N 0.72 0.44 3.77 7.63 0.00 -1.26 -5.07 105.19 111.42 1awh n GLY 149 Ca 0.33 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 1awh n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1awh s LYS 149 N -0.30 2.20 0.00 1.61 1.02 -1.26 -5.03 119.74 117.98 1awh s LYS 149 Ca 0.00 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.09 1awh s LYS 149 Cb 0.00 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 1awh s LYS 149 CO 0.00 -1.67 0.00 0.41 -0.92 0.00 0.00 175.35 173.17 1awh n GLY 150 N -1.28 0.17 3.65 -3.33 0.00 -1.26 -4.27 105.19 98.87 1awh n GLY 150 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1awh n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1awh s GLN 151 N 1.27 3.01 0.30 1.61 0.00 -1.26 0.13 119.66 124.72 1awh s GLN 151 Ca 0.00 -0.44 -0.06 0.00 -0.00 0.00 0.00 55.36 54.87 1awh s GLN 151 Cb 0.00 -2.77 -0.05 0.00 0.00 0.00 0.00 33.01 30.18 1awh s GLN 151 CO 0.00 0.66 0.57 -1.25 0.00 0.00 0.00 175.29 175.27 1awh s PRO 152 N -0.76 3.65 0.32 9.60 0.04 -1.26 -4.95 135.00 141.65 1awh s PRO 152 Ca 0.12 0.06 0.26 0.00 0.04 0.00 0.00 61.00 61.47 1awh s PRO 152 Cb -0.11 -2.62 1.09 0.00 0.04 0.00 0.00 34.50 32.89 1awh s PRO 152 CO 0.02 0.19 1.77 0.66 0.04 0.00 0.00 177.00 179.69 1awh h SER 153 N 1.67 0.00 -4.12 6.66 4.64 -1.99 -3.42 113.55 117.00 1awh h SER 153 Ca -0.48 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 1awh h SER 153 Cb 1.19 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.06 1awh h SER 153 CO 0.66 0.00 0.04 0.54 -0.87 0.00 0.00 176.83 177.20 1awh s VAL 154 N -3.41 0.00 0.05 0.95 0.11 -1.26 0.10 120.40 116.94 1awh s VAL 154 Ca 0.03 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 1awh s VAL 154 Cb 0.09 -0.90 -0.16 0.00 -1.53 0.00 0.00 36.38 33.89 1awh s VAL 154 CO 0.41 -0.01 0.75 -0.11 -3.33 0.00 0.00 175.10 172.81 1awh n LEU 155 N 2.48 -0.30 -4.30 2.54 7.94 0.45 -4.68 117.00 121.13 1awh n LEU 155 Ca -0.15 0.95 -0.20 0.00 -1.11 0.00 0.00 56.01 55.51 1awh n LEU 155 Cb 0.56 -0.76 -0.11 0.00 0.53 0.00 0.00 43.42 43.63 1awh n LEU 155 CO 0.08 -1.82 -0.46 -1.10 -1.11 0.00 0.00 177.39 172.98 1awh s GLN 156 N -0.23 1.17 0.26 1.96 -0.21 -0.79 -0.59 119.66 121.23 1awh s GLN 156 Ca 0.69 -1.36 0.10 0.00 0.02 0.00 0.00 55.36 54.80 1awh s GLN 156 Cb -0.97 -1.11 -0.05 0.00 1.00 0.00 0.00 33.01 31.88 1awh s GLN 156 CO 0.47 0.21 -0.16 0.14 -2.12 0.00 0.00 175.29 173.84 1awh s VAL 157 N -2.24 2.11 -0.21 1.09 -7.23 0.56 -1.95 120.40 112.52 1awh s VAL 157 Ca 0.14 -2.29 -0.24 0.00 -1.81 0.00 0.00 61.98 57.78 1awh s VAL 157 Cb -0.04 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.70 1awh s VAL 157 CO 0.05 -0.44 0.65 0.54 -0.31 0.00 0.00 175.10 175.59 1awh s VAL 158 N -2.73 0.00 -0.15 1.32 0.11 -1.18 0.10 120.40 117.87 1awh s VAL 158 Ca 0.27 -0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1awh s VAL 158 Cb -0.02 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1awh s VAL 158 CO 0.12 -0.01 -0.06 0.20 -3.33 0.00 0.00 175.10 172.02 1awh s ASN 159 N 0.09 4.57 -0.04 3.54 0.01 -1.26 -2.11 114.94 119.73 1awh s ASN 159 Ca -0.02 -0.19 0.04 0.00 -0.71 0.00 0.00 52.86 51.98 1awh s ASN 159 Cb -0.04 -1.74 -0.00 0.00 0.41 0.00 0.00 41.25 39.88 1awh s ASN 159 CO 0.02 0.16 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.84 1awh s LEU 160 N 0.41 1.92 0.38 0.60 1.43 -0.36 -4.90 118.68 118.16 1awh s LEU 160 Ca -0.06 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.46 1awh s LEU 160 Cb -0.15 -0.95 -0.10 0.00 0.03 0.00 0.00 46.19 45.02 1awh s LEU 160 