#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwh s ALA 2 N 0.00 1.74 0.56 -5.12 0.00 -1.26 -5.04 121.76 112.64 1pwh s ALA 2 Ca 0.00 -1.83 0.39 0.00 0.00 0.00 0.00 51.96 50.52 1pwh s ALA 2 Cb 0.00 1.08 1.53 0.00 0.00 0.00 0.00 23.12 25.73 1pwh s ALA 2 CO 0.00 -0.47 1.68 0.00 0.00 0.00 0.00 175.76 176.96 1pwh h ALA 3 N 2.37 3.26 0.00 0.00 0.00 -2.08 -2.15 119.26 120.66 1pwh h ALA 3 Ca -0.37 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1pwh h ALA 3 Cb 1.25 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1pwh h ALA 3 CO 0.59 -1.75 -0.10 1.04 0.00 0.00 0.00 179.25 179.03 1pwh n GLN 4 N -3.94 1.17 -0.05 0.00 3.00 -1.26 -4.10 117.38 112.21 1pwh n GLN 4 Ca 0.30 -0.33 -0.09 0.00 -0.01 0.00 0.00 57.00 56.87 1pwh n GLN 4 Cb 1.48 -1.42 -0.04 0.00 0.00 0.00 0.00 30.24 30.26 1pwh n GLN 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1pwh n GLU 5 N 1.98 0.22 -4.13 -1.09 4.07 -0.81 -5.03 120.64 115.87 1pwh n GLU 5 Ca 0.14 0.07 -0.16 0.00 -0.06 0.00 0.00 57.16 57.16 1pwh n GLU 5 Cb 0.56 -1.02 -0.14 0.00 -0.06 0.00 0.00 31.44 30.77 1pwh n GLU 5 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1pwh s SER 6 N -5.42 0.56 0.20 4.31 0.01 -1.26 -5.03 113.70 107.07 1pwh s SER 6 Ca -0.13 -0.08 0.11 0.00 1.31 0.00 0.00 55.95 57.15 1pwh s SER 6 Cb 0.04 -0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 1pwh s SER 6 CO 0.20 0.05 1.35 -0.07 0.41 0.00 0.00 173.24 175.18 1pwh h LEU 7 N 6.08 0.00-10.52 2.44 3.38 -1.89 -3.45 115.31 111.35 1pwh h LEU 7 Ca -0.28 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.24 1pwh h LEU 7 Cb 1.19 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.00 1pwh h LEU 7 CO 0.50 0.74 0.12 -1.38 0.09 0.00 0.00 178.44 178.51 1pwh s HIS 8 N -2.84 2.95 0.19 1.13 -3.43 -1.26 -4.85 115.29 107.18 1pwh s HIS 8 Ca 0.02 0.31 0.06 0.00 -0.80 0.00 0.00 55.06 54.65 1pwh s HIS 8 Cb 0.09 -2.95 -0.05 0.00 -1.43 0.00 0.00 32.58 28.24 1pwh s HIS 8 CO 0.78 -1.11 -0.11 0.14 -2.00 0.00 0.00 174.74 172.44 1pwh s VAL 9 N -3.02 1.42 -0.16 -5.38 -7.23 -1.26 -5.06 120.40 99.70 1pwh s VAL 9 Ca 0.58 -2.13 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 1pwh s VAL 9 Cb -0.11 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1pwh s VAL 9 CO 0.42 -0.62 1.18 -0.54 -0.31 0.00 0.00 175.10 175.23 1pwh s LYS 10 N -3.71 4.27 0.25 4.82 1.02 -1.26 -4.94 119.74 120.18 1pwh s LYS 10 Ca 0.21 1.57 0.03 0.00 0.02 0.00 0.00 55.97 57.80 1pwh s LYS 10 Cb 0.02 -3.68 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 1pwh s LYS 10 CO 0.04 -0.61 0.39 0.95 -0.92 0.00 0.00 175.35 175.21 1pwh s THR 11 N 3.09 5.23 0.64 2.17 -4.23 -1.26 -5.08 115.64 116.20 1pwh s THR 11 Ca 0.52 -0.76 -0.18 0.00 -1.18 0.00 0.00 61.69 60.09 1pwh s THR 11 Cb -0.20 -3.83 -0.01 0.00 1.34 0.00 0.00 72.50 69.79 1pwh s THR 11 CO 0.14 -0.33 1.26 -2.84 -0.54 0.00 0.00 174.62 172.31 1pwh s PRO 12 N -3.87 2.63 -0.56 3.99 0.02 -1.26 -4.78 135.00 131.16 1pwh s PRO 12 Ca 0.36 1.96 0.04 0.00 0.02 0.00 0.00 61.00 63.38 1pwh s PRO 12 Cb -0.10 -1.87 0.14 0.00 0.02 0.00 0.00 34.50 32.70 1pwh s PRO 12 CO 0.30 -1.51 0.32 -1.17 -0.33 0.00 0.00 177.00 174.61 1pwh s LEU 13 N -4.37 4.46 0.27 -5.54 2.96 -1.26 -1.21 118.68 113.98 1pwh s LEU 13 Ca 0.80 -3.18 -0.29 0.00 -0.22 0.00 0.00 54.13 51.24 1pwh s LEU 13 Cb -0.34 -1.65 -0.09 0.00 0.50 0.00 0.00 46.19 44.60 1pwh s LEU 13 CO 0.38 -0.21 0.98 -0.60 -1.32 0.00 0.00 176.35 175.59 1pwh s ARG 14 N -0.52 4.74 -0.39 1.98 3.52 0.42 -4.78 118.95 123.91 1pwh s ARG 14 Ca 0.19 1.54 -0.20 0.00 -0.13 0.00 0.00 55.73 57.12 1pwh s ARG 14 Cb -0.21 -3.16 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 1pwh s ARG 14 CO -0.03 0.39 0.62 0.34 -0.81 0.00 0.00 175.30 175.81 1pwh s ASP 15 N -1.19 6.36 -0.38 -2.12 3.68 -1.26 0.50 116.67 122.26 1pwh s ASP 15 Ca 0.44 -0.10 -0.17 0.00 2.13 0.00 0.00 52.55 54.85 1pwh s ASP 15 Cb -0.26 -2.32 0.01 0.00 -1.45 0.00 0.00 42.92 38.90 1pwh s ASP 15 CO 0.33 -0.66 0.45 -0.55 0.13 0.00 0.00 175.17 174.87 1pwh s SER 16 N 1.88 6.23 0.23 -0.34 0.15 -0.25 -4.91 113.70 116.70 1pwh s SER 16 Ca 0.23 -0.36 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1pwh s SER 16 Cb -0.14 -2.24 0.22 0.00 -1.71 0.00 0.00 66.02 62.15 1pwh s SER 16 CO 0.16 -0.51 1.54 0.24 1.20 0.00 0.00 173.24 175.88 1pwh h MET 17 N 8.60 0.24 0.67 5.44 2.86 -1.96 -2.35 114.93 128.44 1pwh h MET 17 Ca -0.28 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.16 1pwh h MET 17 Cb 1.12 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.82 1pwh h MET 17 CO 0.77 0.79 -0.32 0.00 1.06 0.00 0.00 176.91 179.21 1pwh h ALA 18 N 1.17 -0.90 0.00 6.32 0.00 -1.91 -2.32 119.26 121.61 1pwh h ALA 18 Ca -0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1pwh h ALA 18 Cb 1.14 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1pwh h ALA 18 CO 0.10 -0.93 -0.35 -0.07 0.00 0.00 0.00 179.25 177.99 1pwh h LEU 19 N -1.05 0.00 -1.19 0.00 4.07 -1.93 -2.46 115.31 112.75 1pwh h LEU 19 Ca -0.09 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.79 1pwh h LEU 19 Cb 0.73 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1pwh h LEU 19 CO 0.15 0.35 -0.34 0.28 -1.08 0.00 0.00 178.44 177.80 1pwh h SER 20 N 0.00 0.11 -0.18 -0.43 0.02 -1.40 0.32 113.55 111.98 1pwh h SER 20 Ca -0.00 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1pwh h SER 20 Cb 0.85 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 1pwh h SER 20 CO 0.05 0.45 -0.21 0.50 -1.14 0.00 0.00 176.83 176.47 1pwh h LYS 21 N 0.09 0.47 -0.37 3.45 3.64 -0.95 -1.55 116.57 121.36 1pwh h LYS 21 Ca 0.01 -0.26 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1pwh h LYS 21 Cb 0.65 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1pwh h LYS 21 CO 0.05 0.84 -0.21 0.28 -2.27 0.00 0.00 179.45 178.13 1pwh h VAL 22 N 0.13 1.27 0.00 2.00 2.07 -1.23 -3.19 116.25 117.30 1pwh h VAL 22 Ca 0.03 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1pwh h VAL 22 Cb 0.77 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1pwh h VAL 22 CO 0.05 0.43 -0.22 0.00 0.02 0.00 0.00 177.57 177.85 1pwh h ALA 23 N 1.14 0.87 0.00 1.67 0.00 -0.93 -3.48 119.26 118.54 1pwh h ALA 23 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pwh h ALA 23 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pwh h ALA 23 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1pwh n GLY 24 N 1.23 0.36 3.35 0.00 0.00 -0.60 -4.79 105.19 104.75 1pwh n GLY 24 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1pwh n GLY 24 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pwh s THR 25 N -1.75 0.05 0.02 2.61 -1.32 -1.14 -5.01 115.64 109.11 1pwh s THR 25 Ca 0.00 -0.39 -0.36 0.00 -1.21 0.00 0.00 61.69 59.74 1pwh s THR 25 Cb 0.00 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.84 1pwh s THR 25 CO 0.00 -0.21 1.59 -0.24 -2.21 0.00 0.00 174.62 173.55 1pwh n SER 26 N 0.30 2.63 -4.03 8.08 2.88 -1.26 -4.41 113.62 117.80 1pwh n SER 26 Ca -0.18 1.07 -0.28 0.00 -1.33 0.00 0.00 58.87 58.15 1pwh n SER 26 Cb 0.61 -1.30 -0.17 0.00 -0.75 0.00 0.00 64.21 62.60 1pwh n SER 26 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1pwh s VAL 27 N 1.80 1.43 0.04 2.46 1.01 -1.26 -0.67 120.40 125.19 1pwh s VAL 27 Ca 0.86 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.29 1pwh s VAL 27 Cb -0.82 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1pwh s VAL 27 CO 0.47 0.43 -0.03 -0.36 0.00 0.00 0.00 175.10 175.61 1pwh s PHE 28 N 1.11 2.96 -0.11 5.22 2.99 0.19 -1.09 117.98 129.26 1pwh s PHE 28 Ca -0.04 -0.01 0.03 0.00 0.00 0.00 0.00 56.93 56.91 1pwh s PHE 28 Cb -0.14 -1.59 -0.00 0.00 0.00 0.00 0.00 43.02 41.29 1pwh s PHE 28 CO -0.03 0.44 -0.23 -0.51 -0.00 0.00 0.00 175.22 174.89 1pwh s LEU 29 N -1.80 2.16 -0.61 -0.37 1.43 0.18 -0.36 118.68 119.32 1pwh s LEU 29 Ca 0.21 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 1pwh s LEU 29 Cb -0.11 -1.44 0.11 0.00 0.03 0.00 0.00 46.19 44.78 1pwh s LEU 29 CO 0.12 0.15 0.71 -0.75 0.23 0.00 0.00 176.35 176.81 1pwh s LYS 30 N 0.41 3.08 -0.48 1.70 2.47 -0.50 -0.44 119.74 125.98 1pwh s LYS 30 Ca -0.16 -1.42 -0.08 0.00 -1.56 0.00 0.00 55.97 52.75 1pwh s LYS 30 Cb -0.17 -4.30 -0.07 0.00 -1.46 0.00 0.00 37.83 31.82 1pwh s LYS 30 CO 0.07 -1.53 1.63 -1.33 0.16 0.00 0.00 175.35 174.36 1pwh n MET 31 N 6.16 1.07 0.00 4.03 2.81 -0.35 -1.81 117.12 129.02 1pwh n MET 31 Ca -0.08 -1.11 0.12 0.00 -1.81 0.00 0.00 57.70 54.82 1pwh n MET 31 Cb 0.43 -2.34 0.68 0.00 -0.71 0.00 0.00 33.22 31.28 1pwh n MET 31 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1pwh n ASP 32 N 5.30 0.00 0.06 7.83 9.92 -1.02 -1.51 116.55 137.13 1pwh n ASP 32 Ca 0.29 -0.68 0.11 0.00 -0.53 0.00 0.00 54.79 53.99 1pwh n ASP 32 Cb 0.14 -0.02 0.45 0.00 -0.64 0.00 0.00 41.12 41.05 1pwh n ASP 32 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1pwh n SER 33 N -1.02 0.38 -0.13 -2.24 3.41 -1.12 -2.30 113.62 110.60 1pwh n SER 33 Ca 0.17 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 1pwh n SER 33 Cb 0.09 -0.66 0.47 0.00 -0.26 0.00 0.00 64.21 63.85 1pwh n SER 33 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pwh n SER 34 N -1.89 0.62 -4.63 4.04 7.64 -0.57 -4.56 113.62 114.27 1pwh n SER 34 Ca 0.04 -0.54 -0.30 0.00 1.01 0.00 0.00 58.87 59.08 1pwh n SER 34 Cb 0.29 0.02 0.18 0.00 -1.01 0.00 0.00 64.21 63.69 1pwh n SER 34 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1pwh s GLN 35 N -2.61 0.59 0.20 1.43 -1.52 -0.97 -4.90 119.66 111.87 1pwh s GLN 35 Ca 0.23 1.36 -0.11 0.00 -1.95 0.00 0.00 55.36 54.89 1pwh s GLN 35 Cb 0.19 -1.69 0.25 0.00 -0.22 0.00 0.00 33.01 31.54 1pwh s GLN 35 CO 0.53 -2.86 1.72 -1.35 -0.25 0.00 0.00 175.29 173.08 1pwh h PRO 36 N -2.03 0.27 -0.01 2.91 0.11 -1.88 -2.34 132.00 129.03 1pwh h PRO 36 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pwh h PRO 36 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pwh h PRO 36 CO 0.44 0.18 -0.12 -1.13 -0.21 0.00 0.00 178.00 177.16 1pwh n SER 37 N -5.10 0.93 0.00 -2.05 3.41 -1.26 -4.91 113.62 104.64 1pwh n SER 37 Ca 0.08 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 1pwh n SER 37 Cb 0.28 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1pwh n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pwh n GLY 38 N 1.25 0.51 3.56 5.00 0.00 -0.88 -4.72 105.19 109.91 1pwh n GLY 38 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1pwh n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pwh s SER 39 N -2.74 -0.16 0.65 1.61 1.04 -1.24 -2.22 113.70 110.63 1pwh s SER 39 Ca 0.00 -0.70 0.39 0.00 0.48 0.00 0.00 55.95 56.12 1pwh s SER 39 Cb 0.00 0.58 2.19 0.00 0.10 0.00 0.00 66.02 68.89 1pwh s SER 39 CO 0.00 -1.10 2.30 2.19 0.98 0.00 0.00 173.24 177.61 1pwh h PHE 40 N 2.24 0.00 -1.30 5.02 -5.15 -1.49 -3.14 116.94 113.12 1pwh h PHE 40 Ca -0.27 0.00 0.40 0.00 -0.20 0.00 0.00 57.97 57.89 1pwh h PHE 40 Cb 1.25 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 37.32 1pwh h PHE 40 CO 0.38 0.00 0.86 0.87 -2.00 0.00 0.00 178.31 178.42 1pwh h LYS 41 N 0.00 0.14 0.00 6.09 1.79 -1.89 -0.65 116.57 122.05 1pwh h LYS 41 Ca 0.01 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1pwh h LYS 41 Cb 0.08 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1pwh h LYS 41 CO -0.00 0.09 -0.05 0.97 -1.08 