#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 1.59 0.56 -5.12 0.00 -1.26 -5.04 121.76 112.49 1pwh s ALA 2 Ca 0.00 -1.76 0.43 0.00 0.00 0.00 0.00 51.96 50.63 1pwh s ALA 2 Cb 0.00 0.86 1.58 0.00 0.00 0.00 0.00 23.12 25.56 1pwh s ALA 2 CO 0.00 -0.40 1.60 0.00 0.00 0.00 0.00 175.76 176.96 1pwh h ALA 3 N 2.50 3.52 0.00 0.00 0.00 -2.08 -2.20 119.26 121.00 1pwh h ALA 3 Ca -0.38 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1pwh h ALA 3 Cb 1.23 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1pwh h ALA 3 CO 0.61 -2.06 -0.22 1.04 0.00 0.00 0.00 179.25 178.63 1pwh n GLN 4 N -3.89 1.55 -0.03 0.00 3.00 -1.26 -4.10 117.38 112.65 1pwh n GLN 4 Ca 0.36 -0.67 -0.06 0.00 -0.01 0.00 0.00 57.00 56.63 1pwh n GLN 4 Cb 1.73 -1.73 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 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 2.31 0.13 -4.22 -1.09 4.07 -0.83 -5.02 120.64 116.00 1pwh n GLU 5 Ca 0.29 0.05 -0.17 0.00 -0.06 0.00 0.00 57.16 57.26 1pwh n GLU 5 Cb 0.72 -0.87 -0.15 0.00 -0.06 0.00 0.00 31.44 31.09 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 -5.16 0.80 0.16 4.31 0.01 -1.26 -5.03 113.70 107.53 1pwh s SER 6 Ca -0.08 -0.12 0.09 0.00 1.31 0.00 0.00 55.95 57.15 1pwh s SER 6 Cb 0.03 -0.16 -0.14 0.00 0.21 0.00 0.00 66.02 65.96 1pwh s SER 6 CO 0.12 0.05 1.32 -0.07 0.41 0.00 0.00 173.24 175.06 1pwh h LEU 7 N 6.24 0.00-10.64 2.44 3.38 -1.88 -3.45 115.31 111.39 1pwh h LEU 7 Ca -0.31 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.20 1pwh h LEU 7 Cb 1.18 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.02 1pwh h LEU 7 CO 0.49 0.86 0.20 -1.38 0.09 0.00 0.00 178.44 178.71 1pwh s HIS 8 N -2.78 2.39 0.15 1.13 -3.43 -1.26 -4.83 115.29 106.66 1pwh s HIS 8 Ca 0.02 0.20 0.03 0.00 -0.80 0.00 0.00 55.06 54.51 1pwh s HIS 8 Cb 0.09 -3.25 -0.05 0.00 -1.43 0.00 0.00 32.58 27.95 1pwh s HIS 8 CO 0.80 -1.62 -0.05 0.14 -2.00 0.00 0.00 174.74 172.01 1pwh s VAL 9 N -3.27 0.91 -0.22 -5.38 -7.23 -1.26 -5.05 120.40 98.89 1pwh s VAL 9 Ca 0.63 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 1pwh s VAL 9 Cb -0.08 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1pwh s VAL 9 CO 0.45 -0.65 1.12 -0.54 -0.31 0.00 0.00 175.10 175.17 1pwh s LYS 10 N -3.83 4.22 0.30 4.82 1.02 -1.26 -4.94 119.74 120.08 1pwh s LYS 10 Ca 0.19 1.42 0.02 0.00 0.02 0.00 0.00 55.97 57.63 1pwh s LYS 10 Cb 0.04 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 1pwh s LYS 10 CO 0.01 -0.69 0.47 0.95 -0.92 0.00 0.00 175.35 175.17 1pwh s THR 11 N 3.37 5.17 0.61 2.17 -4.23 -1.26 -5.07 115.64 116.39 1pwh s THR 11 Ca 0.48 -0.68 -0.19 0.00 -1.18 0.00 0.00 61.69 60.12 1pwh s THR 11 Cb -0.17 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 1pwh s THR 11 CO 0.10 -0.46 1.25 -2.84 -0.54 0.00 0.00 174.62 172.13 1pwh s PRO 12 N -4.16 2.81 -0.51 3.99 0.02 -1.26 -4.78 135.00 131.11 1pwh s PRO 12 Ca 0.37 1.94 0.01 0.00 0.02 0.00 0.00 61.00 63.35 1pwh s PRO 12 Cb -0.09 -1.91 0.13 0.00 0.02 0.00 0.00 34.50 32.65 1pwh s PRO 12 CO 0.33 -1.36 0.27 -1.17 -0.33 0.00 0.00 177.00 174.74 1pwh s LEU 13 N -4.16 4.74 0.18 -5.54 2.96 -1.26 -1.15 118.68 114.46 1pwh s LEU 13 Ca 0.79 -2.74 -0.26 0.00 -0.22 0.00 0.00 54.13 51.71 1pwh s LEU 13 Cb -0.34 -1.72 -0.08 0.00 0.50 0.00 0.00 46.19 44.55 1pwh s LEU 13 CO 0.36 -0.32 0.79 -0.60 -1.32 0.00 0.00 176.35 175.26 1pwh s ARG 14 N 0.10 4.59 -0.49 1.98 3.52 0.16 -4.79 118.95 124.01 1pwh s ARG 14 Ca 0.15 1.18 -0.21 0.00 -0.13 0.00 0.00 55.73 56.72 1pwh s ARG 14 Cb -0.23 -3.24 0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1pwh s ARG 14 CO -0.03 0.56 0.73 0.34 -0.81 0.00 0.00 175.30 176.09 1pwh s ASP 15 N -1.18 6.31 -0.38 -2.12 3.68 -1.26 0.48 116.67 122.19 1pwh s ASP 15 Ca 0.37 -0.49 -0.20 0.00 2.13 0.00 0.00 52.55 54.36 1pwh s ASP 15 Cb -0.23 -2.35 0.01 0.00 -1.45 0.00 0.00 42.92 38.90 1pwh s ASP 15 CO 0.27 -0.94 0.59 -0.55 0.13 0.00 0.00 175.17 174.66 1pwh s SER 16 N 2.44 6.35 0.22 -0.34 0.15 -0.53 -4.91 113.70 117.08 1pwh s SER 16 Ca 0.23 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.82 1pwh s SER 16 Cb -0.15 -2.30 0.19 0.00 -1.71 0.00 0.00 66.02 62.05 1pwh s SER 16 CO 0.17 -0.61 1.52 0.24 1.20 0.00 0.00 173.24 175.76 1pwh h MET 17 N 8.60 0.24 0.64 5.44 2.86 -1.95 -2.50 114.93 128.25 1pwh h MET 17 Ca -0.27 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.17 1pwh h MET 17 Cb 1.11 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.81 1pwh h MET 17 CO 0.83 0.81 -0.31 0.00 1.06 0.00 0.00 176.91 179.30 1pwh h ALA 18 N 1.14 -0.86 0.00 6.32 0.00 -1.92 -2.30 119.26 121.65 1pwh h ALA 18 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1pwh h ALA 18 Cb 1.19 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1pwh h ALA 18 CO 0.10 -0.90 -0.47 -0.07 0.00 0.00 0.00 179.25 177.91 1pwh h LEU 19 N -1.01 0.00 -1.27 0.00 4.07 -1.93 -2.54 115.31 112.64 1pwh h LEU 19 Ca -0.09 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.82 1pwh h LEU 19 Cb 0.70 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 1pwh h LEU 19 CO 0.14 0.47 -0.04 0.28 -1.08 0.00 0.00 178.44 178.21 1pwh h SER 20 N 0.00 0.42 -0.34 -0.43 0.02 -1.45 0.49 113.55 112.27 1pwh h SER 20 Ca -0.00 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1pwh h SER 20 Cb 0.95 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1pwh h SER 20 CO 0.06 0.52 -0.11 0.50 -1.14 0.00 0.00 176.83 176.66 1pwh h LYS 21 N 0.43 0.67 -0.38 3.45 3.64 -1.00 -0.64 116.57 122.73 1pwh h LYS 21 Ca 0.09 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 59.07 1pwh h LYS 21 Cb 0.35 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1pwh h LYS 21 CO 0.01 0.85 -0.29 0.28 -2.27 0.00 0.00 179.45 178.04 1pwh h VAL 22 N 0.45 1.28 0.00 2.00 2.07 -1.17 -3.18 116.25 117.69 1pwh h VAL 22 Ca 0.08 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1pwh h VAL 22 Cb 0.62 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1pwh h VAL 22 CO 0.04 0.48 -0.29 0.00 0.02 0.00 0.00 177.57 177.81 1pwh n ALA 23 N -2.51 2.70 -1.23 1.67 0.00 0.12 -4.93 120.51 116.32 1pwh n ALA 23 Ca -0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1pwh n ALA 23 Cb 0.48 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1pwh n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwh n GLY 24 N 1.38 0.95 3.51 0.00 0.00 -0.27 -4.79 105.19 105.97 1pwh n GLY 24 Ca 0.05 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.14 0.00 0.05 2.61 -1.32 -1.10 -5.01 115.64 108.73 1pwh s THR 25 Ca 0.00 0.00 -0.37 0.00 -1.21 0.00 0.00 61.69 60.11 1pwh s THR 25 Cb 0.00 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 69.82 1pwh s THR 25 CO 0.00 0.00 1.38 -0.24 -2.21 0.00 0.00 174.62 173.55 1pwh n SER 26 N 0.76 1.75 -3.98 8.08 2.88 -1.26 -4.40 113.62 117.46 1pwh n SER 26 Ca -0.18 1.11 -0.25 0.00 -1.33 0.00 0.00 58.87 58.22 1pwh n SER 26 Cb 0.58 -1.19 -0.17 0.00 -0.75 0.00 0.00 64.21 62.68 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 0.79 1.04 0.09 2.46 1.01 -1.26 -1.17 120.40 123.37 1pwh s VAL 27 Ca 0.86 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.51 1pwh s VAL 27 Cb -0.96 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1pwh s VAL 27 CO 0.48 0.35 -0.07 -0.36 0.00 0.00 0.00 175.10 175.50 1pwh s PHE 28 N 0.99 2.81 -0.10 5.22 2.99 0.19 -1.45 117.98 128.63 1pwh s PHE 28 Ca -0.09 -0.11 0.03 0.00 0.00 0.00 0.00 56.93 56.76 1pwh s PHE 28 Cb -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 43.02 41.40 1pwh s PHE 28 CO -0.00 0.43 -0.22 -0.51 -0.00 0.00 0.00 175.22 174.92 1pwh s LEU 29 N -2.12 2.01 -0.66 -0.37 1.43 0.18 -0.23 118.68 118.92 1pwh s LEU 29 Ca 0.22 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 1pwh s LEU 29 Cb -0.11 -1.32 0.12 0.00 0.03 0.00 0.00 46.19 44.91 1pwh s LEU 29 CO 0.14 0.12 0.76 -0.75 0.23 0.00 0.00 176.35 176.85 1pwh s LYS 30 N 0.49 3.17 -0.36 1.70 2.47 -0.55 0.35 119.74 127.02 1pwh s LYS 30 Ca -0.16 -1.52 -0.16 0.00 -1.56 0.00 0.00 55.97 52.58 1pwh s LYS 30 Cb -0.17 -4.36 -0.16 0.00 -1.46 0.00 0.00 37.83 31.67 1pwh s LYS 30 CO 0.06 -1.54 1.61 -1.33 0.16 0.00 0.00 175.35 174.32 1pwh n MET 31 N 6.05 0.76 0.00 4.03 2.81 -0.30 -1.97 117.12 128.51 1pwh n MET 31 Ca -0.03 -1.16 0.13 0.00 -1.81 0.00 0.00 57.70 54.83 1pwh n MET 31 Cb 0.44 -2.46 0.71 0.00 -0.71 0.00 0.00 33.22 31.20 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 6.64 0.00 0.14 7.83 9.92 -1.06 -1.83 116.55 138.18 1pwh n ASP 32 Ca 0.35 -0.41 0.12 0.00 -0.53 0.00 0.00 54.79 54.32 1pwh n ASP 32 Cb 0.25 -0.16 0.49 0.00 -0.64 0.00 0.00 41.12 41.06 1pwh n ASP 32 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1pwh h SER 33 N 0.00 0.00 0.78 -2.24 4.64 -1.71 -2.41 113.55 112.61 1pwh h SER 33 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pwh h SER 33 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1pwh h SER 33 CO 0.00 0.00 -0.21 -1.20 -0.87 0.00 0.00 176.83 174.55 1pwh n SER 34 N -2.30 0.21 -4.51 4.97 7.64 -0.76 -4.53 113.62 114.35 1pwh n SER 34 Ca 0.02 0.17 -0.31 0.00 1.01 0.00 0.00 58.87 59.76 1pwh n SER 34 Cb 0.26 -0.18 0.17 0.00 -1.01 0.00 0.00 64.21 63.45 1pwh n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pwh n GLN 35 N -1.49 -0.92 -0.07 1.43 1.13 -0.91 -4.89 117.38 111.66 1pwh n GLN 35 Ca 0.06 -0.22 -0.07 0.00 -1.94 0.00 0.00 57.00 54.84 1pwh n GLN 35 Cb 0.34 -2.09 -0.00 0.00 0.11 0.00 0.00 30.24 28.59 1pwh n GLN 35 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1pwh h PRO 36 N -1.96 -0.10 -0.00 -1.09 0.11 -1.88 -2.39 132.00 124.68 1pwh h PRO 36 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pwh h PRO 36 Cb 1.30 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1pwh h PRO 36 CO 0.40 -0.07 -0.05 -1.13 -0.21 0.00 0.00 178.00 176.94 1pwh n SER 37 N -5.32 0.51 0.00 -2.05 3.41 -1.26 -4.90 113.62 104.00 1pwh n SER 37 Ca 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1pwh n SER 37 Cb 0.23 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 1.19 0.55 3.48 5.00 0.00 -0.90 -4.73 105.19 109.77 1pwh n GLY 38 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.95 -0.16 0.66 1.61 1.04 -1.25 -2.16 113.70 110.48 1pwh s SER 39 Ca 0.00 -0.62 0.41 0.00 0.48 0.00 0.00 55.95 56.21 1pwh s SER 39 Cb 0.00 0.54 2.25 0.00 0.10 0.00 0.00 66.02 68.91 1pwh s SER 39 CO 0.00 -1.02 2.30 2.19 0.98 0.00 0.00 173.24 177.69 1pwh h PHE 40 N 2.29 0.00 -1.31 5.02 -5.15 -1.49 -3.10 116.94 113.20 1pwh h PHE 40 Ca -0.29 0.00 0.38 0.00 -0.20 0.00 0.00 57.97 57.86 1pwh h PHE 40 Cb 1.25 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 37.35 1pwh h PHE 40 CO 0.37 0.00 0.91 0.87 -2.00 0.00 0.00 178.31 178.46 1pwh h LYS 41 N 0.00 0.09 0.00 6.09 1.79 -1.89 -0.90 116.57 121.75 1pwh h LYS 41 Ca 0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1pwh h LYS 41 Cb 0.10 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1pwh