#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pgm s LYS 2 N 0.00 0.57 -0.13 -0.52 3.01 -1.24 -4.42 119.74 117.00 3pgm s LYS 2 Ca 0.00 1.27 0.00 0.00 -1.01 0.00 0.00 55.97 56.23 3pgm s LYS 2 Cb 0.00 0.50 0.02 0.00 -1.01 0.00 0.00 37.83 37.34 3pgm s LYS 2 CO 0.00 -0.19 -0.12 -1.17 0.51 0.00 0.00 175.35 174.38 3pgm s LEU 3 N 2.34 1.52 -0.31 3.17 0.20 -1.26 -4.31 118.68 120.03 3pgm s LEU 3 Ca -0.07 -0.42 -0.04 0.00 0.69 0.00 0.00 54.13 54.29 3pgm s LEU 3 Cb -0.10 -1.05 0.04 0.00 -0.43 0.00 0.00 46.19 44.65 3pgm s LEU 3 CO -0.18 -0.07 0.05 0.68 -0.29 0.00 0.00 176.35 176.54 3pgm s VAL 4 N 1.50 3.42 -0.32 1.68 -7.23 -1.21 -1.79 120.40 116.46 3pgm s VAL 4 Ca 0.04 -1.19 -0.03 0.00 -1.81 0.00 0.00 61.98 58.98 3pgm s VAL 4 Cb -0.13 -2.93 0.05 0.00 0.56 0.00 0.00 36.38 33.94 3pgm s VAL 4 CO -0.09 -0.11 0.05 -0.76 -0.31 0.00 0.00 175.10 173.88 3pgm s LEU 5 N 1.34 4.16 -0.09 1.32 2.01 0.38 -3.18 118.68 124.62 3pgm s LEU 5 Ca -0.03 -1.34 0.02 0.00 0.01 0.00 0.00 54.13 52.80 3pgm s LEU 5 Cb -0.19 -1.76 0.01 0.00 0.01 0.00 0.00 46.19 44.26 3pgm s LEU 5 CO 0.01 -0.31 -0.15 -0.69 1.01 0.00 0.00 176.35 176.22 3pgm s VAL 6 N 1.27 1.41 -0.41 -1.59 1.01 -1.25 -1.00 120.40 119.85 3pgm s VAL 6 Ca -0.03 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 3pgm s VAL 6 Cb -0.20 -1.29 0.07 0.00 0.00 0.00 0.00 36.38 34.96 3pgm s VAL 6 CO -0.01 0.42 0.25 -0.60 0.00 0.00 0.00 175.10 175.16 3pgm s ARG 7 N 0.86 2.67 0.00 2.72 3.52 -1.26 -3.80 118.95 123.67 3pgm s ARG 7 Ca -0.10 -1.36 0.00 0.00 -0.13 0.00 0.00 55.73 54.14 3pgm s ARG 7 Cb -0.15 -3.77 0.00 0.00 -1.56 0.00 0.00 34.95 29.46 3pgm s ARG 7 CO 0.01 -0.89 0.00 -2.39 -0.81 0.00 0.00 175.30 171.22 3pgm n HIS 8 N 4.94 0.00 0.00 5.12 1.44 -1.17 -1.72 115.22 123.83 3pgm n HIS 8 Ca -0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 3pgm n HIS 8 Cb 0.44 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.55 3pgm n HIS 8 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3pgm n GLY 9 N 0.00 1.44 1.10 -1.39 0.00 -1.26 0.19 105.19 105.27 3pgm n GLY 9 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 3pgm n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pgm n GLN 10 N 0.00 0.00 0.00 1.61 10.64 -1.26 -4.68 117.38 123.69 3pgm n GLN 10 Ca 0.00 -1.25 0.00 0.00 -1.83 0.00 0.00 57.00 53.92 3pgm n GLN 10 Cb 0.00 0.24 0.00 0.00 -0.86 0.00 0.00 30.24 29.62 3pgm n GLN 10 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3pgm n SER 11 N 0.17 0.00 0.00 2.61 3.41 -1.26 -4.36 113.62 114.18 3pgm n SER 11 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3pgm n SER 11 Cb 0.83 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 3pgm n SER 11 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3pgm n GLU 12 N 0.00 0.00 0.00 4.33 0.00 -1.26 1.18 120.64 124.89 3pgm n GLU 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3pgm n GLU 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3pgm n GLU 12 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 3pgm n TRP 13 N 0.00 0.00 0.00 4.31 -0.00 -1.26 -4.71 117.44 115.78 3pgm n TRP 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3pgm n TRP 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3pgm n TRP 13 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 3pgm n ASN 14 N 0.00 0.00 0.00 5.87 5.15 -1.26 -3.36 115.26 121.66 3pgm n ASN 14 Ca 0.00 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 3pgm n ASN 14 Cb 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 3pgm n ASN 14 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3pgm n GLU 15 N -0.81 0.00 0.00 1.20 4.71 -1.26 0.51 120.64 124.99 3pgm n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3pgm n GLU 15 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3pgm n GLU 15 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3pgm n LYS 16 N 0.00 0.00 -1.47 3.49 5.02 -1.21 0.55 118.16 124.54 3pgm n LYS 16 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 3pgm n LYS 16 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 3pgm n LYS 16 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3pgm n ASN 17 N -0.07 4.47 -2.07 4.39 2.04 -0.56 -5.06 115.26 118.40 3pgm n ASN 17 Ca 0.00 -3.79 0.00 0.00 -0.44 0.00 0.00 54.58 50.35 3pgm n ASN 17 Cb 0.00 -0.54 0.00 0.00 -2.53 0.00 0.00 39.78 36.71 3pgm n ASN 17 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3pgm n LEU 18 N -0.89 -5.89 0.00 -4.53 4.77 1.90 -4.64 117.00 107.72 3pgm n LEU 18 Ca 0.42 3.26 0.00 0.00 -0.03 0.00 0.00 56.01 59.67 3pgm n LEU 18 Cb 0.91 -3.15 0.00 0.00 -2.33 0.00 0.00 43.42 38.85 3pgm n LEU 18 CO 0.37 -1.57 0.00 0.49 -1.33 0.00 0.00 177.39 175.35 3pgm n PHE 19 N 1.75 0.00 -1.24 -1.77 0.99 -1.08 -3.19 117.46 112.91 3pgm n PHE 19 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 3pgm n PHE 19 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.45 3pgm n PHE 19 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 3pgm n THR 20 N 0.00 0.00 -0.32 4.37 5.66 -1.26 -4.46 114.28 118.26 3pgm n THR 20 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3pgm n THR 20 Cb 0.00 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 3pgm n THR 20 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3pgm n GLY 21 N -2.59 -2.12 0.00 1.09 0.00 -1.26 -4.54 105.19 95.77 3pgm n GLY 21 Ca 0.01 -1.19 0.03 0.00 0.00 0.00 0.00 46.02 44.87 3pgm n GLY 21 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3pgm n TRP 22 N -0.06 0.00 -0.08 1.61 -0.00 -1.26 -3.48 117.44 114.17 3pgm n TRP 22 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.43 3pgm n TRP 22 Cb 0.00 -0.26 -0.00 0.00 -0.00 0.00 0.00 31.31 31.04 3pgm n TRP 22 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 177.69 177.30 3pgm h VAL 23 N 0.00 0.49 -0.73 5.87 -1.51 -1.92 -3.48 116.25 114.98 3pgm h VAL 23 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3pgm h VAL 23 Cb 0.05 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 3pgm h VAL 23 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 177.57 175.67 3pgm n ASP 24 N -5.34 -0.48 -3.10 4.19 2.03 -1.23 -5.00 116.55 107.62 3pgm n ASP 24 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 3pgm n ASP 24 Cb 0.26 -0.24 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 3pgm n ASP 24 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 3pgm n VAL 25 N -0.03 -0.56 0.00 5.18 3.14 -1.26 -4.95 118.33 119.85 3pgm n VAL 25 Ca 0.00 -3.41 0.00 0.00 -2.96 0.00 0.00 64.34 57.97 3pgm n VAL 25 Cb 0.00 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 3pgm n VAL 25 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3pgm n LYS 26 N 1.52 0.00 -3.48 1.45 3.00 -1.26 -4.56 118.16 114.83 3pgm n LYS 26 Ca 0.19 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.35 3pgm n LYS 26 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.54 3pgm n LYS 26 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 3pgm s LEU 27 N 0.00 -0.60 0.00 3.14 2.34 -1.11 -4.17 118.68 118.28 3pgm s LEU 27 Ca 0.00 0.40 0.00 0.00 0.06 0.00 0.00 54.13 54.59 3pgm s LEU 27 Cb 0.00 2.51 0.00 0.00 -0.56 0.00 0.00 46.19 48.14 3pgm s LEU 27 CO 0.00 -0.74 0.00 -1.54 -1.06 0.00 0.00 176.35 173.01 3pgm n SER 28 N 0.36 0.00 0.04 1.48 3.41 9.40 -4.79 113.62 123.52 3pgm n SER 28 Ca -0.17 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.24 3pgm n SER 28 Cb 0.60 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.42 3pgm n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3pgm h ALA 29 N -2.00 -0.02 -1.06 7.33 0.00 -2.00 -3.30 119.26 118.20 3pgm h ALA 29 Ca 0.00 -0.66 0.30 0.00 0.00 0.00 0.00 54.91 54.55 3pgm h ALA 29 Cb 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.75 3pgm h ALA 29 CO 0.00 0.41 0.66 0.87 0.00 0.00 0.00 179.25 181.19 3pgm h LYS 30 N -0.18 0.37 0.00 0.00 1.57 -1.93 -1.47 116.57 114.92 3pgm h LYS 30 Ca -0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3pgm h LYS 30 Cb 1.56 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.78 3pgm h LYS 30 CO 0.15 0.25 0.00 0.41 -0.57 0.00 0.00 179.45 179.69 