0.00 0.00 179.45 179.38 1pwh h ILE 42 N 0.14 0.46 0.11 1.86 6.09 -1.88 0.45 117.51 124.75 1pwh h ILE 42 Ca 0.74 -0.23 -0.01 0.00 -1.37 0.00 0.00 64.86 63.99 1pwh h ILE 42 Cb 2.39 1.16 0.00 0.00 0.47 0.00 0.00 36.82 40.83 1pwh h ILE 42 CO -0.30 0.05 -0.05 0.03 -3.07 0.00 0.00 178.15 174.81 1pwh h ARG 43 N 0.00 -0.14 -0.14 2.19 3.08 -1.39 0.47 114.38 118.45 1pwh h ARG 43 Ca -0.00 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1pwh h ARG 43 Cb 0.15 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1pwh h ARG 43 CO 0.01 -0.09 -0.44 0.78 -1.07 0.00 0.00 179.97 179.15 1pwh h GLY 44 N -0.15 0.61 1.20 0.04 0.00 -1.69 -2.72 103.07 100.36 1pwh h GLY 44 Ca -0.01 -0.79 -0.07 0.00 0.00 0.00 0.00 47.33 46.45 1pwh h GLY 44 CO 0.02 0.70 0.07 -2.22 0.00 0.00 0.00 176.54 175.12 1pwh h ILE 45 N 0.18 1.25 0.00 2.60 1.08 -1.03 -1.63 117.51 119.96 1pwh h ILE 45 Ca -0.02 -1.01 -0.07 0.00 -0.39 0.00 0.00 64.86 63.37 1pwh h ILE 45 Cb 1.07 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 1pwh h ILE 45 CO 0.09 0.37 -0.35 1.23 -0.69 0.00 0.00 178.15 178.80 1pwh h GLY 46 N 1.02 0.00 1.14 5.37 0.00 -0.94 -1.86 103.07 107.80 1pwh h GLY 46 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.29 1pwh h GLY 46 CO 0.01 0.00 -0.77 0.84 0.00 0.00 0.00 176.54 176.63 1pwh h HIS 47 N 0.00 1.03 -0.29 5.60 -0.00 -1.09 -0.74 115.15 119.67 1pwh h HIS 47 Ca -0.00 -0.47 -0.02 0.00 -0.00 0.00 0.00 60.37 59.88 1pwh h HIS 47 Cb 0.63 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1pwh h HIS 47 CO 0.00 1.30 0.12 1.25 -0.00 0.00 0.00 177.93 180.59 1pwh h LEU 48 N 0.48 0.41 0.33 0.26 6.46 -1.07 -1.99 115.31 120.18 1pwh h LEU 48 Ca -0.06 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1pwh h LEU 48 Cb 1.40 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.23 1pwh h LEU 48 CO 0.16 0.46 -0.16 0.00 -0.62 0.00 0.00 178.44 178.28 1pwh h LYS 50 N -0.61 0.74 0.05 0.00 1.63 -1.13 0.48 116.57 117.72 1pwh h LYS 50 Ca -0.05 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1pwh h LYS 50 Cb 0.44 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1pwh h LYS 50 CO 0.08 0.49 -0.02 1.98 -3.45 0.00 0.00 179.45 178.52 1pwh h MET 51 N 0.76 -0.06 0.00 1.90 4.05 -1.21 -2.02 114.93 118.35 1pwh h MET 51 Ca 0.56 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.96 1pwh h MET 51 Cb 0.88 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.69 1pwh h MET 51 CO -0.34 0.45 -0.11 0.87 0.23 0.00 0.00 176.91 178.01 1pwh h LYS 52 N -0.60 0.00 -0.23 0.39 6.56 -0.16 -1.60 116.57 120.93 1pwh h LYS 52 Ca -0.01 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.38 1pwh h LYS 52 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 1pwh h LYS 52 CO 0.01 0.11 -0.65 0.00 -2.06 0.00 0.00 179.45 176.85 1pwh h ALA 53 N 1.89 0.41 0.00 3.86 0.00 -0.03 -2.22 119.26 123.17 1pwh h ALA 53 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1pwh h ALA 53 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pwh h ALA 53 CO 0.01 0.68 0.00 1.63 0.00 0.00 0.00 179.25 181.58 1pwh n LYS 54 N -3.97 0.03 0.07 0.00 4.76 -0.77 -1.83 118.16 116.45 1pwh n LYS 54 Ca -0.06 0.21 0.12 0.00 -2.87 0.00 0.00 58.31 55.71 1pwh n LYS 54 Cb 0.68 -1.55 0.20 0.00 -1.84 0.00 0.00 35.03 32.52 1pwh n LYS 54 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1pwh h GLN 55 N 0.00 0.00 0.00 1.97 4.15 -0.76 -3.48 115.11 116.99 1pwh h GLN 55 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pwh h GLN 55 Cb 0.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1pwh h GLN 55 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 1pwh n GLY 56 N 1.32 0.73 3.60 2.39 0.00 -0.76 -5.07 105.19 107.40 1pwh n GLY 56 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1pwh n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwh n LYS 58 N -0.84 -0.54 -3.64 0.00 4.76 0.88 -4.80 118.16 113.98 1pwh n LYS 58 Ca 0.13 -0.62 -0.04 0.00 -2.87 0.00 0.00 58.31 54.91 1pwh n LYS 58 Cb 0.47 -1.00 -0.07 0.00 -1.84 0.00 0.00 35.03 32.59 1pwh n LYS 58 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1pwh s HIS 59 N -0.12 -0.69 -0.10 2.13 2.46 -1.10 -4.27 115.29 113.61 1pwh s HIS 59 Ca 0.00 1.40 -0.09 0.00 0.47 0.00 0.00 55.06 56.84 1pwh s HIS 59 Cb 0.00 0.42 -0.04 0.00 -0.13 0.00 0.00 32.58 32.82 1pwh s HIS 59 CO 0.00 -0.34 0.20 -0.06 -2.47 0.00 0.00 174.74 172.07 1pwh s PHE 60 N 1.33 3.62 -0.10 3.88 0.40 -1.01 -0.94 117.98 125.16 1pwh s PHE 60 Ca -0.08 0.63 0.02 0.00 -0.60 0.00 0.00 56.93 56.90 1pwh s PHE 60 Cb -0.04 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.46 1pwh s PHE 60 CO -0.15 0.69 -0.15 0.08 0.70 0.00 0.00 175.22 176.39 1pwh s VAL 61 N -0.95 1.46 -0.04 -0.44 1.01 -0.32 -0.48 120.40 120.64 1pwh s VAL 61 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1pwh s VAL 61 Cb -0.13 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1pwh s VAL 61 CO 0.06 0.43 -0.02 0.00 0.00 0.00 0.00 175.10 175.57 1pwh s SER 63 N 1.14 6.29 0.15 0.00 1.04 -1.26 0.24 113.70 121.30 1pwh s SER 63 Ca -0.08 0.32 -0.13 0.00 0.48 0.00 0.00 55.95 56.54 1pwh s SER 63 Cb -0.14 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.77 1pwh s SER 63 CO -0.01 -0.22 0.35 -0.55 0.98 0.00 0.00 173.24 173.79 1pwh s SER 64 N 1.63 -0.08 0.00 7.02 0.15 0.21 -4.34 113.70 118.29 1pwh s SER 64 Ca 0.16 -0.61 0.19 0.00 0.70 0.00 0.00 55.95 56.40 1pwh s SER 64 Cb -0.16 0.46 0.54 0.00 -1.71 0.00 0.00 66.02 65.15 1pwh s SER 64 CO 0.10 -0.89 1.44 0.00 1.20 0.00 0.00 173.24 175.09 1pwh n ALA 65 N -0.22 2.45 0.00 5.45 0.00 -1.26 -4.07 120.51 122.86 1pwh n ALA 65 Ca -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1pwh n ALA 65 Cb 0.63 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1pwh n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwh n GLY 66 N 1.31 3.81 0.12 0.00 0.00 -1.26 -4.75 105.19 104.43 1pwh n GLY 66 Ca 0.17 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1pwh n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pwh h ASN 67 N 0.14 0.55 0.05 1.61 2.35 -1.97 -0.74 115.58 117.58 1pwh h ASN 67 Ca 0.00 -0.94 -0.08 0.00 -0.55 0.00 0.00 56.30 54.73 1pwh h ASN 67 Cb 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1pwh h ASN 67 CO 0.00 1.45 -0.23 0.00 -1.65 0.00 0.00 177.43 176.99 1pwh h ALA 68 N 0.11 1.28 -0.25 -0.83 0.00 -1.94 -0.99 119.26 116.64 1pwh h ALA 68 Ca -0.16 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1pwh h ALA 68 Cb 1.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1pwh h ALA 68 CO 0.18 0.48 -0.40 0.78 0.00 0.00 0.00 179.25 180.29 1pwh h GLY 69 N 0.97 0.64 0.98 0.00 0.00 -1.90 -0.41 103.07 103.34 1pwh h GLY 69 Ca 0.05 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.64 1pwh h GLY 69 CO 0.04 0.57 -0.19 -0.33 0.00 0.00 0.00 176.54 176.63 1pwh h MET 70 N 0.48 0.75 -0.89 4.80 2.07 -0.64 -0.89 114.93 120.60 1pwh h MET 70 Ca 0.04 -0.34 -0.00 0.00 -2.07 0.00 0.00 59.70 57.33 1pwh h MET 70 Cb 0.91 -0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.58 1pwh h MET 70 CO 0.08 0.95 0.55 0.00 1.07 0.00 0.00 176.91 179.56 1pwh h ALA 71 N 0.78 1.14 -0.26 6.32 0.00 -1.02 -0.43 119.26 125.79 1pwh h ALA 71 Ca 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1pwh h ALA 71 Cb 0.74 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1pwh h ALA 71 CO 0.06 0.58 -0.03 1.15 0.00 0.00 0.00 179.25 181.00 1pwh h THR 72 N 1.22 1.27 -0.84 0.00 2.02 -0.94 -0.63 112.91 115.01 1pwh h THR 72 Ca 0.32 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1pwh h THR 72 Cb -0.08 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1pwh h THR 72 CO -0.06 0.31 0.45 0.00 0.37 0.00 0.00 175.52 176.58 1pwh h ALA 73 N 0.79 1.08 -0.45 6.16 0.00 -0.85 -0.88 119.26 125.12 1pwh h ALA 73 Ca 0.07 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1pwh h ALA 73 Cb 0.47 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1pwh h ALA 73 CO 0.02 0.61 -0.24 -0.92 0.00 0.00 0.00 179.25 178.71 1pwh h TYR 74 N 1.18 1.11 -0.37 0.00 3.20 -1.00 -2.24 116.97 118.86 1pwh h TYR 74 Ca 0.29 -0.28 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1pwh h TYR 74 Cb 0.06 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1pwh h TYR 74 CO 0.01 1.10 0.13 0.00 -1.64 0.00 0.00 178.16 177.76 1pwh h ALA 75 N 0.84 0.48 -0.19 1.82 0.00 -0.76 -2.58 119.26 118.87 1pwh h ALA 75 Ca 0.10 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1pwh h ALA 75 Cb 0.82 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1pwh h ALA 75 CO 0.07 0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.29 1pwh h ALA 76 N 0.97 0.01 -0.23 0.00 0.00 -1.08 0.18 119.26 119.10 1pwh h ALA 76 Ca 0.12 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1pwh h ALA 76 Cb 0.23 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1pwh h ALA 76 CO -0.01 -0.56 -0.02 -0.09 0.00 0.00 0.00 179.25 178.57 1pwh h ARG 77 N -0.13 0.05 -0.35 0.00 2.43 -1.34 0.29 114.38 115.33 1pwh h ARG 77 Ca 0.11 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1pwh h ARG 77 Cb 0.30 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1pwh h ARG 77 CO -0.27 0.03 0.10 0.00 -1.51 0.00 0.00 179.97 178.32 1pwh h ARG 78 N 0.05 0.50 -0.21 0.20 2.47 -1.03 -1.19 114.38 115.16 1pwh h ARG 78 Ca 0.11 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1pwh h ARG 78 Cb 0.15 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1pwh h ARG 78 CO -0.20 0.46 0.00 1.28 0.56 0.00 0.00 179.97 182.06 1pwh n LEU 79 N -4.36 1.82 -3.61 3.04 4.77 0.58 -4.94 117.00 114.30 1pwh n LEU 79 Ca 0.02 -0.79 -0.23 0.00 -0.03 0.00 0.00 56.01 54.98 1pwh n LEU 79 Cb 0.17 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1pwh n LEU 79 CO 0.37 0.39 0.17 0.61 -1.33 0.00 0.00 177.39 177.61 1pwh n GLY 80 N 1.14 -0.48 3.22 -0.72 0.00 0.73 -5.01 105.19 104.07 1pwh n GLY 80 Ca 0.16 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 1pwh n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwh s LEU 81 N -7.03 2.49 0.81 0.99 1.43 0.45 -5.01 118.68 112.82 1pwh s LEU 81 Ca 0.41 -0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 1pwh s LEU 81 Cb -0.19 -0.30 0.08 0.00 0.03 0.00 0.00 46.19 45.82 1pwh s LEU 81 CO 0.75 -0.33 1.09 -2.84 0.23 0.00 0.00 176.35 175.26 1pwh s PRO 82 N -3.45 1.94 -0.24 1.29 0.02 -1.26 -4.07 135.00 129.23 1pwh s PRO 82 Ca 0.12 0.76 -0.21 0.00 0.02 0.00 0.00 61.00 61.70 1pwh s PRO 82 Cb 0.01 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.70 1pwh s PRO 82 CO -0.00 -1.76 0.63 0.00 -0.33 0.00 0.00 177.00 175.55 1pwh s ALA 83 N -3.06 -1.59 -0.08 -1.55 0.00 -1.26 -2.39 121.76 111.83 1pwh s ALA 83 Ca 0.61 1.85 0.03 0.00 0.00 0.00 0.00 51.96 54.45 1pwh s ALA 83 Cb -0.16 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 21.89 1pwh s ALA 83 CO 0.55 -0.31 -0.17 0.99 0.00 0.00 0.00 175.76 176.82 1pwh s THR 84 N 0.50 1.53 -0.19 0.00 2.01 0.37 -0.87 115.64 118.98 1pwh s THR 84 Ca -0.01 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 1pwh s THR 84 Cb -0.05 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 1pwh s THR 84 CO -0.02 0.44 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.64 1pwh s ILE 85 N 0.54 3.18 -0.31 1.82 -1.09 0.24 -1.57 121.20 124.01 1pwh s ILE 85 Ca -0.16 -0.57 -0.13 0.00 -2.23 0.00 0.00 60.65 57.55 1pwh