h LYS 41 CO -0.00 0.06 -0.08 0.97 -1.08 0.00 0.00 179.45 179.32 1pwh h ILE 42 N 0.09 0.41 0.04 1.86 6.09 -1.88 0.48 117.51 124.59 1pwh h ILE 42 Ca 0.67 -0.42 -0.00 0.00 -1.37 0.00 0.00 64.86 63.74 1pwh h ILE 42 Cb 2.42 1.30 0.00 0.00 0.47 0.00 0.00 36.82 41.01 1pwh h ILE 42 CO -0.13 0.08 -0.02 0.03 -3.07 0.00 0.00 178.15 175.04 1pwh h ARG 43 N 0.00 -0.05 -0.15 2.19 3.08 -1.44 -0.16 114.38 117.85 1pwh h ARG 43 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1pwh h ARG 43 Cb 0.29 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1pwh h ARG 43 CO 0.01 -0.03 -0.42 0.78 -1.07 0.00 0.00 179.97 179.23 1pwh h GLY 44 N -0.05 0.62 1.16 0.04 0.00 -1.69 -2.84 103.07 100.30 1pwh h GLY 44 Ca -0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 47.33 46.46 1pwh h GLY 44 CO 0.01 0.70 0.05 -2.22 0.00 0.00 0.00 176.54 175.08 1pwh h ILE 45 N 0.20 1.26 -0.04 2.60 1.08 -1.03 -1.93 117.51 119.64 1pwh h ILE 45 Ca -0.01 -1.07 -0.06 0.00 -0.39 0.00 0.00 64.86 63.34 1pwh h ILE 45 Cb 1.04 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 1pwh h ILE 45 CO 0.09 0.39 -0.25 1.23 -0.69 0.00 0.00 178.15 178.92 1pwh h GLY 46 N 1.02 0.08 1.22 5.37 0.00 -1.07 -1.52 103.07 108.17 1pwh h GLY 46 Ca 0.18 -0.05 -0.21 0.00 0.00 0.00 0.00 47.33 47.25 1pwh h GLY 46 CO 0.02 0.05 -0.71 0.84 0.00 0.00 0.00 176.54 176.74 1pwh h HIS 47 N 0.07 1.02 -0.03 5.60 -0.00 -1.20 0.43 115.15 121.04 1pwh h HIS 47 Ca 0.01 -0.43 -0.00 0.00 -0.00 0.00 0.00 60.37 59.95 1pwh h HIS 47 Cb 0.49 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1pwh h HIS 47 CO 0.00 1.25 0.00 1.25 -0.00 0.00 0.00 177.93 180.43 1pwh h LEU 48 N 0.55 0.05 0.51 0.26 6.46 -1.02 -1.92 115.31 120.19 1pwh h LEU 48 Ca -0.03 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.45 1pwh h LEU 48 Cb 1.32 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1pwh h LEU 48 CO 0.15 0.30 -0.35 0.00 -0.62 0.00 0.00 178.44 177.92 1pwh h LYS 50 N -0.83 0.49 0.06 0.00 1.63 -0.91 0.45 116.57 117.46 1pwh h LYS 50 Ca -0.06 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1pwh h LYS 50 Cb 0.69 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1pwh h LYS 50 CO 0.04 0.33 -0.03 1.98 -3.45 0.00 0.00 179.45 178.31 1pwh h MET 51 N 0.51 -0.07 0.00 1.90 4.05 -1.06 -1.96 114.93 118.29 1pwh h MET 51 Ca 0.56 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.97 1pwh h MET 51 Cb 1.02 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1pwh h MET 51 CO -0.48 0.36 -0.10 0.87 0.23 0.00 0.00 176.91 177.79 1pwh h LYS 52 N -0.54 0.00 -0.14 0.39 6.56 0.38 -1.54 116.57 121.68 1pwh h LYS 52 Ca -0.01 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.41 1pwh h LYS 52 Cb 0.47 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.14 1pwh h LYS 52 CO 0.01 0.10 -0.58 0.00 -2.06 0.00 0.00 179.45 176.93 1pwh h ALA 53 N 1.90 0.25 0.00 3.86 0.00 -0.06 -2.20 119.26 123.01 1pwh h ALA 53 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1pwh h ALA 53 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pwh h ALA 53 CO 0.01 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.38 1pwh n LYS 54 N -4.13 0.03 0.03 0.00 4.76 -0.74 -1.12 118.16 116.98 1pwh n LYS 54 Ca -0.07 0.32 0.12 0.00 -2.87 0.00 0.00 58.31 55.80 1pwh n LYS 54 Cb 0.64 -1.57 0.20 0.00 -1.84 0.00 0.00 35.03 32.46 1pwh n LYS 54 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1pwh n GLN 55 N -1.63 0.16 0.00 1.97 7.27 -0.64 -4.96 117.38 119.55 1pwh n GLN 55 Ca 0.03 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.13 1pwh n GLN 55 Cb 0.16 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.21 1pwh n GLN 55 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pwh n GLY 56 N 1.41 0.74 3.70 1.69 0.00 -0.28 -5.07 105.19 107.39 1pwh n GLY 56 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.75 0.03 -3.64 0.00 4.76 0.10 -4.82 118.16 112.84 1pwh n LYS 58 Ca 0.16 -0.78 -0.05 0.00 -2.87 0.00 0.00 58.31 54.77 1pwh n LYS 58 Cb 0.48 -1.01 -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 -0.28 -0.61 -0.13 2.13 2.46 -1.13 -4.24 115.29 113.49 1pwh s HIS 59 Ca 0.01 1.27 -0.07 0.00 0.47 0.00 0.00 55.06 56.74 1pwh s HIS 59 Cb 0.01 0.38 -0.04 0.00 -0.13 0.00 0.00 32.58 32.80 1pwh s HIS 59 CO 0.01 -0.30 0.13 -0.06 -2.47 0.00 0.00 174.74 172.05 1pwh s PHE 60 N 1.07 3.54 -0.09 3.88 0.40 -0.98 -1.15 117.98 124.65 1pwh s PHE 60 Ca -0.06 0.47 0.03 0.00 -0.60 0.00 0.00 56.93 56.77 1pwh s PHE 60 Cb -0.04 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.53 1pwh s PHE 60 CO -0.13 0.64 -0.17 0.08 0.70 0.00 0.00 175.22 176.34 1pwh s VAL 61 N -0.78 1.56 -0.03 -0.44 1.01 -0.41 -0.47 120.40 120.84 1pwh s VAL 61 Ca 0.14 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1pwh s VAL 61 Cb -0.12 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1pwh s VAL 61 CO 0.03 0.45 0.02 0.00 0.00 0.00 0.00 175.10 175.60 1pwh s SER 63 N 1.40 6.51 0.16 0.00 1.04 -1.26 -0.22 113.70 121.34 1pwh s SER 63 Ca -0.05 0.62 -0.13 0.00 0.48 0.00 0.00 55.95 56.87 1pwh s SER 63 Cb -0.13 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.72 1pwh s SER 63 CO -0.03 -0.20 0.38 -0.55 0.98 0.00 0.00 173.24 173.82 1pwh s SER 64 N 1.25 -0.10 0.00 7.02 0.15 0.35 -4.35 113.70 118.02 1pwh s SER 64 Ca 0.23 -0.63 0.23 0.00 0.70 0.00 0.00 55.95 56.48 1pwh s SER 64 Cb -0.15 0.48 0.59 0.00 -1.71 0.00 0.00 66.02 65.23 1pwh s SER 64 CO 0.09 -0.93 1.48 0.00 1.20 0.00 0.00 173.24 175.08 1pwh n ALA 65 N -0.25 2.48 0.00 5.45 0.00 -1.26 -4.07 120.51 122.86 1pwh n ALA 65 Ca -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1pwh n ALA 65 Cb 0.63 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 1.29 3.86 0.13 0.00 0.00 -1.26 -4.77 105.19 104.45 1pwh n GLY 66 Ca 0.17 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 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 0.19 0.49 0.20 1.61 2.35 -1.97 0.05 115.58 118.50 1pwh h ASN 67 Ca 0.00 -0.83 -0.07 0.00 -0.55 0.00 0.00 56.30 54.85 1pwh h ASN 67 Cb 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1pwh h ASN 67 CO 0.00 1.26 -0.28 0.00 -1.65 0.00 0.00 177.43 176.77 1pwh h ALA 68 N 0.23 1.40 -0.35 -0.83 0.00 -1.94 -1.44 119.26 116.33 1pwh h ALA 68 Ca -0.09 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 1pwh h ALA 68 Cb 1.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1pwh h ALA 68 CO 0.12 0.43 -0.39 0.78 0.00 0.00 0.00 179.25 180.20 1pwh h GLY 69 N 0.95 0.93 0.97 0.00 0.00 -1.89 -0.86 103.07 103.16 1pwh h GLY 69 Ca 0.02 -0.94 -0.07 0.00 0.00 0.00 0.00 47.33 46.34 1pwh h GLY 69 CO 0.04 0.85 0.01 -0.33 0.00 0.00 0.00 176.54 177.11 1pwh h MET 70 N 0.70 0.76 -0.80 4.80 2.07 -0.57 -0.52 114.93 121.37 1pwh h MET 70 Ca 0.06 -0.23 -0.01 0.00 -2.07 0.00 0.00 59.70 57.45 1pwh h MET 70 Cb 0.96 -0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 30.58 1pwh h MET 70 CO 0.09 0.82 0.47 0.00 1.07 0.00 0.00 176.91 179.36 1pwh h ALA 71 N 0.91 1.33 -0.15 6.32 0.00 -1.14 -0.01 119.26 126.52 1pwh h ALA 71 Ca 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1pwh h ALA 71 Cb 0.47 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pwh h ALA 71 CO 0.02 0.57 -0.13 1.15 0.00 0.00 0.00 179.25 180.86 1pwh h THR 72 N 1.10 1.34 -0.69 0.00 2.02 -0.92 -1.22 112.91 114.54 1pwh h THR 72 Ca 0.29 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.18 1pwh h THR 72 Cb -0.03 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1pwh h THR 72 CO -0.05 0.37 0.34 0.00 0.37 0.00 0.00 175.52 176.55 1pwh h ALA 73 N 0.62 1.29 -0.21 6.16 0.00 -0.75 -0.19 119.26 126.19 1pwh h ALA 73 Ca 0.03 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1pwh h ALA 73 Cb 0.65 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1pwh h ALA 73 CO 0.03 0.55 -0.58 -0.92 0.00 0.00 0.00 179.25 178.34 1pwh h TYR 74 N 0.98 0.84 -0.38 0.00 3.20 -0.96 -2.33 116.97 118.32 1pwh h TYR 74 Ca 0.24 -0.31 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 1pwh h TYR 74 Cb 0.09 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1pwh h TYR 74 CO 0.01 1.08 -0.05 0.00 -1.64 0.00 0.00 178.16 177.56 1pwh h ALA 75 N 0.85 0.52 -0.14 1.82 0.00 -0.84 -2.67 119.26 118.80 1pwh h ALA 75 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1pwh h ALA 75 Cb 1.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1pwh h ALA 75 CO 0.11 0.34 -0.07 0.00 0.00 0.00 0.00 179.25 179.63 1pwh h ALA 76 N 0.85 0.05 -0.12 0.00 0.00 -0.95 0.68 119.26 119.78 1pwh h ALA 76 Ca 0.10 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1pwh h ALA 76 Cb 0.54 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1pwh h ALA 76 CO 0.03 -0.52 -0.08 -0.09 0.00 0.00 0.00 179.25 178.59 1pwh h ARG 77 N -0.06 -0.09 -0.26 0.00 2.43 -1.40 0.24 114.38 115.25 1pwh h ARG 77 Ca 0.08 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1pwh h ARG 77 Cb 0.18 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1pwh h ARG 77 CO -0.18 -0.06 0.14 0.00 -1.51 0.00 0.00 179.97 178.36 1pwh h ARG 78 N -0.09 0.35 -0.42 0.20 2.47 -1.11 0.14 114.38 115.92 1pwh h ARG 78 Ca 0.08 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1pwh h ARG 78 Cb 0.20 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1pwh h ARG 78 CO -0.18 0.27 0.00 1.28 0.56 0.00 0.00 179.97 181.90 1pwh n LEU 79 N -4.46 2.50 -3.85 3.04 4.77 0.20 -4.94 117.00 114.25 1pwh n LEU 79 Ca 0.01 -1.21 -0.26 0.00 -0.03 0.00 0.00 56.01 54.52 1pwh n LEU 79 Cb 0.10 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1pwh n LEU 79 CO 0.35 0.60 -0.04 0.61 -1.33 0.00 0.00 177.39 177.58 1pwh n GLY 80 N 1.27 -0.35 3.21 -0.72 0.00 0.59 -5.00 105.19 104.19 1pwh n GLY 80 Ca 0.16 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.19 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 -6.96 2.45 0.82 0.99 1.43 0.24 -5.01 118.68 112.62 1pwh s LEU 81 Ca 0.26 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 1pwh s LEU 81 Cb -0.13 -0.34 0.08 0.00 0.03 0.00 0.00 46.19 45.83 1pwh s LEU 81 CO 0.84 -0.27 1.09 -2.84 0.23 0.00 0.00 176.35 175.40 1pwh s PRO 82 N -3.10 1.92 -0.24 1.29 0.02 -1.26 -4.06 135.00 129.57 1pwh s PRO 82 Ca 0.09 0.81 -0.20 0.00 0.02 0.00 0.00 61.00 61.73 1pwh s PRO 82 Cb -0.01 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.69 1pwh s PRO 82 CO 0.00 -1.78 0.62 0.00 -0.33 0.00 0.00 177.00 175.52 1pwh s ALA 83 N -3.03 -1.57 -0.08 -1.55 0.00 -1.26 -2.32 121.76 111.95 1pwh s ALA 83 Ca 0.61 1.87 0.03 0.00 0.00 0.00 0.00 51.96 54.47 1pwh s ALA 83 Cb -0.16 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.87 1pwh s ALA 83 CO 0.55 -0.31 -0.18 0.99 0.00 0.00 0.00 175.76 176.81 1pwh s THR 84 N 0.66 1.60 -0.22 0.00 2.01 0.38 -0.79 115.64 119.28 1pwh s THR 84 Ca -0.03 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 1pwh s THR 84 Cb -0.05 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 71.07 1pwh s THR 84 