3pgm n GLY 31 N -1.40 -3.08 0.38 3.86 0.00 -1.24 0.29 105.19 103.99 3pgm n GLY 31 Ca 0.29 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 46.61 3pgm n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3pgm n GLN 32 N -1.40 -0.25 0.00 1.61 6.02 -0.87 0.18 117.38 122.67 3pgm n GLN 32 Ca 0.00 1.51 0.00 0.00 -0.01 0.00 0.00 57.00 58.50 3pgm n GLN 32 Cb 0.00 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 29.02 3pgm n GLN 32 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3pgm n GLN 33 N -5.43 0.00 -0.31 -1.09 7.27 -0.61 0.12 117.38 117.34 3pgm n GLN 33 Ca 0.09 0.28 0.16 0.00 0.07 0.00 0.00 57.00 57.60 3pgm n GLN 33 Cb 0.38 -1.21 0.33 0.00 2.41 0.00 0.00 30.24 32.15 3pgm n GLN 33 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3pgm h GLU 34 N 0.00 0.16 0.43 3.69 4.39 0.47 1.03 114.58 124.75 3pgm h GLU 34 Ca 0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3pgm h GLU 34 Cb 0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3pgm h GLU 34 CO 0.00 0.11 -0.21 0.00 -1.16 0.00 0.00 179.01 177.75 3pgm h ALA 35 N 1.84 -0.58 -0.99 3.43 0.00 0.20 0.33 119.26 123.49 3pgm h ALA 35 Ca 0.60 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.51 3pgm h ALA 35 Cb 1.28 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 3pgm h ALA 35 CO -0.71 -0.76 0.62 0.00 0.00 0.00 0.00 179.25 178.41 3pgm h ALA 36 N -0.20 1.64 0.16 0.00 0.00 0.36 0.86 119.26 122.09 3pgm h ALA 36 Ca -0.06 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3pgm h ALA 36 Cb 0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3pgm h ALA 36 CO 0.10 0.05 -0.21 -0.09 0.00 0.00 0.00 179.25 179.10 3pgm h ARG 37 N 0.85 -0.41 -0.29 0.00 2.43 0.16 0.95 114.38 118.08 3pgm h ARG 37 Ca 0.53 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.74 3pgm h ARG 37 Cb 0.72 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 3pgm h ARG 37 CO -0.31 -0.27 0.15 0.00 -1.51 0.00 0.00 179.97 178.03 3pgm h ALA 38 N 0.34 0.35 -0.91 2.80 0.00 0.17 0.63 119.26 122.64 3pgm h ALA 38 Ca 0.01 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.06 3pgm h ALA 38 Cb 0.42 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 3pgm h ALA 38 CO -0.08 -0.24 0.53 0.78 0.00 0.00 0.00 179.25 180.24 3pgm h GLY 39 N 0.31 1.48 1.00 0.00 0.00 0.11 0.48 103.07 106.46 3pgm h GLY 39 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3pgm h GLY 39 CO -0.07 0.07 0.43 -2.09 0.00 0.00 0.00 176.54 174.88 3pgm h GLU 40 N 0.81 0.90 0.81 4.80 4.81 0.28 -3.24 114.58 123.75 3pgm h GLU 40 Ca 0.47 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.59 3pgm h GLU 40 Cb 0.54 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.73 3pgm h GLU 40 CO -0.30 0.62 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.14 3pgm h LEU 41 N 0.92 -0.92 -0.13 1.64 3.38 0.49 0.16 115.31 120.85 3pgm h LEU 41 Ca 0.25 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.29 3pgm h LEU 41 Cb -0.07 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3pgm h LEU 41 CO -0.05 -0.59 -0.38 -0.07 0.09 0.00 0.00 178.44 177.44 3pgm h LEU 42 N -1.23 -1.19 0.00 1.67 3.38 -1.12 -1.71 115.31 115.10 3pgm h LEU 42 Ca -0.11 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3pgm h LEU 42 Cb 0.83 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3pgm h LEU 42 CO 0.18 -0.40 0.00 2.29 0.09 0.00 0.00 178.44 180.60 3pgm n LYS 43 N -5.43 0.00 -0.16 1.13 2.85 -1.07 -1.74 118.16 113.75 3pgm n LYS 43 Ca -0.04 0.31 -0.05 0.00 -1.05 0.00 0.00 58.31 57.48 3pgm n LYS 43 Cb 0.35 -1.23 -0.04 0.00 -0.65 0.00 0.00 35.03 33.46 3pgm n LYS 43 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 3pgm h GLU 44 N 0.00 -0.03 0.00 -1.58 4.81 -1.03 -1.08 114.58 115.67 3pgm h GLU 44 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3pgm h GLU 44 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3pgm h GLU 44 CO 0.00 -0.02 0.00 1.17 -0.73 0.00 0.00 179.01 179.43 3pgm n LYS 45 N -3.95 0.00 0.00 1.92 4.81 -0.64 -4.93 118.16 115.37 3pgm n LYS 45 Ca 0.00 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 3pgm n LYS 45 Cb 0.12 -0.87 0.00 0.00 0.02 0.00 0.00 35.03 34.30 3pgm n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3pgm n GLY 46 N -0.72 4.19 0.25 3.14 0.00 -0.41 -5.09 105.19 106.55 3pgm n GLY 46 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3pgm n GLY 46 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3pgm n VAL 47 N 0.00 0.00 -3.48 1.61 3.14 -1.23 -2.61 118.33 115.77 3pgm n VAL 47 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3pgm n VAL 47 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3pgm n VAL 47 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3pgm n ASN 48 N -2.05 0.50 -3.59 6.55 3.02 -1.26 -3.64 115.26 114.79 3pgm n ASN 48 Ca 0.00 -0.48 -0.14 0.00 -0.03 0.00 0.00 54.58 53.94 3pgm n ASN 48 Cb 0.26 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.30 3pgm n ASN 48 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3pgm s VAL 49 N -1.09 -0.44 -0.04 2.41 1.01 -1.26 -4.97 120.40 116.02 3pgm s VAL 49 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 3pgm s VAL 49 Cb 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 36.38 35.77 3pgm s VAL 49 CO 0.00 0.02 0.50 -0.07 0.00 0.00 0.00 175.10 175.55 3pgm h LEU 50 N 8.27 -0.34 -8.35 3.92 3.38 -1.89 -3.48 115.31 116.83 3pgm h LEU 50 Ca -0.15 0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.29 3pgm h LEU 50 Cb 1.13 0.09 -0.29 0.00 0.09 0.00 0.00 40.66 41.68 3pgm h LEU 50 CO 0.18 0.05 -0.83 0.68 0.09 0.00 0.00 178.44 178.61 3pgm s VAL 51 N -2.86 1.39 -0.03 1.22 -7.23 0.12 -4.68 120.40 108.34 3pgm s VAL 51 Ca -0.06 -0.81 0.06 0.00 -1.81 0.00 0.00 61.98 59.35 3pgm s VAL 51 Cb 0.01 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 3pgm s VAL 51 CO 0.18 0.34 -0.20 -0.62 -0.31 0.00 0.00 175.10 174.49 3pgm s ASP 52 N -0.55 2.35 -0.02 4.85 2.15 -1.23 0.76 116.67 124.99 3pgm s ASP 52 Ca 0.06 -0.37 0.03 0.00 0.43 0.00 0.00 52.55 52.71 3pgm s ASP 52 Cb -0.07 -0.40 -0.00 0.00 -0.30 0.00 0.00 42.92 42.14 3pgm s ASP 52 CO -0.00 0.22 -0.11 -0.31 -0.17 0.00 0.00 175.17 174.80 3pgm s TYR 53 N -0.30 1.03 -0.02 -5.34 1.51 0.18 0.14 117.35 114.54 3pgm s TYR 53 Ca 0.04 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3pgm s TYR 53 Cb -0.09 -0.69 0.01 0.00 -0.11 0.00 0.00 41.96 41.08 3pgm s TYR 53 CO 0.00 -0.06 -0.05 0.95 -1.11 0.00 0.00 175.55 175.29 3pgm s THR 54 N -0.08 0.44 -0.57 -0.71 -4.23 -0.97 -2.40 115.64 107.11 3pgm s THR 54 Ca 0.01 -0.16 -0.24 0.00 -1.18 0.00 0.00 61.69 60.12 3pgm s THR 54 Cb -0.06 -0.43 -0.22 0.00 1.34 0.00 0.00 72.50 73.14 3pgm s THR 54 CO 0.00 0.16 1.84 -0.24 -0.54 0.00 0.00 174.62 175.84 3pgm n SER 55 N 3.47 2.13 -2.47 3.99 2.88 -0.89 -1.72 113.62 121.00 3pgm n SER 55 Ca -0.19 -2.63 0.00 0.00 -1.33 0.00 0.00 58.87 54.71 3pgm n SER 55 Cb 0.54 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 3pgm n SER 55 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3pgm n LYS 56 N 7.26 -0.59 -3.74 -1.46 5.02 0.22 -4.79 118.16 120.08 3pgm n LYS 56 Ca 0.49 -0.29 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 3pgm n LYS 56 Cb 0.41 0.52 -0.10 0.00 -0.02 0.00 0.00 35.03 35.84 3pgm n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3pgm s LEU 57 N -3.09 0.51 0.14 -0.35 1.43 -1.26 -5.04 118.68 111.01 3pgm s LEU 57 Ca 0.00 0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 53.73 3pgm s LEU 57 Cb 0.00 1.35 0.02 0.00 0.03 0.00 0.00 46.19 47.58 3pgm s LEU 57 CO 0.00 -0.15 1.68 -1.28 0.23 0.00 0.00 176.35 176.84 3pgm h SER 58 N 5.47 0.65 -0.11 2.29 0.87 -1.92 -2.89 113.55 117.91 3pgm h SER 58 Ca -0.27 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.12 3pgm h SER 58 Cb 1.18 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 3pgm h SER 58 CO 0.26 0.66 -0.13 0.03 -0.53 0.00 0.00 176.83 177.12 3pgm h ARG 59 N 0.60 -0.08 -0.46 2.24 3.08 -1.92 -0.37 114.38 117.49 3pgm h ARG 59 Ca 0.15 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.23 3pgm h ARG 59 Cb 0.22 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3pgm