CO 0.04 0.16 0.97 -2.84 0.23 0.00 0.00 176.35 174.91 1awh s PRO 161 N -0.00 4.33 0.44 1.29 0.02 -1.26 -0.05 135.00 139.76 1awh s PRO 161 Ca -0.03 1.30 -0.23 0.00 0.02 0.00 0.00 61.00 62.06 1awh s PRO 161 Cb -0.11 -2.49 -0.08 0.00 0.02 0.00 0.00 34.50 31.84 1awh s PRO 161 CO 0.02 0.04 1.09 0.42 -0.33 0.00 0.00 177.00 178.24 1awh s ILE 162 N -1.84 3.50 0.20 2.83 1.01 -0.02 -0.05 121.20 126.82 1awh s ILE 162 Ca 0.57 1.10 0.05 0.00 0.00 0.00 0.00 60.65 62.36 1awh s ILE 162 Cb -0.16 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1awh s ILE 162 CO 0.21 -0.04 0.22 -0.69 0.00 0.00 0.00 174.94 174.64 1awh s VAL 163 N -1.67 4.81 0.40 2.92 1.01 -1.19 -1.72 120.40 124.96 1awh s VAL 163 Ca 0.62 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1awh s VAL 163 Cb -0.24 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1awh s VAL 163 CO 0.29 -0.20 0.79 -1.83 0.00 0.00 0.00 175.10 174.14 1awh s GLU 164 N -3.47 3.85 0.17 2.72 1.03 -1.26 -4.64 118.70 117.10 1awh s GLU 164 Ca 0.33 0.57 -0.22 0.00 0.03 0.00 0.00 54.97 55.68 1awh s GLU 164 Cb -0.10 -2.37 0.07 0.00 -0.80 0.00 0.00 34.13 30.94 1awh s GLU 164 CO 0.26 -0.02 1.60 0.00 -1.33 0.00 0.00 175.26 175.77 1awh h ARG 165 N 1.44 -0.23 -0.49 -4.83 3.08 -1.99 -1.21 114.38 110.16 1awh h ARG 165 Ca -0.47 0.02 0.10 0.00 0.07 0.00 0.00 59.98 59.69 1awh h ARG 165 Cb 1.18 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 31.20 1awh h ARG 165 CO 0.64 -0.15 -0.02 -1.00 -1.07 0.00 0.00 179.97 178.36 1awh h PRO 166 N -0.23 0.09 -0.91 0.04 0.13 -1.97 0.93 132.00 130.07 1awh h PRO 166 Ca 0.18 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 65.46 1awh h PRO 166 Cb 0.53 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.57 1awh h PRO 166 CO -0.55 0.06 0.58 0.28 -0.23 0.00 0.00 178.00 178.14 1awh h VAL 167 N 0.09 0.81 0.58 1.56 2.07 -1.63 0.43 116.25 120.16 1awh h VAL 167 Ca 0.25 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1awh h VAL 167 Cb 0.37 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1awh h VAL 167 CO -0.43 0.12 -0.28 0.00 0.02 0.00 0.00 177.57 177.01 1awh h LYS 169 N -1.14 0.22 -0.05 0.00 3.64 0.29 0.47 116.57 119.99 1awh h LYS 169 Ca -0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1awh h LYS 169 Cb 0.63 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1awh h LYS 169 CO 0.13 0.14 0.00 -0.25 -2.27 0.00 0.00 179.45 177.20 1awh n ASP 170 N -5.09 0.94 -0.27 4.20 9.92 0.13 -4.12 116.55 122.27 1awh n ASP 170 Ca 0.34 -1.44 0.11 0.00 -0.53 0.00 0.00 54.79 53.26 1awh n ASP 170 Cb 1.09 -0.03 -0.04 0.00 -0.64 0.00 0.00 41.12 41.49 1awh n ASP 170 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1awh n SER 171 N -0.21 1.54 -4.10 -2.24 3.41 0.16 -4.96 113.62 107.21 1awh n SER 171 Ca 0.18 -1.26 -0.15 0.00 -0.26 0.00 0.00 58.87 57.38 1awh n SER 171 Cb 0.24 0.70 -0.12 0.00 -0.26 0.00 0.00 64.21 64.77 1awh n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1awh s THR 172 N -2.72 0.78 -1.66 6.66 -1.32 -1.25 -4.87 115.64 111.26 1awh s THR 172 Ca 0.14 -1.13 0.31 0.00 -1.21 0.00 0.00 61.69 59.80 1awh s THR 172 Cb 0.17 -0.79 0.67 0.00 -1.51 0.00 0.00 72.50 71.04 1awh s THR 172 CO 0.70 -0.29 2.11 0.54 -2.21 0.00 0.00 174.62 175.48 1awh n ARG 173 N 1.47 0.65 -3.32 7.08 5.12 -1.26 -4.89 116.66 121.50 1awh n ARG 173 Ca -0.22 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.32 1awh n ARG 173 Cb 0.55 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.29 1awh n ARG 173 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1awh