CO -0.04 0.46 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.63 1pwh s ILE 85 N 0.46 2.81 -0.28 1.82 -1.09 0.18 -1.68 121.20 123.42 1pwh s ILE 85 Ca -0.16 -0.86 -0.16 0.00 -2.23 0.00 0.00 60.65 57.24 1pwh s ILE 85 Cb -0.17 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.36 1pwh s ILE 85 CO 0.06 0.35 0.44 -0.69 -1.23 0.00 0.00 174.94 173.87 1pwh s VAL 86 N 1.36 5.11 0.06 2.92 1.01 0.69 -1.38 120.40 130.18 1pwh s VAL 86 Ca 0.03 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.66 1pwh s VAL 86 Cb -0.15 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1pwh s VAL 86 CO -0.06 0.06 -0.15 0.54 0.00 0.00 0.00 175.10 175.48 1pwh s VAL 87 N 2.20 1.19 0.69 2.92 0.11 -0.15 -0.49 120.40 126.87 1pwh s VAL 87 Ca 0.17 -1.22 -0.12 0.00 -2.93 0.00 0.00 61.98 57.89 1pwh s VAL 87 Cb -0.16 -1.11 0.01 0.00 -1.53 0.00 0.00 36.38 33.60 1pwh s VAL 87 CO 0.10 -0.11 1.07 -2.16 -3.33 0.00 0.00 175.10 170.67 1pwh s PRO 88 N -1.53 2.86 0.65 1.54 0.04 -1.26 -1.16 135.00 136.14 1pwh s PRO 88 Ca 0.00 1.06 0.35 0.00 0.04 0.00 0.00 61.00 62.45 1pwh s PRO 88 Cb -0.09 -1.98 1.92 0.00 0.04 0.00 0.00 34.50 34.39 1pwh s PRO 88 CO 0.02 -1.17 2.08 0.66 0.04 0.00 0.00 177.00 178.63 1pwh h SER 89 N -0.58 0.00 0.79 6.66 4.64 0.41 -0.84 113.55 124.63 1pwh h SER 89 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1pwh h SER 89 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1pwh h SER 89 CO 0.56 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.87 1pwh n THR 90 N -2.93 0.70 -2.44 2.95 -2.24 -1.26 -4.77 114.28 104.30 1pwh n THR 90 Ca -0.02 0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 1pwh n THR 90 Cb 0.25 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.56 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 -3.10 4.01 0.19 4.28 -1.32 -0.32 -4.97 115.64 114.40 1pwh s THR 91 Ca 0.08 1.49 -0.33 0.00 -1.21 0.00 0.00 61.69 61.72 1pwh s THR 91 Cb 0.12 -3.95 -0.14 0.00 -1.51 0.00 0.00 72.50 67.01 1pwh s THR 91 CO 0.40 0.14 1.42 -2.65 -2.21 0.00 0.00 174.62 171.72 1pwh n PRO 92 N 3.67 1.85 -0.27 7.08 -0.02 -1.26 -4.85 135.00 141.20 1pwh n PRO 92 Ca 0.08 0.66 0.11 0.00 -2.02 0.00 0.00 63.50 62.33 1pwh n PRO 92 Cb 0.46 -2.33 0.37 0.00 -0.02 0.00 0.00 33.50 31.98 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 4.70 1.80 0.00 3.55 0.00 -1.94 0.12 119.26 127.49 1pwh h ALA 93 Ca -0.45 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1pwh h ALA 93 Cb 1.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pwh h ALA 93 CO 0.79 -0.03 -0.16 1.25 0.00 0.00 0.00 179.25 181.11 1pwh h LEU 94 N 0.72 0.00 0.03 0.00 7.12 -1.99 -1.04 115.31 120.14 1pwh h LEU 94 Ca 0.44 0.00 -0.23 0.00 0.13 0.00 0.00 57.88 58.22 1pwh h LEU 94 Cb 0.66 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.77 1pwh h LEU 94 CO -0.20 0.16 -1.13 0.74 -0.13 0.00 0.00 178.44 177.88 1pwh h THR 95 N 0.00 1.58 0.34 1.05 2.02 -1.13 -2.57 112.91 114.20 1pwh h THR 95 Ca -0.00 -3.28 -0.02 0.00 0.77 0.00 0.00 66.41 63.89 1pwh h THR 95 Cb 0.31 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1pwh h THR 95 CO 0.02 0.91 -0.17 0.40 0.37 0.00 0.00 175.52 177.06 1pwh h ILE 96 N 0.02 0.67 -0.65 3.11 1.08 -0.06 -0.42 117.51 121.25 1pwh h ILE 96 Ca -0.07 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1pwh h ILE 96 Cb 1.84 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 36.30 1pwh h ILE 96 CO 0.14 0.03 0.43 -0.33 -0.69 0.00 0.00 178.15 177.73 1pwh h GLU 97 N -0.53 0.85 -0.71 2.37 4.39 -1.40 -1.79 114.58 117.76 1pwh h GLU 97 Ca -0.05 -0.05 0.12 0.00 0.34 0.00 0.00 59.36 59.72 1pwh h GLU 97 Cb 0.40 -0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 28.78 1pwh h GLU 97 CO 0.08 0.56 0.30 -0.09 -1.16 0.00 0.00 179.01 178.70 1pwh h ARG 98 N 0.87 0.47 0.14 2.33 9.65 -1.19 0.15 114.38 126.80 1pwh h ARG 98 Ca 0.24 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 1pwh h ARG 98 Cb -0.09 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 1pwh h ARG 98 CO -0.06 0.31 -0.14 -0.07 2.80 0.00 0.00 179.97 182.81 1pwh h LEU 99 N 0.48 -0.36 -0.78 3.80 4.07 -0.28 -2.55 115.31 119.69 1pwh h LEU 99 Ca 0.37 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.45 1pwh h LEU 99 Cb 0.49 0.13 -0.07 0.00 1.08 0.00 0.00 40.66 42.29 1pwh h LEU 99 CO -0.34 -0.21 0.45 0.11 -1.08 0.00 0.00 178.44 177.37 1pwh h LYS 100 N -0.30 0.75 0.00 1.13 1.57 -0.42 -1.24 116.57 118.05 1pwh h LYS 100 Ca 0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1pwh h LYS 100 Cb 0.29 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1pwh h LYS 100 CO -0.04 0.49 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.41 1pwh h ASN 101 N 0.77 0.00 0.14 0.86 2.35 -0.34 0.60 115.58 119.96 1pwh h ASN 101 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1pwh h ASN 101 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1pwh h ASN 101 CO -0.23 0.02 0.00 -0.62 -1.65 0.00 0.00 177.43 174.95 1pwh n GLU 102 N -3.92 0.71 -0.30 0.81 -0.58 -0.48 -4.85 120.64 112.03 1pwh n GLU 102 Ca -0.03 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1pwh n GLU 102 Cb 0.11 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 0.75 0.81 3.94 0.62 0.00 0.21 -4.71 105.19 106.82 1pwh n GLY 103 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.12 3.70 -0.14 4.61 0.00 -1.18 -4.72 121.76 121.91 1pwh s ALA 104 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 1pwh s ALA 104 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 1pwh s ALA 104 CO 0.00 -0.23 0.17 0.99 0.00 0.00 0.00 175.76 176.69 1pwh s THR 105 N -2.48 5.42 -0.04 0.00 2.01 0.03 -4.08 115.64 116.50 1pwh s THR 105 Ca 0.45 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1pwh s THR 105 Cb -0.10 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1pwh s THR 105 CO 0.38 0.54 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.07 1pwh s VAL 106 N -0.49 3.53 -0.17 3.82 1.01 -1.26 0.51 120.40 127.35 1pwh s VAL 106 Ca 0.14 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1pwh s VAL 106 Cb -0.12 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1pwh s VAL 106 CO 0.03 0.54 -0.04 -0.70 0.00 0.00 0.00 175.10 174.92 1pwh s GLU 107 N -0.96 1.37 -0.03 2.72 2.56 -0.48 -4.94 118.70 118.93 1pwh s GLU 107 Ca 0.13 -0.54 -0.15 0.00 0.00 0.00 0.00 54.97 54.41 1pwh s GLU 107 Cb -0.11 -2.05 -0.05 0.00 2.00 0.00 0.00 34.13 33.91 1pwh s GLU 107 CO 0.03 -0.46 0.41 0.08 -0.56 0.00 0.00 175.26 174.75 1pwh s VAL 108 N 1.64 5.08 -0.33 3.70 1.01 -1.26 -0.97 120.40 129.26 1pwh s VAL 108 Ca -0.00 0.83 0.04 0.00 0.00 0.00 0.00 61.98 62.85 1pwh s VAL 108 Cb -0.16 -3.72 0.17 0.00 0.00 0.00 0.00 36.38 32.67 1pwh s VAL 108 CO -0.08 0.52 0.46 0.54 0.00 0.00 0.00 175.10 176.55 1pwh s VAL 109 N -0.67 -0.67 0.23 2.92 0.11 -0.31 -4.94 120.40 117.07 1pwh s VAL 109 Ca 0.23 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 1pwh s VAL 109 Cb -0.16 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1pwh s VAL 109 CO 0.12 -0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.23 1pwh n GLY 110 N 4.96 -1.54 0.00 6.54 0.00 -1.26 -4.46 105.19 109.42 1pwh n GLY 110 Ca 0.05 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.48 0.50 -2.87 1.61 0.28 -1.26 0.99 120.64 116.41 1pwh n GLU 111 Ca 0.01 -0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.56 1pwh n GLU 111 Cb 0.45 -1.44 -0.04 0.00 1.43 0.00 0.00 31.44 31.85 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 -2.94 4.25 0.56 3.44 -1.94 -1.26 -4.84 119.30 116.57 1pwh s MET 112 Ca 0.05 1.02 0.27 0.00 -1.71 0.00 0.00 55.69 55.33 1pwh s MET 112 Cb 0.15 -3.61 1.49 0.00 2.01 0.00 0.00 34.83 34.87 1pwh s MET 112 CO 0.82 -0.43 1.99 1.25 -0.01 0.00 0.00 175.02 178.64 1pwh h LEU 113 N 8.76 0.00 -1.09 -0.03 6.46 -1.92 0.75 115.31 128.24 1pwh h LEU 113 Ca -0.26 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.46 1pwh h LEU 113 Cb 1.11 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.01 1pwh h LEU 113 CO 0.86 0.00 0.22 0.44 -0.62 0.00 0.00 178.44 179.34 1pwh h ASP 114 N 0.00 0.79 0.19 1.25 3.32 -1.95 -1.06 116.42 118.96 1pwh h ASP 114 Ca 0.20 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 1pwh h ASP 114 Cb 0.95 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1pwh h ASP 114 CO -0.00 0.73 -0.48 -0.08 -1.72 0.00 0.00 179.24 177.69 1pwh h GLU 115 N 0.85 0.34 -0.01 3.56 4.81 -1.18 0.13 114.58 123.10 1pwh h GLU 115 Ca 0.20 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 1pwh h GLU 115 Cb 0.19 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1pwh h GLU 115 CO -0.02 0.75 -0.66 0.00 -0.73 0.00 0.00 179.01 178.35 1pwh h ALA 116 N 1.22 0.89 -0.04 2.92 0.00 -1.32 -1.29 119.26 121.64 1pwh h ALA 116 Ca 0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 1pwh h ALA 116 Cb 0.94 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1pwh h ALA 116 CO 0.08 0.82 -0.41 0.82 0.00 0.00 0.00 179.25 180.56 1pwh h ILE 117 N 0.02 1.44 -0.25 0.00 2.04 -0.94 -2.37 117.51 117.45 1pwh h ILE 117 Ca -0.01 -1.88 0.05 0.00 1.00 0.00 0.00 64.86 64.02 1pwh h ILE 117 Cb 1.18 2.47 -0.05 0.00 -0.74 0.00 0.00 36.82 39.68 1pwh h ILE 117 CO 0.09 0.54 -0.07 -0.61 0.00 0.00 0.00 178.15 178.10 1pwh h GLN 118 N -0.18 -0.01 -0.18 2.37 4.15 -0.65 -0.07 115.11 120.56 1pwh h GLN 118 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1pwh h GLN 118 Cb 1.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1pwh h GLN 118 CO 0.08 -0.00 0.06 1.25 -1.93 0.00 0.00 178.83 178.29 1pwh h LEU 119 N -0.01 0.25 -1.18 -2.39 5.85 -1.31 -1.22 115.31 115.31 1pwh h LEU 119 Ca 0.12 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1pwh h LEU 119 Cb 0.19 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1pwh h LEU 119 CO -0.26 0.37 0.58 0.00 -0.34 0.00 0.00 178.44 178.79 1pwh h ALA 120 N 0.89 1.59 0.00 1.25 0.00 -1.05 0.41 119.26 122.36 1pwh h ALA 120 Ca 0.06 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1pwh h ALA 120 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1pwh h ALA 120 CO -0.00 0.24 -0.88 0.87 0.00 0.00 0.00 179.25 179.48 1pwh h LYS 121 N 0.93 0.21 -0.62 0.00 1.57 -0.89 -2.20 116.57 115.58 1pwh h LYS 121 Ca 0.41 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1pwh h LYS 121 Cb 0.34 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1pwh h LYS 121 CO -0.17 0.96 0.24 0.00 -0.57 0.00 0.00 179.45 179.91 1pwh h ALA 122 N 0.95 1.26 -0.36 3.86 0.00 0.05 0.02 119.26 125.04 1pwh h ALA 122 Ca -0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1pwh h ALA 122 Cb 1.