s ILE 85 Cb -0.17 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 1pwh s ILE 85 CO 0.06 0.47 0.26 -0.69 -1.23 0.00 0.00 174.94 173.81 1pwh s VAL 86 N 1.10 5.26 0.08 2.92 1.01 0.14 -0.72 120.40 130.19 1pwh s VAL 86 Ca 0.01 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1pwh s VAL 86 Cb -0.15 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1pwh s VAL 86 CO -0.02 0.11 -0.16 0.54 0.00 0.00 0.00 175.10 175.57 1pwh s VAL 87 N 1.85 1.31 0.66 2.92 0.11 -0.06 -0.62 120.40 126.57 1pwh s VAL 87 Ca 0.09 -1.39 -0.12 0.00 -2.93 0.00 0.00 61.98 57.62 1pwh s VAL 87 Cb -0.16 -1.24 -0.01 0.00 -1.53 0.00 0.00 36.38 33.44 1pwh s VAL 87 CO 0.11 -0.18 1.05 -2.16 -3.33 0.00 0.00 175.10 170.59 1pwh s PRO 88 N -1.82 3.09 0.41 1.54 0.04 -1.26 -1.16 135.00 135.84 1pwh s PRO 88 Ca 0.01 1.00 0.24 0.00 0.04 0.00 0.00 61.00 62.29 1pwh s PRO 88 Cb -0.10 -2.01 1.33 0.00 0.04 0.00 0.00 34.50 33.76 1pwh s PRO 88 CO 0.03 -0.98 1.73 0.66 0.04 0.00 0.00 177.00 178.48 1pwh h SER 89 N -0.39 0.00 0.82 6.66 4.64 -0.35 -0.76 113.55 124.17 1pwh h SER 89 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1pwh h SER 89 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1pwh h SER 89 CO 0.57 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.88 1pwh n THR 90 N -2.41 0.34 -2.45 2.95 -2.24 -1.26 -4.80 114.28 104.41 1pwh n THR 90 Ca -0.02 0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 1pwh n THR 90 Cb 0.13 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 1pwh n THR 90 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1pwh s THR 91 N -3.00 4.05 0.20 4.28 -1.32 -0.29 -4.97 115.64 114.59 1pwh s THR 91 Ca 0.12 1.52 -0.32 0.00 -1.21 0.00 0.00 61.69 61.79 1pwh s THR 91 Cb 0.16 -3.97 -0.14 0.00 -1.51 0.00 0.00 72.50 67.03 1pwh s THR 91 CO 0.44 0.14 1.41 -2.65 -2.21 0.00 0.00 174.62 171.75 1pwh n PRO 92 N 3.63 1.88 -0.31 7.08 -0.02 -1.26 -4.85 135.00 141.16 1pwh n PRO 92 Ca 0.08 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.32 1pwh n PRO 92 Cb 0.47 -2.33 0.31 0.00 -0.02 0.00 0.00 33.50 31.92 1pwh n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pwh h ALA 93 N 4.49 1.67 0.00 3.55 0.00 -1.94 0.16 119.26 127.19 1pwh h ALA 93 Ca -0.45 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1pwh h ALA 93 Cb 1.28 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1pwh h ALA 93 CO 0.78 0.10 -0.12 1.25 0.00 0.00 0.00 179.25 181.26 1pwh h LEU 94 N 0.85 0.00 0.08 0.00 7.12 -1.99 -0.98 115.31 120.39 1pwh h LEU 94 Ca 0.46 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 58.21 1pwh h LEU 94 Cb 0.56 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1pwh h LEU 94 CO -0.22 0.12 -1.18 0.74 -0.13 0.00 0.00 178.44 177.78 1pwh h THR 95 N 0.00 1.55 0.01 1.05 2.02 -1.05 -2.44 112.91 114.06 1pwh h THR 95 Ca -0.00 -3.18 -0.00 0.00 0.77 0.00 0.00 66.41 64.00 1pwh h THR 95 Cb 0.26 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1pwh h THR 95 CO 0.02 0.92 -0.01 0.40 0.37 0.00 0.00 175.52 177.21 1pwh h ILE 96 N 0.05 1.01 -0.77 3.11 1.08 -0.10 0.54 117.51 122.42 1pwh h ILE 96 Ca -0.10 -0.06 -0.05 0.00 -0.39 0.00 0.00 64.86 64.26 1pwh h ILE 96 Cb 1.90 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 36.67 1pwh h ILE 96 CO 0.17 0.02 0.29 -0.33 -0.69 0.00 0.00 178.15 177.61 1pwh h GLU 97 N -0.05 1.16 -0.56 2.37 4.39 -1.35 -1.70 114.58 118.85 1pwh h GLU 97 Ca -0.00 -0.22 0.06 0.00 0.34 0.00 0.00 59.36 59.54 1pwh h GLU 97 Cb 0.04 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.46 1pwh h GLU 97 CO 0.00 0.95 0.27 -0.09 -1.16 0.00 0.00 179.01 178.98 1pwh h ARG 98 N 1.12 0.49 0.05 2.33 9.65 -1.03 0.75 114.38 127.73 1pwh h ARG 98 Ca 0.25 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.12 1pwh h ARG 98 Cb 0.24 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1pwh h ARG 98 CO -0.02 0.33 -0.17 -0.07 2.80 0.00 0.00 179.97 182.84 1pwh h LEU 99 N 0.51 -0.47 -1.02 3.80 4.07 -0.37 -2.27 115.31 119.57 1pwh h LEU 99 Ca 0.25 0.06 0.10 0.00 0.08 0.00 0.00 57.88 58.38 1pwh h LEU 99 Cb 0.20 0.19 -0.08 0.00 1.08 0.00 0.00 40.66 42.05 1pwh h LEU 99 CO -0.19 -0.23 0.64 0.11 -1.08 0.00 0.00 178.44 177.68 1pwh h LYS 100 N -0.30 1.02 0.00 1.13 1.57 -0.42 -1.37 116.57 118.20 1pwh h LYS 100 Ca 0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1pwh h LYS 100 Cb 0.34 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1pwh h LYS 100 CO -0.13 0.67 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.47 1pwh h ASN 101 N 1.05 0.00 0.19 0.86 2.35 -0.30 0.24 115.58 119.97 1pwh h ASN 101 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1pwh h ASN 101 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1pwh h ASN 101 CO -0.24 0.05 0.00 -0.62 -1.65 0.00 0.00 177.43 174.98 1pwh n GLU 102 N -3.35 0.78 -0.36 0.81 -0.58 -0.52 -4.86 120.64 112.57 1pwh n GLU 102 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1pwh n GLU 102 Cb 0.20 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1pwh n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pwh n GLY 103 N 1.03 0.82 3.95 0.62 0.00 0.83 -4.70 105.19 107.73 1pwh n GLY 103 Ca 0.20 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1pwh n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwh s ALA 104 N -2.00 3.76 -0.13 4.61 0.00 -1.18 -4.70 121.76 122.13 1pwh s ALA 104 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 1pwh s ALA 104 Cb 0.00 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 1pwh s ALA 104 CO 0.00 -0.08 0.22 0.99 0.00 0.00 0.00 175.76 176.89 1pwh s THR 105 N -2.33 5.36 -0.07 0.00 2.01 -0.05 -4.11 115.64 116.45 1pwh s THR 105 Ca 0.42 0.39 0.02 0.00 0.31 0.00 0.00 61.69 62.82 1pwh s THR 105 Cb -0.10 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1pwh s THR 105 CO 0.36 0.52 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.03 1pwh s VAL 106 N -0.41 3.51 -0.21 3.82 1.01 -1.26 0.79 120.40 127.66 1pwh s VAL 106 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1pwh s VAL 106 Cb -0.13 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.88 1pwh s VAL 106 CO 0.04 0.59 -0.05 -0.70 0.00 0.00 0.00 175.10 174.98 1pwh s GLU 107 N -0.74 1.54 0.02 2.72 2.56 0.10 -4.94 118.70 119.96 1pwh s GLU 107 Ca 0.11 -0.78 -0.16 0.00 0.00 0.00 0.00 54.97 54.14 1pwh s GLU 107 Cb -0.11 -2.35 -0.06 0.00 2.00 0.00 0.00 34.13 33.61 1pwh s GLU 107 CO 0.01 -0.53 0.46 0.08 -0.56 0.00 0.00 175.26 174.72 1pwh s VAL 108 N 1.51 4.94 -0.29 3.70 1.01 -1.26 -0.88 120.40 129.13 1pwh s VAL 108 Ca -0.03 0.95 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1pwh s VAL 108 Cb -0.17 -3.77 0.19 0.00 0.00 0.00 0.00 36.38 32.63 1pwh s VAL 108 CO -0.07 0.57 0.53 0.54 0.00 0.00 0.00 175.10 176.67 1pwh s VAL 109 N -1.09 -0.88 0.31 2.92 0.11 -0.31 -4.93 120.40 116.52 1pwh s VAL 109 Ca 0.25 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1pwh s VAL 109 Cb -0.17 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1pwh s VAL 109 CO 0.15 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 1pwh n GLY 110 N 5.40 -1.73 0.12 6.54 0.00 -1.26 -4.43 105.19 109.82 1pwh n GLY 110 Ca 0.03 -0.97 0.10 0.00 0.00 0.00 0.00 46.02 45.18 1pwh n GLY 110 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pwh n GLU 111 N -3.79 0.34 -3.09 1.61 0.28 -1.26 0.32 120.64 115.05 1pwh n GLU 111 Ca 0.00 -0.24 -0.40 0.00 -0.16 0.00 0.00 57.16 56.36 1pwh n GLU 111 Cb 0.65 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.97 1pwh n GLU 111 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1pwh s MET 112 N -2.86 4.20 0.54 3.44 -1.94 -1.26 -4.85 119.30 116.58 1pwh s MET 112 Ca 0.10 0.65 0.27 0.00 -1.71 0.00 0.00 55.69 55.00 1pwh s MET 112 Cb 0.16 -3.59 1.44 0.00 2.01 0.00 0.00 34.83 34.85 1pwh s MET 112 CO 0.79 -0.28 1.97 1.25 -0.01 0.00 0.00 175.02 178.75 1pwh h LEU 113 N 8.33 0.00 -1.08 -0.03 6.46 -1.91 0.24 115.31 127.32 1pwh h LEU 113 Ca -0.30 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1pwh h LEU 113 Cb 1.14 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.03 1pwh h LEU 113 CO 0.78 0.00 0.47 0.44 -0.62 0.00 0.00 178.44 179.51 1pwh h ASP 114 N 0.00 0.98 -0.11 1.25 3.32 -1.95 -0.48 116.42 119.43 1pwh h ASP 114 Ca 0.27 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 1pwh h ASP 114 Cb 1.13 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1pwh h ASP 114 CO -0.00 0.77 -0.29 -0.08 -1.72 0.00 0.00 179.24 177.92 1pwh h GLU 115 N 1.12 0.58 -0.16 3.56 4.81 -1.28 0.14 114.58 123.35 1pwh h GLU 115 Ca 0.29 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1pwh h GLU 115 Cb -0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1pwh h GLU 115 CO -0.05 0.80 -0.50 0.00 -0.73 0.00 0.00 179.01 178.53 1pwh h ALA 116 N 1.19 0.85 -0.17 2.92 0.00 -1.31 -1.19 119.26 121.55 1pwh h ALA 116 Ca 0.06 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1pwh h ALA 116 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1pwh h ALA 116 CO 0.06 0.67 -0.31 0.82 0.00 0.00 0.00 179.25 180.49 1pwh h ILE 117 N 0.33 1.35 -0.21 0.00 2.04 -0.74 -1.94 117.51 118.33 1pwh h ILE 117 Ca 0.01 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.37 1pwh h ILE 117 Cb 0.99 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 1pwh h ILE 117 CO 0.09 0.47 -0.02 -0.61 0.00 0.00 0.00 178.15 178.07 1pwh h GLN 118 N 0.16 0.03 -0.31 2.37 4.15 -0.61 -0.42 115.11 120.48 1pwh h GLN 118 Ca 0.01 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1pwh h GLN 118 Cb 0.90 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1pwh h GLN 118 CO 0.07 0.02 0.12 1.25 -1.93 0.00 0.00 178.83 178.36 1pwh h LEU 119 N 0.04 0.44 -1.24 -2.39 5.85 -1.23 -0.93 115.31 115.85 1pwh h LEU 119 Ca 0.10 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1pwh h LEU 119 Cb 0.14 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1pwh h LEU 119 CO -0.19 0.50 0.53 0.00 -0.34 0.00 0.00 178.44 178.94 1pwh h ALA 120 N 0.96 1.52 0.01 1.25 0.00 -1.08 -0.09 119.26 121.84 1pwh h ALA 120 Ca 0.10 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 1pwh h ALA 120 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1pwh h ALA 120 CO -0.01 0.39 -0.92 0.87 0.00 0.00 0.00 179.25 179.59 1pwh h LYS 121 N 0.98 0.22 -0.39 0.00 1.57 -0.89 -2.25 116.57 115.82 1pwh h LYS 121 Ca 0.32 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1pwh h LYS 121 Cb 0.06 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1pwh h LYS 121 CO -0.10 0.99 -0.00 0.00 -0.57 0.00 0.00 179.45 179.77 1pwh h ALA 122 N 0.92 1.28 -0.32 3.86 0.00 -0.25 0.57 119.26 125.32 1pwh h ALA 122 Ca -0.05 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1pwh h ALA 122 Cb 1.56 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1pwh h ALA 122 CO 0.14 0.49 -0.34 -0.07 0.00 0.00 0.00 179.25 179.47 1pwh h LEU 123 N 0.58 0.85 -0.98 0.00 3.38 -0.94 -1.18 115.31 117.02 1pwh h LEU 123 Ca 0.12 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1pwh h LEU 123 Cb 0.37 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1pwh h LEU 123 CO 0.01 1.15 0.05 -0.08 0.09 0.00 0.00 178.44 179.67 1pwh h GLU 124 N 0.56 0.79 0.00 1.13 4.81 -0.79 -2.51 114.58 118.57 1pwh h GLU 124 Ca 0.05 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 58.98 1pwh h GLU 124 Cb 