s ILE 174 N -2.34 4.98 -0.66 0.55 1.01 -1.26 -4.96 121.20 118.52 1awh s ILE 174 Ca 0.36 1.06 -0.27 0.00 0.00 0.00 0.00 60.65 61.79 1awh s ILE 174 Cb 0.21 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1awh s ILE 174 CO 0.42 0.46 1.42 0.00 0.00 0.00 0.00 174.94 177.24 1awh s ARG 175 N -0.39 3.14 0.31 2.79 1.70 -1.26 -4.94 118.95 120.30 1awh s ARG 175 Ca 0.27 0.15 -0.26 0.00 -0.47 0.00 0.00 55.73 55.42 1awh s ARG 175 Cb -0.17 -4.19 -0.15 0.00 -0.57 0.00 0.00 34.95 29.87 1awh s ARG 175 CO 0.15 -2.17 0.59 -0.89 -1.08 0.00 0.00 175.30 171.90 1awh n ILE 176 N 6.69 1.77 -4.40 4.99 -0.00 -1.26 -4.85 119.36 122.31 1awh n ILE 176 Ca 0.09 -0.50 -0.20 0.00 -0.00 0.00 0.00 62.75 62.15 1awh n ILE 176 Cb 0.50 -0.39 -0.10 0.00 -0.00 0.00 0.00 39.64 39.65 1awh n ILE 176 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1awh s THR 177 N -1.22 0.92 -0.66 1.39 -4.23 -1.26 -5.03 115.64 105.55 1awh s THR 177 Ca 0.62 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.26 1awh s THR 177 Cb -0.75 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 70.49 1awh s THR 177 CO 0.58 0.00 1.41 0.47 -0.54 0.00 0.00 174.62 176.54 1awh n ASP 178 N -0.61 0.29 -2.02 3.99 8.00 -1.26 -2.04 116.55 122.90 1awh n ASP 178 Ca -0.01 0.61 -0.22 0.00 0.71 0.00 0.00 54.79 55.87 1awh n ASP 178 Cb 0.66 -0.66 0.08 0.00 -0.02 0.00 0.00 41.12 41.19 1awh n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1awh n ASN 179 N -1.86 5.81 -3.64 -2.24 3.02 -1.26 -4.88 115.26 110.20 1awh n ASN 179 Ca 0.01 -3.31 -0.05 0.00 -0.03 0.00 0.00 54.58 51.19 1awh n ASN 179 Cb 0.08 -0.92 -0.07 0.00 -0.61 0.00 0.00 39.78 38.26 1awh n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1awh s MET 180 N -2.62 0.51 0.19 3.52 0.23 -0.86 -2.70 119.30 117.57 1awh s MET 180 Ca 0.45 0.85 0.07 0.00 -1.03 0.00 0.00 55.69 56.03 1awh s MET 180 Cb 0.36 0.12 -0.04 0.00 -1.53 0.00 0.00 34.83 33.73 1awh s MET 180 CO 0.02 -0.10 -0.15 -0.59 -2.03 0.00 0.00 175.02 172.17 1awh s PHE 181 N 1.32 1.67 0.08 3.16 -0.12 -0.48 -4.80 117.98 118.82 1awh s PHE 181 Ca -0.08 -0.56 0.01 0.00 -0.05 0.00 0.00 56.93 56.24 1awh s PHE 181 Cb -0.04 -0.80 0.01 0.00 -0.63 0.00 0.00 43.02 41.56 1awh s PHE 181 CO -0.15 0.32 0.06 0.00 -0.05 0.00 0.00 175.22 175.39 1awh s ALA 183 N -2.12 -2.21 0.00 0.00 0.00 -0.84 -3.15 121.76 113.44 1awh s ALA 183 Ca 0.05 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1awh s ALA 183 Cb -0.00 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1awh s ALA 183 CO 0.03 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1awh n GLY 184 N -0.48 2.42 3.87 0.00 0.00 0.92 -2.34 105.19 109.59 1awh n GLY 184 Ca -0.08 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 1awh n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1awh s TYR 184 N -2.00 3.58 0.03 1.61 1.51 -1.26 -4.59 117.35 116.23 1awh s TYR 184 Ca 0.00 1.22 -0.20 0.00 -1.01 0.00 0.00 57.07 57.08 1awh s TYR 184 Cb 0.00 -2.74 -0.06 0.00 -0.11 0.00 0.00 41.96 39.05 1awh s TYR 184 CO 0.00 -0.73 0.58 0.15 -1.11 0.00 0.00 175.55 174.44 1awh s LYS 185 N -5.18 4.27 0.35 -0.62 3.01 -1.26 -4.59 119.74 115.72 1awh s LYS 185 Ca 0.55 0.73 0.15 0.00 -1.01 0.00 0.00 55.97 56.39 1awh s LYS 185 Cb -0.11 -3.30 1.16 0.00 -1.01 0.00 0.00 37.83 34.57 1awh s LYS 185 CO 0.53 0.48 1.60 -1.00 0.51 0.00 0.00 175.35 177.47 1awh h PRO 186 N 5.17 0.07 0.00 -1.68 0.13 -1.93 0.73 132.00 134.49 1awh h PRO 186 Ca -0.47 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1awh h PRO 186 Cb 1.21 