h ARG 59 CO -0.01 -0.05 0.25 0.00 -1.07 0.00 0.00 179.97 179.09 3pgm h ALA 60 N -0.98 0.58 -0.49 0.04 0.00 -1.92 -2.84 119.26 113.65 3pgm h ALA 60 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3pgm h ALA 60 Cb 0.13 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 3pgm h ALA 60 CO -0.14 -0.07 -0.09 0.82 0.00 0.00 0.00 179.25 179.76 3pgm h ILE 61 N 0.51 0.54 -0.67 0.00 5.03 -1.26 0.20 117.51 121.86 3pgm h ILE 61 Ca 0.19 -0.01 0.14 0.00 -0.12 0.00 0.00 64.86 65.06 3pgm h ILE 61 Cb 0.05 0.50 -0.12 0.00 -3.03 0.00 0.00 36.82 34.22 3pgm h ILE 61 CO -0.10 0.01 -0.12 1.56 -0.68 0.00 0.00 178.15 178.81 3pgm h GLN 62 N 0.03 0.02 0.25 2.37 4.20 -0.81 1.20 115.11 122.37 3pgm h GLN 62 Ca 0.24 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 3pgm h GLN 62 Cb 0.37 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3pgm h GLN 62 CO -0.48 0.02 -0.19 1.15 -0.67 0.00 0.00 178.83 178.66 3pgm h THR 63 N 0.03 0.60 0.18 -0.54 2.02 -1.03 -2.26 112.91 111.91 3pgm h THR 63 Ca 0.33 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.50 3pgm h THR 63 Cb 0.52 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3pgm h THR 63 CO -0.66 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.14 3pgm h ALA 64 N 0.28 -0.24 -0.83 6.16 0.00 0.33 -2.88 119.26 122.08 3pgm h ALA 64 Ca -0.02 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3pgm h ALA 64 Cb 0.38 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3pgm h ALA 64 CO -0.00 -0.57 0.48 -0.91 0.00 0.00 0.00 179.25 178.25 3pgm h ASN 65 N -0.37 0.71 0.39 0.00 -0.26 0.14 -3.05 115.58 113.13 3pgm h ASN 65 Ca -0.02 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 3pgm h ASN 65 Cb 0.29 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 3pgm h ASN 65 CO 0.04 0.43 -0.19 0.40 -1.06 0.00 0.00 177.43 177.05 3pgm h ILE 66 N 0.84 0.60 -0.86 2.81 2.04 -1.35 -2.79 117.51 118.80 3pgm h ILE 66 Ca 0.39 -0.37 0.22 0.00 1.00 0.00 0.00 64.86 66.09 3pgm h ILE 66 Cb 0.30 0.78 -0.15 0.00 -0.74 0.00 0.00 36.82 37.01 3pgm h ILE 66 CO -0.22 0.07 0.06 0.00 0.00 0.00 0.00 178.15 178.06 3pgm h ALA 67 N -0.23 1.02 -0.47 1.87 0.00 -1.41 0.84 119.26 120.89 3pgm h ALA 67 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3pgm h ALA 67 Cb 0.51 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3pgm h ALA 67 CO 0.09 -0.48 0.30 -0.07 0.00 0.00 0.00 179.25 179.09 3pgm h LEU 68 N 0.10 0.55 -0.94 0.00 -0.00 -1.46 -1.59 115.31 111.96 3pgm h LEU 68 Ca 0.50 -0.03 0.03 0.00 -0.00 0.00 0.00 57.88 58.38 3pgm h LEU 68 Cb 0.97 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 41.44 3pgm h LEU 68 CO -0.75 0.41 0.62 1.05 -0.00 0.00 0.00 178.44 179.78 3pgm h GLU 69 N 0.63 1.19 0.06 1.13 4.11 -0.56 -2.40 114.58 118.74 3pgm h GLU 69 Ca 0.17 -0.07 -0.08 0.00 0.07 0.00 0.00 59.36 59.45 3pgm h GLU 69 Cb -0.05 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 28.94 3pgm h GLU 69 CO -0.04 0.79 -0.35 0.87 0.07 0.00 0.00 179.01 180.35 3pgm h LYS 70 N 1.23 0.13 -0.92 1.06 1.57 -1.24 -3.24 116.57 115.15 3pgm h LYS 70 Ca 0.36 -0.22 0.27 0.00 -1.87 0.00 0.00 60.65 59.19 3pgm h LYS 70 Cb -0.06 0.08 -0.15 0.00 0.08 0.00 0.00 32.23 32.19 3pgm h LYS 70 CO -0.10 1.10 0.31 0.00 -0.57 0.00 0.00 179.45 180.19 3pgm h ALA 71 N 0.05 1.47 0.00 3.86 0.00 -1.30 -3.45 119.26 119.88 3pgm h ALA 71 Ca -0.06 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3pgm h ALA 71 Cb 1.27 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3pgm h ALA 71 CO 0.07 -0.52 0.00 -0.25 0.00 0.00 0.00 179.25 178.55 3pgm n ASP 72 N -5.20 0.00 0.00 0.00 8.00 -1.08 -4.83 116.55 113.43 3pgm n ASP 72 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.75 3pgm n ASP 72 Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 3pgm n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3pgm n ARG 73 N 0.00 0.00 0.00 -1.24 5.12 -0.93 -4.97 116.66 114.64 3pgm n ARG 73 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3pgm n ARG 73 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3pgm n ARG 73 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3pgm n LEU 74 N -0.05 0.00 -4.66 0.55 7.94 -1.23 -4.92 117.00 114.63 3pgm n LEU 74 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 3pgm n LEU 74 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3pgm n LEU 74 CO 0.00 0.00 0.69 -1.66 -1.11 0.00 0.00 177.39 175.31 3pgm s TRP 75 N 0.00 3.38 0.00 1.96 -0.00 -1.26 -4.98 118.94 118.03 3pgm s TRP 75 Ca 0.00 1.28 0.00 0.00 -0.00 0.00 0.00 56.10 57.38 3pgm s TRP 75 Cb 0.00 -3.09 0.00 0.00 -0.00 0.00 0.00 33.47 30.38 3pgm s TRP 75 CO 0.00 -0.34 0.00 1.51 -0.00 0.00 0.00 176.95 178.12 3pgm n ILE 76 N 5.00 0.00 0.11 0.66 3.06 -1.26 -5.09 119.36 121.85 3pgm n ILE 76 Ca 0.07 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.18 3pgm n ILE 76 Cb 0.48 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.59 3pgm n ILE 76 CO 0.00 0.00 0.00 -0.65 -2.50 0.00 0.00 176.55 173.40 3pgm h PRO 77 N 0.00 -0.58 -1.92 9.51 0.10 -1.94 -3.50 132.00 133.68 3pgm h PRO 77 Ca 0.00 0.04 0.00 0.00 0.10 0.00 0.00 66.00 66.14 3pgm h PRO 77 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 31.00 31.23 3pgm h PRO 77 CO 0.00 -0.38 -0.47 1.55 0.10 0.00 0.00 178.00 178.79 3pgm n VAL 78 N -5.44 -3.19 -3.73 3.15 3.14 -1.26 -5.02 118.33 105.97 3pgm n VAL 78 Ca -0.07 1.23 -0.17 0.00 -2.96 0.00 0.00 64.34 62.38 3pgm n VAL 78 Cb 0.36 -1.71 -0.17 0.00 -1.06 0.00 0.00 33.84 31.27 3pgm n VAL 78 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3pgm s ASN 79 N -2.79 0.43 -0.17 6.55 0.01 0.36 -4.93 114.94 114.40 3pgm s ASN 79 Ca 0.00 0.09 -0.03 0.00 -0.71 0.00 0.00 52.86 52.20 3pgm s ASN 79 Cb 0.00 -0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.58 3pgm s ASN 79 CO 0.00 -0.18 -0.05 -0.13 -1.51 0.00 0.00 177.10 175.24 3pgm s ARG 80 N 1.49 3.56 0.17 -0.60 0.52 -1.26 -2.29 118.95 120.53 3pgm s ARG 80 Ca -0.04 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 3pgm s ARG 80 Cb -0.13 -2.91 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 3pgm s ARG 80 CO -0.03 0.12 0.10 -1.13 0.02 0.00 0.00 175.30 174.37 3pgm n SER 81 N 3.89 0.34 -0.07 0.23 3.41 -0.70 -4.92 113.62 115.79 3pgm n SER 81 Ca -0.18 -2.01 0.06 0.00 -0.26 0.00 0.00 58.87 56.49 3pgm n SER 81 Cb 0.52 0.63 0.09 0.00 -0.26 0.00 0.00 64.21 65.19 3pgm n SER 81 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3pgm n TRP 82 N -0.35 0.00 -2.93 7.33 4.27 -1.26 0.70 117.44 125.19 3pgm n TRP 82 Ca 0.01 -0.79 -0.34 0.00 -3.89 0.00 0.00 57.50 52.49 3pgm n TRP 82 Cb 0.28 -0.11 -0.02 0.00 -1.36 0.00 0.00 31.31 30.10 3pgm n TRP 82 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3pgm n ARG 83 N -1.07 4.04 0.00 -2.67 5.12 -1.26 -4.75 116.66 116.07 3pgm n ARG 83 Ca 0.10 -4.73 0.00 0.00 -1.93 0.00 0.00 57.85 51.30 3pgm n ARG 83 Cb 0.53 -2.36 0.00 0.00 -1.16 0.00 0.00 32.46 29.47 3pgm n ARG 83 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3pgm n LEU 84 N 0.24 0.00 -4.31 0.55 4.32 -1.26 -4.58 117.00 111.95 3pgm n LEU 84 Ca 0.35 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 56.14 3pgm n LEU 84 Cb 0.34 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.06 3pgm n LEU 84 CO 0.47 0.00 -0.13 0.20 -1.22 0.00 0.00 177.39 176.71 3pgm s ASN 85 N 0.00 1.75 0.01 -1.43 0.01 -1.26 -2.09 114.94 111.93 3pgm s ASN 85 Ca 0.00 -1.73 -0.26 0.00 -0.71 0.00 0.00 52.86 50.17 3pgm s ASN 85 Cb 0.00 0.54 -0.04 0.00 0.41 0.00 0.00 41.25 42.16 3pgm s ASN 85 CO 0.00 -1.03 0.79 -0.70 -1.51 0.00 0.00 177.10 174.65 3pgm s GLU 86 N -3.53 4.50 -0.49 -0.60 2.56 -1.26 -4.21 118.70 115.66 3pgm s GLU 86 Ca 0.38 1.09 -0.37 0.00 0.00 0.00 0.00 54.97 56.07 3pgm s GLU 86 Cb 0.03 -3.41 -0.15 0.00 2.00 0.00 0.00 34.13 32.60 3pgm s GLU 86 CO 0.25 0.15 2.26 2.89 -0.56 0.00 0.00 175.26 180.24 3pgm n ARG 87 N 3.30 0.58 -1.36 4.30 1.85 -1.26 -4.55 116.66 119.53 3pgm n ARG 87 Ca -0.00 0.14 -0.53 0.00 -1.00 0.00 0.00 57.85 56.45 3pgm n ARG 87 Cb 0.51 -2.09 -0.08 0.00 -1.05 0.00 0.00 32.46 29.75 3pgm n ARG 87 