0.92 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1pwh h GLU 124 CO 0.08 0.76 -0.50 -0.22 -0.73 0.00 0.00 179.01 178.41 1pwh h LYS 125 N 0.75 0.00 -0.34 1.92 3.64 -0.76 -3.32 116.57 118.46 1pwh h LYS 125 Ca 0.16 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 1pwh h LYS 125 Cb 0.38 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 1pwh h LYS 125 CO 0.01 0.50 -0.02 0.09 -2.27 0.00 0.00 179.45 177.76 1pwh n ASN 126 N -3.41 2.95 -3.31 4.20 3.02 -0.46 -4.89 115.26 113.37 1pwh n ASN 126 Ca 0.01 -3.52 -0.08 0.00 -0.03 0.00 0.00 54.58 50.95 1pwh n ASN 126 Cb 0.64 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 1pwh n ASN 126 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1pwh s ASN 127 N -2.31 0.22 0.14 6.41 0.01 -0.97 -5.00 114.94 113.44 1pwh s ASN 127 Ca 0.44 -0.13 -0.35 0.00 -0.71 0.00 0.00 52.86 52.11 1pwh s ASN 127 Cb 0.39 1.18 -0.15 0.00 0.41 0.00 0.00 41.25 43.07 1pwh s ASN 127 CO 0.03 -0.33 1.47 -2.65 -1.51 0.00 0.00 177.10 174.11 1pwh n PRO 128 N 5.36 1.78 0.00 -0.60 -0.02 -1.26 -1.41 135.00 138.85 1pwh n PRO 128 Ca -0.01 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1pwh n PRO 128 Cb 0.50 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1pwh n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pwh n GLY 129 N 2.97 3.05 3.74 -1.23 0.00 -1.26 -4.88 105.19 107.58 1pwh n GLY 129 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1pwh n GLY 129 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pwh s TRP 130 N -2.50 3.73 -0.07 1.61 0.52 -0.50 -0.08 118.94 121.65 1pwh s TRP 130 Ca 0.00 1.72 0.04 0.00 0.02 0.00 0.00 56.10 57.88 1pwh s TRP 130 Cb 0.00 -3.16 0.00 0.00 -1.15 0.00 0.00 33.47 29.17 1pwh s TRP 130 CO 0.00 -0.17 -0.19 0.08 0.02 0.00 0.00 176.95 176.69 1pwh s VAL 131 N -0.37 1.65 0.02 4.03 1.01 -0.11 -4.77 120.40 121.86 1pwh s VAL 131 Ca 0.47 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 1pwh s VAL 131 Cb -0.27 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1pwh s VAL 131 CO 0.33 0.47 0.86 -0.47 0.00 0.00 0.00 175.10 176.29 1pwh s TYR 132 N 0.31 3.70 -0.33 5.22 6.14 -1.26 -1.17 117.35 129.96 1pwh s TYR 132 Ca -0.13 1.57 -0.03 0.00 0.64 0.00 0.00 57.07 59.13 1pwh s TYR 132 Cb -0.15 -2.96 0.06 0.00 0.42 0.00 0.00 41.96 39.33 1pwh s TYR 132 CO 0.05 0.14 0.06 0.42 0.64 0.00 0.00 175.55 176.86 1pwh s ILE 133 N 0.45 3.17 0.55 3.14 -1.09 0.11 -4.93 121.20 122.60 1pwh s ILE 133 Ca 0.44 -1.50 -0.20 0.00 -2.23 0.00 0.00 60.65 57.16 1pwh s ILE 133 Cb -0.21 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.72 1pwh s ILE 133 CO 0.25 -0.25 1.19 -0.55 -1.23 0.00 0.00 174.94 174.35 1pwh s SER 134 N 1.40 5.51 0.35 3.58 0.15 -1.26 -4.05 113.70 119.37 1pwh s SER 134 Ca -0.02 2.35 0.27 0.00 0.70 0.00 0.00 55.95 59.25 1pwh s SER 134 Cb -0.20 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.44 1pwh s SER 134 CO -0.01 -1.37 1.78 -0.65 1.20 0.00 0.00 173.24 174.19 1pwh h PRO 135 N 1.21 0.00 0.00 5.44 0.11 -1.98 -3.43 132.00 133.35 1pwh h PRO 135 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pwh h PRO 135 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1pwh h PRO 135 CO 0.57 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.33 1pwh n PHE 136 N -2.61 -0.70 -3.60 0.65 1.16 -1.26 -4.91 117.46 106.19 1pwh n PHE 136 Ca 0.03 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.20 1pwh n PHE 136 Cb 0.35 0.20 -0.11 0.00 -1.61 0.00 0.00 39.48 38.30 1pwh n PHE 136 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1pwh s ASP 137 N -2.07 5.73 -0.30 5.98 3.84 -1.26 -4.36 116.67 124.24 1pwh s ASP 137 Ca 0.00 -1.02 -0.16 0.00 -0.00 0.00 0.00 52.55 51.37 1pwh s ASP 137 Cb 0.00 -2.02 0.16 0.00 -1.38 0.00 0.00 42.92 39.68 1pwh s ASP 137 CO 0.00 -0.39 1.03 -0.62 -0.00 0.00 0.00 175.17 175.18 1pwh s ASP 138 N 1.56 -0.48 0.57 2.11 3.68 -1.26 -4.89 116.67 117.97 1pwh s ASP 138 Ca 0.02 0.69 0.34 0.00 2.13 0.00 0.00 52.55 55.73 1pwh s ASP 138 Cb -0.19 1.41 1.43 0.00 -1.45 0.00 0.00 42.92 44.12 1pwh s ASP 138 CO 0.07 -0.10 1.72 1.55 0.13 0.00 0.00 175.17 178.53 1pwh h PRO 139 N 6.79 0.00 -0.57 4.34 0.13 -2.00 0.23 132.00 140.92 1pwh h PRO 139 Ca -0.21 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.85 1pwh h PRO 139 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1pwh h PRO 139 CO 0.13 0.00 0.07 -0.07 -0.23 0.00 0.00 178.00 177.90 1pwh h LEU 140 N 0.00 0.93 0.22 1.56 -0.00 -1.96 0.61 115.31 116.67 1pwh h LEU 140 Ca 0.48 -0.27 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1pwh h LEU 140 Cb 2.21 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 42.61 1pwh h LEU 140 CO -0.01 0.97 -0.21 0.40 -0.00 0.00 0.00 178.44 179.60 1pwh h ILE 141 N 0.86 0.55 -0.25 1.22 1.08 -0.71 -1.00 117.51 119.25 1pwh h ILE 141 Ca 0.17 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.68 1pwh h ILE 141 Cb 0.45 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 1pwh h ILE 141 CO 0.02 0.00 0.05 -0.50 -0.69 0.00 0.00 178.15 177.03 1pwh h TRP 142 N -0.45 0.08 -0.66 1.37 6.55 -1.31 -1.63 115.95 119.90 1pwh h TRP 142 Ca -0.01 0.02 0.13 0.00 0.95 0.00 0.00 58.89 59.98 1pwh h TRP 142 Cb 0.42 0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 28.62 1pwh h TRP 142 CO -0.14 0.02 0.13 1.49 -1.05 0.00 0.00 178.44 178.89 1pwh h GLU 143 N 0.15 0.24 -0.13 0.49 4.57 -0.63 -1.61 114.58 117.66 1pwh h GLU 143 Ca 0.12 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1pwh h GLU 143 Cb 0.12 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1pwh h GLU 143 CO -0.15 0.16 0.07 0.78 -1.18 0.00 0.00 179.01 178.69 1pwh h GLY 144 N 0.25 0.19 1.53 1.92 0.00 -0.54 -2.56 103.07 103.87 1pwh h GLY 144 Ca 0.35 -0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.65 1pwh h GLY 144 CO -0.46 0.08 0.18 0.45 0.00 0.00 0.00 176.54 176.80 1pwh h HIS 145 N 0.11 0.00 -1.05 5.60 3.86 -0.56 -2.15 115.15 120.96 1pwh h HIS 145 Ca 0.05 0.00 0.28 0.00 -1.16 0.00 0.00 60.37 59.54 1pwh h HIS 145 Cb 0.07 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.48 1pwh h HIS 145 CO -0.04 0.00 0.72 1.15 0.86 0.00 0.00 177.93 180.61 1pwh h THR 146 N 0.00 0.50 -0.91 2.45 2.02 -0.88 -1.00 112.91 115.09 1pwh h THR 146 Ca 0.09 -0.07 0.19 0.00 0.77 0.00 0.00 66.41 67.39 1pwh h THR 146 Cb 0.45 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.07 1pwh h THR 146 CO -0.00 0.04 0.60 0.77 0.37 0.00 0.00 175.52 177.29 1pwh h SER 147 N 0.21 0.50 -0.65 4.18 4.64 -1.54 -1.54 113.55 119.36 1pwh h SER 147 Ca 0.55 0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.99 1pwh h SER 147 Cb 1.75 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 63.73 1pwh h SER 147 CO -0.15 0.21 0.34 0.25 -0.87 0.00 0.00 176.83 176.60 1pwh h LEU 148 N 0.51 0.47 -0.43 5.97 6.46 -1.41 -1.26 115.31 125.62 1pwh h LEU 148 Ca 0.48 0.04 -0.18 0.00 -0.12 0.00 0.00 57.88 58.10 1pwh h LEU 148 Cb 1.05 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1pwh h LEU 148 CO -0.21 0.30 -0.70 0.58 -0.62 0.00 0.00 178.44 177.79 1pwh h VAL 149 N 0.61 1.37 -0.92 1.05 2.07 -1.47 -2.64 116.25 116.32 1pwh h VAL 149 Ca 0.30 -2.08 0.01 0.00 0.82 0.00 0.00 66.70 65.76 1pwh h VAL 149 Cb 0.24 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 1pwh h VAL 149 CO -0.21 0.63 0.61 0.11 0.02 0.00 0.00 177.57 178.73 1pwh h LYS 150 N 0.29 1.20 -0.20 1.57 1.57 -1.06 -0.30 116.57 119.64 1pwh h LYS 150 Ca -0.02 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1pwh h LYS 150 Cb 1.27 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1pwh h LYS 150 CO 0.12 0.79 -0.23 0.93 -0.57 0.00 0.00 179.45 180.50 1pwh h GLU 151 N 1.23 0.36 -0.30 3.15 5.08 -1.07 -2.15 114.58 120.89 1pwh h GLU 151 Ca 0.34 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.40 1pwh h GLU 151 Cb -0.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1pwh h GLU 151 CO -0.08 0.58 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.90 1pwh h LEU 152 N 0.33 0.98 -0.81 1.33 3.38 -0.90 -2.45 115.31 117.16 1pwh h LEU 152 Ca 0.05 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1pwh h LEU 152 Cb 0.58 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1pwh h LEU 152 CO 0.04 1.32 0.49 0.50 0.09 0.00 0.00 178.44 180.88 1pwh h LYS 153 N 0.68 1.10 0.00 1.13 1.63 -0.79 0.13 116.57 120.45 1pwh h LYS 153 Ca 0.02 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1pwh h LYS 153 Cb 1.15 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1pwh h LYS 153 CO 0.12 0.78 -0.11 1.05 -3.45 0.00 0.00 179.45 177.84 1pwh h GLU 154 N 1.11 0.00 0.04 1.90 4.11 -1.37 -3.36 114.58 117.02 1pwh h GLU 154 Ca 0.29 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.34 1pwh h GLU 154 Cb -0.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1pwh h GLU 154 CO -0.05 0.00 -2.31 2.41 0.07 0.00 0.00 179.01 179.13 1pwh n THR 155 N -2.65 1.59 -2.49 -1.06 -1.04 -0.93 -4.97 114.28 102.73 1pwh n THR 155 Ca 0.04 -0.61 -0.37 0.00 -2.04 0.00 0.00 64.05 61.08 1pwh n THR 155 Cb 0.48 -1.51 -0.04 0.00 -1.82 0.00 0.00 70.33 67.45 1pwh n THR 155 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1pwh s LEU 156 N -6.68 4.16 0.13 -4.42 1.43 0.40 -4.97 118.68 108.74 1pwh s LEU 156 Ca -0.30 2.10 0.05 0.00 -1.03 0.00 0.00 54.13 54.95 1pwh s LEU 156 Cb 0.08 -4.14 -0.16 0.00 0.03 0.00 0.00 46.19 42.00 1pwh s LEU 156 CO 0.66 -0.52 1.29 0.28 0.23 0.00 0.00 176.35 178.29 1pwh h SER 157 N 2.56 0.09 -5.32 2.29 0.02 -1.90 -3.47 113.55 107.84 1pwh h SER 157 Ca -0.48 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.23 1pwh h SER 157 Cb 1.22 -0.03 -0.15 0.00 0.14 0.00 0.00 62.40 63.58 1pwh h SER 157 CO 0.62 1.03 -0.60 0.00 -1.14 0.00 0.00 176.83 176.75 1pwh s ALA 158 N -2.81 0.55 0.34 3.77 0.00 -1.26 -5.13 121.76 117.21 1pwh s ALA 158 Ca -0.00 -1.24 -0.28 0.00 0.00 0.00 0.00 51.96 50.44 1pwh s ALA 158 Cb 0.10 0.61 -0.09 0.00 0.00 0.00 0.00 23.12 23.73 1pwh s ALA 158 CO 0.83 -0.46 1.21 -1.59 0.00 0.00 0.00 175.76 175.75 1pwh s LYS 159 N -3.97 4.34 0.90 0.00 -2.85 -1.26 -4.99 119.74 111.90 1pwh s LYS 159 Ca 0.15 1.99 -0.11 0.00 -1.00 0.00 0.00 55.97 57.00 1pwh s LYS 159 Cb 0.07 -2.98 0.13 0.00 -2.06 0.00 0.00 37.83 32.99 1pwh s LYS 159 CO -0.04 -0.12 1.09 -1.25 0.10 0.00 0.00 175.35 175.13 1pwh s PRO 160 N -1.86 1.22 0.26 1.78 0.04 -1.26 -4.87 135.00 130.32 1pwh s PRO 160 Ca 0.50 0.97 0.13 0.00 0.04 0.00 0.00 61.00 62.65 1pwh s PRO 160 Cb -0.35 -1.79 0.21 0.00 0.04 0.00 0.00 34.50 32.61 1pwh s PRO 160 CO 0.45 -2.31 1.51 0.78 0.04 0.00 0.00 177.00 177.48 1pwh h GLY 161 N -1.60 0.00 -3.05 0.56 0.00 -0.93 -3.46 103.07 94.58 1pwh h GLY 161 Ca -0.49 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.13 1pwh h GLY 161 CO 0.52 0.00 0.79 0.00 0.00 0.00 0.00 176.54 177.85 1pwh s ALA 162 N -3.18 -2.13 -0.06 3.60 0.00 -1.26 -4.20 121.76 114.54 1pwh s ALA 162 Ca 0.01 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1pwh s ALA 162 Cb 0.10 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.48 1pwh s ALA 162 CO 0.75 -0.91 -0.07 0.96 0.00 0.00 0.00 175.76 176.50 1pwh s ILE 163 N -2.51 0.74 -0.08 0.00 -5.25 -0.89 -0.84 121.20 112.37 1pwh s ILE 163 Ca 0.12 -0.22 -0.10 0.00 -0.99 0.00 0.00 60.65 59.46 1pwh s ILE 163 Cb 0.02 -0.74 -0.05 0.00 2.95 0.00 0.00 42.46 44.65 1pwh s ILE 163 