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1awh h PRO 186 CO 0.67 0.05 -0.23 0.38 -0.23 0.00 0.00 178.00 178.64 1awh h ASP 186 N 0.07 0.00 0.11 1.44 2.03 -1.98 -3.30 116.42 114.80 1awh h ASP 186 Ca 0.77 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 57.06 1awh h ASP 186 Cb 1.89 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.39 1awh h ASP 186 CO -0.76 0.23 -0.01 -0.33 -1.03 0.00 0.00 179.24 177.34 1awh h GLU 186 N 0.00 0.00 0.00 4.15 5.08 0.11 -3.45 114.58 120.47 1awh h GLU 186 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1awh h GLU 186 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1awh h GLU 186 CO 0.03 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1awh n GLY 186 N -0.99 0.48 3.21 -3.84 0.00 -1.25 -5.01 105.19 97.78 1awh n GLY 186 Ca -0.03 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 1awh n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1awh s LYS 186 N -1.69 0.94 0.10 1.61 1.02 -1.26 -5.16 119.74 115.29 1awh s LYS 186 Ca 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1awh s LYS 186 Cb 0.00 -0.51 0.00 0.00 -0.52 0.00 0.00 37.83 36.81 1awh s LYS 186 CO 0.00 0.06 0.04 0.54 -0.92 0.00 0.00 175.35 175.07 1awh n ARG 187 N 0.11 1.56 0.00 1.68 1.74 -1.26 -4.62 116.66 115.86 1awh n ARG 187 Ca -0.13 -0.64 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 1awh n ARG 187 Cb 0.60 0.12 0.00 0.00 -1.02 0.00 0.00 32.46 32.16 1awh n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1awh n GLY 188 N 3.86 3.23 3.56 -0.13 0.00 -1.26 -4.88 105.19 109.57 1awh n GLY 188 Ca -0.02 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.48 1awh n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1awh s ASP 189 N 0.00 -0.24 0.92 1.61 2.15 -0.80 -4.56 116.67 115.75 1awh s ASP 189 Ca 0.00 -0.01 -0.12 0.00 0.43 0.00 0.00 52.55 52.85 1awh s ASP 189 Cb 0.00 0.26 0.14 0.00 -0.30 0.00 0.00 42.92 43.02 1awh s ASP 189 CO 0.00 -0.43 1.09 0.00 -0.17 0.00 0.00 175.17 175.66 1awh s ALA 190 N -2.76 1.38 0.38 3.66 0.00 -1.26 0.84 121.76 123.99 1awh s ALA 190 Ca 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.89 1awh s ALA 190 Cb -0.01 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1awh s ALA 190 CO -0.06 -2.50 0.67 0.00 0.00 0.00 0.00 175.76 173.87 1awh s GLU 192 N -2.54 4.22 0.00 0.00 2.12 -1.26 -0.53 118.70 120.72 1awh s GLU 192 Ca 0.22 2.37 0.00 0.00 0.36 0.00 0.00 54.97 57.91 1awh s GLU 192 Cb -0.03 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.24 1awh s GLU 192 CO 0.15 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 1awh n GLY 193 N 3.01 1.95 0.02 -1.50 0.00 -1.26 -1.22 105.19 106.19 1awh n GLY 193 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1awh n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1awh n ASP 194 N 0.00 0.53 -4.55 1.61 8.00 0.31 -3.67 116.55 118.78 1awh n ASP 194 Ca 0.00 -0.14 -0.44 0.00 0.71 0.00 0.00 54.79 54.92 1awh n ASP 194 Cb 0.00 0.24 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1awh n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1awh n SER 195 N -1.66 0.67 0.00 -2.24 7.64 -1.26 -1.39 113.62 115.37 1awh n SER 195 Ca 0.05 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1awh n SER 195 Cb 0.36 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1awh n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1awh n GLY 196 N 1.39 2.79 3.46 0.23 0.00 0.24 -2.16 105.19 111.14 1awh n GLY 196 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1awh n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1awh