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 3pgm n HIS 88 N 9.58 1.05 -0.08 2.89 -0.00 -1.25 -4.70 115.22 122.71 3pgm n HIS 88 Ca 0.49 0.92 0.00 0.00 -0.00 0.00 0.00 57.72 59.13 3pgm n HIS 88 Cb 0.14 -1.80 0.00 0.00 -0.00 0.00 0.00 29.99 28.33 3pgm n HIS 88 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3pgm n TYR 89 N 2.41 -1.32 0.00 1.57 4.01 -1.26 -3.24 117.16 119.33 3pgm n TYR 89 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 3pgm n TYR 89 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3pgm n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pgm n GLY 90 N 1.21 0.46 0.66 2.72 0.00 -1.25 -4.07 105.19 104.91 3pgm n GLY 90 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3pgm n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pgm n ASP 91 N 0.00 3.05 0.00 1.61 2.03 0.14 -4.28 116.55 119.10 3pgm n ASP 91 Ca 0.00 -2.15 0.00 0.00 0.52 0.00 0.00 54.79 53.16 3pgm n ASP 91 Cb 0.00 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 3pgm n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pgm n LEU 92 N 0.34 0.00 0.00 -2.67 -0.00 -1.26 -4.98 117.00 108.42 3pgm n LEU 92 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 3pgm n LEU 92 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 3pgm n LEU 92 CO 0.09 0.00 0.00 1.67 -0.00 0.00 0.00 177.39 179.15 3pgm n GLN 93 N 0.00 0.00 0.00 1.47 -0.06 -1.26 -4.83 117.38 112.70 3pgm n GLN 93 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3pgm n GLN 93 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3pgm n GLN 93 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3pgm n GLY 94 N 1.22 0.22 6.31 1.69 0.00 -1.26 -4.70 105.19 108.68 3pgm n GLY 94 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3pgm n GLY 94 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3pgm n LYS 95 N 0.00 0.00 0.00 1.61 4.01 -1.26 -2.65 118.16 119.87 3pgm n LYS 95 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3pgm n LYS 95 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3pgm n LYS 95 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3pgm n ASP 96 N 3.46 0.00 -4.04 4.39 2.03 -1.19 -4.66 116.55 116.54 3pgm n ASP 96 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 3pgm n ASP 96 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 3pgm n ASP 96 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3pgm n LYS 97 N 0.00 -2.91 0.00 -0.67 5.02 -1.26 -4.49 118.16 113.85 3pgm n LYS 97 Ca 0.00 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3pgm n LYS 97 Cb 0.00 -4.44 0.00 0.00 -0.02 0.00 0.00 35.03 30.57 3pgm n LYS 97 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pgm n ALA 98 N -4.43 0.98 -0.16 7.82 0.00 -1.26 -4.77 120.51 118.68 3pgm n ALA 98 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 3pgm n ALA 98 Cb 0.67 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.15 3pgm n ALA 98 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3pgm h GLN 99 N 0.00 0.55 0.10 0.00 7.50 -1.84 17.89 115.11 139.31 3pgm h GLN 99 Ca 0.00 -0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.14 3pgm h GLN 99 Cb 0.00 -0.12 -0.05 0.00 0.05 0.00 0.00 27.48 27.36 3pgm h GLN 99 CO 0.00 0.36 -0.40 1.15 -1.50 0.00 0.00 178.83 178.44 3pgm h THR 100 N 0.57 0.18 -0.26 -0.54 2.02 -1.92 5.42 112.91 118.39 3pgm h THR 100 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 3pgm h THR 100 Cb 0.03 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3pgm h THR 100 CO -0.10 0.00 0.15 0.25 0.37 0.00 0.00 175.52 176.20 3pgm h LEU 101 N -0.62 0.31 -0.62 2.58 5.85 -1.55 -1.35 115.31 119.91 3pgm h LEU 101 Ca 0.03 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3pgm h LEU 101 Cb 0.66 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 3pgm h LEU 101 CO -0.25 0.27 0.27 0.50 -0.34 0.00 0.00 178.44 178.90 3pgm h LYS 102 N 0.32 0.48 0.00 1.25 3.64 4.21 0.50 116.57 126.97 3pgm h LYS 102 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3pgm h LYS 102 Cb 0.02 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3pgm h LYS 102 CO -0.02 0.31 0.00 1.63 -2.27 0.00 0.00 179.45 179.11 3pgm n LYS 103 N -4.93 0.00 -0.03 1.90 5.02 1.76 -4.46 118.16 117.43 3pgm n LYS 103 Ca 0.08 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 3pgm n LYS 103 Cb 0.24 -0.72 -0.09 0.00 -0.02 0.00 0.00 35.03 34.44 3pgm n LYS 103 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 3pgm h PHE 104 N 0.00 0.51 -1.45 2.13 0.04 -1.37 -3.50 116.94 113.30 3pgm h PHE 104 Ca 0.00 -0.23 0.10 0.00 2.80 0.00 0.00 57.97 60.64 3pgm h PHE 104 Cb 0.00 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3pgm h PHE 104 CO 0.00 0.99 -0.13 0.41 -0.60 0.00 0.00 178.31 178.98 3pgm n GLY 105 N 0.76 -0.77 3.66 -1.45 0.00 0.17 -4.94 105.19 102.63 3pgm n GLY 105 Ca -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3pgm n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3pgm n GLU 106 N -1.80 0.00 0.17 1.61 4.71 -1.26 -3.89 120.64 120.18 3pgm n GLU 106 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 57.16 57.34 3pgm n GLU 106 Cb 0.17 0.00 0.76 0.00 -1.01 0.00 0.00 31.44 31.35 3pgm n GLU 106 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3pgm h GLU 107 N 0.00 0.00 -0.15 3.49 4.81 -1.96 0.62 114.58 121.39 3pgm h GLU 107 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3pgm h GLU 107 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 3pgm h GLU 107 CO 0.00 0.00 -0.22 0.87 -0.73 0.00 0.00 179.01 178.93 3pgm h LYS 108 N 0.00 -0.26 -0.06 1.92 6.56 -1.93 27.57 116.57 150.37 3pgm h LYS 108 Ca 0.13 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.73 3pgm h LYS 108 Cb 0.97 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.69 3pgm h LYS 108 CO -0.00 -0.17 0.01 0.35 -2.06 0.00 0.00 179.45 177.57 3pgm h PHE 109 N -0.27 0.10 0.24 -1.35 3.57 -1.00 -0.59 116.94 117.65 3pgm h PHE 109 Ca 0.11 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3pgm h PHE 109 Cb 0.43 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3pgm h PHE 109 CO -0.34 0.33 -0.12 -0.91 -2.23 0.00 0.00 178.31 175.04 3pgm h ASN 110 N -0.15 -0.28 0.32 0.41 2.35 -0.97 -3.36 115.58 113.90 3pgm h ASN 110 Ca 0.02 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 3pgm h ASN 110 Cb 0.28 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3pgm h ASN 110 CO 0.00 0.09 -0.15 0.00 -1.65 0.00 0.00 177.43 175.71 3pgm h THR 111 N -0.67 0.66 0.00 2.81 1.03 6.58 -3.44 112.91 119.87 3pgm h THR 111 Ca -0.03 -0.61 0.00 0.00 -0.01 0.00 0.00 66.41 65.76 3pgm h THR 111 Cb 0.47 0.95 0.00 0.00 -1.07 0.00 0.00 68.15 68.50 3pgm h THR 111 CO 0.05 0.11 0.00 -1.22 -0.01 0.00 0.00 175.52 174.46 3pgm n TYR 112 N -5.13 0.00 -0.09 0.00 4.02 -0.23 -2.42 117.16 113.31 3pgm n TYR 112 Ca -0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.77 3pgm n TYR 112 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 3pgm n TYR 112 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 3pgm n ARG 113 N 0.00 0.00 0.00 -0.72 -4.01 -1.26 -4.23 116.66 106.44 3pgm n ARG 113 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 3pgm n ARG 113 Cb 0.00 -0.08 0.00 0.00 -3.04 0.00 0.00 32.46 29.34 3pgm n ARG 113 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 3pgm n ARG 114 N 0.12 0.00 0.02 2.89 1.85 -1.01 -4.94 116.66 115.58 3pgm n ARG 114 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 3pgm n ARG 114 Cb 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.45 3pgm n ARG 114 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3pgm n SER 115 N 0.00 0.20 0.00 2.89 7.64 -1.26 -4.89 113.62 118.20 3pgm n SER 115 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3pgm n SER 115 Cb 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3pgm n SER 115 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3pgm n PHE 116 N -2.74 0.00 -1.34 1.43 1.16 -1.26 -4.78 117.46 109.93 3pgm n PHE 116 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.46 3pgm n PHE 116 Cb 0.00 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.82 3pgm n PHE 116 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3pgm