CO -0.04 0.28 0.24 -0.69 -1.79 0.00 0.00 174.94 172.94 1pwh s VAL 164 N 0.98 5.33 0.02 8.37 1.01 0.14 -1.48 120.40 134.78 1pwh s VAL 164 Ca -0.10 0.45 -0.28 0.00 0.00 0.00 0.00 61.98 62.05 1pwh s VAL 164 Cb -0.14 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1pwh s VAL 164 CO 0.00 0.60 0.68 -1.48 0.00 0.00 0.00 175.10 174.90 1pwh s LEU 165 N -1.04 -0.60 0.26 3.92 0.05 -0.86 -1.16 118.68 119.26 1pwh s LEU 165 Ca 0.18 0.40 0.02 0.00 0.05 0.00 0.00 54.13 54.79 1pwh s LEU 165 Cb -0.14 2.50 -0.03 0.00 -2.05 0.00 0.00 46.19 46.47 1pwh s LEU 165 CO 0.07 -0.73 0.43 -0.94 -0.55 0.00 0.00 176.35 174.63 1pwh s SER 166 N -1.82 6.32 -0.07 1.48 1.04 -1.26 0.07 113.70 119.47 1pwh s SER 166 Ca -0.05 0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.69 1pwh s SER 166 Cb -0.00 -1.95 -0.01 0.00 0.10 0.00 0.00 66.02 64.16 1pwh s SER 166 CO 0.00 -0.14 -0.24 -0.69 0.98 0.00 0.00 173.24 173.16 1pwh s VAL 167 N -2.06 2.15 0.00 5.02 1.01 -0.40 -4.77 120.40 121.34 1pwh s VAL 167 Ca 0.37 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1pwh s VAL 167 Cb -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1pwh s VAL 167 CO 0.31 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.59 1pwh n GLY 168 N 3.07 0.03 0.00 4.51 0.00 -1.26 -4.78 105.19 106.77 1pwh n GLY 168 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1pwh n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwh n GLY 169 N 3.31 -0.51 0.00 -0.02 0.00 -1.26 -4.21 105.19 102.51 1pwh n GLY 169 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1pwh n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwh n GLY 170 N 1.69 0.78 0.13 -0.02 0.00 -1.26 -1.71 105.19 104.79 1pwh n GLY 170 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1pwh n GLY 170 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pwh h GLY 171 N 0.00 0.22 1.01 -0.02 0.00 -1.93 0.43 103.07 102.78 1pwh h GLY 171 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 1pwh h GLY 171 CO 0.00 -0.10 0.22 -2.00 0.00 0.00 0.00 176.54 174.66 1pwh h LEU 172 N 0.02 0.88 -0.29 3.11 5.85 -1.90 -0.99 115.31 121.98 1pwh h LEU 172 Ca 0.14 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1pwh h LEU 172 Cb 0.20 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1pwh h LEU 172 CO -0.27 0.83 0.19 0.25 -0.34 0.00 0.00 178.44 179.10 1pwh h LEU 173 N 0.87 0.33 -0.90 2.25 6.46 -1.60 -0.65 115.31 122.07 1pwh h LEU 173 Ca 0.20 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 1pwh h LEU 173 Cb 0.25 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 1pwh h LEU 173 CO -0.01 0.24 0.22 0.00 -0.62 0.00 0.00 178.44 178.27 1pwh h GLY 175 N 1.07 0.00 1.22 0.00 0.00 -0.86 -2.29 103.07 102.21 1pwh h GLY 175 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.21 1pwh h GLY 175 CO -0.01 0.00 -1.53 -2.08 0.00 0.00 0.00 176.54 172.92 1pwh h VAL 176 N 0.00 1.23 -0.15 4.60 2.07 -0.49 -2.32 116.25 121.18 1pwh h VAL 176 Ca -0.00 -2.69 -0.14 0.00 0.82 0.00 0.00 66.70 64.69 1pwh h VAL 176 Cb 0.65 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 1pwh h VAL 176 CO 0.04 0.82 -0.52 -0.37 0.02 0.00 0.00 177.57 177.57 1pwh h VAL 177 N 0.14 1.33 -0.35 2.57 -1.51 -1.35 0.11 116.25 117.18 1pwh h VAL 177 Ca -0.27 -1.76 -0.04 0.00 -1.23 0.00 0.00 66.70 63.40 1pwh h VAL 177 Cb 2.15 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 33.08 1pwh h VAL 177 CO 0.25 0.54 0.07 -0.61 -1.23 0.00 0.00 177.57 176.59 1pwh h GLN 178 N 0.32 0.58 -0.48 5.19 4.15 -1.49 -1.79 115.11 121.59 1pwh h GLN 178 Ca 0.01 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.21 1pwh h GLN 178 Cb 1.02 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 1pwh h GLN 178 CO 0.09 0.65 0.05 0.78 -1.93 0.00 0.00 178.83 178.46 1pwh h GLY 179 N 0.42 0.87 0.95 2.39 0.00 -1.22 -1.90 103.07 104.59 1pwh h GLY 179 Ca 0.11 -0.61 0.10 0.00 0.00 0.00 0.00 47.33 46.93 1pwh h GLY 179 CO 0.01 0.56 0.45 1.41 0.00 0.00 0.00 176.54 178.96 1pwh h LEU 180 N 0.67 0.46 0.18 3.11 4.07 -0.67 -1.91 115.31 121.22 1pwh h LEU 180 Ca 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1pwh h LEU 180 Cb 0.44 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1pwh h LEU 180 CO 0.02 0.27 -0.09 0.03 -1.08 0.00 0.00 178.44 177.59 1pwh h ARG 181 N 0.51 -0.24 0.00 1.13 3.08 -0.80 0.27 114.38 118.33 1pwh h ARG 181 Ca 0.31 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1pwh h ARG 181 Cb 0.54 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1pwh h ARG 181 CO -0.10 0.17 0.00 -0.85 -1.07 0.00 0.00 179.97 178.12 1pwh n GLU 182 N -4.95 0.53 -0.00 0.04 0.28 -0.76 -2.15 120.64 113.63 1pwh n GLU 182 Ca -0.08 0.01 0.06 0.00 -0.16 0.00 0.00 57.16 56.99 1pwh n GLU 182 Cb 0.26 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.56 1pwh n GLU 182 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1pwh n VAL 183 N -1.02 0.00 -0.45 3.84 0.31 -0.73 -5.01 118.33 115.26 1pwh n VAL 183 Ca 0.13 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1pwh n VAL 183 Cb 0.07 0.88 0.00 0.00 -0.91 0.00 0.00 33.84 33.87 1pwh n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pwh n GLY 184 N 1.37 0.75 1.99 2.92 0.00 -0.91 -4.97 105.19 106.32 1pwh n GLY 184 Ca 0.02 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 1pwh n GLY 184 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pwh n TRP 185 N -2.45 2.65 0.67 1.61 8.01 0.92 -4.75 117.44 124.09 1pwh n TRP 185 Ca 0.00 -2.38 0.06 0.00 -1.31 0.00 0.00 57.50 53.87 1pwh n TRP 185 Cb 0.00 -0.71 0.32 0.00 -2.01 0.00 0.00 31.31 28.92 1pwh n TRP 185 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.69 175.83 1pwh n GLU 186 N -0.84 0.31 -0.01 -0.99 0.00 -1.14 -1.72 120.64 116.26 1pwh n GLU 186 Ca 0.48 0.04 0.10 0.00 0.00 0.00 0.00 57.16 57.79 1pwh n GLU 186 Cb 0.89 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.92 1pwh n GLU 186 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1pwh n ASP 187 N -1.07 2.70 -4.65 -1.84 3.85 -1.26 -4.73 116.55 109.55 1pwh n ASP 187 Ca 0.08 -1.84 -0.43 0.00 -0.71 0.00 0.00 54.79 51.89 1pwh n ASP 187 Cb 0.05 -0.01 -0.02 0.00 -1.35 0.00 0.00 41.12 39.79 1pwh n ASP 187 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pwh s VAL 188 N -1.66 4.56 0.61 2.12 1.01 -0.70 -4.99 120.40 121.34 1pwh s VAL 188 Ca 0.24 1.83 -0.17 0.00 0.00 0.00 0.00 61.98 63.88 1pwh s VAL 188 Cb 0.17 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1pwh s VAL 188 CO 0.25 -0.35 1.12 -2.16 0.00 0.00 0.00 175.10 173.96 1pwh s PRO 189 N 3.49 3.05 -0.07 2.72 0.04 -1.26 -4.79 135.00 138.18 1pwh s PRO 189 Ca 0.46 1.50 0.02 0.00 0.04 0.00 0.00 61.00 63.02 1pwh s PRO 189 Cb -0.14 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1pwh s PRO 189 CO 0.12 -1.07 -0.13 0.42 0.04 0.00 0.00 177.00 176.38 1pwh s ILE 190 N -2.06 3.11 -0.42 0.56 1.01 0.18 -2.10 121.20 121.48 1pwh s ILE 190 Ca 0.70 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 1pwh s ILE 190 Cb -0.22 -2.24 0.11 0.00 0.01 0.00 0.00 42.46 40.11 1pwh s ILE 190 CO 0.35 0.58 0.23 -0.63 0.00 0.00 0.00 174.94 175.47 1pwh s ILE 191 N -0.47 3.54 -0.21 2.92 1.01 -0.55 0.62 121.20 128.06 1pwh s ILE 191 Ca 0.06 -1.94 -0.24 0.00 0.00 0.00 0.00 60.65 58.53 1pwh s ILE 191 Cb -0.12 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 1pwh s ILE 191 CO 0.02 -0.69 0.81 0.00 0.00 0.00 0.00 174.94 175.08 1pwh s ALA 192 N 1.21 3.59 -0.07 9.38 0.00 0.15 -2.02 121.76 134.01 1pwh s ALA 192 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.96 1pwh s ALA 192 Cb -0.24 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1pwh s ALA 192 CO -0.03 -0.79 -0.11 -1.64 0.00 0.00 0.00 175.76 173.18 1pwh s MET 193 N 2.51 2.71 0.09 0.00 -1.94 0.11 -0.64 119.30 122.13 1pwh s MET 193 Ca 0.35 -0.64 -0.15 0.00 -1.71 0.00 0.00 55.69 53.54 1pwh s MET 193 Cb -0.16 -2.49 0.03 0.00 2.01 0.00 0.00 34.83 34.22 1pwh s MET 193 CO 0.09 0.58 0.36 -1.83 -0.01 0.00 0.00 175.02 174.22 1pwh s GLU 194 N -0.61 0.96 0.34 2.03 -1.05 -0.96 -1.28 118.70 118.12 1pwh s GLU 194 Ca 0.09 -0.62 -0.10 0.00 -0.15 0.00 0.00 54.97 54.19 1pwh s GLU 194 Cb -0.11 0.42 -0.07 0.00 -0.44 0.00 0.00 34.13 33.93 1pwh s GLU 194 CO 0.01 -0.35 0.68 0.95 0.95 0.00 0.00 175.26 177.51 1pwh s THR 195 N -3.27 4.84 0.11 1.83 -4.23 -1.25 -0.54 115.64 113.12 1pwh s THR 195 Ca -0.00 0.54 -0.31 0.00 -1.18 0.00 0.00 61.69 60.74 1pwh s THR 195 Cb 0.01 -3.69 -0.07 0.00 1.34 0.00 0.00 72.50 70.09 1pwh s THR 195 CO -0.08 -0.34 1.26 0.12 -0.54 0.00 0.00 174.62 175.04 1pwh s PHE 196 N -2.15 3.37 0.00 3.99 2.19 0.26 -2.11 117.98 123.54 1pwh s PHE 196 Ca 0.50 1.23 0.00 0.00 0.33 0.00 0.00 56.93 58.98 1pwh s PHE 196 Cb -0.10 -3.50 0.00 0.00 -1.31 0.00 0.00 43.02 38.10 1pwh s PHE 196 CO 0.27 -1.60 0.00 0.41 1.83 0.00 0.00 175.22 176.13 1pwh n GLY 197 N 3.04 0.88 2.13 13.12 0.00 -1.26 -4.37 105.19 118.73 1pwh n GLY 197 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1pwh n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwh n ALA 198 N -0.82 2.82 -1.80 4.61 0.00 -0.90 -0.36 120.51 124.06 1pwh n ALA 198 Ca 0.00 -1.85 -0.36 0.00 0.00 0.00 0.00 53.44 51.23 1pwh n ALA 198 Cb 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 18.72 1pwh n ALA 198 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1pwh n HIS 199 N -0.45 2.49 0.22 0.00 1.44 -1.11 -4.53 115.22 113.29 1pwh n HIS 199 Ca -0.06 -2.21 0.06 0.00 -2.01 0.00 0.00 57.72 53.51 1pwh n HIS 199 Cb 0.89 -1.27 0.49 0.00 0.12 0.00 0.00 29.99 30.22 1pwh n HIS 199 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1pwh h SER 200 N 3.07 0.00 0.05 4.39 4.64 -1.87 -1.24 113.55 122.59 1pwh h SER 200 Ca 0.51 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.61 1pwh h SER 200 Cb 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1pwh h SER 200 CO 1.24 0.25 -0.85 0.15 -0.87 0.00 0.00 176.83 176.75 1pwh h PHE 201 N 0.00 0.88 -0.29 4.77 -0.00 -1.88 -2.58 116.94 117.84 1pwh h PHE 201 Ca -0.00 -0.42 -0.12 0.00 -0.00 0.00 0.00 57.97 57.42 1pwh h PHE 201 Cb 0.50 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 36.31 1pwh h PHE 201 CO 0.00 1.24 -0.33 1.25 -0.00 0.00 0.00 178.31 180.46 1pwh h HIS 202 N 0.40 0.73 -0.31 0.41 2.76 -1.86 -2.05 115.15 115.24 1pwh h HIS 202 Ca -0.07 -0.19 -0.06 0.00 -2.20 0.00 0.00 60.37 57.85 1pwh h HIS 202 Cb 1.48 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.26 1pwh h HIS 202 CO 0.08 0.88 -0.03 0.00 -1.30 0.00 0.00 177.93 177.55 1pwh h ALA 203 N 1.10 0.42 -0.00 5.26 0.00 -1.26 -1.42 119.26 123.36 1pwh h ALA 203 Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1pwh h ALA 203 Cb 0.83 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1pwh h ALA 203 CO 0.07 0.21 -0.07 0.00 0.00 0.00 0.00 179.25 179.46 1pwh h ALA 204 N 0.82 -0.07 -0.40 0.00 0.00 -1.30 -1.61 119.26 116.70 1pwh h ALA 204 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pwh h ALA 204 Cb 0.49 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1pwh h ALA 204 CO 0.02 -0.56 0.27 0.28 0.00 0.00 0.00 179.25 179.26 1pwh h VAL 205 N -0.12 1.10 -0.68 0.00 2.07 -1.37 0.87 116.25 118.11 1pwh h VAL 205 Ca 0.03 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1pwh h VAL 205 Cb 0.16 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1pwh h