s GLY 197 N -1.62 1.52 0.25 -0.02 0.00 -0.49 -4.08 107.32 102.88 1awh s GLY 197 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 44.72 44.39 1awh s GLY 197 CO 0.00 0.52 0.56 2.56 0.00 0.00 0.00 173.10 176.74 1awh s PRO 198 N -4.52 3.75 -0.21 2.90 0.04 -1.26 -0.80 135.00 134.89 1awh s PRO 198 Ca 0.69 0.20 -0.03 0.00 0.04 0.00 0.00 61.00 61.90 1awh s PRO 198 Cb -0.24 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 1awh s PRO 198 CO 0.64 0.27 -0.06 0.12 0.04 0.00 0.00 177.00 178.02 1awh s PHE 199 N -1.91 2.94 0.22 0.56 2.19 0.31 -3.09 117.98 119.19 1awh s PHE 199 Ca 0.46 -0.98 0.11 0.00 0.33 0.00 0.00 56.93 56.85 1awh s PHE 199 Cb -0.11 -2.08 -0.05 0.00 -1.31 0.00 0.00 43.02 39.47 1awh s PHE 199 CO 0.24 -0.56 -0.22 0.14 1.83 0.00 0.00 175.22 176.65 1awh s VAL 200 N 1.42 2.35 0.24 3.12 -7.23 0.92 -1.50 120.40 119.72 1awh s VAL 200 Ca 0.05 -2.15 0.07 0.00 -1.81 0.00 0.00 61.98 58.14 1awh s VAL 200 Cb -0.14 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 1awh s VAL 200 CO -0.04 -0.22 -0.10 -0.04 -0.31 0.00 0.00 175.10 174.39 1awh s MET 201 N -2.95 1.42 -0.30 4.82 -1.94 -0.31 0.77 119.30 120.81 1awh s MET 201 Ca 0.23 -1.68 -0.10 0.00 -1.71 0.00 0.00 55.69 52.44 1awh s MET 201 Cb -0.07 -1.10 -0.02 0.00 2.01 0.00 0.00 34.83 35.66 1awh s MET 201 CO 0.11 0.10 0.16 0.21 -0.01 0.00 0.00 175.02 175.59 1awh s LYS 202 N -3.69 3.52 -0.41 2.03 2.20 -1.26 -0.40 119.74 121.72 1awh s LYS 202 Ca 0.26 -0.60 -0.28 0.00 -0.36 0.00 0.00 55.97 54.99 1awh s LYS 202 Cb 0.02 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1awh s LYS 202 CO 0.09 -0.34 1.70 0.45 -0.36 0.00 0.00 175.35 176.89 1awh s SER 203 N 1.65 5.90 0.06 1.43 0.15 0.36 -4.89 113.70 118.36 1awh s SER 203 Ca 0.06 0.99 0.17 0.00 0.70 0.00 0.00 55.95 57.86 1awh s SER 203 Cb -0.17 -2.53 0.72 0.00 -1.71 0.00 0.00 66.02 62.33 1awh s SER 203 CO 0.07 -1.76 1.53 -0.81 1.20 0.00 0.00 173.24 173.48 1awh n PRO 204 N 8.48 0.04 0.10 5.44 -0.04 -1.26 -0.79 135.00 146.98 1awh n PRO 204 Ca 0.21 0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 63.80 1awh n PRO 204 Cb 0.48 -1.58 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 1awh n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1awh h PHE 204 N 0.00 0.46 0.00 0.54 0.04 -1.97 -3.39 116.94 112.61 1awh h PHE 204 Ca 0.00 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.44 1awh h PHE 204 Cb 0.29 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1awh h PHE 204 CO 0.00 1.24 -0.08 0.27 -0.60 0.00 0.00 178.31 179.14 1awh n ASN 204 N -3.54 1.37 -0.48 2.17 0.23 -1.05 -4.99 115.26 108.97 1awh n ASN 204 Ca -0.08 -2.10 -0.06 0.00 -0.53 0.00 0.00 54.58 51.81 1awh n ASN 204 Cb 1.00 -0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 38.52 1awh n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1awh n ASN 205 N -0.58 -5.17 -4.91 0.53 5.15 0.03 -4.97 115.26 105.34 1awh n ASN 205 Ca 0.05 0.15 -0.32 0.00 -0.60 0.00 0.00 54.58 53.86 1awh n ASN 205 Cb 0.48 -3.22 -0.04 0.00 -0.53 0.00 0.00 39.78 36.47 1awh n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1awh s ARG 206 N -2.25 3.48 0.13 1.20 0.52 -1.24 -4.83 118.95 115.97 1awh s ARG 206 Ca 0.00 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 54.58 1awh s ARG 206 Cb 0.00 -3.02 -0.06 0.00 0.52 0.00 0.00 34.95 32.39 1awh s ARG 206 CO 0.00 0.60 1.03 -1.58 0.02 0.00 0.00 175.30 175.37 1awh s TRP 207 N -1.49 3.70 -0.06 -0.53 0.52 -1.26 -0.48 118.94 119.34 1awh s TRP 207 Ca 0.34 1.69 0.03 0.00 0.02 0.00 0.00 56.10 58.18 1awh s