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1pwh h ALA 122 CO 0.14 0.54 -0.12 -0.07 0.00 0.00 0.00 179.25 179.74 1pwh h LEU 123 N 0.89 0.73 -1.02 0.00 3.38 -0.84 -0.86 115.31 117.60 1pwh h LEU 123 Ca 0.21 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1pwh h LEU 123 Cb 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1pwh h LEU 123 CO -0.02 0.94 0.33 -0.08 0.09 0.00 0.00 178.44 179.71 1pwh h GLU 124 N 0.52 1.03 0.00 1.13 4.81 -0.77 -2.42 114.58 118.88 1pwh h GLU 124 Ca 0.09 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 1pwh h GLU 124 Cb 0.64 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1pwh h GLU 124 CO 0.04 0.81 -0.69 -0.22 -0.73 0.00 0.00 179.01 178.22 1pwh h LYS 125 N 1.02 0.00 -0.46 1.92 3.64 -0.84 -3.31 116.57 118.55 1pwh h LYS 125 Ca 0.25 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.42 1pwh h LYS 125 Cb 0.12 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.82 1pwh h LYS 125 CO -0.03 0.69 0.06 0.09 -2.27 0.00 0.00 179.45 177.99 1pwh n ASN 126 N -3.52 3.02 -3.29 4.20 3.02 -0.34 -4.85 115.26 113.49 1pwh n ASN 126 Ca -0.00 -3.60 -0.09 0.00 -0.03 0.00 0.00 54.58 50.86 1pwh n ASN 126 Cb 0.72 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 39.18 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 -2.17 0.08 0.07 6.41 0.01 -0.94 -4.99 114.94 113.41 1pwh s ASN 127 Ca 0.47 -0.85 -0.37 0.00 -0.71 0.00 0.00 52.86 51.40 1pwh s ASN 127 Cb 0.41 1.18 -0.18 0.00 0.41 0.00 0.00 41.25 43.06 1pwh s ASN 127 CO 0.04 -0.28 1.05 -2.65 -1.51 0.00 0.00 177.10 173.75 1pwh n PRO 128 N 4.77 0.38 0.00 -0.60 -0.02 -1.26 -0.80 135.00 137.47 1pwh n PRO 128 Ca 0.07 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1pwh n PRO 128 Cb 0.50 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.83 3.32 3.73 -1.23 0.00 -1.26 -4.87 105.19 106.71 1pwh n GLY 129 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.29 3.69 -0.07 1.61 0.52 0.02 0.02 118.94 122.45 1pwh s TRP 130 Ca 0.00 1.68 0.04 0.00 0.02 0.00 0.00 56.10 57.84 1pwh s TRP 130 Cb 0.00 -3.18 0.00 0.00 -1.15 0.00 0.00 33.47 29.14 1pwh s TRP 130 CO 0.00 -0.26 -0.18 0.08 0.02 0.00 0.00 176.95 176.60 1pwh s VAL 131 N -0.12 1.58 0.05 4.03 1.01 -0.30 -4.76 120.40 121.89 1pwh s VAL 131 Ca 0.48 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1pwh s VAL 131 Cb -0.27 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1pwh s VAL 131 CO 0.32 0.45 0.87 -0.47 0.00 0.00 0.00 175.10 176.28 1pwh s TYR 132 N 0.30 3.73 -0.33 5.22 6.14 -1.26 -1.29 117.35 129.87 1pwh s TYR 132 Ca -0.12 1.62 -0.02 0.00 0.64 0.00 0.00 57.07 59.19 1pwh s TYR 132 Cb -0.15 -2.96 0.07 0.00 0.42 0.00 0.00 41.96 39.33 1pwh s TYR 132 CO 0.05 0.18 0.05 0.42 0.64 0.00 0.00 175.55 176.88 1pwh s ILE 133 N 0.26 3.04 0.54 3.14 -1.09 0.14 -4.93 121.20 122.30 1pwh s ILE 133 Ca 0.44 -1.58 -0.20 0.00 -2.23 0.00 0.00 60.65 57.08 1pwh s ILE 133 Cb -0.21 -2.85 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 1pwh s ILE 133 CO 0.26 -0.27 1.21 -0.55 -1.23 0.00 0.00 174.94 174.36 1pwh s SER 134 N 1.37 5.54 0.15 3.58 0.15 -1.26 -4.05 113.70 119.17 1pwh s SER 134 Ca -0.01 2.39 0.23 0.00 0.70 0.00 0.00 55.95 59.26 1pwh s SER 134 Cb -0.20 -2.60 0.90 0.00 -1.71 0.00 0.00 66.02 62.41 1pwh s SER 134 CO -0.02 -1.36 1.72 -2.65 1.20 0.00 0.00 173.24 172.13 1pwh n PRO 135 N -1.18 0.15 0.00 5.44 -0.02 -1.26 -4.70 135.00 133.43 1pwh n PRO 135 Ca 0.11 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1pwh n PRO 135 Cb 0.49 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1pwh n PRO 135 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1pwh n PHE 136 N -1.99 -0.69 -3.59 6.00 1.16 -1.26 -4.90 117.46 112.19 1pwh n PHE 136 Ca 0.04 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.21 1pwh n PHE 136 Cb 0.29 0.15 -0.11 0.00 -1.61 0.00 0.00 39.48 38.20 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 -1.45 5.73 -0.29 5.98 3.84 -1.26 -4.36 116.67 124.86 1pwh s ASP 137 Ca 0.00 -1.12 -0.16 0.00 -0.00 0.00 0.00 52.55 51.27 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 -0.43 1.01 -0.62 -0.00 0.00 0.00 175.17 175.13 1pwh s ASP 138 N 1.71 -0.47 0.56 2.11 3.68 -1.26 -4.90 116.67 118.10 1pwh s ASP 138 Ca 0.02 0.72 0.32 0.00 2.13 0.00 0.00 52.55 55.74 1pwh s ASP 138 Cb -0.20 1.30 1.47 0.00 -1.45 0.00 0.00 42.92 44.04 1pwh s ASP 138 CO 0.06 -0.11 1.84 1.55 0.13 0.00 0.00 175.17 178.64 1pwh h PRO 139 N 6.34 0.00 -0.62 4.34 0.13 -2.00 0.01 132.00 140.20 1pwh h PRO 139 Ca -0.24 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 1pwh h PRO 139 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1pwh h PRO 139 CO 0.17 0.00 0.24 -0.07 -0.23 0.00 0.00 178.00 178.11 1pwh h LEU 140 N 0.00 0.86 0.18 1.56 -0.00 -1.96 0.16 115.31 116.12 1pwh h LEU 140 Ca 0.41 -0.17 0.01 0.00 -0.00 0.00 0.00 57.88 58.13 1pwh h LEU 140 Cb 1.78 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 42.20 1pwh h LEU 140 CO -0.00 0.80 -0.22 0.40 -0.00 0.00 0.00 178.44 179.42 1pwh h ILE 141 N 0.87 0.52 -0.58 1.22 1.08 -1.15 -1.24 117.51 118.23 1pwh h ILE 141 Ca 0.21 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.70 1pwh h ILE 141 Cb 0.21 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.45 1pwh h ILE 141 CO -0.02 0.00 0.36 -0.50 -0.69 0.00 0.00 178.15 177.30 1pwh h TRP 142 N -0.45 0.67 -0.51 1.37 6.55 -1.31 -1.46 115.95 120.81 1pwh h TRP 142 Ca 0.01 0.02 0.08 0.00 0.95 0.00 0.00 58.89 59.95 1pwh h TRP 142 Cb 0.43 -0.22 -0.07 0.00 -0.86 0.00 0.00 29.16 28.45 1pwh h TRP 142 CO -0.17 0.39 0.12 1.49 -1.05 0.00 0.00 178.44 179.21 1pwh h GLU 143 N 0.71 0.26 -0.22 0.49 4.57 -0.39 -1.84 114.58 118.16 1pwh h GLU 143 Ca 0.23 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1pwh h GLU 143 Cb 0.02 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1pwh h GLU 143 CO -0.10 0.17 0.13 0.78 -1.18 0.00 0.00 179.01 178.82 1pwh h GLY 144 N 0.27 0.32 1.66 1.92 0.00 -0.57 -2.29 103.07 104.38 1pwh h GLY 144 Ca 0.25 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.49 1pwh h GLY 144 CO -0.31 0.13 0.13 0.45 0.00 0.00 0.00 176.54 176.94 1pwh h HIS 145 N 0.27 0.00 -1.04 5.60 3.86 -0.75 -2.33 115.15 120.77 1pwh h HIS 145 Ca 0.08 0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.56 1pwh h HIS 145 Cb 0.02 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.41 1pwh h HIS 145 CO -0.05 0.00 0.68 1.15 0.86 0.00 0.00 177.93 180.57 1pwh h THR 146 N 0.00 0.53 -1.01 2.45 2.02 -0.74 -0.78 112.91 115.37 1pwh h THR 146 Ca 0.06 -0.12 0.25 0.00 0.77 0.00 0.00 66.41 67.37 1pwh h THR 146 Cb 0.33 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 66.81 1pwh h THR 146 CO -0.00 0.06 0.65 0.77 0.37 0.00 0.00 175.52 177.38 1pwh h SER 147 N 0.34 0.45 -0.61 4.18 4.64 -1.56 -0.38 113.55 120.60 1pwh h SER 147 Ca 0.57 0.07 0.04 0.00 -0.47 0.00 0.00 61.79 62.01 1pwh h SER 147 Cb 1.56 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.60 1pwh h SER 147 CO -0.25 0.11 0.35 0.25 -0.87 0.00 0.00 176.83 176.43 1pwh h LEU 148 N 0.41 0.54 -0.49 5.97 6.46 -1.37 -1.38 115.31 125.46 1pwh h LEU 148 Ca 0.57 0.02 -0.17 0.00 -0.12 0.00 0.00 57.88 58.17 1pwh h LEU 148 Cb 1.41 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.24 1pwh h LEU 148 CO -0.27 0.37 -0.63 0.58 -0.62 0.00 0.00 178.44 177.86 1pwh h VAL 149 N 0.67 1.35 -0.94 1.05 2.07 -1.24 -2.64 116.25 116.58 1pwh h VAL 149 Ca 0.26 -1.96 0.02 0.00 0.82 0.00 0.00 66.70 65.84 1pwh h VAL 149 Cb 0.10 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1pwh h VAL 149 CO -0.14 0.60 0.62 0.11 0.02 0.00 0.00 177.57 178.78 1pwh h LYS 150 N 0.33 1.20 -0.32 1.57 1.57 -1.15 -0.55 116.57 119.22 1pwh h LYS 150 Ca -0.01 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1pwh h LYS 150 Cb 1.18 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1pwh h LYS 150 CO 0.11 0.79 -0.09 0.93 -0.57 0.00 0.00 179.45 180.62 1pwh h GLU 151 N 1.23 0.53 -0.33 3.15 5.08 -1.06 -1.99 114.58 121.20 1pwh h GLU 151 Ca 0.36 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.40 1pwh h GLU 151 Cb -0.08 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1pwh h GLU 151 CO -0.09 0.63 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.00 1pwh h LEU 152 N 0.50 0.98 -0.48 1.33 3.38 -0.94 -2.37 115.31 117.71 1pwh h LEU 152 Ca 0.10 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1pwh h LEU 152 Cb 0.46 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1pwh h LEU 152 CO 0.02 1.29 0.30 0.50 0.09 0.00 0.00 178.44 180.64 1pwh h LYS 153 N 0.71 0.58 0.00 1.13 1.63 -0.81 0.24 116.57 120.05 1pwh h LYS 153 Ca 0.04 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pwh h LYS 153 Cb 1.07 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1pwh h LYS 153 CO 0.11 0.39 0.00 1.05 -3.45 0.00 0.00 179.45 177.55 1pwh h GLU 154 N 0.60 0.00 0.03 1.90 4.11 -1.35 -3.34 114.58 116.53 1pwh h GLU 154 Ca 0.18 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.24 1pwh h GLU 154 Cb -0.02 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 1pwh h GLU 154 CO -0.07 0.00 -2.29 2.41 0.07 0.00 0.00 179.01 179.13 1pwh n THR 155 N -2.85 1.54 -2.64 -1.06 -1.04 -0.90 -4.96 114.28 102.38 1pwh n THR 155 Ca 0.04 -0.67 -0.38 0.00 -2.04 0.00 0.00 64.05 61.00 1pwh n THR 155 Cb 0.45 -1.26 -0.05 0.00 -1.82 0.00 0.00 70.33 67.65 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 -6.39 4.34 0.12 -4.42 1.43 0.81 -4.97 118.68 109.60 1pwh s LEU 156 Ca -0.25 1.99 -0.06 0.00 -1.03 0.00 0.00 54.13 54.79 1pwh s LEU 156 Cb 0.08 -3.97 -0.13 0.00 0.03 0.00 0.00 46.19 42.20 1pwh s LEU 156 CO 0.70 -0.21 1.28 0.28 0.23 0.00 0.00 176.35 178.63 1pwh h SER 157 N 3.15 0.61 -4.61 2.29 0.02 -1.89 -3.47 113.55 109.65 1pwh h SER 157 Ca -0.47 -0.49 -0.23 0.00 -0.84 0.00 0.00 61.79 59.76 1pwh h SER 157 Cb 1.20 -0.19 -0.15 0.00 0.14 0.00 0.00 62.40 63.41 1pwh h SER 157 CO 0.65 1.29 -0.69 0.00 -1.14 0.00 0.00 176.83 176.94 1pwh s ALA 158 N -3.26 1.02 0.35 3.77 0.00 -1.26 -5.13 121.76 117.25 1pwh s ALA 158 Ca -0.07 -1.38 -0.28 0.00 0.00 0.00 0.00 51.96 50.23 1pwh s ALA 158 Cb 0.08 0.22 -0.10 0.00 0.00 0.00 0.00 23.12 23.32 1pwh s ALA 158 CO 0.88 -0.25 1.28 -1.59 0.00 0.00 0.00 175.76 176.08 1pwh s LYS 159 N -3.85 4.27 0.98 0.00 -2.85 -1.26 -4.99 119.74 112.04 1pwh s LYS 159 Ca 0.13 2.14 -0.12 0.00 -1.00 0.00 0.00 55.97 57.12 1pwh s LYS 159 Cb 0.05 -2.98 0.18 0.00 -2.06 0.00 0.00 37.83 33.02 1pwh s LYS 159 CO -0.04 -0.23 1.08 -1.25 0.10 0.00 0.00 175.35 175.02 1pwh s PRO 160 N -1.91 0.60 0.25 1.78 0.04 -1.26 -4.86 135.00 129.64 1pwh s PRO 160 Ca 0.51 0.84 0.13 0.00 0.04 0.00 0.00 61.00 62.52 1pwh s PRO 160 Cb -0.38 -1.73 0.11 0.00 0.04 0.00 0.00 34.50 32.53 1pwh s PRO 160 CO 0.50 -2.70 1.45 0.78 0.04 0.00 0.00 177.00 177.07 1pwh h GLY 161 N -1.88 0.00 -3.21 0.56 0.00 -1.12 -3.46 103.07 93.95 1pwh h GLY 161 Ca -0.52 0.00 0.31 0.00 0.00 0.00 0.00 47.33 47.12 1pwh h GLY 161 CO 0.53 0.00 0.85 0.00 0.00 0.00 0.00 176.54 177.92 1pwh s ALA 162 N -3.03 -2.21 -0.05 3.60 0.00 -1.26 -4.19 121.76 114.61 1pwh s ALA 162 Ca 0.02 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.11 1pwh s ALA 162 Cb 0.09 