VAL 205 CO -0.07 0.10 0.41 0.50 0.02 0.00 0.00 177.57 178.53 1pwh h LYS 206 N 0.55 0.92 -0.01 1.57 1.63 -1.02 -2.94 116.57 117.27 1pwh h LYS 206 Ca 0.15 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1pwh h LYS 206 Cb -0.06 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.37 1pwh h LYS 206 CO -0.03 0.65 -0.40 0.39 -3.45 0.00 0.00 179.45 176.60 1pwh n GLU 207 N -4.40 1.03 -0.62 1.90 1.02 -0.63 -4.97 120.64 113.97 1pwh n GLU 207 Ca 0.07 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 1pwh n GLU 207 Cb 0.07 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1pwh n GLU 207 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pwh n GLY 208 N 1.39 1.59 3.12 0.62 0.00 0.28 -4.97 105.19 107.21 1pwh n GLY 208 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1pwh n GLY 208 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pwh s LYS 209 N -0.05 0.57 0.17 1.61 0.00 -1.07 -5.00 119.74 115.98 1pwh s LYS 209 Ca 0.00 -0.66 -0.31 0.00 0.00 0.00 0.00 55.97 55.01 1pwh s LYS 209 Cb 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 37.83 37.97 1pwh s LYS 209 CO 0.00 -0.14 1.40 -0.48 0.00 0.00 0.00 175.35 176.13 1pwh s LEU 210 N -1.93 4.39 0.35 2.77 2.34 -1.26 -4.31 118.68 121.03 1pwh s LEU 210 Ca -0.08 2.46 0.09 0.00 0.06 0.00 0.00 54.13 56.66 1pwh s LEU 210 Cb -0.03 -3.60 -0.06 0.00 -0.56 0.00 0.00 46.19 41.94 1pwh s LEU 210 CO -0.03 -0.65 -0.03 0.68 -1.06 0.00 0.00 176.35 175.27 1pwh s VAL 211 N 0.58 2.36 -0.16 1.48 -7.23 -1.26 -4.99 120.40 111.18 1pwh s VAL 211 Ca 0.62 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 1pwh s VAL 211 Cb -0.39 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 33.80 1pwh s VAL 211 CO 0.35 -0.17 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.88 1pwh s THR 212 N -2.59 2.12 -0.18 5.32 2.01 -1.26 -4.44 115.64 116.62 1pwh s THR 212 Ca 0.34 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 1pwh s THR 212 Cb 0.02 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 1pwh s THR 212 CO 0.18 0.54 1.43 -0.76 -0.69 0.00 0.00 174.62 175.32 1pwh s LEU 213 N 1.03 4.09 0.34 4.42 1.02 0.17 -4.90 118.68 124.84 1pwh s LEU 213 Ca -0.02 1.69 0.05 0.00 0.02 0.00 0.00 54.13 55.88 1pwh s LEU 213 Cb -0.14 -3.54 0.69 0.00 0.02 0.00 0.00 46.19 43.22 1pwh s LEU 213 CO -0.07 -0.97 1.91 1.55 0.02 0.00 0.00 176.35 178.79 1pwh h PRO 214 N 9.27 0.81 -3.94 1.29 0.13 -1.98 -3.43 132.00 134.15 1pwh h PRO 214 Ca -0.31 -0.05 -0.20 0.00 -0.87 0.00 0.00 66.00 64.58 1pwh h PRO 214 Cb 1.13 -0.18 -0.23 0.00 0.13 0.00 0.00 31.00 31.84 1pwh h PRO 214 CO 0.99 0.54 -0.71 0.15 -0.23 0.00 0.00 178.00 178.74 1pwh s LYS 215 N -5.77 0.23 -0.72 0.86 1.02 -1.26 -5.08 119.74 109.03 1pwh s LYS 215 Ca -0.10 -0.43 -0.19 0.00 0.02 0.00 0.00 55.97 55.27 1pwh s LYS 215 Cb 0.20 0.05 0.12 0.00 -0.52 0.00 0.00 37.83 37.69 1pwh s LYS 215 CO 0.79 -0.03 0.85 0.42 -0.92 0.00 0.00 175.35 176.46 1pwh s ILE 216 N -1.00 4.86 -1.21 2.17 -1.09 -1.26 -4.85 121.20 118.82 1pwh s ILE 216 Ca -0.11 -1.29 0.12 0.00 -2.23 0.00 0.00 60.65 57.14 1pwh s ILE 216 Cb -0.07 -4.58 0.50 0.00 -1.58 0.00 0.00 42.46 36.73 1pwh s ILE 216 CO -0.01 -1.25 1.36 1.07 -1.23 0.00 0.00 174.94 174.89 1pwh n THR 217 N 5.34 1.30 -3.58 2.92 5.66 0.51 -4.93 114.28 121.50 1pwh n THR 217 Ca 0.03 -0.82 -0.20 0.00 -3.05 0.00 0.00 64.05 60.01 1pwh n THR 217 Cb 0.45 -0.02 -0.01 0.00 -1.55 0.00 0.00 70.33 69.20 1pwh n THR 217 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1pwh s SER 218 N -0.75 6.10 0.38 1.09 0.15 -1.04 -4.79 113.70 114.83 1pwh s SER 218 Ca 0.35 -0.01 0.21 0.00 0.70 0.00 0.00 55.95 57.20 1pwh s SER 218 Cb 0.23 -1.53 0.24 0.00 -1.71 0.00 0.00 66.02 63.25 1pwh s SER 218 CO 0.17 -0.33 1.53 -0.37 1.20 0.00 0.00 173.24 175.44 1pwh h VAL 219 N 0.93 0.25 0.00 4.45 -1.51 -1.91 -3.38 116.25 115.08 1pwh h VAL 219 Ca -0.48 -1.36 -0.67 0.00 -1.23 0.00 0.00 66.70 62.96 1pwh h VAL 219 Cb 1.24 2.11 -0.00 0.00 -2.13 0.00 0.00 31.29 32.51 1pwh h VAL 219 CO 0.57 0.14 2.96 0.00 -1.23 0.00 0.00 177.57 180.01 1pwh n ALA 220 N -2.14 5.11 -0.12 5.19 0.00 -1.26 -4.76 120.51 122.53 1pwh n ALA 220 Ca 0.03 -3.57 0.20 0.00 0.00 0.00 0.00 53.44 50.10 1pwh n ALA 220 Cb 0.59 -3.52 0.61 0.00 0.00 0.00 0.00 19.45 17.14 1pwh n ALA 220 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1pwh h LYS 221 N 6.43 0.19 0.00 0.00 1.79 -1.97 -0.22 116.57 122.79 1pwh h LYS 221 Ca 0.56 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 1pwh h LYS 221 Cb 0.58 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1pwh h LYS 221 CO 1.87 0.12 0.00 0.00 -1.08 0.00 0.00 179.45 180.37 1pwh n ALA 222 N -2.60 1.43 0.71 3.86 0.00 -1.26 0.37 120.51 123.03 1pwh n ALA 222 Ca 0.14 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1pwh n ALA 222 Cb 0.65 -1.14 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 1pwh n ALA 222 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pwh n LEU 223 N -1.47 1.60 -2.86 0.00 4.32 -0.10 -4.72 117.00 113.77 1pwh n LEU 223 Ca 0.02 -0.76 -0.10 0.00 -0.02 0.00 0.00 56.01 55.16 1pwh n LEU 223 Cb 0.10 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.88 1pwh n LEU 223 CO 0.08 0.31 1.47 0.61 -1.22 0.00 0.00 177.39 178.64 1pwh n GLY 224 N 1.15 2.21 3.32 -0.72 0.00 0.16 -4.52 105.19 106.78 1pwh n GLY 224 Ca 0.07 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 1pwh n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pwh s VAL 225 N 3.55 4.33 0.62 1.61 1.01 -1.26 -4.77 120.40 125.49 1pwh s VAL 225 Ca 0.22 -1.12 0.26 0.00 0.00 0.00 0.00 61.98 61.33 1pwh s VAL 225 Cb 0.07 -3.52 0.33 0.00 0.00 0.00 0.00 36.38 33.26 1pwh s VAL 225 CO -0.01 -0.35 1.70 0.78 0.00 0.00 0.00 175.10 177.22 1pwh h ASN 226 N 8.40 0.00 -2.61 3.32 4.21 -1.87 -3.39 115.58 123.64 1pwh h ASN 226 Ca -0.24 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.20 1pwh h ASN 226 Cb 1.09 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 38.03 1pwh h ASN 226 CO 0.70 0.00 -0.31 0.28 -1.29 0.00 0.00 177.43 176.81 1pwh s THR 227 N -4.40 -0.54 0.79 2.81 -1.32 -1.26 0.46 115.64 112.18 1pwh s THR 227 Ca -0.03 0.13 -0.12 0.00 -1.21 0.00 0.00 61.69 60.45 1pwh s THR 227 Cb 0.12 -0.71 0.07 0.00 -1.51 0.00 0.00 72.50 70.47 1pwh s THR 227 CO 0.42 0.05 1.14 0.68 -2.21 0.00 0.00 174.62 174.71 1pwh s VAL 228 N 2.37 2.61 0.59 5.08 -7.23 -1.26 -4.97 120.40 117.59 1pwh s VAL 228 Ca -0.04 0.24 -0.19 0.00 -1.81 0.00 0.00 61.98 60.18 1pwh s VAL 228 Cb -0.11 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1pwh s VAL 228 CO -0.14 -0.22 1.21 -0.83 -0.31 0.00 0.00 175.10 174.81 1pwh s GLY 229 N -2.67 2.74 0.30 2.32 0.00 -0.69 -4.90 107.32 104.42 1pwh s GLY 229 Ca 0.67 1.01 -0.02 0.00 0.00 0.00 0.00 44.72 46.39 1pwh s GLY 229 CO 0.52 1.40 1.97 0.00 0.00 0.00 0.00 173.10 176.99 1pwh h ALA 230 N 0.94 1.41 -0.71 3.20 0.00 -1.94 -1.90 119.26 120.27 1pwh h ALA 230 Ca -0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1pwh h ALA 230 Cb 1.30 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1pwh h ALA 230 CO 0.55 0.55 0.35 0.37 0.00 0.00 0.00 179.25 181.06 1pwh h GLN 231 N 1.11 1.01 0.45 0.00 5.75 -1.95 0.17 115.11 121.65 1pwh h GLN 231 Ca 0.30 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 1pwh h GLN 231 Cb -0.13 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.23 1pwh h GLN 231 CO -0.06 0.78 -0.24 1.15 -2.65 0.00 0.00 178.83 177.81 1pwh h THR 232 N 1.01 0.52 -0.83 2.39 2.02 -1.64 -0.31 112.91 116.06 1pwh h THR 232 Ca 0.25 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 1pwh h THR 232 Cb 0.10 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1pwh h THR 232 CO -0.03 0.00 0.41 0.25 0.37 0.00 0.00 175.52 176.52 1pwh h LEU 233 N -0.64 1.07 -0.30 2.58 5.85 -1.23 -2.77 115.31 119.87 1pwh h LEU 233 Ca -0.06 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1pwh h LEU 233 Cb 0.50 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1pwh h LEU 233 CO 0.09 0.90 0.03 0.50 -0.34 0.00 0.00 178.44 179.61 1pwh h LYS 234 N 1.17 0.12 0.00 1.25 3.64 -0.43 -1.95 116.57 120.37 1pwh h LYS 234 Ca 0.29 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1pwh h LYS 234 Cb 0.10 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1pwh h LYS 234 CO -0.04 0.08 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.15 1pwh h LEU 235 N 0.13 0.00 -1.55 5.20 4.07 -0.79 -2.53 115.31 119.84 1pwh h LEU 235 Ca 0.14 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.17 1pwh h LEU 235 Cb 0.17 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 1pwh h LEU 235 CO -0.21 0.00 0.40 0.15 -1.08 0.00 0.00 178.44 177.70 1pwh h PHE 236 N 0.00 0.56 -0.00 1.13 3.04 -1.13 -0.72 116.94 119.81 1pwh h PHE 236 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1pwh h PHE 236 Cb 0.01 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.33 1pwh h PHE 236 CO 0.00 0.29 -0.34 0.66 -2.02 0.00 0.00 178.31 176.90 1pwh n TYR 237 N -4.48 0.00 -0.03 0.41 4.02 -0.95 -4.11 117.16 112.02 1pwh n TYR 237 Ca 0.09 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.01 1pwh n TYR 237 Cb 0.26 -0.19 -0.14 0.00 -0.02 0.00 0.00 39.34 39.25 1pwh n TYR 237 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1pwh n GLU 238 N -1.04 0.77 -4.24 -0.72 1.02 -0.41 -5.00 120.64 111.03 1pwh n GLU 238 Ca 0.10 -0.12 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 1pwh n GLU 238 Cb 0.34 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 30.19 1pwh n GLU 238 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1pwh s HIS 239 N -2.99 1.38 -0.61 -0.32 2.46 -0.43 -5.07 115.29 109.71 1pwh s HIS 239 Ca -0.07 -0.43 -0.26 0.00 0.47 0.00 0.00 55.06 54.76 1pwh s HIS 239 Cb 0.10 -0.78 -0.03 0.00 -0.13 0.00 0.00 32.58 31.74 1pwh s HIS 239 CO 0.75 0.09 1.95 -1.25 -2.47 0.00 0.00 174.74 173.81 1pwh s PRO 240 N -1.69 2.53 -0.09 2.88 0.04 -1.26 -4.72 135.00 132.70 1pwh s PRO 240 Ca 0.01 0.70 0.03 0.00 0.04 0.00 0.00 61.00 61.78 1pwh s PRO 240 Cb -0.10 -4.45 0.01 0.00 0.04 0.00 0.00 34.50 30.00 1pwh s PRO 240 CO 0.03 -2.86 -0.19 0.42 0.04 0.00 0.00 177.00 174.44 1pwh s ILE 241 N 9.64 1.65 -0.22 0.56 1.01 -1.26 -0.65 121.20 131.93 1pwh s ILE 241 Ca 0.72 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 1pwh s ILE 241 Cb -0.13 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 1pwh s ILE 241 CO 0.21 0.47 0.21 -0.36 0.00 0.00 0.00 174.94 175.47 1pwh s PHE 242 N 0.50 3.35 -0.40 3.97 0.40 0.20 -4.95 117.98 121.05 1pwh s PHE 242 Ca -0.17 0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 56.38 1pwh s PHE 242 Cb -0.17 -2.31 0.04 0.00 0.51 0.00 0.00 43.02 41.08 1pwh s PHE 242 CO 0.06 0.09 0.27 0.45 0.70 0.00 0.00 175.22 176.79 1pwh s SER 243 N 0.93 5.91 0.08 1.36 0.15 -1.26 0.33 113.70 121.20 1pwh s SER 243 Ca 0.11 -1.06 0.10 0.00 0.70 0.00 0.00 55.95 55.80 1pwh s SER 243 Cb -0.13 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1pwh s SER 243 CO 0.04 -0.46 -0.26 -1.61 1.20 0.00 0.00 173.24 172.15 1pwh s GLU 244 N 1.60 1.65 -0.05 5.44 8.01 0.19 -4.99 118.70 130.55 1pwh s GLU 244 Ca 0.03 -1.20 0.05 0.00 0.01 0.00 0.00 54.97 53.86 1pwh s GLU 244 Cb -0.20 -1.96 -0.01 0.00 -4.31 0.00 0.00 34.13 27.66 1pwh s GLU 244 CO 0.07 0.49 -0.21 0.54 0.01 0.00 0.00 175.26 176.16 1pwh s VAL 245 N -0.91 1.74 0.22 2.63 0.11 -1.26 -2.28 120.40 120.65 1pwh s VAL 245 Ca 0.13 -0.89 0.09 0.00 -2.93 0.00 0.00 61.98 58.38 1pwh s VAL 245 Cb -0.10 -1.48 -0.05 0.00 -1.53 0.00 0.00 36.38 33.22 1pwh s VAL 245 CO 0.04 0.49 -0.16 -0.51 -3.33 0.00 0.00 175.10 171.63 1pwh s ILE 246 N -0.04 1.90 0.55 7.04 1.10 0.30 -4.91 121.20 127.14 1pwh s ILE 246 Ca -0.04 -2.25 -0.13 0.00 -0.51 0.00 0.00 60.65 57.73 1pwh s ILE 246 Cb -0.13 -2.09 -0.06 0.00 0.15 0.00 0.00 42.46 40.33 1pwh s ILE 246 CO 0.03 -0.54 0.97 -0.94 -2.11 0.00 0.00 174.94 172.34 1pwh s SER 247 N -3.33 6.41 0.35 4.50 1.04 -1.26 -0.57 113.70 120.83 1pwh s SER 247 Ca 0.24 1.41 0.05 0.00 0.48 0.00 0.00 55.95 58.13 1pwh s SER 247 Cb -0.02 -2.45 0.71 0.00 0.10 0.00 0.00 66.02 64.36 1pwh s SER 247 CO 0.09 -0.69 1.93 0.44 0.98 0.00 0.00 173.24 175.99 1pwh h ASP 248 N 0.36 0.72 0.10 7.02 3.45 -1.95 -1.45 116.42 124.66 1pwh h ASP 248 Ca -0.46 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.01 1pwh h ASP 248 Cb 1.19 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.82 1pwh h ASP 248 CO 0.62 0.45 -0.06 1.56 -1.57 0.00 0.00 179.24 180.23 1pwh h GLN 249 N 0.81 -0.15 -0.16 3.56 7.50 -1.93 0.01 115.11 124.74 1pwh h GLN 249 Ca 0.36 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.53 1pwh h GLN 249 Cb 0.33 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 1pwh h GLN 249 CO -0.13 -0.10 0.11 0.93 -1.50 0.00 0.00 178.83 178.13 1pwh h GLU 250 N -0.16 0.16 -0.05 1.46 5.08 -1.71 0.50 114.58 119.87 1pwh h GLU 250 Ca -0.01 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 1pwh h GLU 250 Cb 0.14 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1pwh h GLU 250 CO 0.00 0.11 -0.78 0.00 -1.00 0.00 0.00 179.01 177.34 1pwh h ALA 251 N 1.91 0.17 -0.17 3.43 0.00 -0.71 -2.05 119.26 121.83 1pwh h ALA 251 Ca 0.06 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 1pwh h ALA 251 Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pwh h ALA 251 CO -0.01 0.55 -0.53 0.28 0.00 0.00 0.00 179.25 179.53 1pwh h VAL 252 N 0.26 1.33 -0.42 0.00 2.07 -0.34 -2.39 116.25 116.76 1pwh h VAL 252 Ca -0.08 -1.78 -0.05 0.00 0.82 0.00 0.00 66.70 65.61 1pwh h VAL 252 Cb 1.44 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1pwh h VAL 252 CO 0.16 0.55 0.06 0.74 0.02 0.00 0.00 177.57 179.10 1pwh h THR 253 N 0.39 1.20 -0.30 2.57 2.02 -0.03 -2.11 112.91 116.65 1pwh h THR 253 Ca 0.01 -0.76 -0.12 0.00 0.77 0.00 0.00 66.41 66.31 1pwh h THR 253 Cb 1.06 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1pwh h THR 253 CO 0.10 0.27 -0.31 0.00 0.37 0.00 0.00 175.52 175.95 1pwh h ALA 254 N 1.46 0.89 -0.53 6.16 0.00 -0.98 -1.72 119.26 124.54 1pwh h ALA 254 Ca 0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1pwh h ALA 254 Cb 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1pwh h ALA 254 CO 0.00 0.62 0.31 0.82 0.00 0.00 0.00 179.25 181.01 1pwh h ILE 255 N 0.54 1.17 -0.39 0.00 2.04 -0.91 0.16 117.51 120.13 1pwh h ILE 255 Ca 0.06 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1pwh h ILE 255 Cb 0.80 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1pwh h ILE 255 CO 0.07 0.17 0.16 -0.08 0.00 0.00 0.00 178.15 178.47 1pwh h GLU 256 N 0.71 0.57 -0.12 2.37 4.81 -1.22 -1.87 114.58 119.82 1pwh h GLU 256 Ca 0.19 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 1pwh h GLU 256 Cb 0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1pwh h GLU 256 CO -0.03 0.54 -0.64 0.87 -0.73 0.00 0.00 179.01 179.01 1pwh h LYS 257 N 0.48 0.47 -0.35 1.92 1.57 -1.11 -3.26 116.57 116.29 1pwh h LYS 257 Ca 0.13 -0.34 -0.17 0.00 -1.87 0.00 0.00 60.65 58.40 1pwh h LYS 257 Cb 0.18 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1pwh h LYS 257 CO -0.01 0.96 -0.44 0.35 -0.57 0.00 0.00 179.45 179.73 1pwh h PHE 258 N 0.34 1.13 -0.18 -1.35 3.57 -0.54 -0.28 116.94 119.62 1pwh h PHE 258 Ca -0.01 -0.36 -0.05 0.00 3.53 0.00 0.00 57.97 61.08 1pwh h PHE 258 Cb 1.20 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1pwh h PHE 258 CO 0.04 1.19 -0.11 -0.24 -2.23 0.00 0.00 178.31 176.97 1pwh h VAL 259 N 0.74 1.18 0.19 1.41 3.04 -1.23 0.12 116.25 121.69 1pwh h VAL 259 Ca 0.05 -0.77 -0.31 0.00 -1.01 0.00 0.00 66.70 64.66 1pwh h VAL 259 Cb 1.04 1.16 0.02 0.00 -2.01 0.00 0.00 31.29 31.51 1pwh h VAL 259 CO 0.11 0.24 -1.36 0.44 -1.01 0.00 0.00 177.57 175.99 1pwh h ASP 260 N 0.27 0.63 -0.12 3.17 3.45 -1.57 0.11 116.42 122.35 1pwh h ASP 260 Ca 0.06 -0.67 -0.22 0.00 0.43 0.00 0.00 57.03 56.62 1pwh h ASP 260 Cb 0.36 -0.21 0.01 0.00 -0.56 0.00 0.00 39.33 38.94 1pwh h ASP 260 CO 0.02 1.53 -0.80 0.44 -1.57 0.00 0.00 179.24 178.86 1pwh h ASP 261 N 0.11 0.92 0.00 6.45 3.45 -0.76 -3.38 116.42 123.21 1pwh h ASP 261 Ca -0.19 -0.65 0.00 0.00 0.43 0.00 0.00 57.03 56.62 1pwh h ASP 261 Cb 2.07 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 40.57 1pwh h ASP 261 CO 0.24 1.42 -0.10 -0.62 -1.57 0.00 0.00 179.24 178.61 1pwh n GLU 262 N -3.95 1.18 -2.08 3.56 -0.58 0.39 -4.93 120.64 114.23 1pwh n GLU 262 Ca -0.08 -1.35 -0.20 0.00 -0.42 0.00 0.00 57.16 55.11 1pwh n GLU 262 Cb 0.76 -0.86 -0.04 0.00 -0.57 0.00 0.00 31.44 30.72 1pwh n GLU 262 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1pwh n LYS 263 N -0.46 -1.62 -4.91 3.49 4.01 0.02 -4.97 118.16 113.72 1pwh n LYS 263 Ca 0.03 1.05 -0.32 0.00 -0.51 0.00 0.00 58.31 58.56 1pwh n LYS 263 Cb 0.49 -5.60 -0.17 0.00 -0.51 0.00 0.00 35.03 29.25 1pwh n LYS 263 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1pwh s ILE 264 N -2.88 2.11 -0.42 -0.18 -1.09 -1.24 -4.98 121.20 112.52 1pwh s ILE 264 Ca 0.00 -0.98 -0.18 0.00 -2.23 0.00 0.00 60.65 57.26 1pwh s ILE 264 Cb 0.00 -1.83 0.02 0.00 -1.58 0.00 0.00 42.46 39.07 1pwh s ILE 264 CO 0.00 0.55 0.47 -0.22 -1.23 0.00 0.00 174.94 174.52 1pwh s LEU 265 N 0.59 4.77 0.36 2.97 2.96 -1.26 -2.98 118.68 126.10 1pwh s LEU 265 Ca -0.12 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 53.28 1pwh s LEU 265 Cb -0.17 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1pwh s LEU 265 CO 0.03 -0.61 0.21 0.68 -1.32 0.00 0.00 176.35 175.35 1pwh s VAL 266 N 2.26 2.96 0.54 1.68 -7.23 -1.26 -4.91 120.40 114.45 1pwh s VAL 266 Ca 0.14 -1.58 0.02 0.00 -1.81 0.00 0.00 61.98 58.75 1pwh s VAL 266 Cb -0.16 -3.02 0.04 0.00 0.56 0.00 0.00 36.38 33.79 1pwh s VAL 266 CO 0.14 -0.13 0.76 -1.83 -0.31 0.00 0.00 175.10 173.74 1pwh s GLU 267 N -3.92 2.51 0.28 4.82 -1.05 -1.13 -4.85 118.70 115.35 1pwh s GLU 267 Ca 0.40 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 1pwh s GLU 267 Cb -0.02 -2.52 0.67 0.00 -0.44 0.00 0.00 34.13 31.81 1pwh s GLU 267 CO 0.24 -0.71 1.62 -1.35 0.95 0.00 0.00 175.26 176.02 1pwh h PRO 268 N 0.11 0.12 -0.51 -4.83 0.11 -1.88 0.27 132.00 125.40 1pwh h PRO 268 Ca -0.41 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.78 1pwh h PRO 268 Cb 1.29 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1pwh h PRO 268 CO 0.50 0.08 0.34 0.00 -0.21 0.00 0.00 178.00 178.71 1pwh h ALA 269 N 1.82 2.08 0.01 -0.75 0.00 -1.91 -0.90 119.26 119.61 1pwh h ALA 269 Ca 0.54 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 55.17 1pwh h ALA 269 Cb 1.07 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1pwh h ALA 269 CO -0.73 -0.20 -1.46 0.00 0.00 0.00 0.00 179.25 176.87 1pwh h GLY 271 N 3.24 0.00 1.09 0.00 0.00 0.26 -2.46 103.07 105.19 1pwh h GLY 271 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 1pwh h GLY 271 CO 0.10 0.00 0.04 0.00 0.00 0.00 0.00 176.54 176.68 1pwh h ALA 272 N 1.86 0.86 -0.15 3.60 0.00 -1.32 -0.23 119.26 123.88 1pwh h ALA 272 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1pwh h ALA 272 Cb 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pwh h ALA 272 CO 0.02 0.67 -0.31 0.00 0.00 0.00 0.00 179.25 179.64 1pwh h ALA 273 N 1.02 0.24 -0.42 0.00 0.00 -1.60 -3.12 119.26 115.38 1pwh h ALA 273 Ca 0.19 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1pwh h ALA 273 Cb 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1pwh h ALA 273 CO 0.02 0.27 0.28 -0.07 0.00 0.00 0.00 179.25 179.75 1pwh h LEU 274 N 0.09 0.47 -2.29 0.00 3.38 -1.33 -1.65 115.31 113.98 1pwh h LEU 274 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1pwh h LEU 274 Cb 0.90 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1pwh h LEU 274 CO 0.07 0.34 0.23 0.00 0.09 0.00 0.00 178.44 179.17 1pwh h ALA 275 N 1.74 1.36 -0.08 1.53 0.00 -0.96 0.64 119.26 123.49 1pwh h ALA 275 Ca 0.16 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1pwh h ALA 275 Cb -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pwh h ALA 275 CO -0.03 -0.26 0.09 0.00 0.00 0.00 0.00 179.25 179.04 1pwh h ALA 276 N 1.58 1.70 0.00 0.00 0.00 -1.40 0.38 119.26 121.52 1pwh h ALA 276 Ca 0.02 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 1pwh h ALA 276 Cb 0.49 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1pwh h ALA 276 CO -0.00 -0.13 -2.08 1.55 0.00 0.00 0.00 179.25 178.58 1pwh n VAL 277 N -3.90 1.06 -0.25 0.00 3.14 0.17 -1.51 118.33 117.04 1pwh n VAL 277 Ca -0.01 -0.29 -0.02 0.00 -2.96 0.00 0.00 64.34 61.06 1pwh n VAL 277 Cb 0.19 -1.67 0.09 0.00 -1.06 0.00 0.00 33.84 31.39 1pwh n VAL 277 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 1pwh h TYR 278 N -0.60 0.82 -0.06 1.45 0.99 -1.32 -0.55 116.97 117.71 1pwh h TYR 278 Ca -0.48 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1pwh h TYR 278 Cb 1.46 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 38.93 1pwh h TYR 278 CO -0.05 0.45 0.00 0.43 -0.00 0.00 0.00 178.16 178.98 1pwh n SER 279 N -4.68 0.88 -1.21 3.88 7.64 0.13 -4.93 113.62 115.32 1pwh n SER 279 Ca 0.08 -1.46 -0.11 0.00 1.01 0.00 0.00 58.87 58.40 1pwh n SER 279 Cb 0.12 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 1pwh n SER 279 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pwh n GLY 280 N 1.02 0.07 0.18 0.23 0.00 -0.21 -4.96 105.19 101.51 1pwh n GLY 280 Ca 0.18 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1pwh n GLY 280 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pwh h VAL 281 N 0.00 1.20 -0.78 1.61 2.07 -1.44 -2.53 116.25 116.37 1pwh h VAL 281 Ca -0.26 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1pwh h VAL 281 Cb 1.14 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1pwh h VAL 281 CO 0.31 0.22 0.41 -0.37 0.02 0.00 0.00 177.57 178.16 1pwh h VAL 282 N 0.42 1.24 -0.48 2.57 -1.51 -1.75 -1.28 116.25 115.46 1pwh h VAL 282 Ca 0.12 -0.62 -0.03 0.00 -1.23 0.00 0.00 66.70 64.94 1pwh h VAL 282 Cb 0.21 0.22 -0.02 0.00 -2.13 0.00 0.00 31.29 29.57 1pwh h VAL 282 CO -0.01 0.27 0.18 0.00 -1.23 0.00 0.00 177.57 176.78 1pwh h ARG 284 N 0.68 0.90 -0.11 0.00 2.43 -0.95 0.16 114.38 117.49 1pwh h ARG 284 Ca 0.16 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 1pwh h ARG 284 Cb 0.15 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1pwh h ARG 284 CO -0.01 1.04 -0.19 -0.07 -1.51 0.00 0.00 179.97 179.23 1pwh h LEU 285 N 0.74 0.18 -0.02 3.80 3.38 -0.54 0.85 115.31 123.69 1pwh h LEU 285 Ca 0.10 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1pwh h LEU 285 Cb 0.76 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1pwh h LEU 285 CO 0.06 0.39 -0.38 1.56 0.09 0.00 0.00 178.44 180.16 1pwh h GLN 286 N 0.18 0.30 -0.05 1.13 4.20 -0.65 0.56 115.11 