n ASP 117 N 0.00 -5.45 -2.36 5.98 4.64 -1.26 -4.72 116.55 113.39 3pgm n ASP 117 Ca 0.00 0.29 -0.02 0.00 -1.38 0.00 0.00 54.79 53.67 3pgm n ASP 117 Cb 0.00 -3.97 0.07 0.00 -1.04 0.00 0.00 41.12 36.18 3pgm n ASP 117 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3pgm n VAL 118 N -2.31 0.00 -0.25 5.18 0.24 -1.26 -5.15 118.33 114.78 3pgm n VAL 118 Ca -0.12 -0.77 -0.29 0.00 -2.04 0.00 0.00 64.34 61.13 3pgm n VAL 118 Cb 0.56 0.81 0.28 0.00 -1.47 0.00 0.00 33.84 34.01 3pgm n VAL 118 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3pgm n PRO 119 N -0.85 -4.53 -1.05 7.34 -0.01 -1.26 -4.00 135.00 130.64 3pgm n PRO 119 Ca -0.12 -1.38 -0.33 0.00 -0.01 0.00 0.00 63.50 61.66 3pgm n PRO 119 Cb 0.74 -1.85 0.13 0.00 -0.01 0.00 0.00 33.50 32.51 3pgm n PRO 119 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 3pgm n PRO 120 N -5.33 0.09 -0.76 0.52 -0.01 -1.26 -4.67 135.00 123.58 3pgm n PRO 120 Ca 0.13 0.11 -0.33 0.00 -0.01 0.00 0.00 63.50 63.40 3pgm n PRO 120 Cb 0.57 -2.37 0.14 0.00 -0.01 0.00 0.00 33.50 31.82 3pgm n PRO 120 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 3pgm n PRO 121 N -3.18 -0.68 0.00 0.52 -0.01 -1.26 -4.50 135.00 125.88 3pgm n PRO 121 Ca 0.13 -0.17 0.00 0.00 -0.01 0.00 0.00 63.50 63.45 3pgm n PRO 121 Cb 0.51 -1.81 0.00 0.00 -0.01 0.00 0.00 33.50 32.19 3pgm n PRO 121 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 3pgm n PRO 122 N -1.79 0.00 0.00 0.52 -0.01 -1.26 0.24 135.00 132.70 3pgm n PRO 122 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.54 3pgm n PRO 122 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.05 3pgm n PRO 122 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 175.50 177.00 3pgm n ILE 123 N 0.00 0.00 -2.76 4.25 0.00 -1.26 -2.33 119.36 117.25 3pgm n ILE 123 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 62.75 62.55 3pgm n ILE 123 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 39.64 39.68 3pgm n ILE 123 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 3pgm s ASP 124 N 0.00 5.20 -0.60 9.51 3.84 -1.26 -4.90 116.67 128.45 3pgm s ASP 124 Ca 0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 52.55 52.27 3pgm s ASP 124 Cb 0.00 -0.55 0.33 0.00 -1.38 0.00 0.00 42.92 41.32 3pgm s ASP 124 CO 0.00 -1.19 2.12 0.00 -0.00 0.00 0.00 175.17 176.10 3pgm n ALA 125 N -2.29 6.13 -2.72 2.11 0.00 -1.26 -4.20 120.51 118.27 3pgm n ALA 125 Ca 0.10 -3.16 -0.09 0.00 0.00 0.00 0.00 53.44 50.29 3pgm n ALA 125 Cb 0.60 -1.78 0.08 0.00 0.00 0.00 0.00 19.45 18.35 3pgm n ALA 125 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3pgm n SER 126 N -0.36 -0.72 -3.43 0.00 3.41 -1.26 -5.05 113.62 106.22 3pgm n SER 126 Ca 0.52 -2.72 0.01 0.00 -0.26 0.00 0.00 58.87 56.43 3pgm n SER 126 Cb 0.54 0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.99 3pgm n SER 126 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3pgm s SER 127 N -1.90 -1.25 0.00 4.04 1.04 -1.26 -5.02 113.70 109.35 3pgm s SER 127 Ca 0.25 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.94 3pgm s SER 127 Cb 0.40 2.24 0.00 0.00 0.10 0.00 0.00 66.02 68.76 3pgm s SER 127 CO -0.04 -0.24 0.65 -2.65 0.98 0.00 0.00 173.24 171.94 3pgm n PRO 128 N 5.44 0.00 -2.57 4.02 -0.01 -1.26 -2.38 135.00 138.23 3pgm n PRO 128 Ca -0.07 0.17 -0.34 0.00 -0.01 0.00 0.00 63.50 63.25 3pgm n PRO 128 Cb 0.50 -1.52 0.00 0.00 -0.01 0.00 0.00 33.50 32.48 3pgm n PRO 128 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 175.50 176.68 3pgm n PHE 129 N -1.15 3.30 -2.17 6.00 0.99 -1.26 -4.89 117.46 118.28 3pgm n PHE 129 Ca 0.00 -3.03 0.00 0.00 -0.00 0.00 0.00 57.45 54.42 3pgm n PHE 129 Cb 0.02 -0.81 0.00 0.00 -1.00 0.00 0.00 39.48 37.68 3pgm n PHE 129 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3pgm n SER 130 N -0.27 0.29 0.00 4.37 2.88 -1.00 -4.94 113.62 114.94 3pgm n SER 130 Ca 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 3pgm n SER 130 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 3pgm n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3pgm n GLN 131 N 0.00 0.00 0.00 -1.46 0.00 -1.26 -4.53 117.38 110.13 3pgm n GLN 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3pgm n GLN 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3pgm n GLN 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3pgm n LYS 132 N 0.00 0.00 -2.50 2.61 3.00 -1.26 -4.88 118.16 115.13 3pgm n LYS 132 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 3pgm n LYS 132 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 3pgm n LYS 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3pgm n GLY 133 N 4.88 4.48 3.51 3.14 0.00 -1.26 -4.77 105.19 115.18 3pgm n GLY 133 Ca 0.00 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.66 3pgm n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pgm n ASP 134 N -0.40 0.81 0.00 1.61 4.64 -1.26 -4.58 116.55 117.37 3pgm n ASP 134 Ca 0.29 -1.47 0.00 0.00 -1.38 0.00 0.00 54.79 52.22 3pgm n ASP 134 Cb 0.75 -1.38 0.00 0.00 -1.04 0.00 0.00 41.12 39.46 3pgm n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3pgm n GLU 135 N 7.74 0.00 0.00 -0.67 1.02 -1.26 -3.77 120.64 123.70 3pgm n GLU 135 Ca 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 3pgm n GLU 135 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 3pgm n GLU 135 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3pgm n ARG 136 N 7.80 0.00 0.00 3.49 1.85 -1.26 -2.39 116.66 126.14 3pgm n ARG 136 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3pgm n ARG 136 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3pgm n ARG 136 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3pgm n TYR 137 N 0.00 0.00 -1.43 2.89 0.53 -1.25 -1.36 117.16 116.55 3pgm n TYR 137 Ca 0.00 0.00 -0.34 0.00 -1.02 0.00 0.00 57.90 56.54 3pgm n TYR 137 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 39.34 38.37 3pgm n TYR 137 CO 0.00 0.00 0.00 0.36 -1.02 0.00 0.00 176.86 176.20 3pgm n LYS 138 N -1.03 2.61 -1.12 -0.72 2.85 -1.01 -3.52 118.16 116.22 3pgm n LYS 138 Ca 0.00 -3.15 0.05 0.00 -1.05 0.00 0.00 58.31 54.16 3pgm n LYS 138 Cb 0.00 -2.22 0.09 0.00 -0.65 0.00 0.00 35.03 32.26 3pgm n LYS 138 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3pgm n TYR 139 N -0.66 0.00 -3.76 5.58 4.02 -0.47 -5.00 117.16 116.88 3pgm n TYR 139 Ca 0.57 -0.89 -0.12 0.00 -0.01 0.00 0.00 57.90 57.45 3pgm n TYR 139 Cb 0.55 -0.19 -0.12 0.00 -0.02 0.00 0.00 39.34 39.56 3pgm n TYR 139 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3pgm s VAL 140 N -1.29 -0.02 -0.45 -0.72 1.01 -1.23 -5.09 120.40 112.61 3pgm s VAL 140 Ca 0.35 0.07 -0.41 0.00 0.00 0.00 0.00 61.98 61.99 3pgm s VAL 140 Cb 0.38 -0.37 -0.18 0.00 0.00 0.00 0.00 36.38 36.21 3pgm s VAL 140 CO -0.13 0.03 1.70 0.47 0.00 0.00 0.00 175.10 177.18 3pgm n ASP 141 N 3.56 0.86 0.11 3.32 10.43 -1.26 -4.58 116.55 128.99 3pgm n ASP 141 Ca -0.19 0.82 0.18 0.00 2.57 0.00 0.00 54.79 58.17 3pgm n ASP 141 Cb 0.56 -0.80 0.74 0.00 1.84 0.00 0.00 41.12 43.45 3pgm n ASP 141 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 3pgm h PRO 142 N 6.46 0.00 -2.18 -0.24 0.10 -1.95 -0.97 132.00 133.22 3pgm h PRO 142 Ca -0.23 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.84 3pgm h PRO 142 Cb 1.26 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.35 3pgm h PRO 142 CO 0.94 0.00 0.02 0.09 0.10 0.00 0.00 178.00 179.15 3pgm n ASN 143 N -4.13 2.63 0.00 -2.05 3.02 -1.26 -4.13 115.26 109.34 3pgm n ASN 143 Ca 0.05 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.80 3pgm n ASN 143 Cb 0.45 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3pgm n ASN 143 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3pgm n VAL 144 N 2.11 0.00 0.00 2.41 0.31 -0.37 -5.06 118.33 117.73 3pgm n VAL 144 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3pgm n VAL 144 Cb 0.32 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 3pgm n VAL 144 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3pgm n LEU 145 N 0.00 0.00 0.00 7.52 4.32 -1.26 -4.69 117.00 122.89 3pgm n LEU 145 