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1pwh s ALA 162 CO 0.76 -0.87 -0.08 0.96 0.00 0.00 0.00 175.76 176.53 1pwh s ILE 163 N -2.35 0.81 -0.08 0.00 -5.25 -0.80 -0.87 121.20 112.67 1pwh s ILE 163 Ca 0.13 -0.29 -0.08 0.00 -0.99 0.00 0.00 60.65 59.42 1pwh s ILE 163 Cb 0.03 -0.78 -0.04 0.00 2.95 0.00 0.00 42.46 44.61 1pwh s ILE 163 CO -0.04 0.29 0.20 -0.69 -1.79 0.00 0.00 174.94 172.90 1pwh s VAL 164 N 0.81 5.41 0.01 8.37 1.01 0.34 -1.46 120.40 134.90 1pwh s VAL 164 Ca -0.12 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 1pwh s VAL 164 Cb -0.15 -3.47 0.08 0.00 0.00 0.00 0.00 36.38 32.83 1pwh s VAL 164 CO 0.02 0.57 0.69 -1.48 0.00 0.00 0.00 175.10 174.90 1pwh s LEU 165 N -1.16 -0.59 0.17 3.92 0.05 -0.82 -1.10 118.68 119.14 1pwh s LEU 165 Ca 0.18 0.43 0.01 0.00 0.05 0.00 0.00 54.13 54.80 1pwh s LEU 165 Cb -0.13 2.47 -0.04 0.00 -2.05 0.00 0.00 46.19 46.45 1pwh s LEU 165 CO 0.08 -0.70 0.32 -0.94 -0.55 0.00 0.00 176.35 174.56 1pwh s SER 166 N -1.75 6.36 -0.08 1.48 1.04 -1.26 0.13 113.70 119.61 1pwh s SER 166 Ca -0.06 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.65 1pwh s SER 166 Cb -0.00 -1.95 -0.02 0.00 0.10 0.00 0.00 66.02 64.15 1pwh s SER 166 CO 0.01 0.02 -0.17 -0.69 0.98 0.00 0.00 173.24 173.39 1pwh s VAL 167 N -1.79 2.80 0.00 5.02 1.01 -0.22 -4.79 120.40 122.43 1pwh s VAL 167 Ca 0.36 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1pwh s VAL 167 Cb -0.11 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1pwh s VAL 167 CO 0.29 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.56 1pwh n GLY 168 N 2.93 -0.02 0.00 4.51 0.00 -1.26 -4.78 105.19 106.57 1pwh n GLY 168 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 3.12 -0.30 0.00 -0.02 0.00 -1.26 -4.16 105.19 102.57 1pwh n GLY 169 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.70 0.84 0.14 -0.02 0.00 -1.26 -1.80 105.19 104.79 1pwh n GLY 170 Ca -0.01 0.00 -0.08 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 0.37 1.10 -0.02 0.00 -1.93 0.23 103.07 102.82 1pwh h GLY 171 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1pwh h GLY 171 CO 0.00 0.04 0.14 -2.00 0.00 0.00 0.00 176.54 174.72 1pwh h LEU 172 N 0.24 1.06 -0.41 3.11 5.85 -1.90 -1.05 115.31 122.21 1pwh h LEU 172 Ca 0.13 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1pwh h LEU 172 Cb 0.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1pwh h LEU 172 CO -0.13 1.03 0.24 0.25 -0.34 0.00 0.00 178.44 179.49 1pwh h LEU 173 N 1.04 0.50 -0.72 2.25 6.46 -1.70 -0.61 115.31 122.53 1pwh h LEU 173 Ca 0.21 -0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 1pwh h LEU 173 Cb 0.40 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 1pwh h LEU 173 CO 0.01 0.42 0.21 0.00 -0.62 0.00 0.00 178.44 178.46 1pwh h GLY 175 N 1.06 0.10 1.50 0.00 0.00 -0.84 -2.09 103.07 102.80 1pwh h GLY 175 Ca 0.23 -0.07 -0.29 0.00 0.00 0.00 0.00 47.33 47.20 1pwh h GLY 175 CO -0.00 0.06 -1.29 -2.08 0.00 0.00 0.00 176.54 173.22 1pwh h VAL 176 N 0.08 1.42 -0.05 4.60 2.07 -0.51 -2.01 116.25 121.84 1pwh h VAL 176 Ca 0.01 -2.88 -0.17 0.00 0.82 0.00 0.00 66.70 64.48 1pwh h VAL 176 Cb 0.51 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1pwh h VAL 176 CO 0.04 0.85 -0.72 -0.37 0.02 0.00 0.00 177.57 177.39 1pwh h VAL 177 N 0.12 1.41 -0.31 2.57 -1.51 -1.27 0.26 116.25 117.52 1pwh h VAL 177 Ca -0.17 -2.20 -0.02 0.00 -1.23 0.00 0.00 66.70 63.08 1pwh h VAL 177 Cb 2.00 2.16 -0.01 0.00 -2.13 0.00 0.00 31.29 33.30 1pwh h VAL 177 CO 0.23 0.65 0.10 -0.61 -1.23 0.00 0.00 177.57 176.71 1pwh h GLN 178 N 0.20 0.47 -0.44 5.19 4.15 -1.44 -1.75 115.11 121.50 1pwh h GLN 178 Ca -0.02 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 1pwh h GLN 178 Cb 1.28 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 1pwh h GLN 178 CO 0.12 0.51 0.06 0.78 -1.93 0.00 0.00 178.83 178.37 1pwh h GLY 179 N 0.34 0.78 1.43 2.39 0.00 -1.24 -1.85 103.07 104.93 1pwh h GLY 179 Ca 0.10 -0.53 0.07 0.00 0.00 0.00 0.00 47.33 46.97 1pwh h GLY 179 CO -0.00 0.49 0.23 1.41 0.00 0.00 0.00 176.54 178.66 1pwh h LEU 180 N 0.58 0.11 0.17 3.11 4.07 -0.83 -2.32 115.31 120.21 1pwh h LEU 180 Ca 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1pwh h LEU 180 Cb 0.39 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1pwh h LEU 180 CO 0.01 0.07 -0.08 0.03 -1.08 0.00 0.00 178.44 177.39 1pwh h ARG 181 N 0.13 -0.22 0.00 1.13 3.08 -0.71 0.26 114.38 118.05 1pwh h ARG 181 Ca 0.15 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1pwh h ARG 181 Cb 0.43 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1pwh h ARG 181 CO -0.02 0.13 0.00 -0.85 -1.07 0.00 0.00 179.97 178.16 1pwh n GLU 182 N -4.92 0.53 -0.00 0.04 0.28 -0.75 -1.98 120.64 113.83 1pwh n GLU 182 Ca -0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 56.96 1pwh n GLU 182 Cb 0.23 -1.24 -0.04 0.00 1.43 0.00 0.00 31.44 31.82 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 -0.74 0.00 -0.30 3.84 0.31 -0.89 -5.01 118.33 115.54 1pwh n VAL 183 Ca 0.06 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1pwh n VAL 183 Cb 0.03 0.81 0.00 0.00 -0.91 0.00 0.00 33.84 33.77 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 1.44 0.84 1.76 2.92 0.00 -0.84 -4.98 105.19 106.34 1pwh n GLY 184 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.30 2.21 0.67 1.61 8.01 0.90 -4.75 117.44 123.78 1pwh n TRP 185 Ca 0.00 -2.13 0.05 0.00 -1.31 0.00 0.00 57.50 54.11 1pwh n TRP 185 Cb 0.00 -0.72 0.32 0.00 -2.01 0.00 0.00 31.31 28.90 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 -0.97 0.33 0.00 -0.99 0.00 -1.05 -1.56 120.64 116.40 1pwh n GLU 186 Ca 0.45 0.01 0.10 0.00 0.00 0.00 0.00 57.16 57.72 1pwh n GLU 186 Cb 0.99 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.95 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 -1.02 2.04 -4.64 -1.84 3.85 -1.26 -4.75 116.55 108.93 1pwh n ASP 187 Ca 0.08 -1.52 -0.43 0.00 -0.71 0.00 0.00 54.79 52.21 1pwh n ASP 187 Cb 0.04 0.35 -0.02 0.00 -1.35 0.00 0.00 41.12 40.14 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 -2.05 4.29 0.62 2.12 1.01 -0.60 -4.97 120.40 120.82 1pwh s VAL 188 Ca 0.18 1.50 -0.17 0.00 0.00 0.00 0.00 61.98 63.49 1pwh s VAL 188 Cb 0.16 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1pwh s VAL 188 CO 0.42 -0.38 1.12 -2.16 0.00 0.00 0.00 175.10 174.11 1pwh s PRO 189 N 3.83 3.00 -0.08 2.72 0.04 -1.26 -4.81 135.00 138.44 1pwh s PRO 189 Ca 0.53 1.48 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1pwh s PRO 189 Cb -0.17 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1pwh s PRO 189 CO 0.18 -1.11 -0.14 0.42 0.04 0.00 0.00 177.00 176.39 1pwh s ILE 190 N -2.12 3.04 -0.42 0.56 1.01 -0.10 -1.90 121.20 121.26 1pwh s ILE 190 Ca 0.69 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 1pwh s ILE 190 Cb -0.22 -2.22 0.10 0.00 0.01 0.00 0.00 42.46 40.13 1pwh s ILE 190 CO 0.36 0.56 0.25 -0.63 0.00 0.00 0.00 174.94 175.48 1pwh s ILE 191 N -0.28 3.73 -0.29 2.92 1.01 -0.53 0.48 121.20 128.23 1pwh s ILE 191 Ca 0.02 -1.82 -0.24 0.00 0.00 0.00 0.00 60.65 58.61 1pwh s ILE 191 Cb -0.13 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 38.89 1pwh s ILE 191 CO 0.03 -0.66 0.80 0.00 0.00 0.00 0.00 174.94 175.11 1pwh s ALA 192 N 1.27 3.57 -0.00 9.38 0.00 0.13 -1.95 121.76 134.15 1pwh s ALA 192 Ca 0.06 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1pwh s ALA 192 Cb -0.24 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1pwh s ALA 192 CO -0.02 -1.11 -0.03 -1.64 0.00 0.00 0.00 175.76 172.96 1pwh s MET 193 N 2.93 2.69 0.08 0.00 -1.94 0.12 -0.67 119.30 122.50 1pwh s MET 193 Ca 0.33 -0.65 -0.23 0.00 -1.71 0.00 0.00 55.69 53.43 1pwh s MET 193 Cb -0.14 -2.60 0.06 0.00 2.01 0.00 0.00 34.83 34.16 1pwh s MET 193 CO 0.11 0.62 0.56 -1.83 -0.01 0.00 0.00 175.02 174.47 1pwh s GLU 194 N -1.44 1.13 0.34 2.03 -1.05 -1.08 -1.06 118.70 117.57 1pwh s GLU 194 Ca 0.18 -0.29 -0.10 0.00 -0.15 0.00 0.00 54.97 54.62 1pwh s GLU 194 Cb -0.11 0.52 -0.07 0.00 -0.44 0.00 0.00 34.13 34.03 1pwh s GLU 194 CO 0.08 -0.44 0.67 0.95 0.95 0.00 0.00 175.26 177.48 1pwh s THR 195 N -2.85 4.85 0.10 1.83 -4.23 -1.25 -0.46 115.64 113.64 1pwh s THR 195 Ca -0.03 0.50 -0.31 0.00 -1.18 0.00 0.00 61.69 60.67 1pwh s THR 195 Cb -0.00 -3.70 -0.07 0.00 1.34 0.00 0.00 72.50 70.07 1pwh s THR 195 CO -0.05 -0.35 1.30 0.12 -0.54 0.00 0.00 174.62 175.11 1pwh s PHE 196 N -2.15 3.33 0.00 3.99 2.19 0.05 -2.06 117.98 123.33 1pwh s PHE 196 Ca 0.49 1.12 0.00 0.00 0.33 0.00 0.00 56.93 58.87 1pwh s PHE 196 Cb -0.11 -3.57 0.00 0.00 -1.31 0.00 0.00 43.02 38.04 1pwh s PHE 196 CO 0.27 -1.88 0.00 0.41 1.83 0.00 0.00 175.22 175.85 1pwh n GLY 197 N 3.29 1.54 2.06 13.12 0.00 -1.26 -4.34 105.19 119.60 1pwh n GLY 197 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.65 2.71 -1.88 4.61 0.00 -0.87 -0.52 120.51 123.91 1pwh n ALA 198 Ca 0.00 -2.08 -0.36 0.00 0.00 0.00 0.00 53.44 51.00 1pwh n ALA 198 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.24 2.50 0.20 0.00 1.44 -1.11 -4.55 115.22 113.47 1pwh n HIS 199 Ca -0.02 -2.27 0.05 0.00 -2.01 0.00 0.00 57.72 53.47 1pwh n HIS 199 Cb 0.93 -1.29 0.43 0.00 0.12 0.00 0.00 29.99 30.17 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 3.26 0.00 0.03 4.39 4.64 -1.88 -1.38 113.55 122.61 1pwh h SER 200 Ca 0.52 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.62 1pwh h SER 200 Cb 0.29 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1pwh h SER 200 CO 1.24 0.31 -0.82 0.15 -0.87 0.00 0.00 176.83 176.83 1pwh h PHE 201 N 0.00 0.89 -0.36 4.77 -0.00 -1.89 -2.51 116.94 117.84 1pwh h PHE 201 Ca -0.00 -0.41 -0.13 0.00 -0.00 0.00 0.00 57.97 57.42 1pwh h PHE 201 Cb 0.57 -0.13 -0.01 0.00 -0.00 0.00 0.00 35.95 36.39 1pwh h PHE 201 CO 0.00 1.23 -0.31 1.25 -0.00 0.00 0.00 178.31 180.48 1pwh h HIS 202 N 0.42 0.91 -0.57 0.41 2.76 -1.88 -2.10 115.15 115.10 1pwh h HIS 202 Ca -0.06 -0.24 -0.08 0.00 -2.20 0.00 0.00 60.37 57.80 1pwh h HIS 202 Cb 1.44 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 1pwh h HIS 202 CO 0.08 0.99 0.06 0.00 -1.30 0.00 0.00 177.93 177.75 1pwh h ALA 203 N 0.99 0.76 -0.04 5.26 0.00 -1.26 -1.14 119.26 123.83 1pwh h ALA 203 Ca 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1pwh h ALA 203 Cb 0.84 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1pwh h ALA 203 CO 0.07 0.54 0.02 0.00 0.00 0.00 0.00 179.25 179.88 1pwh h ALA 204 N 0.99 0.06 -0.17 0.00 0.00 -1.28 -1.98 119.26 116.88 1pwh h ALA 204 Ca 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pwh h ALA 204 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1pwh h ALA 204 CO 0.02 -0.35 0.08 0.28 0.00 0.00 0.00 179.25 179.27 1pwh h VAL 205 N -0.10 0.99 -0.69 0.00 2.07 -1.35 0.40 116.25 117.57 1pwh h VAL 205 Ca 0.01 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1pwh h VAL 205 Cb 0.18 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1pwh