TRP 207 Cb -0.13 -3.16 0.01 0.00 -1.15 0.00 0.00 33.47 29.04 1awh s TRP 207 CO 0.25 -0.20 -0.15 0.71 0.02 0.00 0.00 176.95 177.58 1awh s TYR 208 N -0.02 1.62 -0.69 -1.98 2.02 0.46 -1.90 117.35 116.86 1awh s TYR 208 Ca 0.49 -0.57 -0.24 0.00 -0.37 0.00 0.00 57.07 56.38 1awh s TYR 208 Cb -0.26 -1.14 0.05 0.00 -0.40 0.00 0.00 41.96 40.21 1awh s TYR 208 CO 0.32 -0.25 1.09 -1.14 -1.57 0.00 0.00 175.55 174.00 1awh s GLN 209 N 0.43 3.14 0.04 -0.62 0.74 -0.38 -1.16 119.66 121.86 1awh s GLN 209 Ca -0.12 -0.60 -0.03 0.00 0.05 0.00 0.00 55.36 54.66 1awh s GLN 209 Cb -0.14 -4.21 -0.28 0.00 1.10 0.00 0.00 33.01 29.47 1awh s GLN 209 CO 0.04 -1.95 1.01 0.52 -0.55 0.00 0.00 175.29 174.36 1awh h MET 210 N 9.75 0.26 -3.71 1.67 2.86 -1.58 -3.37 114.93 120.80 1awh h MET 210 Ca -0.28 -0.44 -0.08 0.00 -2.06 0.00 0.00 59.70 56.84 1awh h MET 210 Cb 1.06 0.16 -0.13 0.00 0.06 0.00 0.00 31.60 32.75 1awh h MET 210 CO 1.22 1.16 -0.27 0.20 1.06 0.00 0.00 176.91 180.28 1awh s GLY 211 N -4.79 0.10 -0.13 8.32 0.00 -0.89 -1.21 107.32 108.72 1awh s GLY 211 Ca -0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.09 1awh s GLY 211 CO 0.87 -0.68 -0.01 -0.42 0.00 0.00 0.00 173.10 172.86 1awh s ILE 212 N -3.87 4.18 -0.09 0.90 1.01 -1.08 0.11 121.20 122.35 1awh s ILE 212 Ca 0.08 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 1awh s ILE 212 Cb 0.04 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.65 1awh s ILE 212 CO -0.08 0.54 1.79 -0.69 0.00 0.00 0.00 174.94 176.50 1awh s VAL 213 N -0.21 3.40 0.00 2.92 1.01 0.02 -0.73 120.40 126.81 1awh s VAL 213 Ca 0.05 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1awh s VAL 213 Cb -0.13 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1awh s VAL 213 CO 0.02 -0.10 0.00 -0.24 0.00 0.00 0.00 175.10 174.78 1awh n SER 214 N 8.10 0.00 -2.14 3.32 2.88 -0.83 0.81 113.62 125.77 1awh n SER 214 Ca 0.20 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.65 1awh n SER 214 Cb 0.43 -0.12 -0.02 0.00 -0.75 0.00 0.00 64.21 63.75 1awh n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1awh n TRP 215 N -2.45 -0.92 0.00 0.66 4.27 -0.54 -4.86 117.44 113.59 1awh n TRP 215 Ca 0.00 -1.36 0.00 0.00 -3.89 0.00 0.00 57.50 52.25 1awh n TRP 215 Cb 0.00 0.29 0.00 0.00 -1.36 0.00 0.00 31.31 30.24 1awh n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1awh n GLY 216 N -0.33 1.65 3.51 -1.67 0.00 -1.26 -0.55 105.19 106.54 1awh n GLY 216 Ca 0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1awh n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1awh s GLU 217 N -1.60 3.90 0.15 1.61 2.02 -1.26 -4.94 118.70 118.57 1awh s GLU 217 Ca 0.00 -2.04 0.00 0.00 0.02 0.00 0.00 54.97 52.95 1awh s GLU 217 Cb 0.00 -5.22 0.00 0.00 0.10 0.00 0.00 34.13 29.01 1awh s GLU 217 CO 0.00 -1.98 0.00 0.41 0.02 0.00 0.00 175.26 173.71 1awh n GLY 219 N 5.16 -2.66 3.13 -1.39 0.00 -1.26 -4.83 105.19 103.34 1awh n GLY 219 Ca 0.37 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 1awh n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1awh n ASP 221 N 3.78 -5.19 -4.63 0.00 2.03 -1.26 -4.78 116.55 106.49 1awh n ASP 221 Ca -0.20 -0.38 -0.41 0.00 0.52 0.00 0.00 54.79 54.32 1awh n ASP 221 Cb 0.52 -4.21 -0.05 0.00 -0.72 0.00 0.00 41.12 36.66 1awh n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1awh s ARG 221 N -5.92 4.14 -0.37 -0.67 0.52 -1.26 -4.97 118.95 110.41 1awh s ARG 221 Ca 0.38 0.72 -0.33 0.00 -0.52 0.00 0.00 55.73 55.98 1awh s ARG 221 Cb -0.18 -3.65 -0.14 0.00 0.52 0.00 0.00 34.95 31.49 1awh s ARG 