120.77 1pwh h GLN 286 Ca 0.03 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 1pwh h GLN 286 Cb 0.45 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1pwh h GLN 286 CO 0.03 0.97 -0.12 0.00 -0.67 0.00 0.00 178.83 179.05 1pwh h ALA 287 N 0.33 1.72 -0.00 3.87 0.00 -0.44 0.17 119.26 124.91 1pwh h ALA 287 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pwh h ALA 287 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pwh h ALA 287 CO 0.08 0.21 -0.06 0.39 0.00 0.00 0.00 179.25 179.86 1pwh n GLU 288 N -4.36 0.13 -1.08 0.00 1.02 0.27 -4.91 120.64 111.70 1pwh n GLU 288 Ca -0.02 -0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.08 1pwh n GLU 288 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 1pwh n GLU 288 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwh n ALA 289 N -1.42 -0.04 0.26 0.62 0.00 0.59 -4.89 120.51 115.63 1pwh n ALA 289 Ca 0.09 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1pwh n ALA 289 Cb 0.32 -0.67 0.16 0.00 0.00 0.00 0.00 19.45 19.25 1pwh n ALA 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pwh h ARG 290 N 0.38 0.00 -5.77 0.00 3.08 -1.13 -3.44 114.38 107.50 1pwh h ARG 290 Ca -0.06 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.38 1pwh h ARG 290 Cb 0.34 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.08 1pwh h ARG 290 CO 0.08 0.00 -0.86 -0.51 -1.07 0.00 0.00 179.97 177.62 1pwh s LEU 291 N -5.72 2.00 0.81 3.04 1.43 -0.71 -4.99 118.68 114.53 1pwh s LEU 291 Ca 0.06 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1pwh s LEU 291 Cb 0.07 -1.11 0.08 0.00 0.03 0.00 0.00 46.19 45.26 1pwh s LEU 291 CO 0.69 0.22 1.12 0.00 0.23 0.00 0.00 176.35 178.60 1pwh s GLN 292 N -0.22 1.89 -0.06 1.70 -2.07 -1.26 -4.27 119.66 115.37 1pwh s GLN 292 Ca 0.01 1.34 -0.02 0.00 -1.82 0.00 0.00 55.36 54.86 1pwh s GLN 292 Cb -0.11 -1.84 0.04 0.00 -1.09 0.00 0.00 33.01 30.01 1pwh s GLN 292 CO 0.01 -1.94 0.10 0.99 -1.32 0.00 0.00 175.29 173.13 1pwh s THR 293 N -2.74 -0.13 0.61 3.63 2.01 -1.26 -3.48 115.64 114.28 1pwh s THR 293 Ca 0.64 0.31 -0.17 0.00 0.31 0.00 0.00 61.69 62.79 1pwh s THR 293 Cb -0.20 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1pwh s THR 293 CO 0.55 0.13 1.12 -2.16 -0.69 0.00 0.00 174.62 173.57 1pwh s PRO 294 N 1.78 3.01 -0.05 4.92 0.04 -1.26 -5.16 135.00 138.29 1pwh s PRO 294 Ca -0.01 1.48 -0.06 0.00 0.04 0.00 0.00 61.00 62.45 1pwh s PRO 294 Cb -0.12 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1pwh s PRO 294 CO -0.04 -1.10 0.20 -1.17 0.04 0.00 0.00 177.00 174.93 1pwh s LEU 295 N -4.45 4.38 0.54 -3.56 2.96 -1.23 -5.08 118.68 112.24 1pwh s LEU 295 Ca 0.69 0.49 -0.19 0.00 -0.22 0.00 0.00 54.13 54.91 1pwh s LEU 295 Cb -0.22 -2.42 -0.06 0.00 0.50 0.00 0.00 46.19 43.99 1pwh s LEU 295 CO 0.36 0.32 1.08 0.00 -1.32 0.00 0.00 176.35 176.79 1pwh s ALA 296 N -1.19 2.75 -0.33 5.97 0.00 -1.26 -4.71 121.76 122.99 1pwh s ALA 296 Ca 0.22 0.65 -0.42 0.00 0.00 0.00 0.00 51.96 52.41 1pwh s ALA 296 Cb -0.13 -3.29 -0.19 0.00 0.00 0.00 0.00 23.12 19.51 1pwh s ALA 296 CO 0.12 -0.64 1.36 -1.13 0.00 0.00 0.00 175.76 175.48 1pwh n SER 297 N -1.37 0.80 -4.90 0.00 3.41 -1.26 -2.48 113.62 107.81 1pwh n SER 297 Ca 0.10 1.12 -0.31 0.00 -0.26 0.00 0.00 58.87 59.52 1pwh n SER 297 Cb 0.52 -0.84 -0.05 0.00 -0.26 0.00 0.00 64.21 63.58 1pwh n SER 297 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1pwh s LEU 298 N 1.99 4.28 -0.19 1.04 0.05 0.15 -1.46 118.68 124.54 1pwh s LEU 298 Ca 0.95 0.53 -0.06 0.00 0.05 0.00 0.00 54.13 55.60 1pwh s LEU 298 Cb -1.35 -3.25 -0.03 0.00 -2.05 0.00 0.00 46.19 39.51 1pwh s LEU 298 CO 0.71 0.07 0.02 -0.69 -0.55 0.00 0.00 176.35 175.90 1pwh s VAL 299 N -1.64 4.19 -0.25 1.48 1.01 -0.02 -0.64 120.40 124.53 1pwh s VAL 299 Ca 0.40 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 1pwh s VAL 299 Cb -0.12 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1pwh s VAL 299 CO 0.25 0.44 0.11 -0.69 0.00 0.00 0.00 175.10 175.21 1pwh s VAL 300 N 0.81 4.74 -0.48 2.92 1.01 0.52 -0.68 120.40 129.23 1pwh s VAL 300 Ca 0.01 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 1pwh s VAL 300 Cb -0.14 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.05 1pwh s VAL 300 CO 0.02 0.32 1.09 -0.63 0.00 0.00 0.00 175.10 175.90 1pwh s ILE 301 N 1.50 4.26 -1.02 2.22 1.01 -0.31 -1.41 121.20 127.44 1pwh s ILE 301 Ca 0.06 1.08 -0.20 0.00 0.00 0.00 0.00 60.65 61.59 1pwh s ILE 301 Cb -0.15 -4.57 0.09 0.00 0.01 0.00 0.00 42.46 37.84 1pwh s ILE 301 CO 0.06 -0.99 1.36 -0.69 0.00 0.00 0.00 174.94 174.67 1pwh s VAL 302 N 4.32 4.30 0.55 2.92 1.01 -0.75 -4.78 120.40 127.96 1pwh s VAL 302 Ca 0.45 -1.27 0.21 0.00 0.00 0.00 0.00 61.98 61.37 1pwh s VAL 302 Cb -0.08 -4.96 0.31 0.00 0.00 0.00 0.00 36.38 31.65 1pwh s VAL 302 CO 0.30 -1.77 2.18 0.00 0.00 0.00 0.00 175.10 175.81 1pwh n GLY 304 N -1.47 1.83 0.00 0.00 0.00 -1.26 -2.38 105.19 101.92 1pwh n GLY 304 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1pwh n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwh n GLY 305 N 0.00 2.84 0.00 -0.02 0.00 -0.94 -2.85 105.19 104.22 1pwh n GLY 305 Ca 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.31 1pwh n GLY 305 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pwh n SER 306 N 0.00 0.86 -2.85 1.61 7.64 -1.26 -4.52 113.62 115.10 1pwh n SER 306 Ca 0.00 -0.68 -0.22 0.00 1.01 0.00 0.00 58.87 58.99 1pwh n SER 306 Cb 0.00 1.17 -0.06 0.00 -1.01 0.00 0.00 64.21 64.31 1pwh n SER 306 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pwh n ASN 307 N -1.53 5.50 -3.46 6.43 3.02 -1.26 -4.78 115.26 119.17 1pwh n ASN 307 Ca 0.02 -2.34 -0.10 0.00 -0.03 0.00 0.00 54.58 52.12 1pwh n ASN 307 Cb 0.29 -1.19 -0.02 0.00 -0.61 0.00 0.00 39.78 38.25 1pwh n ASN 307 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1pwh s ILE 308 N 2.46 0.00 -0.01 2.41 1.10 -1.26 -4.60 121.20 121.30 1pwh s ILE 308 Ca 0.50 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.34 1pwh s ILE 308 Cb 0.17 -1.00 0.11 0.00 0.15 0.00 0.00 42.46 41.89 1pwh s ILE 308 CO -0.03 0.00 1.19 -0.94 -2.11 0.00 0.00 174.94 173.05 1pwh s SER 309 N -2.61 -0.11 0.21 4.50 1.04 -1.26 -4.95 113.70 110.52 1pwh s SER 309 Ca 0.03 -0.16 -0.10 0.00 0.48 0.00 0.00 55.95 56.20 1pwh s SER 309 Cb -0.01 0.24 0.23 0.00 0.10 0.00 0.00 66.02 66.57 1pwh s SER 309 CO -0.11 -0.43 1.80 -0.07 0.98 0.00 0.00 173.24 175.42 1pwh h LEU 310 N 2.00 0.51 0.00 2.42 4.07 -2.02 0.20 115.31 122.50 1pwh h LEU 310 Ca -0.25 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.74 1pwh h LEU 310 Cb 1.20 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1pwh h LEU 310 CO 0.27 0.33 -0.00 0.00 -1.08 0.00 0.00 178.44 177.96 1pwh h ALA 311 N 1.34 -0.00 -0.90 1.53 0.00 -2.00 -2.58 119.26 116.65 1pwh h ALA 311 Ca 0.29 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1pwh h ALA 311 Cb 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1pwh h ALA 311 CO -0.18 -0.41 0.59 1.96 0.00 0.00 0.00 179.25 181.21 1pwh h GLN 312 N -0.18 1.10 -0.78 0.00 4.20 -1.85 -0.84 115.11 116.75 1pwh h GLN 312 Ca -0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1pwh h GLN 312 Cb 0.18 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 1pwh h GLN 312 CO 0.00 0.73 0.43 1.25 -0.67 0.00 0.00 178.83 180.57 1pwh h LEU 313 N 1.13 0.97 -0.37 1.46 7.12 -0.82 0.21 115.31 125.02 1pwh h LEU 313 Ca 0.35 -0.10 -0.17 0.00 0.13 0.00 0.00 57.88 58.09 1pwh h LEU 313 Cb 0.00 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 39.88 1pwh h LEU 313 CO -0.10 0.79 -0.50 1.56 -0.13 0.00 0.00 178.44 180.06 1pwh h GLN 314 N 1.08 0.84 -0.62 1.25 1.08 -1.01 -1.03 115.11 116.70 1pwh h GLN 314 Ca 0.28 -0.50 -0.02 0.00 -1.45 0.00 0.00 58.65 56.96 1pwh h GLN 314 Cb 0.03 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1pwh h GLN 314 CO -0.04 1.14 0.32 0.00 -0.95 0.00 0.00 178.83 179.29 1pwh h ALA 315 N 0.77 1.40 -0.26 3.87 0.00 -0.70 0.09 119.26 124.44 1pwh h ALA 315 Ca 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1pwh h ALA 315 Cb 1.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1pwh h ALA 315 CO 0.11 0.48 -0.03 -0.07 0.00 0.00 0.00 179.25 179.75 1pwh h LEU 316 N 0.87 0.48 -0.75 0.00 4.07 -0.35 -1.29 115.31 118.34 1pwh h LEU 316 Ca 0.22 -0.33 -0.10 0.00 0.08 0.00 0.00 57.88 57.75 1pwh h LEU 316 Cb 0.05 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1pwh h LEU 316 CO -0.03 0.70 -0.09 0.11 -1.08 0.00 0.00 178.44 178.05 1pwh h LYS 317 N 0.25 0.87 -0.45 1.13 1.57 -0.66 -1.67 116.57 117.61 1pwh h LYS 317 Ca 0.07 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 1pwh h LYS 317 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1pwh h LYS 317 CO 0.02 0.92 -0.24 0.00 -0.57 0.00 0.00 179.45 179.58 1pwh h ALA 318 N 1.11 0.64 -0.04 3.86 0.00 -0.94 0.17 119.26 124.07 1pwh h ALA 318 Ca 0.13 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1pwh h ALA 318 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1pwh h ALA 318 CO 0.04 0.64 -0.27 0.37 0.00 0.00 0.00 179.25 180.03 1pwh h GLN 319 N 0.80 0.07 -0.57 0.00 4.15 -1.08 -2.62 115.11 115.86 1pwh h GLN 319 Ca 0.10 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1pwh h GLN 319 Cb 0.82 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1pwh h GLN 319 CO 0.07 0.34 0.00 1.28 -1.93 0.00 0.00 178.83 178.59 1pwh n LEU 320 N -4.19 3.39 -1.77 -2.39 4.77 -0.64 -4.95 117.00 111.23 1pwh n LEU 320 Ca -0.02 -1.63 -0.18 0.00 -0.03 0.00 0.00 56.01 54.14 1pwh n LEU 320 Cb 0.34 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1pwh n LEU 320 CO 0.38 0.82 -0.21 0.61 -1.33 0.00 0.00 177.39 177.66 1pwh n GLY 321 N 1.51 0.69 3.70 -0.72 0.00 -0.72 -4.95 105.19 104.71 1pwh n GLY 321 Ca 0.21 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1pwh n GLY 321 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwh s LEU 322 N -4.77 4.32 -0.46 0.99 1.43 0.52 -3.46 118.68 117.24 1pwh s LEU 322 Ca 0.00 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1pwh s LEU 322 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1pwh s LEU 322 CO 0.00 -0.51 0.40 0.59 0.23 0.00 0.00 176.35 177.06 1pwh n ASN 323 N 4.65 -3.21 -3.43 2.29 3.02 -1.26 -4.68 115.26 112.64 1pwh n ASN 323 Ca 0.10 -0.19 -0.03 0.00 -0.03 0.00 0.00 54.58 54.43 1pwh n ASN 323 Cb 0.47 -2.07 -0.05 0.00 -0.61 0.00 0.00 39.78 37.52 1pwh n ASN 323 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pwh s GLU 324 N -5.25 0.47 0.20 3.52 2.02 -1.22 -5.13 118.70 113.29 1pwh s GLU 324 Ca 0.16 1.01 -0.33 0.00 0.02 0.00 0.00 54.97 55.84 1pwh s GLU 324 Cb -0.07 0.34 -0.14 0.00 0.10 0.00 0.00 34.13 34.36 1pwh s GLU 324 CO 0.25 -0.44 1.39 1.28 0.02 0.00 0.00 175.26 177.75 1pwh n LEU 325 N 5.41 2.64 0.00 1.80 4.77 -1.26 -4.92 117.00 125.44 1pwh n LEU 325 Ca -0.06 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 1pwh n LEU 325 Cb 0.50 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1pwh n LEU 325 CO 0.01 -0.67 0.12 -0.11 -1.33 0.00 0.00 177.39 175.41 1pwh n LEU 326 N 2.41 0.00 0.00 2.23 0.00 -1.26 -5.16 117.00 115.22 1pwh n LEU 326 Ca 0.14 0.24 0.00 0.00 0.00 0.00 0.00 56.01 56.39 1pwh n LEU 326 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.70 1pwh n LEU 326 CO 0.62 0.00 0.00 0.29 0.00 0.00 0.00 177.39 178.30