h VAL 205 CO -0.00 0.03 0.46 0.50 0.02 0.00 0.00 177.57 178.58 1pwh h LYS 206 N 0.17 0.80 -0.02 1.57 1.63 -1.12 -2.82 116.57 116.78 1pwh h LYS 206 Ca 0.07 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1pwh h LYS 206 Cb 0.02 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 1pwh h LYS 206 CO -0.05 0.53 -0.31 0.39 -3.45 0.00 0.00 179.45 176.55 1pwh n GLU 207 N -4.46 1.30 -0.93 1.90 1.02 -0.75 -4.97 120.64 113.75 1pwh n GLU 207 Ca 0.09 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 1pwh n GLU 207 Cb 0.13 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 1.37 0.71 3.26 0.62 0.00 0.10 -4.97 105.19 106.28 1pwh n GLY 208 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.24 0.76 0.19 1.61 0.00 -1.05 -5.01 119.74 116.01 1pwh s LYS 209 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 55.97 55.33 1pwh s LYS 209 Cb 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 37.83 38.07 1pwh s LYS 209 CO 0.00 -0.23 1.40 -0.48 0.00 0.00 0.00 175.35 176.04 1pwh s LEU 210 N -1.70 4.39 0.34 2.77 2.34 -1.26 -4.32 118.68 121.24 1pwh s LEU 210 Ca -0.09 2.49 0.09 0.00 0.06 0.00 0.00 54.13 56.68 1pwh s LEU 210 Cb -0.03 -3.61 -0.06 0.00 -0.56 0.00 0.00 46.19 41.94 1pwh s LEU 210 CO 0.01 -0.64 -0.06 0.68 -1.06 0.00 0.00 176.35 175.28 1pwh s VAL 211 N 0.43 2.40 -0.18 1.48 -7.23 -1.26 -5.00 120.40 111.04 1pwh s VAL 211 Ca 0.61 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1pwh s VAL 211 Cb -0.39 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 33.86 1pwh s VAL 211 CO 0.37 -0.21 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.89 1pwh s THR 212 N -2.57 2.32 -0.19 5.32 2.01 -1.26 -4.44 115.64 116.83 1pwh s THR 212 Ca 0.33 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 1pwh s THR 212 Cb 0.01 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1pwh s THR 212 CO 0.18 0.52 1.47 -0.76 -0.69 0.00 0.00 174.62 175.34 1pwh s LEU 213 N 1.19 4.04 0.40 4.42 1.02 0.13 -4.88 118.68 125.01 1pwh s LEU 213 Ca 0.02 1.67 0.12 0.00 0.02 0.00 0.00 54.13 55.97 1pwh s LEU 213 Cb -0.14 -3.54 0.95 0.00 0.02 0.00 0.00 46.19 43.49 1pwh s LEU 213 CO -0.08 -1.04 1.92 1.55 0.02 0.00 0.00 176.35 178.72 1pwh h PRO 214 N 9.60 0.51 -3.65 1.29 0.13 -1.98 -3.43 132.00 134.47 1pwh h PRO 214 Ca -0.31 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.61 1pwh h PRO 214 Cb 1.13 -0.12 -0.23 0.00 0.13 0.00 0.00 31.00 31.92 1pwh h PRO 214 CO 0.99 0.34 -0.59 0.15 -0.23 0.00 0.00 178.00 178.66 1pwh s LYS 215 N -5.51 0.31 -0.69 0.86 1.02 -1.26 -5.08 119.74 109.39 1pwh s LYS 215 Ca -0.09 -0.29 -0.19 0.00 0.02 0.00 0.00 55.97 55.43 1pwh s LYS 215 Cb 0.21 0.12 0.11 0.00 -0.52 0.00 0.00 37.83 37.76 1pwh s LYS 215 CO 0.77 -0.06 0.83 0.42 -0.92 0.00 0.00 175.35 176.39 1pwh s ILE 216 N -0.93 4.80 -1.82 2.17 -1.09 -1.26 -4.85 121.20 118.22 1pwh s ILE 216 Ca -0.10 -1.15 0.16 0.00 -2.23 0.00 0.00 60.65 57.33 1pwh s ILE 216 Cb -0.06 -4.57 0.49 0.00 -1.58 0.00 0.00 42.46 36.74 1pwh s ILE 216 CO 0.00 -1.24 1.40 1.07 -1.23 0.00 0.00 174.94 174.94 1pwh n THR 217 N 5.44 0.87 -3.44 2.92 5.66 0.32 -4.93 114.28 121.12 1pwh n THR 217 Ca -0.00 -0.75 -0.22 0.00 -3.05 0.00 0.00 64.05 60.02 1pwh n THR 217 Cb 0.44 0.28 -0.01 0.00 -1.55 0.00 0.00 70.33 69.49 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 -0.95 6.13 0.38 1.09 0.15 -1.12 -4.81 113.70 114.57 1pwh s SER 218 Ca 0.36 0.20 0.24 0.00 0.70 0.00 0.00 55.95 57.45 1pwh s SER 218 Cb 0.20 -1.72 0.42 0.00 -1.71 0.00 0.00 66.02 63.21 1pwh s SER 218 CO 0.23 -0.36 1.62 -0.37 1.20 0.00 0.00 173.24 175.55 1pwh h VAL 219 N 0.80 0.00 0.00 4.45 -1.51 -1.91 -3.38 116.25 114.69 1pwh h VAL 219 Ca -0.49 -0.89 -0.69 0.00 -1.23 0.00 0.00 66.70 63.40 1pwh h VAL 219 Cb 1.24 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 32.25 1pwh h VAL 219 CO 0.59 0.00 3.39 0.00 -1.23 0.00 0.00 177.57 180.32 1pwh n ALA 220 N -2.04 6.26 -0.11 5.19 0.00 -1.26 -4.75 120.51 123.80 1pwh n ALA 220 Ca 0.04 -3.74 0.24 0.00 0.00 0.00 0.00 53.44 49.98 1pwh n ALA 220 Cb 0.51 -3.48 0.69 0.00 0.00 0.00 0.00 19.45 17.17 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 5.66 0.04 0.00 0.00 1.79 -1.97 0.12 116.57 122.21 1pwh h LYS 221 Ca 0.68 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 1pwh h LYS 221 Cb 0.51 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1pwh h LYS 221 CO 1.85 0.03 0.00 0.00 -1.08 0.00 0.00 179.45 180.25 1pwh n ALA 222 N -2.66 1.48 0.69 3.86 0.00 -1.26 0.05 120.51 122.66 1pwh n ALA 222 Ca 0.15 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1pwh n ALA 222 Cb 0.78 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.48 1.47 -2.57 0.00 4.32 0.39 -4.73 117.00 114.41 1pwh n LEU 223 Ca 0.03 -0.73 -0.04 0.00 -0.02 0.00 0.00 56.01 55.24 1pwh n LEU 223 Cb 0.11 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.88 1pwh n LEU 223 CO 0.09 0.29 0.97 0.61 -1.22 0.00 0.00 177.39 178.13 1pwh n GLY 224 N 1.15 1.67 3.38 -0.72 0.00 0.11 -4.52 105.19 106.27 1pwh n GLY 224 Ca 0.06 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 3.04 4.93 0.63 1.61 1.01 -1.26 -4.78 120.40 125.59 1pwh s VAL 225 Ca 0.15 -1.00 0.24 0.00 0.00 0.00 0.00 61.98 61.38 1pwh s VAL 225 Cb 0.06 -3.88 0.29 0.00 0.00 0.00 0.00 36.38 32.85 1pwh s VAL 225 CO -0.00 -0.44 1.69 0.78 0.00 0.00 0.00 175.10 177.13 1pwh h ASN 226 N 8.60 0.00 -2.33 3.32 4.21 -1.87 -3.39 115.58 124.13 1pwh h ASN 226 Ca -0.27 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.20 1pwh h ASN 226 Cb 1.11 0.00 -0.25 0.00 -1.12 0.00 0.00 38.32 38.05 1pwh h ASN 226 CO 0.78 0.00 -0.30 0.28 -1.29 0.00 0.00 177.43 176.91 1pwh s THR 227 N -4.29 -0.76 0.71 2.81 -1.32 -1.26 0.22 115.64 111.75 1pwh s THR 227 Ca -0.03 0.11 -0.15 0.00 -1.21 0.00 0.00 61.69 60.41 1pwh s THR 227 Cb 0.10 -0.78 0.03 0.00 -1.51 0.00 0.00 72.50 70.35 1pwh s THR 227 CO 0.34 0.04 1.20 0.68 -2.21 0.00 0.00 174.62 174.68 1pwh s VAL 228 N 2.70 2.40 0.62 5.08 -7.23 -1.26 -4.97 120.40 117.74 1pwh s VAL 228 Ca -0.02 0.20 -0.19 0.00 -1.81 0.00 0.00 61.98 60.16 1pwh s VAL 228 Cb -0.12 -2.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 1pwh s VAL 228 CO -0.15 -0.10 1.27 -0.83 -0.31 0.00 0.00 175.10 174.98 1pwh s GLY 229 N -2.04 2.83 0.32 2.32 0.00 -0.74 -4.88 107.32 105.13 1pwh s GLY 229 Ca 0.74 1.17 0.02 0.00 0.00 0.00 0.00 44.72 46.64 1pwh s GLY 229 CO 0.44 1.59 1.94 0.00 0.00 0.00 0.00 173.10 177.07 1pwh h ALA 230 N 0.78 1.55 -0.36 3.20 0.00 -1.93 -1.55 119.26 120.94 1pwh h ALA 230 Ca -0.51 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1pwh h ALA 230 Cb 1.32 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1pwh h ALA 230 CO 0.54 0.34 -0.02 0.37 0.00 0.00 0.00 179.25 180.49 1pwh h GLN 231 N 0.97 0.57 0.45 0.00 5.75 -1.95 0.70 115.11 121.60 1pwh h GLN 231 Ca 0.35 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.69 1pwh h GLN 231 Cb 0.15 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1pwh h GLN 231 CO -0.12 0.61 -0.22 1.15 -2.65 0.00 0.00 178.83 177.60 1pwh h THR 232 N 0.54 0.55 -0.55 2.39 2.02 -1.58 0.06 112.91 116.34 1pwh h THR 232 Ca 0.11 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1pwh h THR 232 Cb 0.37 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1pwh h THR 232 CO 0.01 0.03 0.35 0.25 0.37 0.00 0.00 175.52 176.53 1pwh h LEU 233 N -0.69 0.59 -0.39 2.58 5.85 -1.25 -2.65 115.31 119.35 1pwh h LEU 233 Ca -0.06 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1pwh h LEU 233 Cb 0.51 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1pwh h LEU 233 CO 0.10 0.42 0.06 0.50 -0.34 0.00 0.00 178.44 179.18 1pwh h LYS 234 N 0.70 0.17 0.00 1.25 3.64 -0.69 -1.31 116.57 120.33 1pwh h LYS 234 Ca 0.21 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1pwh h LYS 234 Cb -0.03 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1pwh h LYS 234 CO -0.07 0.12 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.14 1pwh h LEU 235 N 0.18 0.00 -1.58 5.20 4.07 -0.64 -2.71 115.31 119.82 1pwh h LEU 235 Ca 0.19 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.22 1pwh h LEU 235 Cb 0.23 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.94 1pwh h LEU 235 CO -0.26 0.01 0.39 0.15 -1.08 0.00 0.00 178.44 177.65 1pwh h PHE 236 N 0.00 0.51 -0.01 1.13 3.04 -0.95 -0.65 116.94 120.02 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 0.03 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.37 1pwh h PHE 236 CO 0.00 0.26 -0.27 0.66 -2.02 0.00 0.00 178.31 176.94 1pwh n TYR 237 N -4.48 0.00 -0.03 0.41 4.02 -1.02 -4.11 117.16 111.95 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 0.28 -0.12 -0.13 0.00 -0.02 0.00 0.00 39.34 39.36 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 -0.64 0.83 -4.27 -0.72 1.02 -0.38 -5.00 120.64 111.48 1pwh n GLU 238 Ca 0.12 -0.10 -0.20 0.00 -0.02 0.00 0.00 57.16 56.95 1pwh n GLU 238 Cb 0.35 -1.39 -0.13 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.89 1.36 -0.67 -0.32 2.46 -0.47 -5.07 115.29 109.68 1pwh s HIS 239 Ca -0.07 -0.42 -0.26 0.00 0.47 0.00 0.00 55.06 54.79 1pwh s HIS 239 Cb 0.09 -0.77 -0.04 0.00 -0.13 0.00 0.00 32.58 31.72 1pwh s HIS 239 CO 0.67 0.08 2.00 -1.25 -2.47 0.00 0.00 174.74 173.77 1pwh s PRO 240 N -1.56 2.46 -0.09 2.88 0.04 -1.26 -4.71 135.00 132.75 1pwh s PRO 240 Ca 0.01 0.51 0.04 0.00 0.04 0.00 0.00 61.00 61.60 1pwh s PRO 240 Cb -0.09 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.85 1pwh s PRO 240 CO 0.02 -3.08 -0.23 0.42 0.04 0.00 0.00 177.00 174.17 1pwh s ILE 241 N 10.18 1.95 -0.21 0.56 1.01 -1.26 -0.93 121.20 132.50 1pwh s ILE 241 Ca 0.74 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 1pwh s ILE 241 Cb -0.12 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 1pwh s ILE 241 CO 0.16 0.53 0.18 -0.36 0.00 0.00 0.00 174.94 175.45 1pwh s PHE 242 N 0.37 3.39 -0.38 3.97 0.40 0.18 -4.96 117.98 120.94 1pwh s PHE 242 Ca -0.18 0.36 -0.10 0.00 -0.60 0.00 0.00 56.93 56.41 1pwh s PHE 242 Cb -0.18 -2.25 0.04 0.00 0.51 0.00 0.00 43.02 41.15 1pwh s PHE 242 CO 0.08 0.19 0.20 0.45 0.70 0.00 0.00 175.22 176.85 1pwh s SER 243 N 0.64 5.65 0.12 1.36 0.15 -1.26 0.18 113.70 120.53 1pwh s SER 243 Ca 0.10 -1.15 0.09 0.00 0.70 0.00 0.00 55.95 55.69 1pwh s SER 243 Cb -0.12 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1pwh s SER 243 CO 0.02 -0.42 -0.19 -1.61 1.20 0.00 0.00 173.24 172.24 1pwh s GLU 244 N 1.50 1.73 -0.07 5.44 8.01 0.16 -4.98 118.70 130.48 1pwh s GLU 244 Ca 0.01 -1.20 0.04 0.00 0.01 0.00 0.00 54.97 53.83 1pwh s GLU 244 Cb -0.20 -2.08 0.00 0.00 -4.31 0.00 0.00 34.13 27.54 1pwh s GLU 244 CO 0.05 0.48 -0.18 0.54 0.01 0.00 0.00 175.26 176.16 1pwh s VAL 245 N -1.14 1.53 0.25 2.63 0.11 -1.26 -2.62 120.40 119.90 1pwh s VAL 245 Ca 0.17 -0.73 0.11 0.00 -2.93 0.00 0.00 61.98 58.60 1pwh s VAL 245 Cb -0.10 -1.34 -0.05 0.00 -1.53 0.00 0.00 36.38 33.36 1pwh s VAL 245 CO 0.10 0.44 -0.19 -0.51 -3.33 0.00 0.00 175.10 171.61 1pwh s ILE 246 N 0.33 2.27 0.54 7.04 1.10 0.40 -4.90 121.20 127.97 1pwh s ILE 246 Ca -0.12 -2.33 -0.13 0.00 -0.51 0.00 0.00 60.65 57.56 1pwh s ILE 246 Cb -0.15 -2.21 -0.06 0.00 0.15 0.00 0.00 42.46 40.19 1pwh s ILE 246 CO 0.05 -0.43 0.97 -0.94 -2.11 0.00 0.00 174.94 172.47 1pwh s SER 247 N -3.39 6.46 0.32 4.50 1.04 -1.26 -0.77 113.70 120.59 1pwh s SER 247 Ca 0.27 1.44 0.04 0.00 0.48 0.00 0.00 55.95 58.18 1pwh s SER 247 Cb -0.04 -2.46 0.65 0.00 0.10 0.00 0.00 66.02 64.27 1pwh s SER 247 CO 0.12 -0.66 1.87 0.44 0.98 0.00 0.00 173.24 175.99 1pwh h ASP 248 N 0.49 0.81 -0.13 7.02 3.45 -1.95 -1.06 116.42 125.06 1pwh h ASP 248 Ca -0.46 0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.05 1pwh h ASP 248 Cb 1.19 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 1pwh h ASP 248 CO 0.62 0.45 0.04 1.56 -1.57 0.00 0.00 179.24 180.34 1pwh h GLN 249 N 0.88 0.10 -0.13 3.56 7.50 -1.93 0.18 115.11 125.28 1pwh h GLN 249 Ca 0.44 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.58 1pwh h GLN 249 Cb 0.49 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 1pwh h GLN 249 CO -0.21 0.07 0.03 0.93 -1.50 0.00 0.00 178.83 178.16 1pwh h GLU 250 N 0.11 0.18 -0.03 1.46 5.08 -1.62 0.36 114.58 120.12 1pwh h GLU 250 Ca 0.05 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 1pwh h GLU 250 Cb 0.03 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1pwh h GLU 250 CO -0.06 0.17 -0.77 0.00 -1.00 0.00 0.00 179.01 177.35 1pwh h ALA 251 N 1.86 0.13 -0.14 3.43 0.00 -0.52 -2.16 119.26 121.86 1pwh h ALA 251 Ca 0.05 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 1pwh h ALA 251 Cb 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1pwh h ALA 251 CO -0.00 0.51 -0.55 0.28 0.00 0.00 0.00 179.25 179.49 1pwh h VAL 252 N 0.17 1.34 -0.31 0.00 2.07 -0.53 -2.40 116.25 116.58 1pwh h VAL 252 Ca -0.09 -1.82 -0.06 0.00 0.82 0.00 0.00 66.70 65.55 1pwh h VAL 252 Cb 1.45 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1pwh h VAL 252 CO 0.15 0.55 -0.05 0.74 0.02 0.00 0.00 177.57 178.98 1pwh h THR 253 N 0.31 1.21 -0.35 2.57 2.02 -0.32 -2.21 112.91 116.14 1pwh h THR 253 Ca 0.01 -0.87 -0.14 0.00 0.77 0.00 0.00 66.41 66.18 1pwh h THR 253 Cb 1.06 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1pwh h THR 253 CO 0.09 0.29 -0.35 0.00 0.37 0.00 0.00 175.52 175.92 1pwh h ALA 254 N 1.48 0.71 -0.52 6.16 0.00 -1.03 -1.90 119.26 124.16 1pwh h ALA 254 Ca 0.10 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1pwh h ALA 254 Cb 0.39 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1pwh h ALA 254 CO 0.02 0.66 0.32 0.82 0.00 0.00 0.00 179.25 181.07 1pwh h ILE 255 N 0.67 1.08 -0.42 0.00 2.04 -0.93 0.19 117.51 120.14 1pwh h ILE 255 Ca 0.06 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1pwh h ILE 255 Cb 0.91 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1pwh h ILE 255 CO 0.08 0.12 0.20 -0.08 0.00 0.00 0.00 178.15 178.47 1pwh h GLU 256 N 0.65 0.60 -0.16 2.37 4.81 -1.28 -1.66 114.58 119.91 1pwh h GLU 256 Ca 0.20 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 59.17 1pwh h GLU 256 Cb -0.01 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1pwh h GLU 256 CO -0.08 0.52 -0.62 0.87 -0.73 0.00 0.00 179.01 178.98 1pwh h LYS 257 N 0.54 0.55 -0.33 1.92 1.57 -1.06 -3.25 116.57 116.51 1pwh h LYS 257 Ca 0.14 -0.38 -0.14 0.00 -1.87 0.00 0.00 60.65 58.40 1pwh h LYS 257 Cb 0.12 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1pwh h LYS 257 CO -0.02 1.00 -0.36 0.35 -0.57 0.00 0.00 179.45 179.85 1pwh h PHE 258 N 0.41 1.00 -0.11 -1.35 3.57 -0.46 0.74 116.94 120.74 1pwh h PHE 258 Ca -0.01 -0.31 -0.05 0.00 3.53 0.00 0.00 57.97 61.14 1pwh h PHE 258 Cb 1.18 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1pwh h PHE 258 CO 0.05 1.10 -0.14 -0.24 -2.23 0.00 0.00 178.31 176.85 1pwh h VAL 259 N 0.61 1.17 0.22 1.41 3.04 -1.19 0.21 116.25 121.71 1pwh h VAL 259 Ca 0.05 -0.75 -0.32 0.00 -1.01 0.00 0.00 66.70 64.67 1pwh h VAL 259 Cb 0.95 1.25 0.03 0.00 -2.01 0.00 0.00 31.29 31.50 1pwh h VAL 259 CO 0.09 0.23 -1.43 0.44 -1.01 0.00 0.00 177.57 175.89 1pwh h ASP 260 N 0.16 0.71 -0.16 3.17 3.45 -1.55 -0.90 116.42 121.31 1pwh h ASP 260 Ca 0.03 -0.77 -0.15 0.00 0.43 0.00 0.00 57.03 56.57 1pwh h ASP 260 Cb 0.36 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1pwh h ASP 260 CO 0.02 1.61 -0.49 0.44 -1.57 0.00 0.00 179.24 179.25 1pwh h ASP 261 N 0.12 0.70 0.00 6.45 3.45 -0.51 -3.38 116.42 123.26 1pwh h ASP 261 Ca -0.23 -0.59 0.00 0.00 0.43 0.00 0.00 57.03 56.64 1pwh h ASP 261 Cb 2.11 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 40.68 1pwh h ASP 261 CO 0.25 1.18 -0.07 -0.62 -1.57 0.00 0.00 179.24 178.41 1pwh n GLU 262 N -4.20 1.53 -2.08 3.56 -0.58 0.71 -4.94 120.64 114.64 1pwh n GLU 262 Ca -0.07 -1.50 -0.20 0.00 -0.42 0.00 0.00 57.16 54.97 1pwh n GLU 262 Cb 0.59 -0.96 -0.04 0.00 -0.57 0.00 0.00 31.44 30.46 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 -0.57 -1.55 -4.99 3.49 4.01 -0.34 -4.98 118.16 113.23 1pwh n LYS 263 Ca 0.04 1.08 -0.31 0.00 -0.51 0.00 0.00 58.31 58.61 1pwh n LYS 263 Cb 0.46 -5.61 -0.17 0.00 -0.51 0.00 0.00 35.03 29.20 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 -2.92 1.94 -0.44 -0.18 -1.09 -1.25 -4.98 121.20 112.28 1pwh s ILE 264 Ca 0.00 -0.94 -0.17 0.00 -2.23 0.00 0.00 60.65 57.31 1pwh s ILE 264 Cb 0.00 -1.69 0.04 0.00 -1.58 0.00 0.00 42.46 39.22 1pwh s ILE 264 CO 0.00 0.53 0.46 -0.22 -1.23 0.00 0.00 174.94 174.48 1pwh s LEU 265 N 0.52 5.02 0.39 2.97 2.96 -1.26 -2.97 118.68 126.31 1pwh s LEU 265 Ca -0.15 -0.84 0.08 0.00 -0.22 0.00 0.00 54.13 53.00 1pwh s LEU 265 Cb -0.17 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 1pwh s LEU 265 CO 0.05 -0.64 0.30 0.68 -1.32 0.00 0.00 176.35 175.43 1pwh s VAL 266 N 2.12 2.85 0.55 1.68 -7.23 -1.26 -4.91 120.40 114.20 1pwh s VAL 266 Ca 0.11 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 58.88 1pwh s VAL 266 Cb -0.19 -3.04 0.05 0.00 0.56 0.00 0.00 36.38 33.77 1pwh s VAL 266 CO 0.12 -0.06 0.77 -1.83 -0.31 0.00 0.00 175.10 173.79 1pwh s GLU 267 N -4.04 2.42 0.28 4.82 -1.05 -1.09 -4.86 118.70 115.18 1pwh s GLU 267 Ca 0.44 -1.07 -0.00 0.00 -0.15 0.00 0.00 54.97 54.19 1pwh s GLU 267 Cb -0.03 -2.55 0.64 0.00 -0.44 0.00 0.00 34.13 31.75 1pwh s GLU 267 CO 0.26 -0.77 1.64 -1.35 0.95 0.00 0.00 175.26 176.00 1pwh h PRO 268 N 0.11 0.18 -0.53 -4.83 0.11 -1.88 0.20 132.00 125.37 1pwh h PRO 268 Ca -0.39 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.80 1pwh h PRO 268 Cb 1.29 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1pwh h PRO 268 CO 0.47 0.12 0.36 0.00 -0.21 0.00 0.00 178.00 178.73 1pwh h ALA 269 N 1.76 2.07 0.02 -0.75 0.00 -1.91 -1.14 119.26 119.31 1pwh h ALA 269 Ca 0.52 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.14 1pwh h ALA 269 Cb 1.01 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1pwh h ALA 269 CO -0.66 -0.19 -1.46 0.00 0.00 0.00 0.00 179.25 176.95 1pwh h GLY 271 N 2.98 0.00 1.28 0.00 0.00 0.11 -2.19 103.07 105.26 1pwh h GLY 271 Ca -0.19 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.96 1pwh h GLY 271 CO 0.11 0.00 -0.56 0.00 0.00 0.00 0.00 176.54 176.09 1pwh h ALA 272 N 1.97 0.55 -0.18 3.60 0.00 -1.37 -0.32 119.26 123.51 1pwh h ALA 272 Ca -0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1pwh h ALA 272 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pwh h ALA 272 CO 0.00 0.69 -0.41 0.00 0.00 0.00 0.00 179.25 179.53 1pwh h ALA 273 N 0.79 0.29 -0.63 0.00 0.00 -1.55 -3.12 119.26 115.04 1pwh h ALA 273 Ca 0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1pwh h ALA 273 Cb 1.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1pwh h ALA 273 CO 0.12 0.39 0.39 -0.07 0.00 0.00 0.00 179.25 180.08 1pwh h LEU 274 N 0.25 0.74 -1.87 0.00 3.38 -1.37 -1.54 115.31 114.90 1pwh h LEU 274 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pwh h LEU 274 Cb 1.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1pwh h LEU 274 CO 0.09 0.56 0.29 0.00 0.09 0.00 0.00 178.44 179.47 1pwh h ALA 275 N 1.57 1.27 -0.05 1.53 0.00 -0.98 0.12 119.26 122.71 1pwh h ALA 275 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1pwh h ALA 275 Cb -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pwh h ALA 275 CO -0.04 -0.27 0.04 0.00 0.00 0.00 0.00 179.25 178.97 1pwh h ALA 276 N 1.39 1.99 0.00 0.00 0.00 -1.39 0.51 119.26 121.76 1pwh h ALA 276 Ca 0.00 -0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1pwh h ALA 276 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1pwh h ALA 276 CO 0.00 -0.07 -2.33 1.55 0.00 0.00 0.00 179.25 178.40 1pwh n VAL 277 N -4.43 1.31 -0.33 0.00 3.14 0.36 -1.05 118.33 117.32 1pwh n VAL 277 Ca -0.02 -0.37 -0.03 0.00 -2.96 0.00 0.00 64.34 60.96 1pwh n VAL 277 Cb 0.14 -1.72 0.09 0.00 -1.06 0.00 0.00 33.84 31.29 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 -0.69 1.15 -0.10 1.45 0.99 -1.33 -1.13 116.97 117.31 1pwh h TYR 278 Ca -0.59 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.16 1pwh h TYR 278 Cb 1.58 -0.38 0.00 0.00 1.00 0.00 0.00 36.73 38.93 1pwh h TYR 278 CO -0.06 0.74 0.00 0.43 -0.00 0.00 0.00 178.16 179.27 1pwh n SER 279 N -4.43 1.18 -1.52 3.88 7.64 0.18 -4.94 113.62 115.60 1pwh n SER 279 Ca 0.10 -1.58 -0.13 0.00 1.01 0.00 0.00 58.87 58.26 1pwh n SER 279 Cb 0.03 -0.06 -0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 1.05 -0.17 0.22 0.23 0.00 -0.43 -4.95 105.19 101.15 1pwh n GLY 280 Ca 0.16 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.05 1.26 -0.56 1.61 2.07 -1.26 -2.43 116.25 116.89 1pwh h VAL 281 Ca -0.31 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1pwh h VAL 281 Cb 1.23 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1pwh h VAL 281 CO 0.37 0.34 0.29 -0.37 0.02 0.00 0.00 177.57 178.22 1pwh h VAL 282 N 0.57 1.19 -0.59 2.57 -1.51 -1.70 -1.80 116.25 114.98 1pwh h VAL 282 Ca 0.12 -0.51 -0.01 0.00 -1.23 0.00 0.00 66.70 65.07 1pwh h VAL 282 Cb 0.46 0.51 -0.03 0.00 -2.13 0.00 0.00 31.29 30.10 1pwh h VAL 282 CO 0.02 0.21 0.33 0.00 -1.23 0.00 0.00 177.57 176.90 1pwh h ARG 284 N 0.82 0.94 -0.21 0.00 2.43 -0.99 0.10 114.38 117.47 1pwh h ARG 284 Ca 0.21 -0.36 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 1pwh h ARG 284 Cb 0.