221 CO 0.47 -0.47 1.49 -0.25 0.02 0.00 0.00 175.30 176.57 1awh n ASP 222 N 5.85 0.63 0.00 0.23 8.00 -1.26 -0.20 116.55 129.80 1awh n ASP 222 Ca 0.02 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1awh n ASP 222 Cb 0.48 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1awh n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1awh n GLY 223 N 4.98 0.68 3.68 0.44 0.00 -1.26 -4.93 105.19 108.77 1awh n GLY 223 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 1awh n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1awh s LYS 224 N -0.22 2.71 0.16 1.61 -0.14 0.72 -4.86 119.74 119.72 1awh s LYS 224 Ca 0.00 -0.67 0.11 0.00 -1.36 0.00 0.00 55.97 54.04 1awh s LYS 224 Cb 0.00 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.48 1awh s LYS 224 CO 0.00 0.60 -0.22 0.71 -0.76 0.00 0.00 175.35 175.69 1awh s TYR 225 N -1.13 2.39 0.27 3.18 2.02 -1.26 -4.69 117.35 118.13 1awh s TYR 225 Ca 0.21 -0.33 -0.24 0.00 -0.37 0.00 0.00 57.07 56.34 1awh s TYR 225 Cb -0.12 -1.22 -0.09 0.00 -0.40 0.00 0.00 41.96 40.13 1awh s TYR 225 CO 0.12 0.44 0.86 0.20 -1.57 0.00 0.00 175.55 175.60 1awh s GLY 226 N -2.45 2.76 -0.18 0.71 0.00 -0.99 -4.78 107.32 102.40 1awh s GLY 226 Ca 0.19 0.39 -0.07 0.00 0.00 0.00 0.00 44.72 45.23 1awh s GLY 226 CO 0.10 0.82 0.07 -1.36 0.00 0.00 0.00 173.10 172.72 1awh s PHE 227 N -1.53 3.28 0.06 1.90 0.40 0.28 -1.99 117.98 120.38 1awh s PHE 227 Ca 0.46 0.12 0.09 0.00 -0.60 0.00 0.00 56.93 57.00 1awh s PHE 227 Cb -0.19 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 1awh s PHE 227 CO 0.23 0.20 -0.25 0.71 0.70 0.00 0.00 175.22 176.81 1awh s TYR 228 N 0.25 2.22 -0.04 0.36 1.51 0.27 -1.47 117.35 120.46 1awh s TYR 228 Ca 0.04 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 1awh s TYR 228 Cb -0.12 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 1awh s TYR 228 CO 0.00 0.15 1.32 0.99 -1.11 0.00 0.00 175.55 176.90 1awh s THR 229 N -0.84 3.96 -0.51 -0.71 2.01 0.09 -1.38 115.64 118.25 1awh s THR 229 Ca 0.11 1.31 -0.27 0.00 0.31 0.00 0.00 61.69 63.14 1awh s THR 229 Cb -0.10 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1awh s THR 229 CO 0.02 -0.02 1.69 -2.28 -0.69 0.00 0.00 174.62 173.35 1awh s HIS 230 N 2.48 1.91 0.13 4.92 2.46 -1.10 -2.65 115.29 123.45 1awh s HIS 230 Ca 0.60 0.65 -0.14 0.00 0.47 0.00 0.00 55.06 56.64 1awh s HIS 230 Cb -0.28 -4.20 -0.02 0.00 -0.13 0.00 0.00 32.58 27.95 1awh s HIS 230 CO 0.24 -2.37 1.54 0.28 -2.47 0.00 0.00 174.74 171.96 1awh h VAL 231 N 6.70 1.27 -0.45 0.89 2.07 -1.46 -3.06 116.25 122.21 1awh h VAL 231 Ca -0.28 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.10 1awh h VAL 231 Cb 1.14 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 1awh h VAL 231 CO 1.15 0.39 0.27 0.15 0.02 0.00 0.00 177.57 179.55 1awh h PHE 232 N 0.60 0.50 0.00 1.57 3.57 -1.86 -1.12 116.94 120.20 1awh h PHE 232 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1awh h PHE 232 Cb 0.60 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1awh h PHE 232 CO 0.05 0.28 0.00 0.54 -2.23 0.00 0.00 178.31 176.95 1awh n ARG 233 N -4.84 0.11 0.00 1.11 1.74 -1.16 -0.07 116.66 113.55 1awh n ARG 233 Ca 0.02 0.51 0.12 0.00 -0.77 0.00 0.00 57.85 57.73 1awh n ARG 233 Cb 0.07 -1.79 0.10 0.00 -1.02 0.00 0.00 32.46 29.82 1awh n ARG 233 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1awh n LEU 234 N -2.01 2.02 -0.47 0.55 4.77 -0.53 -4.76 117.00 116.57 1awh n LEU 234 Ca 0.00 -0.71 0.38 0.00 -0.03 0.00 0.00 56.01 55.66 1awh n LEU 234 Cb 0.09 -0.02 0.68 0.00 -2.33 