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3pgm n LEU 145 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3pgm n LEU 145 CO 0.00 0.00 0.00 -2.65 -1.22 0.00 0.00 177.39 173.52 3pgm n PRO 146 N 0.07 0.00 -3.24 3.23 -0.01 -1.26 -5.10 135.00 128.69 3pgm n PRO 146 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 3pgm n PRO 146 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.49 3pgm n PRO 146 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 3pgm n GLU 147 N 0.00 -0.34 -0.13 -0.52 0.28 -1.26 -5.09 120.64 113.58 3pgm n GLU 147 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 3pgm n GLU 147 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3pgm n GLU 147 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3pgm n THR 148 N 2.18 0.00 -3.65 3.84 -1.04 -1.24 -4.86 114.28 109.50 3pgm n THR 148 Ca 0.00 -0.06 -0.11 0.00 -2.04 0.00 0.00 64.05 61.84 3pgm n THR 148 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 3pgm n THR 148 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3pgm s GLU 149 N -0.24 0.69 0.41 -2.82 2.12 -1.20 -4.93 118.70 112.73 3pgm s GLU 149 Ca 0.05 1.02 0.07 0.00 0.36 0.00 0.00 54.97 56.48 3pgm s GLU 149 Cb -0.03 0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.54 3pgm s GLU 149 CO 0.10 -0.12 0.19 0.45 -0.54 0.00 0.00 175.26 175.33 3pgm s SER 150 N 1.01 4.47 0.00 -1.70 0.15 -1.26 -3.84 113.70 112.53 3pgm s SER 150 Ca -0.05 -1.03 0.27 0.00 0.70 0.00 0.00 55.95 55.83 3pgm s SER 150 Cb -0.05 -0.50 1.51 0.00 -1.71 0.00 0.00 66.02 65.27 3pgm s SER 150 CO -0.09 -0.52 1.98 -0.11 1.20 0.00 0.00 173.24 175.69 3pgm n LEU 151 N -1.24 0.20 0.00 3.45 0.00 -1.26 -1.97 117.00 116.18 3pgm n LEU 151 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 56.01 55.93 3pgm n LEU 151 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 43.42 44.06 3pgm n LEU 151 CO 0.45 0.04 0.00 0.00 0.00 0.00 0.00 177.39 177.88 3pgm n ALA 152 N -0.77 0.00 -0.24 1.96 0.00 -1.26 -2.84 120.51 117.35 3pgm n ALA 152 Ca 0.20 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.74 3pgm n ALA 152 Cb 0.12 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.98 3pgm n ALA 152 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 3pgm h LEU 153 N 0.00 0.59 -1.51 0.00 -0.00 -1.97 2.28 115.31 114.70 3pgm h LEU 153 Ca 0.00 0.03 0.35 0.00 -0.00 0.00 0.00 57.88 58.27 3pgm h LEU 153 Cb 0.00 -0.08 -0.10 0.00 -0.00 0.00 0.00 40.66 40.48 3pgm h LEU 153 CO 0.00 0.30 0.80 0.58 -0.00 0.00 0.00 178.44 180.12 3pgm h VAL 154 N 0.62 0.34 -1.01 0.15 2.07 -1.53 1.61 116.25 118.50 3pgm h VAL 154 Ca 0.42 -0.07 0.23 0.00 0.82 0.00 0.00 66.70 68.10 3pgm h VAL 154 Cb 0.74 0.12 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 3pgm h VAL 154 CO -0.18 0.04 0.61 -0.29 0.02 0.00 0.00 177.57 177.77 3pgm h ILE 155 N 0.20 0.61 -0.18 4.57 -0.00 0.40 -0.67 117.51 122.44 3pgm h ILE 155 Ca 0.68 -0.21 -0.06 0.00 -0.00 0.00 0.00 64.86 65.27 3pgm h ILE 155 Cb 2.11 -0.06 -0.00 0.00 -0.00 0.00 0.00 36.82 38.86 3pgm h ILE 155 CO -0.28 0.11 -0.13 0.44 -0.00 0.00 0.00 178.15 178.29 3pgm h ASP 156 N 0.62 0.42 -0.94 2.19 3.32 0.23 0.65 116.42 122.92 3pgm h ASP 156 Ca 0.60 -0.45 0.20 0.00 0.02 0.00 0.00 57.03 57.40 3pgm h ASP 156 Cb 1.14 -0.12 -0.11 0.00 0.22 0.00 0.00 39.33 40.46 3pgm h ASP 156 CO -0.40 0.78 0.50 0.03 -1.72 0.00 0.00 179.24 178.44 3pgm h ARG 157 N 0.07 0.57 -0.04 3.56 3.08 -1.03 -0.93 114.38 119.64 3pgm h ARG 157 Ca 0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3pgm h ARG 157 Cb 0.65 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3pgm h ARG 157 CO 0.04 0.38 -0.05 1.25 -1.07 0.00 0.00 179.97 180.51 3pgm h LEU 158 N 0.58 0.12 0.33 3.04 5.85 -0.89 -3.38 115.31 120.96 3pgm h LEU 158 Ca 0.56 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3pgm h LEU 158 Cb 0.96 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3pgm h LEU 158 CO -0.44 0.60 -0.32 0.25 -0.34 0.00 0.00 178.44 178.19 3pgm h LEU 159 N -0.36 -0.88 0.63 2.25 5.85 0.17 -1.38 115.31 121.59 3pgm h LEU 159 Ca 0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3pgm h LEU 159 Cb 0.57 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3pgm h LEU 159 CO 0.01 -0.43 -0.50 -0.65 -0.34 0.00 0.00 178.44 176.54 3pgm h PRO 160 N -0.65 -1.05 -0.83 5.25 0.10 -1.64 -2.34 132.00 130.83 3pgm h PRO 160 Ca -0.04 0.07 0.01 0.00 0.10 0.00 0.00 66.00 66.14 3pgm h PRO 160 Cb 0.56 0.24 -0.04 0.00 0.10 0.00 0.00 31.00 31.86 3pgm h PRO 160 CO -0.04 -0.70 0.55 -0.92 0.10 0.00 0.00 178.00 176.99 3pgm h TYR 161 N -1.09 1.04 0.09 0.65 3.20 -1.74 0.75 116.97 119.87 3pgm h TYR 161 Ca -0.08 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.83 3pgm h TYR 161 Cb 0.91 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 3pgm h TYR 161 CO -0.19 0.66 -0.45 2.35 -1.64 0.00 0.00 178.16 178.89 3pgm h TRP 162 N 1.12 -1.28 -0.20 -3.82 2.91 -0.90 0.27 115.95 114.06 3pgm h TRP 162 Ca 0.30 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.28 3pgm h TRP 162 Cb -0.13 0.55 -0.00 0.00 -0.51 0.00 0.00 29.16 29.07 3pgm h TRP 162 CO -0.01 -0.54 -0.19 -0.56 -1.03 0.00 0.00 178.44 176.11 3pgm h GLN 163 N -0.67 0.48 0.00 2.65 3.07 -1.39 0.36 115.11 119.62 3pgm h GLN 163 Ca 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 58.51 3pgm h GLN 163 Cb 0.70 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.27 3pgm h GLN 163 CO -0.27 0.83 0.00 -0.25 0.09 0.00 0.00 178.83 179.22 3pgm n ASP 164 N -4.45 0.00 0.00 0.06 9.92 0.25 -3.84 116.55 118.49 3pgm n ASP 164 Ca -0.05 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 3pgm n ASP 164 Cb 0.40 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 3pgm n ASP 164 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3pgm n VAL 165 N -0.16 0.00 0.27 2.53 0.31 0.92 -3.16 118.33 119.04 3pgm n VAL 165 Ca 0.00 0.77 -0.15 0.00 -0.01 0.00 0.00 64.34 64.94 3pgm n VAL 165 Cb 0.00 -1.51 -0.08 0.00 -0.91 0.00 0.00 33.84 31.34 3pgm n VAL 165 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3pgm h ILE 166 N 0.00 0.00 -0.36 2.52 -0.00 -1.68 0.17 117.51 118.16 3pgm h ILE 166 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 64.86 64.97 3pgm h ILE 166 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.82 36.81 3pgm h ILE 166 CO 0.00 0.00 0.83 0.00 -0.00 0.00 0.00 178.15 178.98 3pgm n ALA 167 N -2.70 0.35 0.19 0.18 0.00 0.13 0.87 120.51 119.53 3pgm n ALA 167 Ca -0.11 0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 3pgm n ALA 167 Cb 0.39 -0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 3pgm n ALA 167 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3pgm h LYS 168 N 0.00 -0.48 -0.11 0.00 3.64 -0.61 -3.37 116.57 115.65 3pgm h LYS 168 Ca 0.17 0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.39 3pgm h LYS 168 Cb 1.84 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 3pgm h LYS 168 CO -0.00 -0.32 -0.74 -0.07 -2.27 0.00 0.00 179.45 176.05 3pgm h LEU 169 N -0.65 0.64 0.00 5.20 4.07 0.43 -3.36 115.31 121.65 3pgm h LEU 169 Ca -0.05 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3pgm h LEU 169 Cb 0.38 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3pgm h LEU 169 CO 0.08 1.18 0.08 0.55 -1.08 0.00 0.00 178.44 179.25 3pgm n VAL 170 N -3.88 0.00 0.86 1.22 3.14 -0.80 0.02 118.33 118.89 3pgm n VAL 170 Ca -0.05 0.08 0.01 0.00 -2.96 0.00 0.00 64.34 61.42 3pgm n VAL 170 Cb 0.72 -0.64 0.05 0.00 -1.06 0.00 0.00 33.84 32.91 3pgm n VAL 170 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3pgm n GLY 171 N -0.36 -0.43 0.00 7.55 0.00 -1.26 -4.60 105.19 106.09 3pgm n GLY 171 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3pgm n GLY 171 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3pgm n LYS 172 N -0.56 0.00 -4.14 1.61 2.85 0.10 -5.07 118.16 112.96 3pgm n LYS 172 Ca 0.01 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.93 3pgm n LYS 172 Cb 0.01 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.28 3pgm n LYS 172 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3pgm s THR 173 N -0.00 4.44 -0.03 0.58 2.01 -1.26 -4.11 115.64 117.26 3pgm s THR 173 Ca 0.00 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.66 3pgm s THR 173 Cb 0.00 -2.98 0.03 0.00 0.01 0.00 0.00 72.50 69.56 3pgm s THR 173 CO 0.00 0.47 0.38 -0.94 -0.69 0.00 0.00 174.62 173.84 3pgm s SER 174 N 0.41 -0.30 -0.04 3.53 1.04 -1.25 0.14 113.70 117.23 3pgm s SER 174 Ca 0.00 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.71 3pgm s SER 174 Cb -0.13 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.42 3pgm s SER 174 CO 0.01 -0.45 -0.02 0.00 0.98 0.00 0.00 173.24 173.77 3pgm s MET 175 N -1.15 0.57 -0.39 4.02 0.23 3.88 -3.82 119.30 122.65 3pgm s MET 175 Ca -0.12 -0.00 0.03 0.00 -1.03 0.00 0.00 55.69 54.57 3pgm s MET 175 Cb -0.04 -0.70 0.11 0.00 -1.53 0.00 0.00 34.83 32.67 3pgm s MET 175 CO 0.05 -0.13 0.12 0.96 -2.03 0.00 0.00 175.02 174.00 3pgm s ILE 176 N 1.07 2.07 0.00 3.16 -0.00 -1.19 0.48 121.20 126.78 3pgm s ILE 176 Ca -0.09 -2.46 0.00 0.00 -0.00 0.00 0.00 60.65 58.10 3pgm s ILE 176 Cb -0.14 -2.50 0.00 0.00 -0.00 0.00 0.00 42.46 39.82 3pgm s ILE 176 CO -0.01 -0.68 0.29 0.00 -0.00 0.00 0.00 174.94 174.54 3pgm n ALA 177 N 4.01 0.00 -0.68 2.27 0.00 -1.01 -4.36 120.51 120.73 3pgm n ALA 177 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3pgm n ALA 177 Cb 0.39 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3pgm n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pgm n ALA 178 N -1.62 0.00 0.00 0.00 0.00 -1.25 -3.76 120.51 113.88 3pgm n ALA 178 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3pgm n ALA 178 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3pgm n ALA 178 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3pgm n HIS 179 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -3.06 115.22 110.90 3pgm n HIS 179 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3pgm n HIS 179 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3pgm n HIS 179 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3pgm n GLY 180 N -0.93 1.86 0.00 1.57 0.00 -1.26 -3.36 105.19 103.07 3pgm n GLY 180 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3pgm n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pgm n ASN 181 N 3.92 1.37 -0.03 1.61 3.02 -1.26 -4.62 115.26 119.26 3pgm n ASN 181 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 3pgm n ASN 181 Cb 0.00 0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 3pgm n ASN 181 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3pgm h SER 182 N 0.00 -1.00 -0.77 6.41 4.64 -1.72 2.60 113.55 123.71 3pgm h SER 182 Ca 0.00 0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.49 3pgm h SER 182 Cb 0.28 0.44 -0.04 0.00 -0.31 0.00 0.00 62.40 62.77 3pgm h SER 182 CO 0.00 -0.34 0.51 -0.07 -0.87 0.00 0.00 176.83 176.06 3pgm h LEU 183 N -0.34 0.87 -0.49 5.97 -0.00 -1.86 1.77 115.31 121.23 3pgm h LEU 183 Ca 0.12 -0.02 0.08 0.00 -0.00 0.00 0.00 57.88 58.05 3pgm h LEU 183 Cb 0.53 -0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 40.92 3pgm h LEU 183 CO -0.40 0.63 0.13 0.03 -0.00 0.00 0.00 178.44 178.83 3pgm h ARG 184 N 1.03 0.27 -0.22 1.13 3.08 -1.32 -0.67 114.38 117.69 3pgm h ARG 184 Ca 0.28 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.36 3pgm h ARG 184 Cb -0.11 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 3pgm h ARG 184 CO -0.07 0.18 -0.01 0.78 -1.07 0.00 0.00 179.97 179.78 3pgm h GLY 185 N 0.28 0.20 0.68 0.04 0.00 0.83 2.55 103.07 107.64 3pgm h GLY 185 Ca 0.24 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.63 3pgm h GLY 185 CO -0.28 -0.05 -0.12 1.41 0.00 0.00 0.00 176.54 177.50 3pgm h LEU 186 N 0.05 -0.35 0.02 3.11 3.38 0.33 -2.56 115.31 119.28 3pgm h LEU 186 Ca 0.10 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3pgm h LEU 186 Cb 0.14 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3pgm h LEU 186 CO -0.19 -0.17 -0.01 -0.37 0.09 0.00 0.00 178.44 177.80 3pgm h VAL 187 N -0.19 1.43 -0.79 1.22 -1.51 -0.80 -2.73 116.25 112.88 3pgm h VAL 187 Ca 0.05 -1.38 0.09 0.00 -1.23 0.00 0.00 66.70 64.23 3pgm h VAL 187 Cb 0.26 2.35 -0.12 0.00 -2.13 0.00 0.00 31.29 31.65 3pgm h VAL 187 CO -0.13 0.35 -0.51 0.50 -1.23 0.00 0.00 177.57 176.55 3pgm h LYS 188 N -0.62 -0.12 -0.49 5.19 3.11 0.45 1.61 116.57 125.69 3pgm h LYS 188 Ca -0.00 0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.80 3pgm h LYS 188 Cb 0.59 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.83 3pgm h LYS 188 CO 0.00 -0.08 0.12 1.25 -2.81 0.00 0.00 179.45 177.93 3pgm h HIS 189 N -0.13 0.82 -0.02 1.91 2.76 -1.59 -3.30 115.15 115.60 3pgm h HIS 189 Ca 0.19 -0.10 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 3pgm h HIS 189 Cb 0.52 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 3pgm h HIS 189 CO -0.87 0.73 -0.17 1.25 -1.30 0.00 0.00 177.93 177.57 3pgm h LEU 190 N 0.66 -0.51 0.00 0.26 5.85 0.45 -3.43 115.31 118.59 3pgm h LEU 190 Ca 0.15 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3pgm h LEU 190 Cb 0.33 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3pgm h LEU 190 CO 0.00 -0.23 0.00 -0.62 -0.34 0.00 0.00 178.44 177.25 3pgm n GLU 191 N -5.31 0.36 0.00 1.25 1.02 0.49 -4.86 120.64 113.59 3pgm n GLU 191 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3pgm n GLU 191 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 3pgm n GLU 191 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3pgm n GLY 192 N 5.00 -0.21 3.07 0.62 0.00 -1.26 -5.01 105.19 107.41 3pgm n GLY 192 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3pgm n GLY 192 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3pgm n ILE 193 N -1.88 0.00 0.00 -0.61 -0.00 -1.26 -4.73 119.36 110.87 3pgm n ILE 193 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3pgm n ILE 193 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 3pgm n ILE 193 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 3pgm n SER 194 N -1.55 0.00 0.00 7.28 2.88 -1.26 -4.81 113.62 116.16 3pgm n SER 194 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3pgm n SER 194 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3pgm n SER 194 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3pgm n ASP 195 N 0.00 0.00 0.03 -3.46 10.43 -1.26 -4.16 116.55 118.13 3pgm n ASP 195 Ca 0.00 0.00 0.12 0.00 2.57 0.00 0.00 54.79 57.48 3pgm n ASP 195 Cb 0.00 0.00 0.11 0.00 1.84 0.00 0.00 41.12 43.07 3pgm n ASP 195 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3pgm n ALA 196 N 0.00 3.27 -1.00 2.24 0.00 -1.26 -4.74 120.51 119.02 3pgm n ALA 196 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3pgm n ALA 196 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3pgm n ALA 196 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3pgm n ASP 197 N -1.94 0.00 0.00 0.00 2.03 -1.26 -4.37 116.55 111.01 3pgm n ASP 197 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 3pgm n ASP 197 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 3pgm n ASP 197 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3pgm n ILE 198 N 0.00 0.00 -0.32 5.18 -5.35 -1.26 -4.03 119.36 113.58 3pgm n ILE 198 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3pgm n ILE 198 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3pgm n ILE 198 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3pgm n ALA 199 N 0.00 0.01 0.00 -1.28 0.00 -1.26 -1.42 120.51 116.56 3pgm n ALA 199 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3pgm n ALA 199 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3pgm n ALA 199 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3pgm n LYS 200 N 1.14 0.00 -2.98 0.00 2.85 -1.26 -5.10 118.16 112.81 3pgm n LYS 200 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 3pgm n LYS 200 Cb 0.08 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.44 3pgm n LYS 200 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3pgm n LEU 201 N 0.00 -2.27 -0.31 -5.58 7.99 -0.51 -5.02 117.00 111.30 3pgm n LEU 201 Ca 0.00 -3.52 0.13 0.00 -0.01 0.00 0.00 56.01 52.61 3pgm n LEU 201 Cb 0.00 0.70 0.36 0.00 -0.11 0.00 0.00 43.42 44.37 3pgm n LEU 201 CO 0.00 