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1pwh h ARG 284 CO -0.04 1.02 -0.22 -0.07 -1.51 0.00 0.00 179.97 179.15 1pwh h LEU 285 N 0.83 0.38 -0.07 3.80 3.38 -0.47 0.12 115.31 123.29 1pwh h LEU 285 Ca 0.12 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1pwh h LEU 285 Cb 0.70 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1pwh h LEU 285 CO 0.05 0.62 -0.28 1.56 0.09 0.00 0.00 178.44 180.48 1pwh h GLN 286 N 0.35 0.31 -0.06 1.13 4.20 -0.72 0.12 115.11 120.44 1pwh h GLN 286 Ca 0.06 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1pwh h GLN 286 Cb 0.59 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1pwh h GLN 286 CO 0.04 0.88 -0.06 0.00 -0.67 0.00 0.00 178.83 179.02 1pwh h ALA 287 N 0.43 1.79 -0.00 3.87 0.00 -0.62 0.34 119.26 125.07 1pwh h ALA 287 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pwh h ALA 287 Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1pwh h ALA 287 CO 0.06 0.16 -0.07 0.39 0.00 0.00 0.00 179.25 179.79 1pwh n GLU 288 N -4.41 0.44 -1.19 0.00 1.02 0.01 -4.91 120.64 111.60 1pwh n GLU 288 Ca -0.02 -0.08 -0.06 0.00 -0.02 0.00 0.00 57.16 56.97 1pwh n GLU 288 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 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 -1.21 -0.10 0.19 0.62 0.00 0.12 -4.88 120.51 115.26 1pwh n ALA 289 Ca 0.13 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1pwh n ALA 289 Cb 0.27 -1.03 0.10 0.00 0.00 0.00 0.00 19.45 18.79 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 0.17 0.00 -6.12 0.00 3.08 -1.00 -3.44 114.38 107.07 1pwh h ARG 290 Ca -0.13 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.27 1pwh h ARG 290 Cb 0.56 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.30 1pwh h ARG 290 CO 0.19 0.00 -0.87 -0.51 -1.07 0.00 0.00 179.97 177.71 1pwh s LEU 291 N -5.66 2.03 0.77 3.04 1.43 -0.75 -4.98 118.68 114.56 1pwh s LEU 291 Ca 0.04 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1pwh s LEU 291 Cb 0.08 -1.21 0.06 0.00 0.03 0.00 0.00 46.19 45.14 1pwh s LEU 291 CO 0.73 0.26 1.12 0.00 0.23 0.00 0.00 176.35 178.68 1pwh s GLN 292 N -0.39 2.13 -0.05 1.70 -2.07 -1.26 -4.27 119.66 115.45 1pwh s GLN 292 Ca 0.04 1.34 -0.02 0.00 -1.82 0.00 0.00 55.36 54.90 1pwh s GLN 292 Cb -0.10 -1.87 0.03 0.00 -1.09 0.00 0.00 33.01 29.98 1pwh s GLN 292 CO 0.01 -1.76 0.08 0.99 -1.32 0.00 0.00 175.29 173.29 1pwh s THR 293 N -2.66 -0.14 0.58 3.63 2.01 -1.26 -3.43 115.64 114.37 1pwh s THR 293 Ca 0.64 0.39 -0.18 0.00 0.31 0.00 0.00 61.69 62.85 1pwh s THR 293 Cb -0.20 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1pwh s THR 293 CO 0.52 0.16 1.12 -2.16 -0.69 0.00 0.00 174.62 173.58 1pwh s PRO 294 N 2.08 3.17 -0.11 4.92 0.04 -1.26 -5.16 135.00 138.68 1pwh s PRO 294 Ca 0.03 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 1pwh s PRO 294 Cb -0.12 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1pwh s PRO 294 CO -0.04 -0.98 0.15 -1.17 0.04 0.00 0.00 177.00 175.00 1pwh s LEU 295 N -4.16 4.39 0.65 -3.56 2.96 -1.22 -5.08 118.68 112.66 1pwh s LEU 295 Ca 0.71 0.47 -0.16 0.00 -0.22 0.00 0.00 54.13 54.93 1pwh s LEU 295 Cb -0.23 -2.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.34 1pwh s LEU 295 CO 0.32 0.40 1.13 0.00 -1.32 0.00 0.00 176.35 176.87 1pwh s ALA 296 N -1.06 2.46 -0.24 5.97 0.00 -1.26 -4.72 121.76 122.91 1pwh s ALA 296 Ca 0.16 0.64 -0.42 0.00 0.00 0.00 0.00 51.96 52.34 1pwh s ALA 296 Cb -0.12 -3.35 -0.18 0.00 0.00 0.00 0.00 23.12 19.47 1pwh s ALA 296 CO 0.05 -1.28 1.48 -1.13 0.00 0.00 0.00 175.76 174.88 1pwh n SER 297 N -2.28 1.30 -4.89 0.00 3.41 -1.26 -2.87 113.62 107.03 1pwh n SER 297 Ca 0.11 1.14 -0.32 0.00 -0.26 0.00 0.00 58.87 59.54 1pwh n SER 297 Cb 0.52 -1.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.41 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 2.07 4.28 -0.21 1.04 0.05 -0.31 -1.49 118.68 124.11 1pwh s LEU 298 Ca 0.97 0.63 -0.06 0.00 0.05 0.00 0.00 54.13 55.72 1pwh s LEU 298 Cb -1.25 -3.24 -0.03 0.00 -2.05 0.00 0.00 46.19 39.62 1pwh s LEU 298 CO 0.67 0.08 0.03 -0.69 -0.55 0.00 0.00 176.35 175.88 1pwh s VAL 299 N -1.61 4.21 -0.26 1.48 1.01 -0.05 -0.64 120.40 124.54 1pwh s VAL 299 Ca 0.39 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 1pwh s VAL 299 Cb -0.12 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1pwh s VAL 299 CO 0.23 0.41 0.15 -0.69 0.00 0.00 0.00 175.10 175.20 1pwh s VAL 300 N 0.99 5.08 -0.49 2.92 1.01 0.68 -0.50 120.40 130.09 1pwh s VAL 300 Ca 0.03 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 1pwh s VAL 300 Cb -0.14 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1pwh s VAL 300 CO 0.02 0.30 1.08 -0.63 0.00 0.00 0.00 175.10 175.88 1pwh s ILE 301 N 1.48 4.25 -1.15 2.22 1.01 -0.26 -1.48 121.20 127.27 1pwh s ILE 301 Ca 0.07 0.99 -0.18 0.00 0.00 0.00 0.00 60.65 61.52 1pwh s ILE 301 Cb -0.15 -4.58 0.10 0.00 0.01 0.00 0.00 42.46 37.84 1pwh s ILE 301 CO 0.07 -1.03 1.50 -0.69 0.00 0.00 0.00 174.94 174.80 1pwh s VAL 302 N 4.33 4.39 0.51 2.92 1.01 -0.83 -4.77 120.40 127.95 1pwh s VAL 302 Ca 0.43 -1.76 0.25 0.00 0.00 0.00 0.00 61.98 60.90 1pwh s VAL 302 Cb -0.08 -5.03 0.41 0.00 0.00 0.00 0.00 36.38 31.68 1pwh s VAL 302 CO 0.29 -1.83 1.95 0.00 0.00 0.00 0.00 175.10 175.51 1pwh n GLY 304 N -1.63 1.55 0.00 0.00 0.00 -1.26 -2.24 105.19 101.61 1pwh n GLY 304 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 2.66 0.00 -0.02 0.00 -0.92 -2.65 105.19 104.25 1pwh n GLY 305 Ca 0.00 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 0.88 -3.00 1.61 7.64 -1.26 -4.51 113.62 114.98 1pwh n SER 306 Ca 0.00 -0.61 -0.25 0.00 1.01 0.00 0.00 58.87 59.02 1pwh n SER 306 Cb 0.00 1.25 -0.04 0.00 -1.01 0.00 0.00 64.21 64.40 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 -1.61 6.09 -3.47 6.43 3.02 -1.26 -4.78 115.26 119.67 1pwh n ASN 307 Ca 0.01 -2.39 -0.10 0.00 -0.03 0.00 0.00 54.58 52.07 1pwh n ASN 307 Cb 0.32 -1.25 -0.02 0.00 -0.61 0.00 0.00 39.78 38.21 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 2.57 0.00 0.01 2.41 1.10 -1.26 -4.61 121.20 121.43 1pwh s ILE 308 Ca 0.52 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 60.37 1pwh s ILE 308 Cb 0.16 -1.00 0.11 0.00 0.15 0.00 0.00 42.46 41.88 1pwh s ILE 308 CO -0.04 0.00 1.19 -0.94 -2.11 0.00 0.00 174.94 173.04 1pwh s SER 309 N -2.53 -0.10 0.25 4.50 1.04 -1.26 -4.95 113.70 110.64 1pwh s SER 309 Ca 0.03 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.22 1pwh s SER 309 Cb -0.01 0.25 0.33 0.00 0.10 0.00 0.00 66.02 66.69 1pwh s SER 309 CO -0.10 -0.46 1.88 -0.07 0.98 0.00 0.00 173.24 175.48 1pwh h LEU 310 N 2.00 0.99 0.21 2.42 4.07 -2.02 0.96 115.31 123.94 1pwh h LEU 310 Ca -0.27 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.68 1pwh h LEU 310 Cb 1.21 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1pwh h LEU 310 CO 0.27 0.66 -0.10 0.00 -1.08 0.00 0.00 178.44 178.20 1pwh h ALA 311 N 1.40 -0.28 -0.99 1.53 0.00 -2.00 -2.74 119.26 116.19 1pwh h ALA 311 Ca 0.39 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1pwh h ALA 311 Cb 0.07 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1pwh h ALA 311 CO -0.14 -0.50 0.63 1.96 0.00 0.00 0.00 179.25 181.21 1pwh h GLN 312 N -0.59 1.07 -0.71 0.00 4.20 -1.87 -0.75 115.11 116.46 1pwh h GLN 312 Ca -0.03 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.63 1pwh h GLN 312 Cb 0.44 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1pwh h GLN 312 CO 0.05 0.71 0.46 1.25 -0.67 0.00 0.00 178.83 180.62 1pwh h LEU 313 N 1.10 0.78 -0.52 1.46 7.12 -0.76 0.20 115.31 124.69 1pwh h LEU 313 Ca 0.45 -0.01 -0.15 0.00 0.13 0.00 0.00 57.88 58.30 1pwh h LEU 313 Cb 0.27 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 1pwh h LEU 313 CO -0.20 0.55 -0.40 1.56 -0.13 0.00 0.00 178.44 179.82 1pwh h GLN 314 N 0.92 0.76 -0.86 1.25 1.08 -1.08 -1.46 115.11 115.72 1pwh h GLN 314 Ca 0.27 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1pwh h GLN 314 Cb -0.05 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.35 1pwh h GLN 314 CO -0.08 1.02 0.50 0.00 -0.95 0.00 0.00 178.83 179.32 1pwh h ALA 315 N 0.93 1.26 -0.37 3.87 0.00 -0.55 -0.63 119.26 123.77 1pwh h ALA 315 Ca 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1pwh h ALA 315 Cb 0.95 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1pwh h ALA 315 CO 0.09 0.62 0.05 -0.07 0.00 0.00 0.00 179.25 179.94 1pwh h LEU 316 N 1.19 0.59 -0.64 0.00 4.07 -0.35 -1.09 115.31 119.09 1pwh h LEU 316 Ca 0.31 -0.27 -0.12 0.00 0.08 0.00 0.00 57.88 57.88 1pwh h LEU 316 Cb -0.02 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 1pwh h LEU 316 CO -0.05 0.71 -0.26 0.11 -1.08 0.00 0.00 178.44 177.87 1pwh h LYS 317 N 0.45 0.79 -0.43 1.13 1.57 -0.93 -1.90 116.57 117.25 1pwh h LYS 317 Ca 0.11 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.42 1pwh h LYS 317 Cb 0.37 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1pwh h LYS 317 CO 0.01 0.96 -0.23 0.00 -0.57 0.00 0.00 179.45 179.62 1pwh h ALA 318 N 1.03 0.61 0.00 3.86 0.00 -1.03 0.30 119.26 124.03 1pwh h ALA 318 Ca 0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1pwh h ALA 318 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1pwh h ALA 318 CO 0.06 0.61 -0.28 0.37 0.00 0.00 0.00 179.25 180.01 1pwh h GLN 319 N 0.75 0.00 -0.68 0.00 4.15 -1.08 -2.63 115.11 115.62 1pwh h GLN 319 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1pwh h GLN 319 Cb 0.81 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.50 1pwh h GLN 319 CO 0.07 0.28 0.00 1.28 -1.93 0.00 0.00 178.83 178.53 1pwh n LEU 320 N -3.96 3.88 -2.02 -2.39 4.77 -0.73 -4.95 117.00 111.60 1pwh n LEU 320 Ca -0.02 -1.93 -0.19 0.00 -0.03 0.00 0.00 56.01 53.84 1pwh n LEU 320 Cb 0.35 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1pwh n LEU 320 CO 0.36 0.95 -0.23 0.61 -1.33 0.00 0.00 177.39 177.75 1pwh n GLY 321 N 1.61 0.20 3.71 -0.72 0.00 -0.72 -4.96 105.19 104.33 1pwh n GLY 321 Ca 0.24 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.29 4.38 -0.69 0.99 1.43 0.98 -3.53 118.68 116.96 1pwh s LEU 322 Ca 0.00 1.91 -0.01 0.00 -1.03 0.00 0.00 54.13 55.01 1pwh s LEU 322 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1pwh s LEU 322 CO 0.00 -0.39 0.58 0.59 0.23 0.00 0.00 176.35 177.37 1pwh n ASN 323 N 3.79 -2.47 -3.17 2.29 3.02 -1.26 -4.67 115.26 112.78 1pwh n ASN 323 Ca 0.08 -0.34 0.04 0.00 -0.03 0.00 0.00 54.58 54.32 1pwh n ASN 323 Cb 0.48 -3.11 -0.01 0.00 -0.61 0.00 0.00 39.78 36.53 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 -4.95 0.54 0.15 3.52 2.02 -1.23 -5.13 118.70 113.62 1pwh s GLU 324 Ca 0.06 0.98 -0.34 0.00 0.02 0.00 0.00 54.97 55.69 1pwh s GLU 324 Cb -0.03 0.55 -0.15 0.00 0.10 0.00 0.00 34.13 34.60 1pwh s GLU 324 CO 0.41 -0.57 1.34 1.28 0.02 0.00 0.00 175.26 177.75 1pwh n LEU 325 N 5.43 2.11 0.00 1.80 4.77 -1.26 -4.91 117.00 124.94 1pwh n LEU 325 Ca -0.02 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 1pwh n LEU 325 Cb 0.51 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 1pwh n LEU 325 CO 0.02 -0.89 0.02 -0.11 -1.33 0.00 0.00 177.39 175.10 1pwh n LEU 326 N 2.48 0.00 0.00 2.23 0.00 -1.26 -5.16 117.00 115.28 1pwh n LEU 326 Ca 0.16 0.05 0.00 0.00 0.00 0.00 0.00 56.01 56.22 1pwh n LEU 326 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.66 1pwh n LEU 326 CO 0.62 0.00 0.00 0.29 0.00 0.00 0.00 177.39 178.30