0.00 0.00 43.42 41.84 1awh n LEU 234 CO 0.10 0.36 1.30 0.50 -1.33 0.00 0.00 177.39 178.32 1awh h LYS 235 N 2.64 0.09 -0.64 3.23 3.64 0.64 -2.51 116.57 123.67 1awh h LYS 235 Ca 0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1awh h LYS 235 Cb 0.75 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1awh h LYS 235 CO 0.00 0.06 0.15 -0.22 -2.27 0.00 0.00 179.45 177.16 1awh h LYS 236 N 0.09 1.02 0.28 1.90 3.11 -1.86 -0.83 116.57 120.29 1awh h LYS 236 Ca 0.79 -0.25 -0.00 0.00 -2.81 0.00 0.00 60.65 58.37 1awh h LYS 236 Cb 2.66 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 33.73 1awh h LYS 236 CO -0.27 0.93 -0.39 2.35 -2.81 0.00 0.00 179.45 179.26 1awh h TRP 237 N 0.94 -1.09 -0.93 1.91 7.01 -1.84 0.36 115.95 122.32 1awh h TRP 237 Ca 0.20 0.02 0.32 0.00 2.11 0.00 0.00 58.89 61.53 1awh h TRP 237 Cb 0.37 0.44 -0.17 0.00 -2.10 0.00 0.00 29.16 27.70 1awh h TRP 237 CO 0.03 -0.49 0.25 -0.89 -2.79 0.00 0.00 178.44 174.55 1awh n ILE 238 N -4.71 -0.39 -0.03 2.65 5.41 -1.14 -0.65 119.36 120.49 1awh n ILE 238 Ca -0.08 1.96 -0.12 0.00 1.00 0.00 0.00 62.75 65.52 1awh n ILE 238 Cb 0.33 -3.02 -0.06 0.00 -0.71 0.00 0.00 39.64 36.19 1awh n ILE 238 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1awh h GLN 239 N 0.00 0.19 -0.23 0.38 4.20 -0.11 -2.74 115.11 116.80 1awh h GLN 239 Ca 0.67 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 59.37 1awh h GLN 239 Cb 1.61 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.33 1awh h GLN 239 CO -0.80 0.35 0.01 -0.22 -0.67 0.00 0.00 178.83 177.50 1awh h LYS 240 N 0.00 0.08 -0.15 1.46 1.63 0.20 0.39 116.57 120.19 1awh h LYS 240 Ca 0.04 -0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.68 1awh h LYS 240 Cb 0.24 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1awh h LYS 240 CO -0.00 0.06 -0.54 -0.39 -3.45 0.00 0.00 179.45 175.13 1awh h VAL 241 N 0.09 1.34 -0.13 2.00 -1.51 -1.32 -2.22 116.25 114.49 1awh h VAL 241 Ca 0.11 -1.80 -0.09 0.00 -1.23 0.00 0.00 66.70 63.68 1awh h VAL 241 Cb 0.13 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1awh h VAL 241 CO -0.17 0.55 -0.33 0.40 -1.23 0.00 0.00 177.57 176.79 1awh h ILE 242 N 0.34 1.28 0.00 7.19 2.04 -1.29 -1.88 117.51 125.19 1awh h ILE 242 Ca 0.01 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1awh h ILE 242 Cb 1.05 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1awh h ILE 242 CO 0.09 0.40 0.00 -0.90 0.00 0.00 0.00 178.15 177.75 1awh n ASP 243 N -4.09 3.13 0.00 1.72 5.75 0.13 -3.66 116.55 119.53 1awh n ASP 243 Ca -0.01 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1awh n ASP 243 Cb 0.42 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1awh n ASP 243 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1awh n GLN 244 N 0.69 0.00 -4.04 0.11 1.13 -0.70 -5.00 117.38 109.57 1awh n GLN 244 Ca 0.00 0.15 -0.29 0.00 -1.94 0.00 0.00 57.00 54.92 1awh n GLN 244 Cb 0.47 -0.57 -0.06 0.00 0.11 0.00 0.00 30.24 30.19 1awh n GLN 244 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1awh s PHE 245 N -0.74 3.23 0.00 1.08 5.36 -1.24 -5.00 117.98 120.67 1awh s PHE 245 Ca 0.00 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.04 1awh s PHE 245 Cb 0.00 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.07 1awh s PHE 245 CO 0.00 0.53 0.00 0.41 -1.46 0.00 0.00 175.22 174.70 1awh n GLY 246 N 0.13 -0.47 0.00 13.12 0.00 -1.26 -5.02 105.19 111.69 1awh n GLY 246 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1awh n GLY 246 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48