1.93 1.22 0.78 -1.51 0.00 0.00 177.39 179.80 3pgm h ASN 202 N 5.03 0.70 -2.80 -1.43 4.21 -1.92 -3.48 115.58 115.88 3pgm h ASN 202 Ca 0.10 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.68 3pgm h ASN 202 Cb 1.03 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 3pgm h ASN 202 CO 0.18 0.31 0.00 -0.38 -1.29 0.00 0.00 177.43 176.25 3pgm n ILE 203 N -4.63 -0.70 -1.95 2.81 2.08 -1.26 -4.73 119.36 110.98 3pgm n ILE 203 Ca 0.20 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 63.08 3pgm n ILE 203 Cb 0.53 -0.70 -0.03 0.00 -0.75 0.00 0.00 39.64 38.70 3pgm n ILE 203 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3pgm s PRO 204 N -4.31 3.38 0.28 0.38 0.05 -1.26 -4.95 135.00 128.57 3pgm s PRO 204 Ca 0.00 1.58 -0.05 0.00 0.05 0.00 0.00 61.00 62.58 3pgm s PRO 204 Cb 0.00 -4.20 0.07 0.00 0.05 0.00 0.00 34.50 30.42 3pgm s PRO 204 CO 0.00 -1.80 0.17 -0.35 0.05 0.00 0.00 177.00 175.07 3pgm n PRO 205 N 8.37 -2.43 0.00 0.56 -0.05 -1.17 -4.22 135.00 136.06 3pgm n PRO 205 Ca 0.23 -0.29 0.00 0.00 -0.05 0.00 0.00 63.50 63.40 3pgm n PRO 205 Cb 0.46 -0.36 0.00 0.00 -0.05 0.00 0.00 33.50 33.55 3pgm n PRO 205 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3pgm n GLY 206 N -0.85 0.78 2.53 0.55 0.00 0.50 -4.80 105.19 103.90 3pgm n GLY 206 Ca 0.03 0.51 -0.06 0.00 0.00 0.00 0.00 46.02 46.50 3pgm n GLY 206 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3pgm n THR 207 N 0.00 0.00 -3.91 2.61 -2.24 -1.25 -3.90 114.28 105.59 3pgm n THR 207 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 3pgm n THR 207 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 3pgm n THR 207 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3pgm s ILE 208 N -1.81 0.13 0.03 2.28 -0.00 -1.26 -4.48 121.20 116.09 3pgm s ILE 208 Ca 0.05 -1.11 -0.00 0.00 -0.00 0.00 0.00 60.65 59.60 3pgm s ILE 208 Cb 0.02 -1.01 -0.03 0.00 -0.00 0.00 0.00 42.46 41.44 3pgm s ILE 208 CO 0.10 -0.61 -0.03 -1.48 -0.00 0.00 0.00 174.94 172.91 3pgm s LEU 209 N -2.28 2.32 -0.02 0.37 0.05 -0.17 -3.92 118.68 115.03 3pgm s LEU 209 Ca -0.03 -0.67 0.04 0.00 0.05 0.00 0.00 54.13 53.53 3pgm s LEU 209 Cb 0.00 0.10 -0.01 0.00 -2.05 0.00 0.00 46.19 44.24 3pgm s LEU 209 CO -0.06 -0.39 -0.15 0.68 -0.55 0.00 0.00 176.35 175.88 3pgm s VAL 210 N -2.26 1.21 -0.23 1.48 -7.23 -1.04 0.14 120.40 112.48 3pgm s VAL 210 Ca -0.08 -0.64 -0.18 0.00 -1.81 0.00 0.00 61.98 59.27 3pgm s VAL 210 Cb -0.04 -1.02 -0.15 0.00 0.56 0.00 0.00 36.38 35.73 3pgm s VAL 210 CO -0.04 0.35 -0.05 0.49 -0.31 0.00 0.00 175.10 175.53 3pgm n PHE 211 N 2.83 0.58 0.00 2.82 3.01 -0.74 -2.93 117.46 123.02 3pgm n PHE 211 Ca -0.15 0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.56 3pgm n PHE 211 Cb 0.54 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 3pgm n PHE 211 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3pgm n GLU 212 N -4.37 0.00 0.00 -1.08 4.07 -1.26 -4.45 120.64 113.54 3pgm n GLU 212 Ca -0.39 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.71 3pgm n GLU 212 Cb 0.73 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.11 3pgm n GLU 212 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3pgm n LEU 213 N 0.00 0.00 0.00 4.31 4.77 -1.26 1.10 117.00 125.92 3pgm n LEU 213 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3pgm n LEU 213 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3pgm n LEU 213 CO 0.00 -0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.16 3pgm n ASP 214 N -3.68 0.00 0.00 -1.43 5.68 -1.26 -3.85 116.55 112.01 3pgm n ASP 214 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3pgm n ASP 214 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3pgm n ASP 214 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pgm n GLU 215 N -0.72 0.00 -0.37 0.11 1.02 -1.26 0.19 120.64 119.60 3pgm n GLU 215 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 3pgm n GLU 215 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 3pgm n GLU 215 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3pgm n ASN 216 N 0.00 3.61 -2.42 1.62 3.02 -1.26 -4.80 115.26 115.03 3pgm n ASN 216 Ca 0.00 -1.97 -0.13 0.00 -0.03 0.00 0.00 54.58 52.44 3pgm n ASN 216 Cb 0.00 -0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 38.36 3pgm n ASN 216 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3pgm n LEU 217 N 1.76 -0.26 -4.63 3.41 4.77 0.50 -4.90 117.00 117.65 3pgm n LEU 217 Ca 0.03 -0.38 -0.37 0.00 -0.03 0.00 0.00 56.01 55.27 3pgm n LEU 217 Cb 0.37 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.83 3pgm n LEU 217 CO 0.02 0.03 -0.19 -0.54 -1.33 0.00 0.00 177.39 175.38 3pgm s LYS 218 N -3.02 4.01 -0.62 3.23 1.02 -1.25 -4.85 119.74 118.26 3pgm s LYS 218 Ca 0.26 -0.30 -0.26 0.00 0.02 0.00 0.00 55.97 55.70 3pgm s LYS 218 Cb -0.15 -3.51 -0.10 0.00 -0.52 0.00 0.00 37.83 33.54 3pgm s LYS 218 CO 0.32 0.02 2.42 -2.30 -0.92 0.00 0.00 175.35 174.90 3pgm n PRO 219 N 4.39 0.82 0.00 -1.68 -0.01 -1.26 -4.32 135.00 132.93 3pgm n PRO 219 Ca -0.15 -0.33 0.00 0.00 -0.01 0.00 0.00 63.50 63.01 3pgm n PRO 219 Cb 0.52 -3.47 0.00 0.00 -0.01 0.00 0.00 33.50 30.54 3pgm n PRO 219 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 3pgm n SER 220 N 16.76 0.00 -4.67 2.55 3.41 -1.26 -4.71 113.62 125.70 3pgm n SER 220 Ca 0.42 0.02 -0.46 0.00 -0.26 0.00 0.00 58.87 58.58 3pgm n SER 220 Cb 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 3pgm n SER 220 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3pgm n LYS 221 N -0.03 2.14 0.00 4.33 3.00 -1.26 -4.96 118.16 121.38 3pgm n LYS 221 Ca 0.00 0.77 0.00 0.00 -0.00 0.00 0.00 58.31 59.08 3pgm n LYS 221 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 35.03 32.48 3pgm n LYS 221 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3pgm n PRO 222 N 3.73 2.12 -4.58 1.64 -0.01 -1.26 -4.50 135.00 132.14 3pgm n PRO 222 Ca 0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 63.50 63.33 3pgm n PRO 222 Cb 0.29 0.00 -0.14 0.00 -0.01 0.00 0.00 33.50 33.63 3pgm n PRO 222 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 3pgm s SER 223 N -2.21 3.99 -0.16 2.55 1.04 -1.26 -4.56 113.70 113.09 3pgm s SER 223 Ca 0.00 -0.36 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 3pgm s SER 223 Cb 0.00 -1.62 -0.02 0.00 0.10 0.00 0.00 66.02 64.48 3pgm s SER 223 CO 0.00 0.12 -0.05 -0.31 0.98 0.00 0.00 173.24 173.97 3pgm s TYR 224 N 0.62 2.97 -0.29 5.02 4.12 -1.15 -5.00 117.35 123.65 3pgm s TYR 224 Ca -0.07 -0.45 0.11 0.00 0.02 0.00 0.00 57.07 56.68 3pgm s TYR 224 Cb -0.15 -1.96 0.71 0.00 -1.52 0.00 0.00 41.96 39.04 3pgm s TYR 224 CO 0.03 -0.14 1.72 0.66 0.02 0.00 0.00 175.55 177.84 3pgm n TYR 225 N 3.72 2.09 0.00 2.71 0.53 -1.26 -2.76 117.16 122.19 3pgm n TYR 225 Ca -0.18 -1.13 0.00 0.00 -1.02 0.00 0.00 57.90 55.57 3pgm n TYR 225 Cb 0.52 -0.60 0.00 0.00 -1.03 0.00 0.00 39.34 38.23 3pgm n TYR 225 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 3pgm n LEU 226 N -0.19 0.00 -3.93 7.72 7.99 -1.25 -4.00 117.00 123.34 3pgm n LEU 226 Ca 0.36 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 56.07 3pgm n LEU 226 Cb 1.27 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 44.46 3pgm n LEU 226 CO 0.36 0.00 -0.02 -0.62 -1.51 0.00 0.00 177.39 175.61 3pgm s ASP 227 N 0.00 4.88 0.56 -1.43 3.68 -1.26 -4.91 116.67 118.19 3pgm s ASP 227 Ca 0.00 -3.72 0.25 0.00 2.13 0.00 0.00 52.55 51.21 3pgm s ASP 227 Cb 0.00 -1.67 1.52 0.00 -1.45 0.00 0.00 42.92 41.32 3pgm s ASP 227 CO 0.00 -0.12 2.11 -0.65 0.13 0.00 0.00 175.17 176.65 3pgm h PRO 228 N 5.63 0.00 -2.12 4.34 0.10 -1.99 0.78 132.00 138.74 3pgm h PRO 228 Ca 0.11 0.00 -0.79 0.00 0.10 0.00 0.00 66.00 65.43 3pgm h PRO 228 Cb 0.78 0.00 -0.27 0.00 0.10 0.00 0.00 31.00 31.61 3pgm h PRO 228 CO 0.73 0.00 1.02 0.39 0.10 0.00 0.00 178.00 180.24 3pgm n GLU 229 N -4.13 4.10 0.00 1.05 1.02 -1.26 -5.06 120.64 116.36 3pgm n GLU 229 Ca 0.01 -4.11 0.00 0.00 -0.02 0.00 0.00 57.16 53.04 3pgm n GLU 229 Cb 0.28 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 3pgm n GLU 229 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31